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ADP-ribosylation factor-like protein 1

GTP-binding protein that recruits several effectors, such as golgins, arfaptins and Arf-GEFs to the trans-Golgi network, and modulates their functions at the Golgi complex^1,2,3,4,5,6. Plays thereby a role in a wide range of fundamental cellular processes, including cell polarity, innate immunity, or protein secretion mediated by arfaptins, which were shown to play a role in maintaining insulin secretion from pancreatic beta cells⁷.

AlphaFold DB , UniProt , Accession P40616, Species HUMAN (Homo sapiens, Human), Gene ARL1, Length 181 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	46.2	Very low	51.8	Low	251 Å²	251	120.7 Å²	120.7	100%	1.236	71%	0.705	S	S	*	*				0	74.2	0	-74.1	-110.7	-91	0	0	109.3
2	G	51.1	Low	51.7	Low	82 Å²	82	119.9 Å²	119.9	85%	0.845	69%	0.694	S	S	*	*			trans	-149.1	39.7	-167.1	0	0	0	0	0	115.5
3	G	52.9	Low	51.8	Low	63 Å²	63	114.4 Å²	114.4	65%	0.649	66%	0.657	S	S	*	*	S	Bend	trans	-134.8	3.6	-171.8	0	0	0	0	0	117.8
4	F	56.8	Low	52	Low	181 Å²	181	109.2 Å²	109.2	79%	0.794	64%	0.641	S	S	*	*	S	Bend	trans	-112.3	3.1	-169.6	-87.1	-83.1	0	0	0	116.1
5	F	53.8	Low	52.4	Low	166 Å²	166	109.6 Å²	109.6	73%	0.728	65%	0.645	S	S	*	*	S	Bend	trans	-91.5	-13.1	-173.4	-74.8	-73.9	0	0	0	115.7
6	S	53.3	Low	53.6	Low	101 Å²	101	111.8 Å²	111.8	71%	0.706	64%	0.639	S	S	*	*	H	α-helix	trans	-75.5	-29.7	-174.9	60.2	0	0	0	0	114.1
7	S	51.4	Low	55.5	Low	75 Å²	75	110.1 Å²	110.1	52%	0.524	62%	0.624	S	S	.	*	H	α-helix	trans	-81.6	-22.6	-175.9	61.8	0	0	0	0	114.3	S10	S7-S10 PolarHBondContact O-OG 3.22Å; S7-S10 VanDerWaalsContact O-OG 3.07Å
8	I	52.8	Low	57.6	Low	102 Å²	102	104.3 Å²	104.3	52%	0.523	59%	0.591	S	S	.	*	H	α-helix	trans	-77.3	-34.9	178.3	-65.9	178.6	0	0	0	110.8	S10 S11	I8-S10 VanDerWaalsContact C-N 3.34Å; I8-S10 PolarHBondContact O-N 2.86Å; I8-S11 PolarHBondContact O-N 3.15Å; I8-S11 PolarHBondContact O-OG 3.08Å
9	F	50.6	Low	59.7	Low	155 Å²	155	100.9 Å²	100.9	68%	0.68	57%	0.568	S	S	*	*	H	α-helix	trans	-69.1	-31.4	178.3	-95.4	-85.9	0	0	0	113.2	S11 F13	F9-S11 VanDerWaalsContact C-N 3.3Å; F9-S11 PolarHBondContact O-N 3.31Å; F9-F13 PolarHBondContact O-N 3.47Å
10	S	50.3	Low	61.6	Low	74 Å²	74	95.9 Å²	95.9	52%	0.517	54%	0.54	S	S	.	.	H	α-helix	trans	-72.2	-21.5	178.2	63.6	0	0	0	0	113.5	S7 I8 F13	S7-S10 PolarHBondContact O-OG 3.22Å; S7-S10 VanDerWaalsContact O-OG 3.07Å; I8-S10 VanDerWaalsContact C-N 3.34Å; I8-S10 PolarHBondContact O-N 2.86Å; S10-F13 WeakPolarHBondContact O-CB 3.31Å
11	S	50.5	Low	63.4	Low	78 Å²	78	91.3 Å²	91.3	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-81	-35.9	178.3	80.1	0	0	0	0	112.7	I8 F9 F13 G14	I8-S11 PolarHBondContact O-N 3.15Å; I8-S11 PolarHBondContact O-OG 3.08Å; F9-S11 VanDerWaalsContact C-N 3.3Å; F9-S11 PolarHBondContact O-N 3.31Å; S11-F13 PolarHBondContact O-N 3.38Å; S11-G14 PolarHBondContact O-N 3.47Å; S11-G14 VanDerWaalsContact O-N 3.15Å
12	L	50.8	Low	65.9	Low	111 Å²	111	79.4 Å²	79.4	58%	0.581	46%	0.455	S	S	*	.	H	α-helix	trans	-63	-31.8	172.6	-78.6	169	0	0	0	111.7	G14 T15	L12-G14 PolarHBondContact O-N 3.11Å; L12-T15 PolarHBondContact O-N 3.11Å; L12-T15 PolarHBondContact O-OG1 3.08Å
13	F	52.9	Low	68.1	Low	48 Å²	48	75.5 Å²	75.5	21%	0.211	42%	0.415	C	S	.	.	H	α-helix	trans	-61.5	-30	175.4	-172.3	-99.4	0	0	0	113.3	F9 S10 S11 T15 L61 K178	F9-F13 PolarHBondContact O-N 3.47Å; S10-F13 WeakPolarHBondContact O-CB 3.31Å; S11-F13 PolarHBondContact O-N 3.38Å; F13-T15 PolarHBondContact O-N 2.99Å; F13-T15 VanDerWaalsContact O-N 3.1Å; F13-L61 HydrophobicContact CD1-CD2 4.08Å; F13-L61 HydrophobicContact CE1-CD1 4.2Å; F13-L61 HydrophobicContact CE1-CD2 3.35Å; F13-L61 HydrophobicContact CE1-CG 4.01Å; F13-L61 HydrophobicContact CZ-CD1 4.34Å; F13-L61 HydrophobicContact CZ-CD2 3.86Å; F13-K178 HydrophobicContact CE1-CD 4.3Å; F13-K178 VanDerWaalsContact CE1-CE 3.48Å; F13-K178 HydrophobicContact CE1-CG 3.92Å; F13-K178 HydrophobicContact CE2-CG 4.19Å; F13-K178 HydrophobicContact CZ-CD 4.27Å; F13-K178 HydrophobicContact CZ-CG 3.4Å
14	G	54	Low	70.3	Confident	42 Å²	42	72.5 Å²	72.5	43%	0.433	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-2.1	-177.8	0	0	0	0	0	115.5	S11 L12	S11-G14 PolarHBondContact O-N 3.47Å; S11-G14 VanDerWaalsContact O-N 3.15Å; L12-G14 PolarHBondContact O-N 3.11Å
15	T	57.9	Low	72.3	Confident	115 Å²	115	64.2 Å²	64.2	71%	0.706	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-21.7	-171.1	60.5	0	0	0	0	115.1	L12 F13 E17	L12-T15 PolarHBondContact O-N 3.11Å; L12-T15 PolarHBondContact O-OG1 3.08Å; F13-T15 PolarHBondContact O-N 2.99Å; F13-T15 VanDerWaalsContact O-N 3.1Å; T15-E17 PolarHBondContact O-N 3.25Å
16	R	72.2	Confident	74.4	Confident	145 Å²	145	58.4 Å²	58.4	55%	0.547	33%	0.325	S	S	.	.			trans	-84.3	108.8	-179.1	-174.9	173.4	168.2	-180	-7.1	110.1	M18 D86	R16-M18 PolarHBondContact O-N 3.41Å; R16-D86 IonicContact NH2-OD1 3.22Å; R16-D86 PolarHBondContact NH2-OD1 3.27Å
17	E	86.4	Confident	76.5	Confident	83 Å²	83	56.1 Å²	56.1	39%	0.388	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-63	125.6	166.2	-169	176.6	-164.2	0	0	109	T15 K62 Q64	T15-E17 PolarHBondContact O-N 3.25Å; E17-K62 WeakPolarHBondContact CA-O 3.39Å; E17-K62 HydrophobicContact CG-CB 4.47Å; E17-Q64 HydrophobicContact CG-CB 3.92Å; E17-Q64 VanDerWaalsContact OE1-CB 3.32Å; E17-Q64 WeakPolarHBondContact OE1-CB 3.43Å
18	M	93.2	Very high	78.8	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.03	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.4	-178.6	-53.4	-165.7	87.7	0	0	109.8	R16 L61 K62 F63 Q64 D86 L177	R16-M18 PolarHBondContact O-N 3.41Å; M18-L61 HydrophobicContact SD-CD1 4.12Å; M18-L61 HydrophobicContact SD-CD2 4.44Å; M18-K62 PolarHBondContact N-O 2.96Å; M18-F63 HydrophobicContact CB-CD1 3.78Å; M18-F63 HydrophobicContact CB-CE1 3.97Å; M18-F63 HydrophobicContact CG-CE1 4.4Å; M18-F63 CarbonylContact O-C 3.5Å; M18-F63 VanDerWaalsContact O-CA 3.26Å; M18-F63 WeakPolarHBondContact O-CA 3.46Å; M18-F63 HydrophobicContact SD-CE1 4.14Å; M18-Q64 PolarHBondContact O-N 2.78Å; M18-D86 WeakPolarHBondContact CA-OD2 3.32Å; M18-D86 HydrophobicContact CE-CB 4.39Å; M18-L177 HydrophobicContact CE-CB 3.87Å; M18-L177 HydrophobicContact CE-CD1 4.06Å; M18-L177 HydrophobicContact CE-CD2 3.68Å; M18-L177 HydrophobicContact CE-CG 4.07Å; M18-L177 HydrophobicContact SD-CB 4.07Å; M18-L177 HydrophobicContact SD-CD1 3.74Å; M18-L177 HydrophobicContact SD-CD2 4.47Å; M18-L177 HydrophobicContact SD-CG 4.31Å
19	R	96.6	Very high	81	Confident	39 Å²	39	48.5 Å²	48.5	15%	0.147	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.5	-177.1	-174.2	-177.8	176.8	95.7	1.1	110.6	W66 Y81 S83 N84 D86 A87	R19-W66 VanDerWaalsContact CZ-CE2 3.44Å; R19-Y81 PolarHBondContact NH2-O 3.46Å; R19-Y81 VanDerWaalsContact NH2-O 3.11Å; R19-S83 PolarHBondContact NE-O 2.91Å; R19-N84 WeakPolarHBondContact CB-O 3.29Å; R19-N84 WeakPolarHBondContact CD-O 3.33Å; R19-D86 PolarHBondContact N-OD2 3.29Å; R19-D86 PolarHBondContact O-N 3.03Å; R19-A87 PolarHBondContact O-N 3.22Å
20	I	98.3	Very high	83.2	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.2	174.8	-62.8	-178.5	0	0	0	109.4	I22 F63 Q64 V65 W66 A87 I89 L173	I20-I22 HydrophobicContact CG2-CG1 4.34Å; I20-F63 HydrophobicContact CD1-CB 3.93Å; I20-F63 HydrophobicContact CD1-CD1 3.3Å; I20-F63 HydrophobicContact CD1-CD2 4.39Å; I20-F63 HydrophobicContact CD1-CE1 3.84Å; I20-F63 HydrophobicContact CD1-CG 3.62Å; I20-F63 HydrophobicContact CG1-CB 4.41Å; I20-F63 HydrophobicContact CG1-CD1 3.85Å; I20-F63 HydrophobicContact CG1-CG 4.4Å; I20-Q64 PolarHBondContact N-O 3.1Å; I20-V65 HydrophobicContact CB-CG2 4.38Å; I20-V65 HydrophobicContact CG2-CG1 4.44Å; I20-V65 WeakPolarHBondContact O-CA 3.47Å; I20-W66 PolarHBondContact O-N 3.1Å; I20-A87 VanDerWaalsContact CA-O 3.3Å; I20-A87 WeakPolarHBondContact CA-O 3.5Å; I20-A87 HydrophobicContact CG1-CB 4.43Å; I20-I89 HydrophobicContact CG2-CD1 3.8Å; I20-I89 HydrophobicContact CG2-CG1 3.83Å; I20-L173 HydrophobicContact CD1-CD2 3.66Å
21	L	98.7	Very high	85.5	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.6	163.8	-61.3	-176.5	0	0	0	109.9	L23 W66 L68 Y82 T85 A87 V88 I89 L116	L21-L23 HydrophobicContact CB-CD1 3.91Å; L21-L23 HydrophobicContact CB-CG 4.36Å; L21-L23 HydrophobicContact CD1-CD1 4.02Å; L21-W66 HydrophobicContact CD2-CB 3.55Å; L21-W66 HydrophobicContact CD2-CG 4.03Å; L21-L68 HydrophobicContact CD2-CD1 4.49Å; L21-Y82 HydrophobicContact CD1-CD1 3.6Å; L21-Y82 HydrophobicContact CD1-CE1 4.23Å; L21-T85 HydrophobicContact CB-CG2 4.31Å; L21-T85 HydrophobicContact CD1-CG2 4.04Å; L21-T85 VanDerWaalsContact CD1-OG1 3.31Å; L21-T85 WeakPolarHBondContact CD1-OG1 3.43Å; L21-T85 HydrophobicContact CG-CG2 3.75Å; L21-T85 WeakPolarHBondContact CG-OG1 3.48Å; L21-A87 PolarHBondContact N-O 3.4Å; L21-V88 HydrophobicContact CB-CG2 4.43Å; L21-V88 CarbonylContact O-C 3.59Å; L21-V88 WeakPolarHBondContact O-CA 3.4Å; L21-I89 PolarHBondContact O-N 2.98Å; L21-L116 HydrophobicContact CD1-CD2 4.4Å
22	I	98.8	Very high	87.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.6	166.1	-53.8	-171	0	0	0	108.5	I20 K30 L34 V65 W66 L68 I89 V91	I20-I22 HydrophobicContact CG2-CG1 4.34Å; I22-K30 HydrophobicContact CG2-CB 3.67Å; I22-K30 HydrophobicContact CG2-CD 4.04Å; I22-K30 HydrophobicContact CG2-CG 3.8Å; I22-L34 HydrophobicContact CD1-CB 4.41Å; I22-V65 HydrophobicContact CD1-CG1 3.36Å; I22-V65 HydrophobicContact CG1-CG1 3.46Å; I22-V65 VanDerWaalsContact CG1-CG1 3.46Å; I22-W66 PolarHBondContact N-O 3.34Å; I22-L68 PolarHBondContact O-N 3.48Å; I22-I89 WeakPolarHBondContact CA-O 3.14Å; I22-I89 HydrophobicContact CD1-CD1 4.44Å; I22-I89 HydrophobicContact CG1-CB 4.16Å; I22-I89 HydrophobicContact CG1-CD1 4.37Å; I22-I89 HydrophobicContact CG2-CG2 4.48Å; I22-V91 HydrophobicContact CG2-CG2 3.72Å
23	L	98.8	Very high	90	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	165.5	-170.5	-81.2	164.3	0	0	0	111.2	L21 K30 L68 W78 Y82 V88 I89 Y90 V91 M110	L21-L23 HydrophobicContact CB-CD1 3.91Å; L21-L23 HydrophobicContact CB-CG 4.36Å; L21-L23 HydrophobicContact CD1-CD1 4.02Å; L23-K30 WeakPolarHBondContact O-CD 3.32Å; L23-L68 HydrophobicContact CD1-CD1 4.36Å; L23-L68 HydrophobicContact CD2-CB 3.85Å; L23-L68 HydrophobicContact CD2-CD1 3.6Å; L23-L68 HydrophobicContact CD2-CG 4.17Å; L23-L68 HydrophobicContact CG-CD1 4.08Å; L23-W78 HydrophobicContact CD2-CB 4.02Å; L23-W78 HydrophobicContact CD2-CD2 3.23Å; L23-W78 HydrophobicContact CD2-CE3 3.66Å; L23-W78 HydrophobicContact CD2-CG 3.42Å; L23-W78 VanDerWaalsContact CD2-CG 3.42Å; L23-W78 HydrophobicContact CD2-CH2 4.28Å; L23-W78 HydrophobicContact CD2-CZ2 3.92Å; L23-W78 HydrophobicContact CD2-CZ3 4.14Å; L23-Y82 HydrophobicContact CD1-CE1 3.92Å; L23-V88 HydrophobicContact CB-CG1 4.45Å; L23-V88 HydrophobicContact CD1-CG1 4.26Å; L23-I89 PolarHBondContact N-O 3.41Å; L23-Y90 HydrophobicContact CB-CD2 3.94Å; L23-Y90 HydrophobicContact CB-CE2 4.35Å; L23-Y90 CarbonylContact O-C 3.51Å; L23-Y90 WeakPolarHBondContact O-CA 3.49Å; L23-V91 PolarHBondContact O-N 3.47Å; L23-M110 HydrophobicContact CB-SD 4.19Å; L23-M110 HydrophobicContact CD1-CG 4.45Å; L23-M110 HydrophobicContact CD1-SD 3.35Å; L23-M110 WeakPolarHBondContact CD1-SD 3.41Å; L23-M110 HydrophobicContact CG-SD 4.33Å
24	G	98.8	Very high	92.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.168	C	C	.	.			trans	131.2	169.7	-175.9	0	0	0	0	0	112.7	K30 G70 W78	G24-K30 WeakPolarHBondContact O-CE 3.34Å; G24-K30 PolarHBondContact O-NZ 3.42Å; G24-G70 WeakPolarHBondContact O-CA 3.42Å; G24-W78 WeakPolarHBondContact O-CZ2 3.34Å
25	L	98.8	Very high	94.2	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.042	16%	0.158	C	C	.	.			trans	-62.4	160.5	-174	-50.9	-170.2	0	0	0	112.7	A28 K30 R99 I102 E106	L25-A28 VanDerWaalsContact O-CB 3.29Å; L25-A28 WeakPolarHBondContact O-CB 3.46Å; L25-A28 PolarHBondContact O-N 3.15Å; L25-K30 PolarHBondContact O-NZ 3.07Å; L25-R99 HydrophobicContact CD1-CB 3.78Å; L25-I102 HydrophobicContact CD1-CB 4.31Å; L25-I102 HydrophobicContact CD1-CG2 4.28Å; L25-I102 HydrophobicContact CD2-CG2 4.12Å; L25-E106 HydrophobicContact CD2-CG 4.04Å
26	D	98.3	Very high	96	Very high	44 Å²	44	27 Å²	27	24%	0.235	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	143.5	168.7	56	-79.2	0	0	0	111.2	A28 G70 Q71 R75 R99	D26-A28 PolarHBondContact O-N 3.35Å; D26-G70 PolarHBondContact N-O 3.08Å; D26-Q71 HydrophobicContact CB-CG 4.1Å; D26-R75 IonicContact OD1-NH2 2.65Å; D26-R75 PolarHBondContact OD1-NH2 2.7Å; D26-R99 PolarHBondContact O-NH2 3.42Å; D26-R99 IonicContact OD1-NH1 2.61Å; D26-R99 PolarHBondContact OD1-NH1 2.7Å; D26-R99 IonicContact OD2-CZ 2.67Å; D26-R99 IonicContact OD2-NH1 3.29Å; D26-R99 PolarHBondContact OD2-NH1 2.89Å; D26-R99 IonicContact OD2-NH2 3.61Å
27	G	97.4	Very high	97.1	Very high	53 Å²	53	21.6 Å²	21.6	55%	0.546	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	-6.7	-177.4	0	0	0	0	0	115.5	G29 K127	G27-G29 PolarHBondContact O-N 3.48Å; G27-K127 WeakPolarHBondContact O-CE 3.39Å; G27-K127 PolarHBondContact O-NZ 3.3Å
28	A	98.4	Very high	97.4	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.017	11%	0.114	C	C	.	.	S	Bend	trans	-67	-18.5	-179.1	0	0	0	0	0	114.7	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.29Å; L25-A28 WeakPolarHBondContact O-CB 3.46Å; L25-A28 PolarHBondContact O-N 3.15Å; D26-A28 PolarHBondContact O-N 3.35Å; A28-V91 HydrophobicContact CB-CB 4.37Å; A28-V91 HydrophobicContact CB-CG1 4.1Å; A28-V91 WeakPolarHBondContact CB-O 3.36Å; A28-V91 WeakPolarHBondContact O-CG1 3.19Å; A28-N126 PolarHBondContact O-ND2 3.47Å
29	G	98.3	Very high	97.3	Very high	15 Å²	15	24.5 Å²	24.5	16%	0.155	14%	0.137	C	C	.	.			trans	100.7	15.3	176.5	0	0	0	0	0	115.9	G27 T31 T32 I33	G27-G29 PolarHBondContact O-N 3.48Å; G29-T31 PolarHBondContact O-N 3.3Å; G29-T32 WeakPolarHBondContact O-CB 3.4Å; G29-T32 PolarHBondContact O-N 3.17Å; G29-I33 WeakPolarHBondContact O-CG1 3.19Å; G29-I33 PolarHBondContact O-N 3.24Å
30	K	98.5	Very high	97	Very high	11 Å²	11	24.7 Å²	24.7	5%	0.048	15%	0.152	C	C	.	.	H	α-helix	trans	-50	-56.5	-179.1	-60.6	-173.5	-57.7	-73.4	0	113.8	I22 L23 G24 L25 T32 I33 L34 D67 L68 V91	I22-K30 HydrophobicContact CG2-CB 3.67Å; I22-K30 HydrophobicContact CG2-CD 4.04Å; I22-K30 HydrophobicContact CG2-CG 3.8Å; L23-K30 WeakPolarHBondContact O-CD 3.32Å; G24-K30 WeakPolarHBondContact O-CE 3.34Å; G24-K30 PolarHBondContact O-NZ 3.42Å; L25-K30 PolarHBondContact O-NZ 3.07Å; K30-T32 VanDerWaalsContact C-N 3.31Å; K30-T32 PolarHBondContact O-N 3Å; K30-I33 WeakPolarHBondContact O-CB 3.37Å; K30-I33 PolarHBondContact O-N 2.9Å; K30-I33 VanDerWaalsContact O-N 3.13Å; K30-L34 PolarHBondContact O-N 3.47Å; K30-D67 WeakPolarHBondContact CB-OD1 3.24Å; K30-L68 WeakPolarHBondContact CE-O 3.44Å; K30-V91 HydrophobicContact CG-CB 3.79Å; K30-V91 HydrophobicContact CG-CG1 4.45Å; K30-V91 HydrophobicContact CG-CG2 3.83Å
31	T	97.9	Very high	96.5	Very high	18 Å²	18	31.1 Å²	31.1	11%	0.11	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-36.1	-179.4	-43.1	0	0	0	0	112.3	G29 L34 Y35 T45 T48 D67	G29-T31 PolarHBondContact O-N 3.3Å; T31-L34 PolarHBondContact O-N 3.02Å; T31-Y35 HydrophobicContact CG2-CD2 3.94Å; T31-Y35 HydrophobicContact CG2-CE2 3.54Å; T31-Y35 WeakPolarHBondContact O-CD2 3.44Å; T31-Y35 PolarHBondContact O-N 3.4Å; T31-T45 HydrophobicContact CG2-CG2 3.63Å; T31-T48 PolarHBondContact OG1-OG1 2.82Å; T31-D67 WeakPolarHBondContact CA-OD2 3.32Å; T31-D67 VanDerWaalsContact CB-OD2 3.3Å; T31-D67 WeakPolarHBondContact CB-OD2 3.31Å; T31-D67 PolarHBondContact OG1-OD2 2.85Å
32	T	98.2	Very high	96	Very high	20 Å²	20	34.6 Å²	34.6	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-40.6	175	-51	0	0	0	0	111.2	G29 K30 R36 V42 A160	G29-T32 WeakPolarHBondContact O-CB 3.4Å; G29-T32 PolarHBondContact O-N 3.17Å; K30-T32 VanDerWaalsContact C-N 3.31Å; K30-T32 PolarHBondContact O-N 3Å; T32-R36 VanDerWaalsContact O-CB 3.24Å; T32-R36 WeakPolarHBondContact O-CB 3.26Å; T32-R36 PolarHBondContact O-N 3.17Å; T32-V42 HydrophobicContact CG2-CG1 4.1Å; T32-A160 HydrophobicContact CG2-CB 3.74Å
33	I	98.4	Very high	95.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-44.1	174.5	-68.2	175.5	0	0	0	110.6	G29 K30 Y35 R36 L37 V91 F124 N126 A160 L166	G29-I33 WeakPolarHBondContact O-CG1 3.19Å; G29-I33 PolarHBondContact O-N 3.24Å; K30-I33 WeakPolarHBondContact O-CB 3.37Å; K30-I33 PolarHBondContact O-N 2.9Å; K30-I33 VanDerWaalsContact O-N 3.13Å; I33-Y35 PolarHBondContact O-N 2.59Å; I33-R36 PolarHBondContact O-N 3.02Å; I33-L37 HydrophobicContact CG2-CD1 3.94Å; I33-L37 HydrophobicContact CG2-CG 4.32Å; I33-L37 WeakPolarHBondContact O-CG 3.43Å; I33-L37 PolarHBondContact O-N 2.93Å; I33-V91 HydrophobicContact CD1-CG1 3.72Å; I33-V91 HydrophobicContact CD1-CG2 4.12Å; I33-F124 HydrophobicContact CD1-CB 4.45Å; I33-F124 HydrophobicContact CD1-CD2 3.69Å; I33-F124 HydrophobicContact CD1-CE2 4.48Å; I33-F124 HydrophobicContact CG2-CD2 4.08Å; I33-F124 HydrophobicContact CG2-CE2 3.84Å; I33-N126 HydrophobicContact CD1-CB 4.33Å; I33-A160 HydrophobicContact CD1-CB 4.34Å; I33-A160 HydrophobicContact CG1-CB 3.44Å; I33-A160 VanDerWaalsContact CG1-CB 3.44Å; I33-L166 HydrophobicContact CD1-CD2 4.49Å; I33-L166 HydrophobicContact CG1-CD2 4.35Å; I33-L166 HydrophobicContact CG2-CD2 3.92Å
34	L	97.4	Very high	95	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.2	-54	177.5	176.4	54.2	0	0	0	111.3	I22 K30 T31 R36 L37 Q38 E54 V56 V65 D67	I22-L34 HydrophobicContact CD1-CB 4.41Å; K30-L34 PolarHBondContact O-N 3.47Å; T31-L34 PolarHBondContact O-N 3.02Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.09Å; L34-L37 PolarHBondContact O-N 2.8Å; L34-Q38 WeakPolarHBondContact O-CB 3.28Å; L34-Q38 PolarHBondContact O-N 2.94Å; L34-E54 HydrophobicContact CD1-CB 4.06Å; L34-E54 HydrophobicContact CD1-CG 4.46Å; L34-E54 HydrophobicContact CD2-CB 4.14Å; L34-E54 HydrophobicContact CD2-CG 3.76Å; L34-E54 HydrophobicContact CG-CB 4.36Å; L34-E54 HydrophobicContact CG-CG 4.22Å; L34-V56 HydrophobicContact CD1-CG2 3.69Å; L34-V65 HydrophobicContact CD1-CB 3.86Å; L34-V65 HydrophobicContact CD1-CG1 3.75Å; L34-V65 HydrophobicContact CD1-CG2 4.37Å; L34-D67 HydrophobicContact CD2-CB 3.72Å
35	Y	96.5	Very high	94.7	Very high	57 Å²	57	46.8 Å²	46.8	22%	0.224	28%	0.277	C	S	.	.	H	α-helix	trans	-67.7	-32.7	179.5	-67.3	-47.6	0	0	0	112.7	T31 I33 L37 Q38 V39 V43 T45 N52 E54	T31-Y35 HydrophobicContact CG2-CD2 3.94Å; T31-Y35 HydrophobicContact CG2-CE2 3.54Å; T31-Y35 WeakPolarHBondContact O-CD2 3.44Å; T31-Y35 PolarHBondContact O-N 3.4Å; I33-Y35 PolarHBondContact O-N 2.59Å; Y35-L37 VanDerWaalsContact C-N 3.31Å; Y35-L37 PolarHBondContact O-N 3.49Å; Y35-Q38 PolarHBondContact O-N 2.92Å; Y35-V39 WeakPolarHBondContact O-CG2 3.27Å; Y35-V39 PolarHBondContact O-N 3.49Å; Y35-V43 HydrophobicContact CD2-CB 4.02Å; Y35-V43 HydrophobicContact CD2-CG1 4.39Å; Y35-V43 HydrophobicContact CD2-CG2 4.5Å; Y35-V43 HydrophobicContact CG-CB 4.28Å; Y35-V43 HydrophobicContact CG-CG2 4.27Å; Y35-T45 HydrophobicContact CD2-CG2 4.2Å; Y35-T45 HydrophobicContact CE2-CG2 4.4Å; Y35-N52 PolarHBondContact OH-ND2 3.05Å; Y35-E54 HydrophobicContact CE1-CG 4.47Å
36	R	95.6	Very high	94.3	Very high	64 Å²	64	53 Å²	53	24%	0.242	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-41.4	172.9	-169.8	64.4	168.6	-175.8	-7.5	111.8	T32 I33 L34 G40 K162 L166	T32-R36 VanDerWaalsContact O-CB 3.24Å; T32-R36 WeakPolarHBondContact O-CB 3.26Å; T32-R36 PolarHBondContact O-N 3.17Å; I33-R36 PolarHBondContact O-N 3.02Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.09Å; R36-G40 PolarHBondContact NH1-O 3.23Å; R36-G40 WeakPolarHBondContact O-CA 3.47Å; R36-G40 PolarHBondContact O-N 3.01Å; R36-K162 VanDerWaalsContact NH2-C 3.32Å; R36-K162 PolarHBondContact NH2-O 3.21Å; R36-L166 HydrophobicContact CB-CD1 3.99Å; R36-L166 HydrophobicContact CG-CD1 3.55Å
37	L	94.9	Very high	94.1	Very high	32 Å²	32	55.7 Å²	55.7	17%	0.168	33%	0.329	C	S	.	.	H	α-helix	trans	-72.6	-33.6	176.5	-69.7	174.7	0	0	0	112.8	I33 L34 Y35 V56 L166 M170	I33-L37 HydrophobicContact CG2-CD1 3.94Å; I33-L37 HydrophobicContact CG2-CG 4.32Å; I33-L37 WeakPolarHBondContact O-CG 3.43Å; I33-L37 PolarHBondContact O-N 2.93Å; L34-L37 PolarHBondContact O-N 2.8Å; Y35-L37 VanDerWaalsContact C-N 3.31Å; Y35-L37 PolarHBondContact O-N 3.49Å; L37-V56 HydrophobicContact CB-CG1 4.07Å; L37-L166 HydrophobicContact CD2-CB 4.05Å; L37-L166 HydrophobicContact CD2-CD1 4.44Å; L37-M170 HydrophobicContact CD1-CG 4.3Å; L37-M170 HydrophobicContact CD1-SD 4.03Å; L37-M170 HydrophobicContact CD2-CG 3.72Å
38	Q	93.4	Very high	93.8	Very high	67 Å²	67	54.2 Å²	54.2	31%	0.313	31%	0.309	S	S	.	.	H	α-helix	trans	-80.5	-46.9	-175.6	-171.2	-179.5	5.8	0	0	113	L34 Y35 E54 V56	L34-Q38 WeakPolarHBondContact O-CB 3.28Å; L34-Q38 PolarHBondContact O-N 2.94Å; Y35-Q38 PolarHBondContact O-N 2.92Å; Q38-E54 PolarHBondContact NE2-OE2 3.01Å; Q38-V56 HydrophobicContact CB-CG2 4.21Å
39	V	90.9	Very high	93.4	Very high	83 Å²	83	61.5 Å²	61.5	50%	0.503	35%	0.346	S	S	.	.	H	α-helix	trans	-118.1	-5.6	-172.6	-60.3	0	0	0	0	113.8	Y35 E41 V43	Y35-V39 WeakPolarHBondContact O-CG2 3.27Å; Y35-V39 PolarHBondContact O-N 3.49Å; V39-E41 HydrophobicContact CG2-CB 4.27Å; V39-E41 PolarHBondContact O-N 2.86Å; V39-V43 HydrophobicContact CG2-CG2 4.31Å
40	G	90.1	Very high	93.1	Very high	44 Å²	44	62 Å²	62	45%	0.454	35%	0.352	S	S	.	.	S	Bend	trans	78	-2	-179.4	0	0	0	0	0	114.5	R36	R36-G40 PolarHBondContact NH1-O 3.23Å; R36-G40 WeakPolarHBondContact O-CA 3.47Å; R36-G40 PolarHBondContact O-N 3.01Å
41	E	88	Confident	93	Very high	135 Å²	135	65.8 Å²	65.8	63%	0.631	37%	0.368	S	S	*	.	S	Bend	trans	-118.5	158.7	-173.5	-64.9	-170.9	171.4	0	0	112.6	V39	V39-E41 HydrophobicContact CG2-CB 4.27Å; V39-E41 PolarHBondContact O-N 2.86Å
42	V	89.4	Confident	92.8	Very high	73 Å²	73	66.9 Å²	66.9	44%	0.442	37%	0.373	S	S	.	.			trans	-88.1	110.9	174.2	-177.4	0	0	0	0	108.2	T32 T161	T32-V42 HydrophobicContact CG2-CG1 4.1Å; V42-T161 WeakPolarHBondContact CG2-O 3.31Å
43	V	89	Confident	92.7	Very high	60 Å²	60	68.3 Å²	68.3	36%	0.364	38%	0.382	S	S	.	.			trans	-94.9	139.3	174.6	-176.6	0	0	0	0	109.1	Y35 V39 T45	Y35-V43 HydrophobicContact CD2-CB 4.02Å; Y35-V43 HydrophobicContact CD2-CG1 4.39Å; Y35-V43 HydrophobicContact CD2-CG2 4.5Å; Y35-V43 HydrophobicContact CG-CB 4.28Å; Y35-V43 HydrophobicContact CG-CG2 4.27Å; V39-V43 HydrophobicContact CG2-CG2 4.31Å; V43-T45 PolarHBondContact O-N 3.47Å
44	T	87.5	Confident	92.6	Very high	141 Å²	141	70.5 Å²	70.5	87%	0.865	39%	0.392	S	S	*	.			trans	-66.7	127.4	172.6	-61.4	0	0	0	0	109.1
45	T	91.2	Very high	92.5	Very high	55 Å²	55	73.8 Å²	73.8	34%	0.337	41%	0.412	S	S	.	.			trans	-113.3	148.2	-177.3	58.7	0	0	0	0	111.1	T31 Y35 V43	T31-T45 HydrophobicContact CG2-CG2 3.63Å; Y35-T45 HydrophobicContact CD2-CG2 4.2Å; Y35-T45 HydrophobicContact CE2-CG2 4.4Å; V43-T45 PolarHBondContact O-N 3.47Å
46	I	91.3	Very high	92.5	Very high	139 Å²	139	71.2 Å²	71.2	71%	0.713	40%	0.402	S	S	*	.			trans	-105.1	160.8	164.6	61.7	171.9	0	0	0	108.5	T48	I46-T48 PolarHBondContact O-N 2.89Å; I46-T48 VanDerWaalsContact O-N 3.11Å
47	P	93.2	Very high	92.3	Very high	100 Å²	100	72.2 Å²	72.2	65%	0.649	42%	0.416	S	S	*	.			trans	-52.3	121.2	174.9	-27.1	35.5	0	0	0	111.7	I49	P47-I49 PolarHBondContact O-N 2.79Å
48	T	92.8	Very high	92	Very high	22 Å²	22	72.5 Å²	72.5	14%	0.135	42%	0.415	C	S	.	.			trans	-63	124.6	179.5	-48.3	0	0	0	0	110.2	T31 I46 Q71	T31-T48 PolarHBondContact OG1-OG1 2.82Å; I46-T48 PolarHBondContact O-N 2.89Å; I46-T48 VanDerWaalsContact O-N 3.11Å; T48-Q71 PolarHBondContact O-NE2 3.36Å; T48-Q71 PolarHBondContact O-OE1 2.95Å
49	I	89.2	Confident	91.6	Very high	155 Å²	155	75.3 Å²	75.3	80%	0.795	43%	0.426	S	S	*	.	S	Bend	trans	-92.7	115.7	173.7	-58.7	176.3	0	0	0	107.4	P47 F51	P47-I49 PolarHBondContact O-N 2.79Å; I49-F51 PolarHBondContact O-N 2.8Å; I49-F51 VanDerWaalsContact O-N 3.13Å
50	G	92.6	Very high	91.2	Very high	26 Å²	26	75.4 Å²	75.4	27%	0.268	42%	0.424	S	S	.	.	S	Bend	trans	73.4	-101.8	-177.9	0	0	0	0	0	111.8	G69	G50-G69 PolarHBondContact O-N 3.13Å
51	F	95.2	Very high	91	Very high	91 Å²	91	73.4 Å²	73.4	40%	0.399	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	159.1	-177.6	68.9	-85.9	0	0	0	113.4	I49 V53 W66 D67 L68 Y81	I49-F51 PolarHBondContact O-N 2.8Å; I49-F51 VanDerWaalsContact O-N 3.13Å; F51-V53 HydrophobicContact CD2-CG2 3.6Å; F51-V53 HydrophobicContact CE2-CG2 3.64Å; F51-W66 AromaticContact CD2-CE3 3.8Å; F51-W66 HydrophobicContact CD2-CE3 3.8Å; F51-W66 AromaticContact CD2-CZ3 3.78Å; F51-W66 HydrophobicContact CD2-CZ3 3.78Å; F51-W66 HydrophobicContact CE2-CE3 4.04Å; F51-W66 HydrophobicContact CE2-CH2 4.32Å; F51-W66 AromaticContact CE2-CZ3 3.51Å; F51-W66 HydrophobicContact CE2-CZ3 3.51Å; F51-W66 HydrophobicContact CG-CE3 4.49Å; F51-W66 HydrophobicContact CZ-CZ3 4.1Å; F51-D67 CarbonylContact C-O 3.52Å; F51-D67 VanDerWaalsContact CA-O 3.23Å; F51-D67 WeakPolarHBondContact CA-O 3.46Å; F51-L68 HydrophobicContact CB-CD2 3.39Å; F51-L68 HydrophobicContact CG-CD2 4.4Å; F51-Y81 AromaticContact CD1-CE1 3.66Å; F51-Y81 HydrophobicContact CD1-CE1 3.66Å; F51-Y81 AromaticContact CD1-CZ 3.58Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.35Å; F51-Y81 AromaticContact CE1-CE1 3.76Å; F51-Y81 HydrophobicContact CE1-CE1 3.76Å; F51-Y81 AromaticContact CE1-CZ 3.93Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.32Å; F51-Y81 HydrophobicContact CG-CE1 4.11Å; F51-Y81 HydrophobicContact CZ-CE1 4.3Å
52	N	94.5	Very high	91.2	Very high	41 Å²	41	72.7 Å²	72.7	22%	0.219	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.5	166.3	-172	41.1	0	0	0	110	Y35 E54 W66 D67	Y35-N52 PolarHBondContact OH-ND2 3.05Å; N52-E54 WeakPolarHBondContact ND2-CG 3.3Å; N52-E54 PolarHBondContact ND2-OE1 3.05Å; N52-W66 CarbonylContact O-C 3.5Å; N52-W66 WeakPolarHBondContact O-CA 3.14Å; N52-D67 HydrophobicContact CB-CB 4.4Å; N52-D67 PolarHBondContact N-O 3.43Å; N52-D67 PolarHBondContact O-N 2.97Å
53	V	96.4	Very high	91.5	Very high	49 Å²	49	69.2 Å²	69.2	30%	0.297	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.5	175.5	-172	0	0	0	0	109.4	F51 Q64 V65 W66	F51-V53 HydrophobicContact CD2-CG2 3.6Å; F51-V53 HydrophobicContact CE2-CG2 3.64Å; V53-Q64 HydrophobicContact CG1-CG 3.77Å; V53-V65 WeakPolarHBondContact CA-O 3.31Å; V53-W66 HydrophobicContact CG1-CD2 4.36Å; V53-W66 HydrophobicContact CG1-CZ2 4.35Å; V53-W66 HydrophobicContact CG2-CD2 3.55Å; V53-W66 HydrophobicContact CG2-CE3 3.51Å; V53-W66 HydrophobicContact CG2-CG 4.18Å; V53-W66 HydrophobicContact CG2-CH2 3.92Å; V53-W66 HydrophobicContact CG2-CZ2 3.96Å; V53-W66 HydrophobicContact CG2-CZ3 3.7Å
54	E	96.2	Very high	91.9	Very high	47 Å²	47	68.9 Å²	68.9	22%	0.22	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.3	178.6	-62.2	-69	171.5	0	0	110.4	L34 Y35 Q38 N52 V65	L34-E54 HydrophobicContact CD1-CB 4.06Å; L34-E54 HydrophobicContact CD1-CG 4.46Å; L34-E54 HydrophobicContact CD2-CB 4.14Å; L34-E54 HydrophobicContact CD2-CG 3.76Å; L34-E54 HydrophobicContact CG-CB 4.36Å; L34-E54 HydrophobicContact CG-CG 4.22Å; Y35-E54 HydrophobicContact CE1-CG 4.47Å; Q38-E54 PolarHBondContact NE2-OE2 3.01Å; N52-E54 WeakPolarHBondContact ND2-CG 3.3Å; N52-E54 PolarHBondContact ND2-OE1 3.05Å; E54-V65 PolarHBondContact N-O 2.97Å; E54-V65 PolarHBondContact O-N 3.35Å
55	T	95.5	Very high	92.4	Very high	69 Å²	69	62.4 Å²	62.4	42%	0.423	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.5	168.9	-58.2	0	0	0	0	109.4	K62 F63	T55-K62 HydrophobicContact CG2-CB 4.43Å; T55-F63 CarbonylContact C-O 3.57Å; T55-F63 VanDerWaalsContact CA-O 3.32Å; T55-F63 WeakPolarHBondContact CA-O 3.4Å
56	V	94.8	Very high	92.7	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.012	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.3	173	177.5	0	0	0	0	108.7	L34 L37 Q38 F63 V65	L34-V56 HydrophobicContact CD1-CG2 3.69Å; L37-V56 HydrophobicContact CB-CG1 4.07Å; Q38-V56 HydrophobicContact CB-CG2 4.21Å; V56-F63 HydrophobicContact CB-CB 4.41Å; V56-F63 PolarHBondContact N-O 3.07Å; V56-F63 PolarHBondContact O-N 3.38Å; V56-V65 HydrophobicContact CB-CG2 3.98Å; V56-V65 HydrophobicContact CG2-CB 4.43Å; V56-V65 HydrophobicContact CG2-CG2 3.7Å
57	T	91.8	Very high	93.1	Very high	86 Å²	86	55.1 Å²	55.1	53%	0.528	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.3	172.4	-58	0	0	0	0	108.8	L61	T57-L61 WeakPolarHBondContact CA-O 3.47Å
58	Y	89.6	Confident	93.3	Very high	37 Å²	37	50.5 Å²	50.5	15%	0.145	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117.5	173.6	-167.2	-90.5	0	0	0	108.8	N60 L61 D167 M170 V174	Y58-N60 PolarHBondContact O-N 2.99Å; Y58-L61 PolarHBondContact N-O 3.49Å; Y58-L61 PolarHBondContact O-N 3.32Å; Y58-D167 WeakPolarHBondContact CE2-OD1 3.32Å; Y58-D167 PolarHBondContact OH-O 3.46Å; Y58-M170 HydrophobicContact CD1-CB 4.19Å; Y58-M170 HydrophobicContact CD2-CB 3.98Å; Y58-M170 HydrophobicContact CD2-CG 4.41Å; Y58-M170 HydrophobicContact CE1-CB 3.98Å; Y58-M170 HydrophobicContact CE2-CB 3.78Å; Y58-M170 HydrophobicContact CE2-CG 4.44Å; Y58-M170 HydrophobicContact CG-CB 4.18Å; Y58-V174 HydrophobicContact CD1-CG2 3.92Å; Y58-V174 HydrophobicContact CE1-CG2 4.5Å
59	K	85.6	Confident	93.5	Very high	127 Å²	127	49.5 Å²	49.5	55%	0.552	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	-118.3	-170.2	-60.1	-178.4	171.8	-171.4	0	110.9	E171	K59-E171 WeakPolarHBondContact CE-OE2 3.24Å; K59-E171 IonicContact NZ-OE1 2.69Å; K59-E171 PolarHBondContact NZ-OE1 3.09Å; K59-E171 IonicContact NZ-OE2 3.09Å; K59-E171 PolarHBondContact NZ-OE2 3.04Å
60	N	80.6	Confident	93.9	Very high	84 Å²	84	42.1 Å²	42.1	45%	0.449	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	10.5	-178.7	71.5	-46.3	0	0	0	113.7	Y58	Y58-N60 PolarHBondContact O-N 2.99Å
61	L	86.8	Confident	94.2	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.5	178.9	-74.5	-177.2	0	0	0	111.4	F13 M18 T57 Y58 F63 V174	F13-L61 HydrophobicContact CD1-CD2 4.08Å; F13-L61 HydrophobicContact CE1-CD1 4.2Å; F13-L61 HydrophobicContact CE1-CD2 3.35Å; F13-L61 HydrophobicContact CE1-CG 4.01Å; F13-L61 HydrophobicContact CZ-CD1 4.34Å; F13-L61 HydrophobicContact CZ-CD2 3.86Å; M18-L61 HydrophobicContact SD-CD1 4.12Å; M18-L61 HydrophobicContact SD-CD2 4.44Å; T57-L61 WeakPolarHBondContact CA-O 3.47Å; Y58-L61 PolarHBondContact N-O 3.49Å; Y58-L61 PolarHBondContact O-N 3.32Å; L61-F63 HydrophobicContact CB-CE2 4.08Å; L61-F63 HydrophobicContact CB-CZ 3.96Å; L61-F63 HydrophobicContact CD1-CZ 4.03Å; L61-V174 HydrophobicContact CD1-CB 4.35Å; L61-V174 HydrophobicContact CD1-CG1 3.82Å; L61-V174 HydrophobicContact CD1-CG2 4.13Å
62	K	92	Very high	94.3	Very high	120 Å²	120	43.5 Å²	43.5	52%	0.522	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.9	172	-66.3	-175.4	179	-177	0	109	E17 M18 T55	E17-K62 WeakPolarHBondContact CA-O 3.39Å; E17-K62 HydrophobicContact CG-CB 4.47Å; M18-K62 PolarHBondContact N-O 2.96Å; T55-K62 HydrophobicContact CG2-CB 4.43Å
63	F	95.4	Very high	94.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.3	177	-61.6	-69.4	0	0	0	109.7	M18 I20 T55 V56 L61 V65 M170 V174 L177	M18-F63 HydrophobicContact CB-CD1 3.78Å; M18-F63 HydrophobicContact CB-CE1 3.97Å; M18-F63 HydrophobicContact CG-CE1 4.4Å; M18-F63 CarbonylContact O-C 3.5Å; M18-F63 VanDerWaalsContact O-CA 3.26Å; M18-F63 WeakPolarHBondContact O-CA 3.46Å; M18-F63 HydrophobicContact SD-CE1 4.14Å; I20-F63 HydrophobicContact CD1-CB 3.93Å; I20-F63 HydrophobicContact CD1-CD1 3.3Å; I20-F63 HydrophobicContact CD1-CD2 4.39Å; I20-F63 HydrophobicContact CD1-CE1 3.84Å; I20-F63 HydrophobicContact CD1-CG 3.62Å; I20-F63 HydrophobicContact CG1-CB 4.41Å; I20-F63 HydrophobicContact CG1-CD1 3.85Å; I20-F63 HydrophobicContact CG1-CG 4.4Å; T55-F63 CarbonylContact C-O 3.57Å; T55-F63 VanDerWaalsContact CA-O 3.32Å; T55-F63 WeakPolarHBondContact CA-O 3.4Å; V56-F63 HydrophobicContact CB-CB 4.41Å; V56-F63 PolarHBondContact N-O 3.07Å; V56-F63 PolarHBondContact O-N 3.38Å; L61-F63 HydrophobicContact CB-CE2 4.08Å; L61-F63 HydrophobicContact CB-CZ 3.96Å; L61-F63 HydrophobicContact CD1-CZ 4.03Å; F63-V65 HydrophobicContact CB-CG2 3.81Å; F63-V65 PolarHBondContact O-N 3.32Å; F63-M170 HydrophobicContact CD2-CE 3.87Å; F63-M170 HydrophobicContact CE2-CE 3.61Å; F63-M170 HydrophobicContact CZ-CE 4.24Å; F63-V174 HydrophobicContact CE2-CG2 4.14Å; F63-V174 HydrophobicContact CZ-CG2 3.8Å; F63-L177 HydrophobicContact CE1-CD1 3.75Å; F63-L177 HydrophobicContact CZ-CD1 4.35Å
64	Q	97.2	Very high	94.4	Very high	52 Å²	52	44.9 Å²	44.9	24%	0.243	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	103.9	163.8	-163.5	179.5	90	0	0	107.9	E17 M18 I20 V53	E17-Q64 HydrophobicContact CG-CB 3.92Å; E17-Q64 VanDerWaalsContact OE1-CB 3.32Å; E17-Q64 WeakPolarHBondContact OE1-CB 3.43Å; M18-Q64 PolarHBondContact O-N 2.78Å; I20-Q64 PolarHBondContact N-O 3.1Å; V53-Q64 HydrophobicContact CG1-CG 3.77Å
65	V	98.3	Very high	94.5	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.9	-173.1	-171.4	0	0	0	0	109.7	I20 I22 L34 V53 E54 V56 F63	I20-V65 HydrophobicContact CB-CG2 4.38Å; I20-V65 HydrophobicContact CG2-CG1 4.44Å; I20-V65 WeakPolarHBondContact O-CA 3.47Å; I22-V65 HydrophobicContact CD1-CG1 3.36Å; I22-V65 HydrophobicContact CG1-CG1 3.46Å; I22-V65 VanDerWaalsContact CG1-CG1 3.46Å; L34-V65 HydrophobicContact CD1-CB 3.86Å; L34-V65 HydrophobicContact CD1-CG1 3.75Å; L34-V65 HydrophobicContact CD1-CG2 4.37Å; V53-V65 WeakPolarHBondContact CA-O 3.31Å; E54-V65 PolarHBondContact N-O 2.97Å; E54-V65 PolarHBondContact O-N 3.35Å; V56-V65 HydrophobicContact CB-CG2 3.98Å; V56-V65 HydrophobicContact CG2-CB 4.43Å; V56-V65 HydrophobicContact CG2-CG2 3.7Å; F63-V65 HydrophobicContact CB-CG2 3.81Å; F63-V65 PolarHBondContact O-N 3.32Å
66	W	98.4	Very high	94.5	Very high	41 Å²	41	43.9 Å²	43.9	16%	0.155	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	104.9	176.3	-66.1	66.4	0	0	0	108.9	R19 I20 L21 I22 F51 N52 V53 L68 Y81	R19-W66 VanDerWaalsContact CZ-CE2 3.44Å; I20-W66 PolarHBondContact O-N 3.1Å; L21-W66 HydrophobicContact CD2-CB 3.55Å; L21-W66 HydrophobicContact CD2-CG 4.03Å; I22-W66 PolarHBondContact N-O 3.34Å; F51-W66 AromaticContact CD2-CE3 3.8Å; F51-W66 HydrophobicContact CD2-CE3 3.8Å; F51-W66 AromaticContact CD2-CZ3 3.78Å; F51-W66 HydrophobicContact CD2-CZ3 3.78Å; F51-W66 HydrophobicContact CE2-CE3 4.04Å; F51-W66 HydrophobicContact CE2-CH2 4.32Å; F51-W66 AromaticContact CE2-CZ3 3.51Å; F51-W66 HydrophobicContact CE2-CZ3 3.51Å; F51-W66 HydrophobicContact CG-CE3 4.49Å; F51-W66 HydrophobicContact CZ-CZ3 4.1Å; N52-W66 CarbonylContact O-C 3.5Å; N52-W66 WeakPolarHBondContact O-CA 3.14Å; V53-W66 HydrophobicContact CG1-CD2 4.36Å; V53-W66 HydrophobicContact CG1-CZ2 4.35Å; V53-W66 HydrophobicContact CG2-CD2 3.55Å; V53-W66 HydrophobicContact CG2-CE3 3.51Å; V53-W66 HydrophobicContact CG2-CG 4.18Å; V53-W66 HydrophobicContact CG2-CH2 3.92Å; V53-W66 HydrophobicContact CG2-CZ2 3.96Å; V53-W66 HydrophobicContact CG2-CZ3 3.7Å; W66-L68 HydrophobicContact CB-CD2 4.44Å; W66-Y81 AromaticContact CE3-CD1 3.74Å; W66-Y81 HydrophobicContact CE3-CD1 3.74Å; W66-Y81 HydrophobicContact CE3-CE1 4.31Å; W66-Y81 AromaticContact CZ3-CD1 3.69Å; W66-Y81 HydrophobicContact CZ3-CD1 3.69Å; W66-Y81 AromaticContact CZ3-CE1 3.99Å; W66-Y81 HydrophobicContact CZ3-CE1 3.99Å
67	D	98.3	Very high	94.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	115.3	174	174	36.7	0	0	0	109.7	K30 T31 L34 F51 N52	K30-D67 WeakPolarHBondContact CB-OD1 3.24Å; T31-D67 WeakPolarHBondContact CA-OD2 3.32Å; T31-D67 VanDerWaalsContact CB-OD2 3.3Å; T31-D67 WeakPolarHBondContact CB-OD2 3.31Å; T31-D67 PolarHBondContact OG1-OD2 2.85Å; L34-D67 HydrophobicContact CD2-CB 3.72Å; F51-D67 CarbonylContact C-O 3.52Å; F51-D67 VanDerWaalsContact CA-O 3.23Å; F51-D67 WeakPolarHBondContact CA-O 3.46Å; N52-D67 HydrophobicContact CB-CB 4.4Å; N52-D67 PolarHBondContact N-O 3.43Å; N52-D67 PolarHBondContact O-N 2.97Å
68	L	98.3	Very high	94.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.2	-174	-55.7	-177.2	0	0	0	111	L21 I22 L23 K30 F51 W66 G70 Y81	L21-L68 HydrophobicContact CD2-CD1 4.49Å; I22-L68 PolarHBondContact O-N 3.48Å; L23-L68 HydrophobicContact CD1-CD1 4.36Å; L23-L68 HydrophobicContact CD2-CB 3.85Å; L23-L68 HydrophobicContact CD2-CD1 3.6Å; L23-L68 HydrophobicContact CD2-CG 4.17Å; L23-L68 HydrophobicContact CG-CD1 4.08Å; K30-L68 WeakPolarHBondContact CE-O 3.44Å; F51-L68 HydrophobicContact CB-CD2 3.39Å; F51-L68 HydrophobicContact CG-CD2 4.4Å; W66-L68 HydrophobicContact CB-CD2 4.44Å; L68-G70 PolarHBondContact O-N 3.46Å; L68-Y81 HydrophobicContact CD1-CD2 3.97Å; L68-Y81 HydrophobicContact CD1-CG 4.21Å; L68-Y81 HydrophobicContact CD2-CD1 4.44Å; L68-Y81 HydrophobicContact CD2-CD2 3.89Å; L68-Y81 HydrophobicContact CD2-CE2 4.31Å; L68-Y81 HydrophobicContact CD2-CG 3.98Å
69	G	97.5	Very high	95.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.01	26%	0.255	C	S	.	.			trans	-56.5	136.4	176	0	0	0	0	0	111.8	G50 I74 W78	G50-G69 PolarHBondContact O-N 3.13Å; G69-I74 WeakPolarHBondContact O-CG2 3.24Å; G69-W78 PolarHBondContact O-NE1 2.83Å
70	G	97.8	Very high	95.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.01	26%	0.256	C	S	.	.			trans	-102.2	3.7	-174.6	0	0	0	0	0	115	G24 D26 L68 R75	G24-G70 WeakPolarHBondContact O-CA 3.42Å; D26-G70 PolarHBondContact N-O 3.08Å; L68-G70 PolarHBondContact O-N 3.46Å; G70-R75 PolarHBondContact O-NE 2.72Å; G70-R75 PolarHBondContact O-NH2 3.07Å
71	Q	97.5	Very high	96.7	Very high	40 Å²	40	48.9 Å²	48.9	19%	0.187	25%	0.245	C	C	.	.	S	Bend	trans	-72	147.9	-176.1	-52	77.4	10	0	0	109.7	D26 T48 S73 I74 R75	D26-Q71 HydrophobicContact CB-CG 4.1Å; T48-Q71 PolarHBondContact O-NE2 3.36Å; T48-Q71 PolarHBondContact O-OE1 2.95Å; Q71-S73 PolarHBondContact O-N 3.2Å; Q71-I74 HydrophobicContact CB-CD1 4.47Å; Q71-I74 PolarHBondContact O-N 3.13Å; Q71-R75 WeakPolarHBondContact O-CG 3.23Å; Q71-R75 PolarHBondContact O-N 3.05Å
72	T	97.3	Very high	97.3	Very high	105 Å²	105	49.2 Å²	49.2	64%	0.644	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-39.9	-175.9	-53.6	0	0	0	0	113.8	I74	T72-I74 VanDerWaalsContact C-N 3.29Å; T72-I74 PolarHBondContact O-N 3.46Å
73	S	96.6	Very high	97.5	Very high	90 Å²	90	46.3 Å²	46.3	63%	0.629	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-17	179.4	56.3	0	0	0	0	114.6	Q71 Y77	Q71-S73 PolarHBondContact O-N 3.2Å; S73-Y77 WeakPolarHBondContact O-CE2 3.44Å
74	I	96.6	Very high	97.4	Very high	30 Å²	30	52.9 Å²	52.9	15%	0.154	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-30.3	-175.1	-70.6	166.9	0	0	0	112.3	G69 Q71 T72 P76 Y77	G69-I74 WeakPolarHBondContact O-CG2 3.24Å; Q71-I74 HydrophobicContact CB-CD1 4.47Å; Q71-I74 PolarHBondContact O-N 3.13Å; T72-I74 VanDerWaalsContact C-N 3.29Å; T72-I74 PolarHBondContact O-N 3.46Å; I74-P76 VanDerWaalsContact C-N 3.34Å; I74-Y77 WeakPolarHBondContact O-CB 3.35Å; I74-Y77 WeakPolarHBondContact O-CD2 3.32Å; I74-Y77 PolarHBondContact O-N 2.84Å
75	R	98	Very high	97.5	Very high	15 Å²	15	50.9 Å²	50.9	6%	0.057	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-53.6	-37.6	-176.6	-52.9	-178.4	-161	145.7	6.4	115.2	D26 G70 Q71 Y77 W78 I102 E106	D26-R75 IonicContact OD1-NH2 2.65Å; D26-R75 PolarHBondContact OD1-NH2 2.7Å; G70-R75 PolarHBondContact O-NE 2.72Å; G70-R75 PolarHBondContact O-NH2 3.07Å; Q71-R75 WeakPolarHBondContact O-CG 3.23Å; Q71-R75 PolarHBondContact O-N 3.05Å; R75-Y77 PolarHBondContact O-N 2.84Å; R75-W78 HydrophobicContact CB-CD2 4.11Å; R75-W78 HydrophobicContact CB-CE3 4.42Å; R75-W78 HydrophobicContact CB-CZ2 4.19Å; R75-W78 HydrophobicContact CG-CD2 4.47Å; R75-W78 HydrophobicContact CG-CH2 4.09Å; R75-W78 HydrophobicContact CG-CZ2 3.65Å; R75-W78 WeakPolarHBondContact O-CB 3.32Å; R75-W78 PolarHBondContact O-N 2.86Å; R75-I102 VanDerWaalsContact NH1-CG2 3.29Å; R75-E106 VanDerWaalsContact CD-CD 3.42Å; R75-E106 WeakPolarHBondContact CD-OE1 3.38Å; R75-E106 IonicContact NH1-OE1 3.06Å; R75-E106 PolarHBondContact NH1-OE1 3Å
76	P	96.8	Very high	97.4	Very high	79 Å²	79	52 Å²	52	51%	0.513	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-59	-19.6	175.6	-26.5	36.5	0	0	0	114.7	I74 R79	I74-P76 VanDerWaalsContact C-N 3.34Å; P76-R79 PolarHBondContact O-NE 2.8Å
77	Y	96.8	Very high	97.4	Very high	144 Å²	144	50 Å²	50	57%	0.565	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-92.1	-4.7	179.3	-58	-79.4	0	0	0	113.6	S73 I74 R75 R79 C80 Y81	S73-Y77 WeakPolarHBondContact O-CE2 3.44Å; I74-Y77 WeakPolarHBondContact O-CB 3.35Å; I74-Y77 WeakPolarHBondContact O-CD2 3.32Å; I74-Y77 PolarHBondContact O-N 2.84Å; R75-Y77 PolarHBondContact O-N 2.84Å; Y77-R79 PolarHBondContact O-N 3Å; Y77-C80 VanDerWaalsContact O-CB 3.31Å; Y77-C80 WeakPolarHBondContact O-CB 3.14Å; Y77-C80 PolarHBondContact O-N 3.26Å; Y77-C80 VanDerWaalsContact O-N 3.08Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.43Å; Y77-Y81 WeakPolarHBondContact O-CE2 3.45Å
78	W	98.3	Very high	97.4	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.011	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-54.7	-40.4	177.7	-70.2	-9.8	0	0	0	112.2	L23 G24 G69 R75 C80 Y81 Y82 Y90 E106	L23-W78 HydrophobicContact CD2-CB 4.02Å; L23-W78 HydrophobicContact CD2-CD2 3.23Å; L23-W78 HydrophobicContact CD2-CE3 3.66Å; L23-W78 HydrophobicContact CD2-CG 3.42Å; L23-W78 VanDerWaalsContact CD2-CG 3.42Å; L23-W78 HydrophobicContact CD2-CH2 4.28Å; L23-W78 HydrophobicContact CD2-CZ2 3.92Å; L23-W78 HydrophobicContact CD2-CZ3 4.14Å; G24-W78 WeakPolarHBondContact O-CZ2 3.34Å; G69-W78 PolarHBondContact O-NE1 2.83Å; R75-W78 HydrophobicContact CB-CD2 4.11Å; R75-W78 HydrophobicContact CB-CE3 4.42Å; R75-W78 HydrophobicContact CB-CZ2 4.19Å; R75-W78 HydrophobicContact CG-CD2 4.47Å; R75-W78 HydrophobicContact CG-CH2 4.09Å; R75-W78 HydrophobicContact CG-CZ2 3.65Å; R75-W78 WeakPolarHBondContact O-CB 3.32Å; R75-W78 PolarHBondContact O-N 2.86Å; W78-C80 PolarHBondContact O-N 3.39Å; W78-C80 VanDerWaalsContact O-N 3.11Å; W78-Y81 PolarHBondContact O-N 2.82Å; W78-Y82 VanDerWaalsContact C-CE1 3.42Å; W78-Y82 HydrophobicContact CB-CE1 3.84Å; W78-Y82 VanDerWaalsContact CB-OH 3.27Å; W78-Y82 WeakPolarHBondContact CB-OH 3.13Å; W78-Y82 VanDerWaalsContact O-CD1 3.28Å; W78-Y82 WeakPolarHBondContact O-CD1 3.33Å; W78-Y82 WeakPolarHBondContact O-CE1 2.9Å; W78-Y90 HydrophobicContact CH2-CE2 4.43Å; W78-Y90 HydrophobicContact CZ3-CE2 4.32Å; W78-E106 HydrophobicContact CH2-CB 4.31Å; W78-E106 HydrophobicContact CZ3-CB 3.88Å
79	R	97.9	Very high	97.4	Very high	154 Å²	154	50.2 Å²	50.2	58%	0.581	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-57	-26	178.8	67.2	-176.3	178.2	177.1	2.4	115.1	P76 Y77 Y81 Y82	P76-R79 PolarHBondContact O-NE 2.8Å; Y77-R79 PolarHBondContact O-N 3Å; R79-Y81 PolarHBondContact O-N 2.8Å; R79-Y81 VanDerWaalsContact O-N 3.08Å; R79-Y82 VanDerWaalsContact CA-CD2 3.47Å; R79-Y82 HydrophobicContact CB-CD2 3.91Å; R79-Y82 HydrophobicContact CB-CE2 3.64Å; R79-Y82 PolarHBondContact O-N 2.86Å
80	C	97.2	Very high	97.5	Very high	85 Å²	85	50.1 Å²	50.1	57%	0.574	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-65.2	-12.9	176.7	-59.4	0	0	0	0	113.1	Y77 W78	Y77-C80 VanDerWaalsContact O-CB 3.31Å; Y77-C80 WeakPolarHBondContact O-CB 3.14Å; Y77-C80 PolarHBondContact O-N 3.26Å; Y77-C80 VanDerWaalsContact O-N 3.08Å; W78-C80 PolarHBondContact O-N 3.39Å; W78-C80 VanDerWaalsContact O-N 3.11Å
81	Y	97.8	Very high	97.5	Very high	56 Å²	56	50.1 Å²	50.1	22%	0.22	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-115.5	0.8	-174.5	-54.8	-80.9	0	0	0	114	R19 F51 W66 L68 Y77 W78 R79 S83	R19-Y81 PolarHBondContact NH2-O 3.46Å; R19-Y81 VanDerWaalsContact NH2-O 3.11Å; F51-Y81 AromaticContact CD1-CE1 3.66Å; F51-Y81 HydrophobicContact CD1-CE1 3.66Å; F51-Y81 AromaticContact CD1-CZ 3.58Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.35Å; F51-Y81 AromaticContact CE1-CE1 3.76Å; F51-Y81 HydrophobicContact CE1-CE1 3.76Å; F51-Y81 AromaticContact CE1-CZ 3.93Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.32Å; F51-Y81 HydrophobicContact CG-CE1 4.11Å; F51-Y81 HydrophobicContact CZ-CE1 4.3Å; W66-Y81 AromaticContact CE3-CD1 3.74Å; W66-Y81 HydrophobicContact CE3-CD1 3.74Å; W66-Y81 HydrophobicContact CE3-CE1 4.31Å; W66-Y81 AromaticContact CZ3-CD1 3.69Å; W66-Y81 HydrophobicContact CZ3-CD1 3.69Å; W66-Y81 AromaticContact CZ3-CE1 3.99Å; W66-Y81 HydrophobicContact CZ3-CE1 3.99Å; L68-Y81 HydrophobicContact CD1-CD2 3.97Å; L68-Y81 HydrophobicContact CD1-CG 4.21Å; L68-Y81 HydrophobicContact CD2-CD1 4.44Å; L68-Y81 HydrophobicContact CD2-CD2 3.89Å; L68-Y81 HydrophobicContact CD2-CE2 4.31Å; L68-Y81 HydrophobicContact CD2-CG 3.98Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.43Å; Y77-Y81 WeakPolarHBondContact O-CE2 3.45Å; W78-Y81 PolarHBondContact O-N 2.82Å; R79-Y81 PolarHBondContact O-N 2.8Å; R79-Y81 VanDerWaalsContact O-N 3.08Å; Y81-S83 PolarHBondContact O-N 3.18Å
82	Y	98.3	Very high	97.6	Very high	9 Å²	9	48.5 Å²	48.5	4%	0.035	26%	0.258	C	S	.	.			trans	-69.6	-30	-172.9	-68.5	-10.3	0	0	0	114.5	L21 L23 W78 R79 N84 T85 M110 E113 L116	L21-Y82 HydrophobicContact CD1-CD1 3.6Å; L21-Y82 HydrophobicContact CD1-CE1 4.23Å; L23-Y82 HydrophobicContact CD1-CE1 3.92Å; W78-Y82 VanDerWaalsContact C-CE1 3.42Å; W78-Y82 HydrophobicContact CB-CE1 3.84Å; W78-Y82 VanDerWaalsContact CB-OH 3.27Å; W78-Y82 WeakPolarHBondContact CB-OH 3.13Å; W78-Y82 VanDerWaalsContact O-CD1 3.28Å; W78-Y82 WeakPolarHBondContact O-CD1 3.33Å; W78-Y82 WeakPolarHBondContact O-CE1 2.9Å; R79-Y82 VanDerWaalsContact CA-CD2 3.47Å; R79-Y82 HydrophobicContact CB-CD2 3.91Å; R79-Y82 HydrophobicContact CB-CE2 3.64Å; R79-Y82 PolarHBondContact O-N 2.86Å; Y82-N84 PolarHBondContact O-N 2.83Å; Y82-T85 VanDerWaalsContact O-CB 3.29Å; Y82-T85 WeakPolarHBondContact O-CB 3.42Å; Y82-T85 PolarHBondContact O-N 3.18Å; Y82-T85 PolarHBondContact O-OG1 3.29Å; Y82-M110 HydrophobicContact CE1-CG 4.07Å; Y82-M110 HydrophobicContact CE2-CG 4.29Å; Y82-M110 WeakPolarHBondContact OH-CG 3.21Å; Y82-E113 HydrophobicContact CD2-CB 3.82Å; Y82-E113 HydrophobicContact CD2-CG 4.03Å; Y82-E113 HydrophobicContact CE2-CB 4.02Å; Y82-E113 HydrophobicContact CE2-CG 3.75Å; Y82-L116 HydrophobicContact CD1-CD1 3.8Å; Y82-L116 HydrophobicContact CD1-CD2 4.42Å; Y82-L116 HydrophobicContact CD1-CG 4.28Å; Y82-L116 HydrophobicContact CD2-CD1 3.89Å; Y82-L116 HydrophobicContact CD2-CG 4.13Å; Y82-L116 HydrophobicContact CE1-CD1 3.98Å; Y82-L116 HydrophobicContact CE2-CD1 4.12Å; Y82-L116 HydrophobicContact CG-CD1 3.75Å; Y82-L116 HydrophobicContact CG-CD2 4.25Å; Y82-L116 HydrophobicContact CG-CG 3.86Å
83	S	96.4	Very high	97.6	Very high	59 Å²	59	44.4 Å²	44.4	41%	0.413	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	139.7	-176.5	-48.8	0	0	0	0	112.4	R19 Y81 T85	R19-S83 PolarHBondContact NE-O 2.91Å; Y81-S83 PolarHBondContact O-N 3.18Å; S83-T85 PolarHBondContact O-N 2.8Å
84	N	94.5	Very high	97.7	Very high	139 Å²	139	40.1 Å²	40.1	74%	0.743	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	18.3	177.8	-52.1	-53.3	0	0	0	115.5	R19 Y82 D86	R19-N84 WeakPolarHBondContact CB-O 3.29Å; R19-N84 WeakPolarHBondContact CD-O 3.33Å; Y82-N84 PolarHBondContact O-N 2.83Å; N84-D86 PolarHBondContact O-N 2.97Å
85	T	97.6	Very high	97.8	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	21%	0.207	C	C	.	.			trans	-74	121.9	178.3	-60	0	0	0	0	111.7	L21 Y82 S83 A87 V88 L116 A119	L21-T85 HydrophobicContact CB-CG2 4.31Å; L21-T85 HydrophobicContact CD1-CG2 4.04Å; L21-T85 VanDerWaalsContact CD1-OG1 3.31Å; L21-T85 WeakPolarHBondContact CD1-OG1 3.43Å; L21-T85 HydrophobicContact CG-CG2 3.75Å; L21-T85 WeakPolarHBondContact CG-OG1 3.48Å; Y82-T85 VanDerWaalsContact O-CB 3.29Å; Y82-T85 WeakPolarHBondContact O-CB 3.42Å; Y82-T85 PolarHBondContact O-N 3.18Å; Y82-T85 PolarHBondContact O-OG1 3.29Å; S83-T85 PolarHBondContact O-N 2.8Å; T85-A87 WeakPolarHBondContact CG2-O 3.39Å; T85-V88 HydrophobicContact CG2-CG2 3.92Å; T85-L116 HydrophobicContact CG2-CD2 3.86Å; T85-A119 HydrophobicContact CG2-CB 4.29Å
86	D	96.3	Very high	97.8	Very high	29 Å²	29	41.1 Å²	41.1	16%	0.155	21%	0.212	C	C	.	.	S	Bend	trans	-81.6	-36.6	175.7	-62.6	-69.1	0	0	0	111.5	R16 M18 R19 N84 A119 I120 L177	R16-D86 IonicContact NH2-OD1 3.22Å; R16-D86 PolarHBondContact NH2-OD1 3.27Å; M18-D86 WeakPolarHBondContact CA-OD2 3.32Å; M18-D86 HydrophobicContact CE-CB 4.39Å; R19-D86 PolarHBondContact N-OD2 3.29Å; R19-D86 PolarHBondContact O-N 3.03Å; N84-D86 PolarHBondContact O-N 2.97Å; D86-A119 WeakPolarHBondContact O-CA 2.99Å; D86-I120 PolarHBondContact O-N 2.91Å; D86-I120 VanDerWaalsContact O-N 3.1Å; D86-L177 HydrophobicContact CB-CD2 4.09Å
87	A	98.3	Very high	97.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	150.7	176.9	0	0	0	0	0	113.2	R19 I20 L21 T85 I120 L173	R19-A87 PolarHBondContact O-N 3.22Å; I20-A87 VanDerWaalsContact CA-O 3.3Å; I20-A87 WeakPolarHBondContact CA-O 3.5Å; I20-A87 HydrophobicContact CG1-CB 4.43Å; L21-A87 PolarHBondContact N-O 3.4Å; T85-A87 WeakPolarHBondContact CG2-O 3.39Å; A87-I120 CarbonylContact C-O 3.57Å; A87-I120 VanDerWaalsContact CA-O 3.31Å; A87-I120 WeakPolarHBondContact CA-O 3.43Å; A87-I120 HydrophobicContact CB-CB 4.02Å; A87-L173 HydrophobicContact CB-CD1 3.64Å; A87-L173 HydrophobicContact CB-CD2 4.49Å
88	V	98.8	Very high	97.9	Very high	2 Å²	2	43 Å²	43	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.9	171	177.7	0	0	0	0	108.7	L21 L23 T85 M110 L116 A119 I120 L121 V122	L21-V88 HydrophobicContact CB-CG2 4.43Å; L21-V88 CarbonylContact O-C 3.59Å; L21-V88 WeakPolarHBondContact O-CA 3.4Å; L23-V88 HydrophobicContact CB-CG1 4.45Å; L23-V88 HydrophobicContact CD1-CG1 4.26Å; T85-V88 HydrophobicContact CG2-CG2 3.92Å; V88-M110 HydrophobicContact CG1-CE 3.74Å; V88-M110 HydrophobicContact CG1-SD 3.96Å; V88-L116 HydrophobicContact CG2-CD1 4.19Å; V88-L116 HydrophobicContact CG2-CD2 3.93Å; V88-A119 HydrophobicContact CG2-CB 4.23Å; V88-I120 PolarHBondContact N-O 2.86Å; V88-L121 HydrophobicContact CB-CD1 4.4Å; V88-L121 HydrophobicContact CG1-CD1 4.33Å; V88-V122 PolarHBondContact O-N 2.83Å
89	I	98.9	Very high	97.9	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.4	163.6	-60.2	175.8	0	0	0	107.1	I20 L21 I22 L23 V91 V122 F124 M170 L173	I20-I89 HydrophobicContact CG2-CD1 3.8Å; I20-I89 HydrophobicContact CG2-CG1 3.83Å; L21-I89 PolarHBondContact O-N 2.98Å; I22-I89 WeakPolarHBondContact CA-O 3.14Å; I22-I89 HydrophobicContact CD1-CD1 4.44Å; I22-I89 HydrophobicContact CG1-CB 4.16Å; I22-I89 HydrophobicContact CG1-CD1 4.37Å; I22-I89 HydrophobicContact CG2-CG2 4.48Å; L23-I89 PolarHBondContact N-O 3.41Å; I89-V91 HydrophobicContact CG2-CG2 4Å; I89-V122 CarbonylContact C-O 3.44Å; I89-V122 VanDerWaalsContact CA-O 3.32Å; I89-V122 WeakPolarHBondContact CA-O 3.4Å; I89-V122 HydrophobicContact CG1-CB 4.28Å; I89-F124 HydrophobicContact CD1-CE2 4.35Å; I89-F124 HydrophobicContact CD1-CZ 4.37Å; I89-F124 HydrophobicContact CG2-CD1 4.35Å; I89-F124 HydrophobicContact CG2-CD2 3.47Å; I89-F124 VanDerWaalsContact CG2-CD2 3.47Å; I89-F124 HydrophobicContact CG2-CE1 4.36Å; I89-F124 HydrophobicContact CG2-CE2 3.53Å; I89-F124 HydrophobicContact CG2-CG 3.93Å; I89-F124 HydrophobicContact CG2-CZ 3.99Å; I89-M170 HydrophobicContact CD1-SD 4.36Å; I89-L173 HydrophobicContact CD1-CD2 4.45Å
90	Y	98.9	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.4	176.5	-163.6	-101.5	0	0	0	110.2	L23 W78 V92 S103 L107 M110 V122 V123 F124	L23-Y90 HydrophobicContact CB-CD2 3.94Å; L23-Y90 HydrophobicContact CB-CE2 4.35Å; L23-Y90 CarbonylContact O-C 3.51Å; L23-Y90 WeakPolarHBondContact O-CA 3.49Å; W78-Y90 HydrophobicContact CH2-CE2 4.43Å; W78-Y90 HydrophobicContact CZ3-CE2 4.32Å; Y90-V92 HydrophobicContact CD1-CG2 3.65Å; Y90-V92 HydrophobicContact CE1-CG2 3.69Å; Y90-S103 WeakPolarHBondContact CE1-OG 3.36Å; Y90-S103 PolarHBondContact OH-O 3.42Å; Y90-S103 PolarHBondContact OH-OG 3.2Å; Y90-L107 HydrophobicContact CD1-CB 4.3Å; Y90-L107 HydrophobicContact CD1-CD1 3.89Å; Y90-L107 HydrophobicContact CD1-CD2 4.22Å; Y90-L107 HydrophobicContact CD1-CG 4.37Å; Y90-L107 HydrophobicContact CD2-CD1 3.97Å; Y90-L107 HydrophobicContact CE1-CB 3.79Å; Y90-L107 HydrophobicContact CE1-CD1 4.24Å; Y90-L107 HydrophobicContact CE1-CD2 4.33Å; Y90-L107 HydrophobicContact CE1-CG 4.34Å; Y90-L107 HydrophobicContact CE2-CB 4.27Å; Y90-L107 HydrophobicContact CE2-CD1 4.33Å; Y90-L107 HydrophobicContact CG-CD1 3.74Å; Y90-M110 HydrophobicContact CD2-CE 4.04Å; Y90-M110 HydrophobicContact CD2-SD 4.35Å; Y90-V122 PolarHBondContact N-O 2.79Å; Y90-V123 CarbonylContact O-C 3.58Å; Y90-V123 WeakPolarHBondContact O-CA 3.42Å; Y90-F124 PolarHBondContact O-N 2.84Å
91	V	98.9	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.7	-173.7	-170.1	0	0	0	0	110.1	I22 L23 A28 K30 I33 I89 F124 N126	I22-V91 HydrophobicContact CG2-CG2 3.72Å; L23-V91 PolarHBondContact O-N 3.47Å; A28-V91 HydrophobicContact CB-CB 4.37Å; A28-V91 HydrophobicContact CB-CG1 4.1Å; A28-V91 WeakPolarHBondContact CB-O 3.36Å; A28-V91 WeakPolarHBondContact O-CG1 3.19Å; K30-V91 HydrophobicContact CG-CB 3.79Å; K30-V91 HydrophobicContact CG-CG1 4.45Å; K30-V91 HydrophobicContact CG-CG2 3.83Å; I33-V91 HydrophobicContact CD1-CG1 3.72Å; I33-V91 HydrophobicContact CD1-CG2 4.12Å; I89-V91 HydrophobicContact CG2-CG2 4Å; V91-F124 HydrophobicContact CB-CB 4.49Å; V91-F124 HydrophobicContact CG1-CB 4.26Å; V91-F124 HydrophobicContact CG2-CB 4.27Å; V91-F124 HydrophobicContact CG2-CD2 4.3Å; V91-N126 HydrophobicContact CG1-CB 3.79Å
92	V	98.9	Very high	98.1	Very high	6 Å²	6	39 Å²	39	4%	0.036	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.5	-179.2	-174.5	0	0	0	0	109.2	Y90 S94 I100 V123 F124 N126 M139 L143	Y90-V92 HydrophobicContact CD1-CG2 3.65Å; Y90-V92 HydrophobicContact CE1-CG2 3.69Å; V92-S94 PolarHBondContact O-N 2.88Å; V92-I100 HydrophobicContact CG1-CD1 3.74Å; V92-V123 HydrophobicContact CG2-CG1 4.42Å; V92-F124 PolarHBondContact N-O 2.81Å; V92-N126 PolarHBondContact O-N 3.2Å; V92-M139 HydrophobicContact CB-CE 4.06Å; V92-M139 HydrophobicContact CB-SD 3.72Å; V92-M139 HydrophobicContact CG1-CE 3.76Å; V92-M139 HydrophobicContact CG1-SD 3.86Å; V92-M139 HydrophobicContact CG2-SD 4.42Å; V92-L143 HydrophobicContact CG2-CD1 3.92Å; V92-L143 HydrophobicContact CG2-CD2 4.35Å
93	D	98.6	Very high	98.1	Very high	20 Å²	20	38.7 Å²	38.7	11%	0.107	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	117.1	170.7	-173.8	-20.4	0	0	0	109.4	C95 D96 K127	D93-C95 PolarHBondContact O-N 3.31Å; D93-C95 WeakPolarHBondContact OD1-CB 3.49Å; D93-C95 PolarHBondContact OD1-N 3.28Å; D93-D96 HydrophobicContact CB-CB 3.68Å; D93-D96 PolarHBondContact O-N 2.92Å; D93-K127 WeakPolarHBondContact OD1-CD 3.32Å; D93-K127 VanDerWaalsContact OD2-CE 3.25Å; D93-K127 WeakPolarHBondContact OD2-CE 3.38Å; D93-K127 IonicContact OD2-NZ 3.93Å; D93-K127 PolarHBondContact OD2-NZ 3.08Å
94	S	98.7	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.4	-178.7	-52.7	0	0	0	0	113.5	V92 A125 N126 Q128 M134 M139	V92-S94 PolarHBondContact O-N 2.88Å; S94-A125 VanDerWaalsContact OG-C 3.26Å; S94-N126 WeakPolarHBondContact CB-O 3.49Å; S94-N126 PolarHBondContact N-O 2.69Å; S94-N126 PolarHBondContact OG-N 3.18Å; S94-N126 PolarHBondContact OG-O 3.42Å; S94-Q128 VanDerWaalsContact CB-NE2 3.31Å; S94-Q128 PolarHBondContact OG-NE2 3.06Å; S94-M134 WeakPolarHBondContact O-CB 3.09Å; S94-M134 VanDerWaalsContact O-CE 3.31Å; S94-M134 WeakPolarHBondContact O-CE 3.12Å; S94-M134 WeakPolarHBondContact O-CG 3.24Å; S94-M134 PolarHBondContact O-N 3.49Å; S94-M139 VanDerWaalsContact CA-CE 3.49Å; S94-M139 WeakPolarHBondContact OG-CE 3.42Å
95	C	98.2	Very high	98.4	Very high	36 Å²	36	37 Å²	37	24%	0.243	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-11.8	178.3	-62.3	0	0	0	0	112.6	D93 R97 M130 E131	D93-C95 PolarHBondContact O-N 3.31Å; D93-C95 WeakPolarHBondContact OD1-CB 3.49Å; D93-C95 PolarHBondContact OD1-N 3.28Å; C95-R97 VanDerWaalsContact C-N 3.33Å; C95-R97 PolarHBondContact O-N 2.93Å; C95-M130 WeakPolarHBondContact SG-CB 3.29Å; C95-E131 PolarHBondContact SG-O 3.4Å
96	D	98	Very high	98.5	Very high	30 Å²	30	38.8 Å²	38.8	16%	0.16	21%	0.207	C	C	.	.			trans	-88.3	69.4	-177.3	-165.6	-13.4	0	0	0	112	D93 D98 R99 I100	D93-D96 HydrophobicContact CB-CB 3.68Å; D93-D96 PolarHBondContact O-N 2.92Å; D96-D98 VanDerWaalsContact C-N 3.27Å; D96-D98 PolarHBondContact O-N 2.88Å; D96-R99 WeakPolarHBondContact OD1-CB 3.38Å; D96-R99 WeakPolarHBondContact OD1-CG 3.3Å; D96-R99 PolarHBondContact OD1-N 3.32Å; D96-R99 VanDerWaalsContact OD1-N 3.08Å; D96-R99 IonicContact OD1-NE 3.82Å; D96-R99 IonicContact OD2-CZ 2.69Å; D96-R99 IonicContact OD2-NE 3.38Å; D96-R99 PolarHBondContact OD2-NE 3.13Å; D96-R99 IonicContact OD2-NH2 2.82Å; D96-R99 PolarHBondContact OD2-NH2 2.93Å; D96-I100 PolarHBondContact O-N 3.05Å
97	R	97.8	Very high	98.6	Very high	104 Å²	104	37.5 Å²	37.5	39%	0.392	20%	0.2	S	C	.	.			trans	-65.4	-31.8	179	-67.7	173	170.7	-79.1	-3.6	112	C95 R99 I100 M134 E138	C95-R97 VanDerWaalsContact C-N 3.33Å; C95-R97 PolarHBondContact O-N 2.93Å; R97-R99 PolarHBondContact O-N 3.11Å; R97-I100 WeakPolarHBondContact O-CG2 3.3Å; R97-I100 PolarHBondContact O-N 3.29Å; R97-M134 HydrophobicContact CG-CE 4.2Å; R97-M134 HydrophobicContact CG-CG 4.13Å; R97-M134 HydrophobicContact CG-SD 4.09Å; R97-M134 VanDerWaalsContact CZ-CG 3.43Å; R97-E138 IonicContact CZ-OE1 3.39Å; R97-E138 IonicContact CZ-OE2 3.94Å; R97-E138 IonicContact NH1-OE1 2.64Å; R97-E138 PolarHBondContact NH1-OE1 2.83Å; R97-E138 IonicContact NH1-OE2 3.9Å; R97-E138 IonicContact NH2-OE1 3.25Å; R97-E138 PolarHBondContact NH2-OE1 3.04Å; R97-E138 IonicContact NH2-OE2 3.1Å; R97-E138 PolarHBondContact NH2-OE2 2.82Å; R97-E138 VanDerWaalsContact NH2-OE2 3.1Å
98	D	98.2	Very high	98.6	Very high	157 Å²	157	40.3 Å²	40.3	84%	0.84	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-36.4	-177.4	-65.4	-21	0	0	0	112.1	D96	D96-D98 VanDerWaalsContact C-N 3.27Å; D96-D98 PolarHBondContact O-N 2.88Å
99	R	98.5	Very high	98.5	Very high	69 Å²	69	42.5 Å²	42.5	26%	0.26	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7.4	-178.5	-56	-170.6	-65.1	165.3	6.6	113.9	L25 D26 D96 R97 G101 I102 S103	L25-R99 HydrophobicContact CD1-CB 3.78Å; D26-R99 PolarHBondContact O-NH2 3.42Å; D26-R99 IonicContact OD1-NH1 2.61Å; D26-R99 PolarHBondContact OD1-NH1 2.7Å; D26-R99 IonicContact OD2-CZ 2.67Å; D26-R99 IonicContact OD2-NH1 3.29Å; D26-R99 PolarHBondContact OD2-NH1 2.89Å; D26-R99 IonicContact OD2-NH2 3.61Å; D96-R99 WeakPolarHBondContact OD1-CB 3.38Å; D96-R99 WeakPolarHBondContact OD1-CG 3.3Å; D96-R99 PolarHBondContact OD1-N 3.32Å; D96-R99 VanDerWaalsContact OD1-N 3.08Å; D96-R99 IonicContact OD1-NE 3.82Å; D96-R99 IonicContact OD2-CZ 2.69Å; D96-R99 IonicContact OD2-NE 3.38Å; D96-R99 PolarHBondContact OD2-NE 3.13Å; D96-R99 IonicContact OD2-NH2 2.82Å; D96-R99 PolarHBondContact OD2-NH2 2.93Å; R97-R99 PolarHBondContact O-N 3.11Å; R99-G101 VanDerWaalsContact C-N 3.26Å; R99-G101 PolarHBondContact O-N 3.41Å; R99-I102 HydrophobicContact CB-CD1 4.27Å; R99-I102 HydrophobicContact CG-CD1 4.23Å; R99-I102 WeakPolarHBondContact O-CB 3.34Å; R99-I102 PolarHBondContact O-N 3.02Å; R99-I102 VanDerWaalsContact O-N 3.08Å; R99-S103 PolarHBondContact O-N 3.05Å
100	I	98.5	Very high	98.5	Very high	27 Å²	27	42.4 Å²	42.4	14%	0.138	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-35.3	179.8	-165.4	57.4	0	0	0	112.6	V92 D96 R97 S103 K104 M134 L143	V92-I100 HydrophobicContact CG1-CD1 3.74Å; D96-I100 PolarHBondContact O-N 3.05Å; R97-I100 WeakPolarHBondContact O-CG2 3.3Å; R97-I100 PolarHBondContact O-N 3.29Å; I100-S103 WeakPolarHBondContact O-CB 3.37Å; I100-S103 PolarHBondContact O-N 3.47Å; I100-K104 PolarHBondContact O-N 2.9Å; I100-M134 HydrophobicContact CD1-CE 4.13Å; I100-M134 HydrophobicContact CG1-CE 4.33Å; I100-M134 HydrophobicContact CG1-SD 4.42Å; I100-L143 HydrophobicContact CD1-CD2 3.85Å; I100-L143 HydrophobicContact CD1-CG 4.23Å
101	G	98.6	Very high	98.4	Very high	42 Å²	42	43.1 Å²	43.1	43%	0.433	24%	0.239	S	C	.	.	H	α-helix	trans	-64	-40.6	175.1	0	0	0	0	0	112.4	R99 K104 S105	R99-G101 VanDerWaalsContact C-N 3.26Å; R99-G101 PolarHBondContact O-N 3.41Å; G101-K104 WeakPolarHBondContact O-CB 3.38Å; G101-K104 PolarHBondContact O-N 3.3Å; G101-S105 PolarHBondContact O-N 3.21Å; G101-S105 PolarHBondContact O-OG 2.97Å
102	I	98.8	Very high	98.3	Very high	76 Å²	76	50.3 Å²	50.3	39%	0.39	27%	0.272	S	S	.	.	H	α-helix	trans	-65	-47.3	174.6	-57.4	172.6	0	0	0	109.4	L25 R75 R99 K104 S105 E106	L25-I102 HydrophobicContact CD1-CB 4.31Å; L25-I102 HydrophobicContact CD1-CG2 4.28Å; L25-I102 HydrophobicContact CD2-CG2 4.12Å; R75-I102 VanDerWaalsContact NH1-CG2 3.29Å; R99-I102 HydrophobicContact CB-CD1 4.27Å; R99-I102 HydrophobicContact CG-CD1 4.23Å; R99-I102 WeakPolarHBondContact O-CB 3.34Å; R99-I102 PolarHBondContact O-N 3.02Å; R99-I102 VanDerWaalsContact O-N 3.08Å; I102-K104 VanDerWaalsContact C-N 3.26Å; I102-K104 PolarHBondContact O-N 2.59Å; I102-S105 PolarHBondContact O-N 3.34Å; I102-S105 VanDerWaalsContact O-N 3.09Å; I102-E106 HydrophobicContact CG2-CG 4.29Å; I102-E106 VanDerWaalsContact O-CG 3.3Å; I102-E106 WeakPolarHBondContact O-CG 3.44Å; I102-E106 PolarHBondContact O-N 3.27Å
103	S	98.8	Very high	98.3	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-39.9	177.7	-169.9	0	0	0	0	112.2	Y90 R99 I100 L107	Y90-S103 WeakPolarHBondContact CE1-OG 3.36Å; Y90-S103 PolarHBondContact OH-O 3.42Å; Y90-S103 PolarHBondContact OH-OG 3.2Å; R99-S103 PolarHBondContact O-N 3.05Å; I100-S103 WeakPolarHBondContact O-CB 3.37Å; I100-S103 PolarHBondContact O-N 3.47Å; S103-L107 VanDerWaalsContact O-CB 3.32Å; S103-L107 WeakPolarHBondContact O-CB 3.29Å; S103-L107 PolarHBondContact O-N 2.78Å
104	K	98.8	Very high	98.2	Very high	83 Å²	83	59.4 Å²	59.4	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-50.4	172.9	-178.1	-167.9	-166.4	164.5	0	111.9	I100 G101 I102 E106 L107 V108 S142 L143	I100-K104 PolarHBondContact O-N 2.9Å; G101-K104 WeakPolarHBondContact O-CB 3.38Å; G101-K104 PolarHBondContact O-N 3.3Å; I102-K104 VanDerWaalsContact C-N 3.26Å; I102-K104 PolarHBondContact O-N 2.59Å; K104-E106 VanDerWaalsContact C-N 3.3Å; K104-E106 PolarHBondContact O-N 3.05Å; K104-L107 PolarHBondContact O-N 3.22Å; K104-V108 HydrophobicContact CG-CG2 4.28Å; K104-V108 WeakPolarHBondContact O-CG2 3.35Å; K104-V108 PolarHBondContact O-N 2.93Å; K104-S142 VanDerWaalsContact CD-O 3.26Å; K104-S142 WeakPolarHBondContact CD-O 3.3Å; K104-L143 HydrophobicContact CB-CD2 4.36Å
105	S	98.6	Very high	98.1	Very high	80 Å²	80	63.9 Å²	63.9	56%	0.559	34%	0.335	S	S	*	.	H	α-helix	trans	-58.1	-43.9	-178.6	-68	0	0	0	0	112	G101 I102 V108 A109	G101-S105 PolarHBondContact O-N 3.21Å; G101-S105 PolarHBondContact O-OG 2.97Å; I102-S105 PolarHBondContact O-N 3.34Å; I102-S105 VanDerWaalsContact O-N 3.09Å; S105-V108 PolarHBondContact O-N 2.87Å; S105-A109 VanDerWaalsContact O-CB 3.32Å; S105-A109 WeakPolarHBondContact O-CB 3.3Å; S105-A109 PolarHBondContact O-N 2.81Å
106	E	98.7	Very high	98.1	Very high	48 Å²	48	62.2 Å²	62.2	22%	0.224	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-41.5	177	-61.2	-69.9	178.3	0	0	112	L25 R75 W78 I102 K104 M110	L25-E106 HydrophobicContact CD2-CG 4.04Å; R75-E106 VanDerWaalsContact CD-CD 3.42Å; R75-E106 WeakPolarHBondContact CD-OE1 3.38Å; R75-E106 IonicContact NH1-OE1 3.06Å; R75-E106 PolarHBondContact NH1-OE1 3Å; W78-E106 HydrophobicContact CH2-CB 4.31Å; W78-E106 HydrophobicContact CZ3-CB 3.88Å; I102-E106 HydrophobicContact CG2-CG 4.29Å; I102-E106 VanDerWaalsContact O-CG 3.3Å; I102-E106 WeakPolarHBondContact O-CG 3.44Å; I102-E106 PolarHBondContact O-N 3.27Å; K104-E106 VanDerWaalsContact C-N 3.3Å; K104-E106 PolarHBondContact O-N 3.05Å; E106-M110 VanDerWaalsContact O-CB 3.24Å; E106-M110 WeakPolarHBondContact O-CB 3.44Å; E106-M110 PolarHBondContact O-N 3.45Å
107	L	98.8	Very high	98	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-61.2	-47.8	175.5	176.8	61.2	0	0	0	111.5	Y90 S103 K104 M110 L111 L121 L143 L145	Y90-L107 HydrophobicContact CD1-CB 4.3Å; Y90-L107 HydrophobicContact CD1-CD1 3.89Å; Y90-L107 HydrophobicContact CD1-CD2 4.22Å; Y90-L107 HydrophobicContact CD1-CG 4.37Å; Y90-L107 HydrophobicContact CD2-CD1 3.97Å; Y90-L107 HydrophobicContact CE1-CB 3.79Å; Y90-L107 HydrophobicContact CE1-CD1 4.24Å; Y90-L107 HydrophobicContact CE1-CD2 4.33Å; Y90-L107 HydrophobicContact CE1-CG 4.34Å; Y90-L107 HydrophobicContact CE2-CB 4.27Å; Y90-L107 HydrophobicContact CE2-CD1 4.33Å; Y90-L107 HydrophobicContact CG-CD1 3.74Å; S103-L107 VanDerWaalsContact O-CB 3.32Å; S103-L107 WeakPolarHBondContact O-CB 3.29Å; S103-L107 PolarHBondContact O-N 2.78Å; K104-L107 PolarHBondContact O-N 3.22Å; L107-M110 HydrophobicContact CD1-CE 3.59Å; L107-M110 PolarHBondContact O-N 3.13Å; L107-L111 HydrophobicContact CD1-CD1 3.73Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CG-CD1 3.94Å; L107-L111 WeakPolarHBondContact O-CB 3.21Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.81Å; L107-L121 HydrophobicContact CD1-CD1 4.15Å; L107-L121 HydrophobicContact CD1-CD2 4.31Å; L107-L143 HydrophobicContact CD2-CB 4.05Å; L107-L143 HydrophobicContact CD2-CD1 4.38Å; L107-L143 HydrophobicContact CD2-CD2 4.26Å; L107-L143 HydrophobicContact CD2-CG 4.46Å; L107-L145 HydrophobicContact CD2-CD2 3.7Å
108	V	98.1	Very high	97.8	Very high	59 Å²	59	72.3 Å²	72.3	36%	0.358	36%	0.364	S	S	.	.	H	α-helix	trans	-64.2	-49.9	-179.3	172	0	0	0	0	110.3	K104 S105 M110 L111 E112	K104-V108 HydrophobicContact CG-CG2 4.28Å; K104-V108 WeakPolarHBondContact O-CG2 3.35Å; K104-V108 PolarHBondContact O-N 2.93Å; S105-V108 PolarHBondContact O-N 2.87Å; V108-M110 VanDerWaalsContact C-N 3.28Å; V108-M110 PolarHBondContact O-N 2.92Å; V108-L111 PolarHBondContact O-N 2.95Å; V108-L111 VanDerWaalsContact O-N 3.07Å; V108-E112 WeakPolarHBondContact O-CG 3.44Å; V108-E112 PolarHBondContact O-N 3.43Å; V108-E112 VanDerWaalsContact O-N 3.13Å
109	A	97.8	Very high	97.7	Very high	48 Å²	48	64.9 Å²	64.9	40%	0.397	32%	0.324	S	S	.	.	H	α-helix	trans	-57.4	-42.5	178.8	0	0	0	0	0	111.9	S105 E112	S105-A109 VanDerWaalsContact O-CB 3.32Å; S105-A109 WeakPolarHBondContact O-CB 3.3Å; S105-A109 PolarHBondContact O-N 2.81Å; A109-E112 PolarHBondContact O-N 3.37Å
110	M	98.2	Very high	97.7	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-43.2	175.1	173.3	-168.3	78.5	0	0	112.4	L23 Y82 V88 Y90 E106 L107 V108 E112 E113 L116	L23-M110 HydrophobicContact CB-SD 4.19Å; L23-M110 HydrophobicContact CD1-CG 4.45Å; L23-M110 HydrophobicContact CD1-SD 3.35Å; L23-M110 WeakPolarHBondContact CD1-SD 3.41Å; L23-M110 HydrophobicContact CG-SD 4.33Å; Y82-M110 HydrophobicContact CE1-CG 4.07Å; Y82-M110 HydrophobicContact CE2-CG 4.29Å; Y82-M110 WeakPolarHBondContact OH-CG 3.21Å; V88-M110 HydrophobicContact CG1-CE 3.74Å; V88-M110 HydrophobicContact CG1-SD 3.96Å; Y90-M110 HydrophobicContact CD2-CE 4.04Å; Y90-M110 HydrophobicContact CD2-SD 4.35Å; E106-M110 VanDerWaalsContact O-CB 3.24Å; E106-M110 WeakPolarHBondContact O-CB 3.44Å; E106-M110 PolarHBondContact O-N 3.45Å; L107-M110 HydrophobicContact CD1-CE 3.59Å; L107-M110 PolarHBondContact O-N 3.13Å; V108-M110 VanDerWaalsContact C-N 3.28Å; V108-M110 PolarHBondContact O-N 2.92Å; M110-E112 VanDerWaalsContact C-N 3.26Å; M110-E112 PolarHBondContact O-N 2.9Å; M110-E113 WeakPolarHBondContact O-CB 3.29Å; M110-E113 PolarHBondContact O-N 3.26Å; M110-L116 HydrophobicContact CG-CD1 3.37Å; M110-L116 WeakPolarHBondContact O-CD1 3.49Å; M110-L116 HydrophobicContact SD-CD1 4.2Å
111	L	97.6	Very high	97.7	Very high	14 Å²	14	60.4 Å²	60.4	7%	0.073	31%	0.306	C	S	.	.	H	α-helix	trans	-73.8	-16.8	-175.6	-68.7	175.3	0	0	0	113.8	L107 V108 E113 L121 L148 R151	L107-L111 HydrophobicContact CD1-CD1 3.73Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CG-CD1 3.94Å; L107-L111 WeakPolarHBondContact O-CB 3.21Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.81Å; V108-L111 PolarHBondContact O-N 2.95Å; V108-L111 VanDerWaalsContact O-N 3.07Å; L111-E113 VanDerWaalsContact C-N 3.26Å; L111-L121 HydrophobicContact CD1-CD2 3.89Å; L111-L121 HydrophobicContact CD2-CD2 4.39Å; L111-L148 HydrophobicContact CD1-CD1 3.81Å; L111-L148 HydrophobicContact CD1-CD2 3.92Å; L111-R151 PolarHBondContact O-NH2 2.86Å; L111-R151 VanDerWaalsContact O-NH2 3.08Å
112	E	96.3	Very high	97.7	Very high	152 Å²	152	58.5 Å²	58.5	71%	0.71	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.4	173.7	-73.3	176.7	170.2	0	0	113.1	V108 A109 M110	V108-E112 WeakPolarHBondContact O-CG 3.44Å; V108-E112 PolarHBondContact O-N 3.43Å; V108-E112 VanDerWaalsContact O-N 3.13Å; A109-E112 PolarHBondContact O-N 3.37Å; M110-E112 VanDerWaalsContact C-N 3.26Å; M110-E112 PolarHBondContact O-N 2.9Å
113	E	98	Very high	97.8	Very high	66 Å²	66	54.9 Å²	54.9	31%	0.308	27%	0.267	S	S	.	.	S	Bend	trans	-76.3	131.7	-175.8	-62.7	-91.2	-159.3	0	0	111.3	Y82 M110 L111 E115 L116 R117	Y82-E113 HydrophobicContact CD2-CB 3.82Å; Y82-E113 HydrophobicContact CD2-CG 4.03Å; Y82-E113 HydrophobicContact CE2-CB 4.02Å; Y82-E113 HydrophobicContact CE2-CG 3.75Å; M110-E113 WeakPolarHBondContact O-CB 3.29Å; M110-E113 PolarHBondContact O-N 3.26Å; L111-E113 VanDerWaalsContact C-N 3.26Å; E113-E115 VanDerWaalsContact C-N 3.26Å; E113-E115 PolarHBondContact O-N 3.09Å; E113-L116 PolarHBondContact O-N 3.28Å; E113-R117 PolarHBondContact O-N 3.39Å
114	E	96.6	Very high	97.8	Very high	151 Å²	151	54.8 Å²	54.8	71%	0.706	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-61.8	-35.8	-170.2	-175.7	173.4	-166.6	0	0	112	L116 R117	E114-L116 PolarHBondContact O-N 3.08Å; E114-R117 WeakPolarHBondContact O-CB 3.48Å; E114-R117 PolarHBondContact O-N 2.9Å
115	E	97.9	Very high	97.8	Very high	94 Å²	94	50.8 Å²	50.8	44%	0.439	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-59	-27.7	177.3	-65.3	92.8	147.5	0	0	112.6	E113	E113-E115 VanDerWaalsContact C-N 3.26Å; E113-E115 PolarHBondContact O-N 3.09Å
116	L	98	Very high	97.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-99.4	1.6	178.8	-63.5	-177.4	0	0	0	113.3	L21 Y82 T85 V88 M110 E113 E114 K118 A119 R151	L21-L116 HydrophobicContact CD1-CD2 4.4Å; Y82-L116 HydrophobicContact CD1-CD1 3.8Å; Y82-L116 HydrophobicContact CD1-CD2 4.42Å; Y82-L116 HydrophobicContact CD1-CG 4.28Å; Y82-L116 HydrophobicContact CD2-CD1 3.89Å; Y82-L116 HydrophobicContact CD2-CG 4.13Å; Y82-L116 HydrophobicContact CE1-CD1 3.98Å; Y82-L116 HydrophobicContact CE2-CD1 4.12Å; Y82-L116 HydrophobicContact CG-CD1 3.75Å; Y82-L116 HydrophobicContact CG-CD2 4.25Å; Y82-L116 HydrophobicContact CG-CG 3.86Å; T85-L116 HydrophobicContact CG2-CD2 3.86Å; V88-L116 HydrophobicContact CG2-CD1 4.19Å; V88-L116 HydrophobicContact CG2-CD2 3.93Å; M110-L116 HydrophobicContact CG-CD1 3.37Å; M110-L116 WeakPolarHBondContact O-CD1 3.49Å; M110-L116 HydrophobicContact SD-CD1 4.2Å; E113-L116 PolarHBondContact O-N 3.28Å; E114-L116 PolarHBondContact O-N 3.08Å; L116-K118 PolarHBondContact O-N 3.26Å; L116-K118 VanDerWaalsContact O-N 3.09Å; L116-A119 HydrophobicContact CB-CB 4.42Å; L116-A119 HydrophobicContact CD2-CB 4.14Å; L116-A119 WeakPolarHBondContact O-CB 3.48Å; L116-A119 PolarHBondContact O-N 3.32Å; L116-R151 PolarHBondContact O-NH1 3.04Å
117	R	95.3	Very high	97.7	Very high	169 Å²	169	47.2 Å²	47.2	64%	0.638	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.9	-179.3	-176.2	177	179.8	-179.4	2.4	113	E113 E114	E113-R117 PolarHBondContact O-N 3.39Å; E114-R117 WeakPolarHBondContact O-CB 3.48Å; E114-R117 PolarHBondContact O-N 2.9Å
118	K	93.3	Very high	97.7	Very high	178 Å²	178	49.4 Å²	49.4	77%	0.774	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-14.2	178.3	-67.1	-176.3	-176.3	176.2	0	113.1	L116 R180	L116-K118 PolarHBondContact O-N 3.26Å; L116-K118 VanDerWaalsContact O-N 3.09Å; K118-R180 PolarHBondContact O-NH1 3.42Å; K118-R180 PolarHBondContact O-NH2 2.73Å
119	A	97.5	Very high	97.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	24%	0.235	C	C	.	.			trans	-63.5	142.4	-173.6	0	0	0	0	0	112.6	T85 D86 V88 L116	T85-A119 HydrophobicContact CG2-CB 4.29Å; D86-A119 WeakPolarHBondContact O-CA 2.99Å; V88-A119 HydrophobicContact CG2-CB 4.23Å; L116-A119 HydrophobicContact CB-CB 4.42Å; L116-A119 HydrophobicContact CD2-CB 4.14Å; L116-A119 WeakPolarHBondContact O-CB 3.48Å; L116-A119 PolarHBondContact O-N 3.32Å
120	I	98.1	Very high	97.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	141.7	165.4	-60.1	170.8	0	0	0	108.1	D86 A87 V88 V122 W172 L173 T176 L177 R180	D86-I120 PolarHBondContact O-N 2.91Å; D86-I120 VanDerWaalsContact O-N 3.1Å; A87-I120 CarbonylContact C-O 3.57Å; A87-I120 VanDerWaalsContact CA-O 3.31Å; A87-I120 WeakPolarHBondContact CA-O 3.43Å; A87-I120 HydrophobicContact CB-CB 4.02Å; V88-I120 PolarHBondContact N-O 2.86Å; I120-V122 HydrophobicContact CG2-CG2 4.47Å; I120-W172 HydrophobicContact CG2-CH2 3.79Å; I120-W172 HydrophobicContact CG2-CZ3 3.67Å; I120-L173 HydrophobicContact CB-CD1 4.4Å; I120-L173 HydrophobicContact CD1-CD1 4.21Å; I120-L173 HydrophobicContact CG2-CD1 4.18Å; I120-T176 HydrophobicContact CD1-CG2 3.5Å; I120-T176 HydrophobicContact CG1-CG2 4.16Å; I120-T176 HydrophobicContact CG2-CG2 4.32Å; I120-L177 HydrophobicContact CD1-CB 4.41Å; I120-L177 HydrophobicContact CD1-CD2 3.45Å; I120-L177 VanDerWaalsContact CD1-CD2 3.45Å; I120-L177 HydrophobicContact CD1-CG 3.64Å; I120-L177 HydrophobicContact CG1-CD2 4.38Å; I120-R180 VanDerWaalsContact CG1-NH1 3.35Å
121	L	98.8	Very high	97.3	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124	171	175.4	66.2	0	0	0	110.9	V88 L107 L111 V123 L145 L148 K152 W153 Q154	V88-L121 HydrophobicContact CB-CD1 4.4Å; V88-L121 HydrophobicContact CG1-CD1 4.33Å; L107-L121 HydrophobicContact CD1-CD1 4.15Å; L107-L121 HydrophobicContact CD1-CD2 4.31Å; L111-L121 HydrophobicContact CD1-CD2 3.89Å; L111-L121 HydrophobicContact CD2-CD2 4.39Å; L121-V123 HydrophobicContact CD1-CG2 4.16Å; L121-V123 HydrophobicContact CD2-CG2 4.07Å; L121-V123 HydrophobicContact CG-CG2 3.95Å; L121-L145 HydrophobicContact CD2-CD2 4.27Å; L121-L148 HydrophobicContact CD2-CD1 3.67Å; L121-K152 PolarHBondContact N-O 2.88Å; L121-K152 VanDerWaalsContact N-O 3.11Å; L121-W153 HydrophobicContact CB-CB 3.81Å; L121-W153 HydrophobicContact CD2-CB 4.07Å; L121-W153 HydrophobicContact CG-CB 4.17Å; L121-W153 CarbonylContact O-C 3.56Å; L121-W153 WeakPolarHBondContact O-CA 3.46Å; L121-W153 WeakPolarHBondContact O-CB 3.5Å; L121-Q154 PolarHBondContact O-N 2.85Å; L121-Q154 VanDerWaalsContact O-N 3.13Å
122	V	98.8	Very high	97	Very high	1 Å²	1	67 Å²	67	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.8	166.3	-172.3	0	0	0	0	107.4	V88 I89 Y90 I120 F124 Q154 F156 W172 L173	V88-V122 PolarHBondContact O-N 2.83Å; I89-V122 CarbonylContact C-O 3.44Å; I89-V122 VanDerWaalsContact CA-O 3.32Å; I89-V122 WeakPolarHBondContact CA-O 3.4Å; I89-V122 HydrophobicContact CG1-CB 4.28Å; Y90-V122 PolarHBondContact N-O 2.79Å; I120-V122 HydrophobicContact CG2-CG2 4.47Å; V122-F124 HydrophobicContact CB-CE1 4.48Å; V122-F124 HydrophobicContact CG1-CD1 3.8Å; V122-F124 HydrophobicContact CG1-CE1 3.31Å; V122-F124 HydrophobicContact CG1-CZ 4.19Å; V122-Q154 WeakPolarHBondContact CA-O 3.47Å; V122-F156 HydrophobicContact CG1-CD2 3.84Å; V122-F156 HydrophobicContact CG1-CE2 4.14Å; V122-W172 HydrophobicContact CG2-CE3 4.08Å; V122-W172 HydrophobicContact CG2-CZ3 3.73Å; V122-L173 HydrophobicContact CG2-CB 4.23Å; V122-L173 HydrophobicContact CG2-CD1 3.84Å; V122-L173 HydrophobicContact CG2-CD2 4.27Å; V122-L173 HydrophobicContact CG2-CG 4.33Å
123	V	98.9	Very high	97.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.7	175.3	-179.3	0	0	0	0	109.4	Y90 V92 L121 L143 L145 Q154 I155 F156	Y90-V123 CarbonylContact O-C 3.58Å; Y90-V123 WeakPolarHBondContact O-CA 3.42Å; V92-V123 HydrophobicContact CG2-CG1 4.42Å; L121-V123 HydrophobicContact CD1-CG2 4.16Å; L121-V123 HydrophobicContact CD2-CG2 4.07Å; L121-V123 HydrophobicContact CG-CG2 3.95Å; V123-L143 HydrophobicContact CG1-CD1 3.84Å; V123-L145 HydrophobicContact CB-CD1 4.18Å; V123-L145 HydrophobicContact CG1-CD1 4.39Å; V123-L145 HydrophobicContact CG2-CD1 3.8Å; V123-L145 HydrophobicContact CG2-CD2 4.02Å; V123-Q154 PolarHBondContact N-O 3.41Å; V123-I155 HydrophobicContact CB-CB 4.15Å; V123-I155 HydrophobicContact CB-CD1 4.4Å; V123-I155 HydrophobicContact CB-CG1 3.99Å; V123-I155 HydrophobicContact CG1-CD1 3.97Å; V123-I155 HydrophobicContact CG1-CG1 3.98Å; V123-I155 CarbonylContact O-C 3.58Å; V123-I155 WeakPolarHBondContact O-CA 3.48Å; V123-F156 PolarHBondContact O-N 3.1Å
124	F	98.9	Very high	97.1	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	105.1	172.1	-72.5	-5	0	0	0	109.3	I33 I89 Y90 V91 V92 V122 N126 F156 T158 L166 A169	I33-F124 HydrophobicContact CD1-CB 4.45Å; I33-F124 HydrophobicContact CD1-CD2 3.69Å; I33-F124 HydrophobicContact CD1-CE2 4.48Å; I33-F124 HydrophobicContact CG2-CD2 4.08Å; I33-F124 HydrophobicContact CG2-CE2 3.84Å; I89-F124 HydrophobicContact CD1-CE2 4.35Å; I89-F124 HydrophobicContact CD1-CZ 4.37Å; I89-F124 HydrophobicContact CG2-CD1 4.35Å; I89-F124 HydrophobicContact CG2-CD2 3.47Å; I89-F124 VanDerWaalsContact CG2-CD2 3.47Å; I89-F124 HydrophobicContact CG2-CE1 4.36Å; I89-F124 HydrophobicContact CG2-CE2 3.53Å; I89-F124 HydrophobicContact CG2-CG 3.93Å; I89-F124 HydrophobicContact CG2-CZ 3.99Å; Y90-F124 PolarHBondContact O-N 2.84Å; V91-F124 HydrophobicContact CB-CB 4.49Å; V91-F124 HydrophobicContact CG1-CB 4.26Å; V91-F124 HydrophobicContact CG2-CB 4.27Å; V91-F124 HydrophobicContact CG2-CD2 4.3Å; V92-F124 PolarHBondContact N-O 2.81Å; V122-F124 HydrophobicContact CB-CE1 4.48Å; V122-F124 HydrophobicContact CG1-CD1 3.8Å; V122-F124 HydrophobicContact CG1-CE1 3.31Å; V122-F124 HydrophobicContact CG1-CZ 4.19Å; F124-N126 PolarHBondContact O-N 2.61Å; F124-F156 HydrophobicContact CD1-CB 4.26Å; F124-F156 HydrophobicContact CE1-CB 4.43Å; F124-F156 HydrophobicContact CE1-CD2 4.44Å; F124-T158 HydrophobicContact CB-CG2 4.28Å; F124-T158 HydrophobicContact CD1-CG2 3.92Å; F124-T158 HydrophobicContact CD2-CG2 4.44Å; F124-T158 HydrophobicContact CE1-CG2 4.36Å; F124-T158 HydrophobicContact CG-CG2 3.96Å; F124-L166 HydrophobicContact CD2-CD2 4.29Å; F124-L166 HydrophobicContact CE2-CD2 3.93Å; F124-L166 HydrophobicContact CZ-CD2 4.45Å; F124-A169 HydrophobicContact CD1-CB 4.34Å; F124-A169 HydrophobicContact CE1-CB 3.25Å; F124-A169 HydrophobicContact CZ-CB 3.54Å
125	A	98.8	Very high	97.1	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	85.8	162.9	0	0	0	0	0	107.3	S94 Q128 M139 I155 F156 T158	S94-A125 VanDerWaalsContact OG-C 3.26Å; A125-Q128 WeakPolarHBondContact O-CG 3.33Å; A125-M139 VanDerWaalsContact CA-SD 3.52Å; A125-M139 HydrophobicContact CB-CE 3.76Å; A125-M139 HydrophobicContact CB-SD 3.36Å; A125-M139 WeakPolarHBondContact CB-SD 3.24Å; A125-I155 HydrophobicContact CB-CD1 4.26Å; A125-I155 HydrophobicContact CB-CG1 4.33Å; A125-F156 PolarHBondContact N-O 3.25Å; A125-T158 PolarHBondContact O-N 3.39Å; A125-T158 PolarHBondContact O-OG1 2.88Å
126	N	98.8	Very high	96.9	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	164	-171.6	-171.3	34	0	0	0	111.9	A28 I33 V91 V92 S94 F124 T158 A160	A28-N126 PolarHBondContact O-ND2 3.47Å; I33-N126 HydrophobicContact CD1-CB 4.33Å; V91-N126 HydrophobicContact CG1-CB 3.79Å; V92-N126 PolarHBondContact O-N 3.2Å; S94-N126 WeakPolarHBondContact CB-O 3.49Å; S94-N126 PolarHBondContact N-O 2.69Å; S94-N126 PolarHBondContact OG-N 3.18Å; S94-N126 PolarHBondContact OG-O 3.42Å; F124-N126 PolarHBondContact O-N 2.61Å; N126-T158 CarbonylContact C-O 3.59Å; N126-T158 WeakPolarHBondContact CA-O 3.33Å; N126-T158 VanDerWaalsContact CA-OG1 3.3Å; N126-T158 WeakPolarHBondContact CA-OG1 3.26Å; N126-T158 PolarHBondContact OD1-O 2.88Å; N126-A160 PolarHBondContact OD1-N 3.46Å
127	K	98.3	Very high	96.8	Very high	49 Å²	49	54.7 Å²	54.7	21%	0.213	27%	0.27	C	S	.	.			trans	66.5	35.1	-176.9	-45.8	-168.1	-168.4	173	0	113.6	G27 D93 D129 M130 T158	G27-K127 WeakPolarHBondContact O-CE 3.39Å; G27-K127 PolarHBondContact O-NZ 3.3Å; D93-K127 WeakPolarHBondContact OD1-CD 3.32Å; D93-K127 VanDerWaalsContact OD2-CE 3.25Å; D93-K127 WeakPolarHBondContact OD2-CE 3.38Å; D93-K127 IonicContact OD2-NZ 3.93Å; D93-K127 PolarHBondContact OD2-NZ 3.08Å; K127-D129 WeakPolarHBondContact CA-OD1 3.39Å; K127-D129 PolarHBondContact O-N 2.93Å; K127-M130 HydrophobicContact CB-CG 4.13Å; K127-M130 HydrophobicContact CB-SD 3.84Å; K127-M130 HydrophobicContact CD-SD 3.67Å; K127-M130 HydrophobicContact CG-SD 4.32Å; K127-M130 WeakPolarHBondContact O-CB 3.26Å; K127-M130 PolarHBondContact O-N 3.08Å; K127-T158 PolarHBondContact N-O 2.78Å; K127-T158 VanDerWaalsContact N-O 3.09Å
128	Q	98.1	Very high	97	Very high	47 Å²	47	49.7 Å²	49.7	22%	0.22	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-7.9	176.8	-67.2	-81.8	-48.2	0	0	113.3	S94 A125 M130 M134 K157 T158	S94-Q128 VanDerWaalsContact CB-NE2 3.31Å; S94-Q128 PolarHBondContact OG-NE2 3.06Å; A125-Q128 WeakPolarHBondContact O-CG 3.33Å; Q128-M130 VanDerWaalsContact C-N 3.31Å; Q128-M134 PolarHBondContact NE2-O 3.11Å; Q128-K157 HydrophobicContact CG-CB 3.83Å; Q128-K157 HydrophobicContact CG-CG 4.2Å; Q128-T158 WeakPolarHBondContact CB-O 3.36Å; Q128-T158 WeakPolarHBondContact CG-O 3.25Å; Q128-T158 PolarHBondContact N-O 3.37Å
129	D	96.8	Very high	97.2	Very high	76 Å²	76	41.2 Å²	41.2	41%	0.406	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-11.4	169.4	58.8	-62.9	0	0	0	113.6	K127 S159 T161 K162	K127-D129 WeakPolarHBondContact CA-OD1 3.39Å; K127-D129 PolarHBondContact O-N 2.93Å; D129-S159 WeakPolarHBondContact OD1-CB 3.26Å; D129-S159 PolarHBondContact OD1-OG 3.38Å; D129-T161 PolarHBondContact OD2-OG1 2.9Å; D129-K162 HydrophobicContact CB-CG 4.05Å
130	M	96.8	Very high	97.2	Very high	96 Å²	96	41.6 Å²	41.6	47%	0.473	22%	0.22	S	C	.	.	S	Bend	trans	-89.4	150.1	179.3	-65.9	-175.4	66.5	0	0	112.1	C95 K127 Q128 A133	C95-M130 WeakPolarHBondContact SG-CB 3.29Å; K127-M130 HydrophobicContact CB-CG 4.13Å; K127-M130 HydrophobicContact CB-SD 3.84Å; K127-M130 HydrophobicContact CD-SD 3.67Å; K127-M130 HydrophobicContact CG-SD 4.32Å; K127-M130 WeakPolarHBondContact O-CB 3.26Å; K127-M130 PolarHBondContact O-N 3.08Å; Q128-M130 VanDerWaalsContact C-N 3.31Å; M130-A133 WeakPolarHBondContact O-CB 3.37Å
131	E	91.7	Very high	97.2	Very high	169 Å²	169	46.3 Å²	46.3	79%	0.79	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	153.2	169.1	-62.7	-175.9	-178.4	0	0	110.8	C95 A133	C95-E131 PolarHBondContact SG-O 3.4Å; E131-A133 PolarHBondContact O-N 3.38Å; E131-A133 VanDerWaalsContact O-N 3.16Å
132	Q	92.3	Very high	97.2	Very high	151 Å²	151	48.2 Å²	48.2	71%	0.706	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	6.7	-179.8	-50.5	-60.5	-36.2	0	0	116	M134	Q132-M134 PolarHBondContact O-N 3.2Å
133	A	97.7	Very high	97.2	Very high	25 Å²	25	48.3 Å²	48.3	21%	0.207	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-55	126.7	175.2	0	0	0	0	0	111.5	M130 E131	M130-A133 WeakPolarHBondContact O-CB 3.37Å; E131-A133 PolarHBondContact O-N 3.38Å; E131-A133 VanDerWaalsContact O-N 3.16Å
134	M	98	Very high	97.2	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-55.3	141.6	171.1	-73.9	179.4	-80.3	0	0	110.5	S94 R97 I100 Q128 Q132 E138 M139	S94-M134 WeakPolarHBondContact O-CB 3.09Å; S94-M134 VanDerWaalsContact O-CE 3.31Å; S94-M134 WeakPolarHBondContact O-CE 3.12Å; S94-M134 WeakPolarHBondContact O-CG 3.24Å; S94-M134 PolarHBondContact O-N 3.49Å; R97-M134 HydrophobicContact CG-CE 4.2Å; R97-M134 HydrophobicContact CG-CG 4.13Å; R97-M134 HydrophobicContact CG-SD 4.09Å; R97-M134 VanDerWaalsContact CZ-CG 3.43Å; I100-M134 HydrophobicContact CD1-CE 4.13Å; I100-M134 HydrophobicContact CG1-CE 4.33Å; I100-M134 HydrophobicContact CG1-SD 4.42Å; Q128-M134 PolarHBondContact NE2-O 3.11Å; Q132-M134 PolarHBondContact O-N 3.2Å; M134-E138 WeakPolarHBondContact CA-OE2 3.21Å; M134-E138 HydrophobicContact CB-CG 4.37Å; M134-E138 HydrophobicContact CG-CG 4.26Å; M134-M139 HydrophobicContact CB-CE 4.47Å; M134-M139 HydrophobicContact CE-CE 4.16Å
135	T	96.2	Very high	97.1	Very high	69 Å²	69	49.2 Å²	49.2	42%	0.423	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-68.5	157.7	171.8	70.2	0	0	0	0	110.3	S137 E138 M139	T135-S137 PolarHBondContact O-N 2.91Å; T135-E138 PolarHBondContact N-OE2 3.38Å; T135-E138 PolarHBondContact O-N 3.22Å; T135-E138 VanDerWaalsContact OG1-CB 3.28Å; T135-E138 WeakPolarHBondContact OG1-CB 3.16Å; T135-E138 PolarHBondContact OG1-N 3.31Å; T135-E138 VanDerWaalsContact OG1-N 3.14Å; T135-M139 WeakPolarHBondContact O-CB 3.37Å; T135-M139 PolarHBondContact O-N 3.06Å
136	S	94.4	Very high	97.1	Very high	36 Å²	36	52.8 Å²	52.8	25%	0.252	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-34.7	175.9	49.6	0	0	0	0	112.5	A140 K157	S136-A140 WeakPolarHBondContact O-CB 3.34Å; S136-A140 PolarHBondContact O-N 2.81Å; S136-K157 WeakPolarHBondContact OG-CE 3.49Å
137	S	96.5	Very high	96.9	Very high	74 Å²	74	56.3 Å²	56.3	52%	0.517	32%	0.321	S	S	.	.	H	α-helix	trans	-67.6	-46.4	176.1	-177.6	0	0	0	0	111.7	T135 M139 A140 N141	T135-S137 PolarHBondContact O-N 2.91Å; S137-M139 PolarHBondContact O-N 2.99Å; S137-A140 PolarHBondContact O-N 2.94Å; S137-N141 WeakPolarHBondContact O-CB 3.4Å; S137-N141 VanDerWaalsContact O-CG 3.31Å; S137-N141 PolarHBondContact O-N 2.69Å; S137-N141 PolarHBondContact O-ND2 3.42Å
138	E	97.9	Very high	96.8	Very high	64 Å²	64	55.8 Å²	55.8	30%	0.299	32%	0.321	S	S	.	.	H	α-helix	trans	-59.2	-46	175.4	178.6	179.3	-163.7	0	0	111.7	R97 M134 T135 N141 S142	R97-E138 IonicContact CZ-OE1 3.39Å; R97-E138 IonicContact CZ-OE2 3.94Å; R97-E138 IonicContact NH1-OE1 2.64Å; R97-E138 PolarHBondContact NH1-OE1 2.83Å; R97-E138 IonicContact NH1-OE2 3.9Å; R97-E138 IonicContact NH2-OE1 3.25Å; R97-E138 PolarHBondContact NH2-OE1 3.04Å; R97-E138 IonicContact NH2-OE2 3.1Å; R97-E138 PolarHBondContact NH2-OE2 2.82Å; R97-E138 VanDerWaalsContact NH2-OE2 3.1Å; M134-E138 WeakPolarHBondContact CA-OE2 3.21Å; M134-E138 HydrophobicContact CB-CG 4.37Å; M134-E138 HydrophobicContact CG-CG 4.26Å; T135-E138 PolarHBondContact N-OE2 3.38Å; T135-E138 PolarHBondContact O-N 3.22Å; T135-E138 VanDerWaalsContact OG1-CB 3.28Å; T135-E138 WeakPolarHBondContact OG1-CB 3.16Å; T135-E138 PolarHBondContact OG1-N 3.31Å; T135-E138 VanDerWaalsContact OG1-N 3.14Å; E138-N141 PolarHBondContact O-N 2.67Å; E138-S142 WeakPolarHBondContact O-CB 3.36Å; E138-S142 PolarHBondContact O-N 2.86Å; E138-S142 PolarHBondContact O-OG 3.49Å
139	M	97.8	Very high	96.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-65.8	-43.9	178.2	-175.6	176.4	-68.2	0	0	111.8	V92 S94 A125 M134 T135 S137 N141 S142 L143 I155	V92-M139 HydrophobicContact CB-CE 4.06Å; V92-M139 HydrophobicContact CB-SD 3.72Å; V92-M139 HydrophobicContact CG1-CE 3.76Å; V92-M139 HydrophobicContact CG1-SD 3.86Å; V92-M139 HydrophobicContact CG2-SD 4.42Å; S94-M139 VanDerWaalsContact CA-CE 3.49Å; S94-M139 WeakPolarHBondContact OG-CE 3.42Å; A125-M139 VanDerWaalsContact CA-SD 3.52Å; A125-M139 HydrophobicContact CB-CE 3.76Å; A125-M139 HydrophobicContact CB-SD 3.36Å; A125-M139 WeakPolarHBondContact CB-SD 3.24Å; M134-M139 HydrophobicContact CB-CE 4.47Å; M134-M139 HydrophobicContact CE-CE 4.16Å; T135-M139 WeakPolarHBondContact O-CB 3.37Å; T135-M139 PolarHBondContact O-N 3.06Å; S137-M139 PolarHBondContact O-N 2.99Å; M139-N141 VanDerWaalsContact C-N 3.3Å; M139-N141 PolarHBondContact O-N 3.28Å; M139-S142 PolarHBondContact O-N 3.22Å; M139-L143 HydrophobicContact CG-CD1 3.69Å; M139-L143 HydrophobicContact CG-CG 4.17Å; M139-L143 WeakPolarHBondContact O-CB 3.32Å; M139-L143 WeakPolarHBondContact O-CG 3.36Å; M139-L143 PolarHBondContact O-N 2.94Å; M139-L143 HydrophobicContact SD-CD1 4.31Å; M139-I155 HydrophobicContact CB-CD1 4.15Å; M139-I155 HydrophobicContact CG-CD1 4.1Å; M139-I155 HydrophobicContact SD-CD1 4.13Å
140	A	98.3	Very high	96.4	Very high	9 Å²	9	64.1 Å²	64.1	7%	0.074	36%	0.358	C	S	.	.	H	α-helix	trans	-58.7	-43.5	177.4	0	0	0	0	0	111.6	S136 S137 G144 L145 P146 I155	S136-A140 WeakPolarHBondContact O-CB 3.34Å; S136-A140 PolarHBondContact O-N 2.81Å; S137-A140 PolarHBondContact O-N 2.94Å; A140-G144 PolarHBondContact O-N 3.22Å; A140-G144 VanDerWaalsContact O-N 3.08Å; A140-L145 HydrophobicContact CB-CB 4.35Å; A140-L145 HydrophobicContact CB-CD1 4.01Å; A140-L145 HydrophobicContact CB-CG 4.41Å; A140-L145 PolarHBondContact O-N 3.37Å; A140-P146 VanDerWaalsContact O-CD 3.29Å; A140-P146 WeakPolarHBondContact O-CD 3.02Å; A140-I155 HydrophobicContact CB-CD1 4.37Å
141	N	98.4	Very high	96.3	Very high	99 Å²	99	60.7 Å²	60.7	53%	0.529	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-44.8	175.7	-70.7	-29.1	0	0	0	111.8	S137 E138 M139 L143 G144	S137-N141 WeakPolarHBondContact O-CB 3.4Å; S137-N141 VanDerWaalsContact O-CG 3.31Å; S137-N141 PolarHBondContact O-N 2.69Å; S137-N141 PolarHBondContact O-ND2 3.42Å; E138-N141 PolarHBondContact O-N 2.67Å; M139-N141 VanDerWaalsContact C-N 3.3Å; M139-N141 PolarHBondContact O-N 3.28Å; N141-L143 VanDerWaalsContact C-N 3.33Å; N141-L143 PolarHBondContact O-N 3.35Å; N141-G144 PolarHBondContact O-N 3.27Å
142	S	98.3	Very high	96.6	Very high	41 Å²	41	57.4 Å²	57.4	29%	0.287	32%	0.322	S	S	.	.	H	α-helix	trans	-62.1	-40.8	-179.8	-59.6	0	0	0	0	112	K104 E138 M139 G144	K104-S142 VanDerWaalsContact CD-O 3.26Å; K104-S142 WeakPolarHBondContact CD-O 3.3Å; E138-S142 WeakPolarHBondContact O-CB 3.36Å; E138-S142 PolarHBondContact O-N 2.86Å; E138-S142 PolarHBondContact O-OG 3.49Å; M139-S142 PolarHBondContact O-N 3.22Å; S142-G144 VanDerWaalsContact C-N 3.29Å; S142-G144 PolarHBondContact O-N 2.78Å
143	L	98.6	Very high	96.8	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-77.3	-10.9	175.9	-66.4	174.5	0	0	0	113.5	V92 I100 K104 L107 V123 M139 N141 L145	V92-L143 HydrophobicContact CG2-CD1 3.92Å; V92-L143 HydrophobicContact CG2-CD2 4.35Å; I100-L143 HydrophobicContact CD1-CD2 3.85Å; I100-L143 HydrophobicContact CD1-CG 4.23Å; K104-L143 HydrophobicContact CB-CD2 4.36Å; L107-L143 HydrophobicContact CD2-CB 4.05Å; L107-L143 HydrophobicContact CD2-CD1 4.38Å; L107-L143 HydrophobicContact CD2-CD2 4.26Å; L107-L143 HydrophobicContact CD2-CG 4.46Å; V123-L143 HydrophobicContact CG1-CD1 3.84Å; M139-L143 HydrophobicContact CG-CD1 3.69Å; M139-L143 HydrophobicContact CG-CG 4.17Å; M139-L143 WeakPolarHBondContact O-CB 3.32Å; M139-L143 WeakPolarHBondContact O-CG 3.36Å; M139-L143 PolarHBondContact O-N 2.94Å; M139-L143 HydrophobicContact SD-CD1 4.31Å; N141-L143 VanDerWaalsContact C-N 3.33Å; N141-L143 PolarHBondContact O-N 3.35Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L143-L145 HydrophobicContact CB-CD2 3.95Å; L143-L145 HydrophobicContact CB-CG 3.92Å; L143-L145 HydrophobicContact CD1-CD1 4.43Å
144	G	98	Very high	96.9	Very high	20 Å²	20	55.7 Å²	55.7	21%	0.206	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	21.6	-177.5	0	0	0	0	0	114.4	A140 N141 S142 P146 A147	A140-G144 PolarHBondContact O-N 3.22Å; A140-G144 VanDerWaalsContact O-N 3.08Å; N141-G144 PolarHBondContact O-N 3.27Å; S142-G144 VanDerWaalsContact C-N 3.29Å; S142-G144 PolarHBondContact O-N 2.78Å; G144-P146 VanDerWaalsContact C-CD 3.46Å; G144-A147 WeakPolarHBondContact O-CB 3.12Å; G144-A147 PolarHBondContact O-N 3.49Å; G144-A147 VanDerWaalsContact O-N 3.08Å
145	L	98.4	Very high	96.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-57.9	-39.2	-178.3	-52.7	-177.4	0	0	0	113.8	L107 L121 V123 A140 L143 A147 L148 W153 I155	L107-L145 HydrophobicContact CD2-CD2 3.7Å; L121-L145 HydrophobicContact CD2-CD2 4.27Å; V123-L145 HydrophobicContact CB-CD1 4.18Å; V123-L145 HydrophobicContact CG1-CD1 4.39Å; V123-L145 HydrophobicContact CG2-CD1 3.8Å; V123-L145 HydrophobicContact CG2-CD2 4.02Å; A140-L145 HydrophobicContact CB-CB 4.35Å; A140-L145 HydrophobicContact CB-CD1 4.01Å; A140-L145 HydrophobicContact CB-CG 4.41Å; A140-L145 PolarHBondContact O-N 3.37Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L143-L145 HydrophobicContact CB-CD2 3.95Å; L143-L145 HydrophobicContact CB-CG 3.92Å; L143-L145 HydrophobicContact CD1-CD1 4.43Å; L145-A147 PolarHBondContact O-N 3.36Å; L145-L148 HydrophobicContact CD2-CD1 3.96Å; L145-L148 VanDerWaalsContact O-CB 3.3Å; L145-L148 WeakPolarHBondContact O-CB 3.37Å; L145-L148 PolarHBondContact O-N 3.02Å; L145-W153 HydrophobicContact CB-CD2 4.16Å; L145-W153 HydrophobicContact CB-CE3 4Å; L145-W153 HydrophobicContact CB-CH2 3.58Å; L145-W153 HydrophobicContact CB-CZ2 3.72Å; L145-W153 HydrophobicContact CB-CZ3 3.72Å; L145-W153 HydrophobicContact CD1-CE3 3.89Å; L145-W153 HydrophobicContact CD1-CH2 4.31Å; L145-W153 HydrophobicContact CD1-CZ3 3.66Å; L145-W153 HydrophobicContact CG-CE3 4.48Å; L145-W153 HydrophobicContact CG-CZ3 4.33Å; L145-W153 WeakPolarHBondContact O-CZ2 3.45Å; L145-W153 PolarHBondContact O-NE1 2.83Å; L145-I155 HydrophobicContact CD1-CB 4.25Å; L145-I155 HydrophobicContact CD1-CD1 4.16Å
146	P	97.1	Very high	97	Very high	75 Å²	75	54.9 Å²	54.9	49%	0.487	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-59.8	-19.1	177.3	-26.2	36.1	0	0	0	114.7	A140 G144 L148	A140-P146 VanDerWaalsContact O-CD 3.29Å; A140-P146 WeakPolarHBondContact O-CD 3.02Å; G144-P146 VanDerWaalsContact C-CD 3.46Å; P146-L148 VanDerWaalsContact C-N 3.34Å
147	A	96.3	Very high	97.2	Very high	77 Å²	77	58.1 Å²	58.1	64%	0.636	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-79.6	-16.7	175.8	0	0	0	0	0	112.9	G144 L145 K149	G144-A147 WeakPolarHBondContact O-CB 3.12Å; G144-A147 PolarHBondContact O-N 3.49Å; G144-A147 VanDerWaalsContact O-N 3.08Å; L145-A147 PolarHBondContact O-N 3.36Å; A147-K149 PolarHBondContact O-N 3.48Å
148	L	96.3	Very high	97.3	Very high	39 Å²	39	54.6 Å²	54.6	20%	0.204	28%	0.284	C	S	.	.			trans	-72.9	108.4	177.8	-58.5	176.6	0	0	0	109.8	L111 L121 L145 P146 W153	L111-L148 HydrophobicContact CD1-CD1 3.81Å; L111-L148 HydrophobicContact CD1-CD2 3.92Å; L121-L148 HydrophobicContact CD2-CD1 3.67Å; L145-L148 HydrophobicContact CD2-CD1 3.96Å; L145-L148 VanDerWaalsContact O-CB 3.3Å; L145-L148 WeakPolarHBondContact O-CB 3.37Å; L145-L148 PolarHBondContact O-N 3.02Å; P146-L148 VanDerWaalsContact C-N 3.34Å; L148-W153 HydrophobicContact CD1-CG 4.41Å; L148-W153 PolarHBondContact O-NE1 3.28Å
149	K	93.5	Very high	97.4	Very high	196 Å²	196	51.6 Å²	51.6	85%	0.852	27%	0.27	S	S	*	.			trans	-113.6	-13.7	179.8	-64	-179.2	-177.7	179.8	0	113.4	A147	A147-K149 PolarHBondContact O-N 3.48Å
150	D	92.8	Very high	97.4	Very high	102 Å²	102	51.7 Å²	51.7	55%	0.545	27%	0.271	S	S	.	.	S	Bend	trans	-90.8	-6.9	-172.3	68.5	-33.5	0	0	0	113.4
151	R	94.9	Very high	97.3	Very high	24 Å²	24	54.4 Å²	54.4	9%	0.091	29%	0.287	C	S	.	.	S	Bend	trans	-146.4	156.5	-175.5	64.9	-166.6	61.9	-125.6	3.5	113.2	L111 L116	L111-R151 PolarHBondContact O-NH2 2.86Å; L111-R151 VanDerWaalsContact O-NH2 3.08Å; L116-R151 PolarHBondContact O-NH1 3.04Å
152	K	96.6	Very high	97.2	Very high	99 Å²	99	56.3 Å²	56.3	43%	0.43	29%	0.29	S	S	.	.			trans	-74.7	128.7	167.4	-67.1	-168.6	-179.4	-176.4	0	108.8	L121 T176 S179	L121-K152 PolarHBondContact N-O 2.88Å; L121-K152 VanDerWaalsContact N-O 3.11Å; K152-T176 HydrophobicContact CB-CG2 4.3Å; K152-T176 HydrophobicContact CD-CG2 3.55Å; K152-S179 PolarHBondContact NZ-OG 3.14Å
153	W	98	Very high	97.1	Very high	67 Å²	67	55.1 Å²	55.1	25%	0.254	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	157.5	172.8	68.8	-92.3	0	0	0	111.9	L121 L145 L148 I155	L121-W153 HydrophobicContact CB-CB 3.81Å; L121-W153 HydrophobicContact CD2-CB 4.07Å; L121-W153 HydrophobicContact CG-CB 4.17Å; L121-W153 CarbonylContact O-C 3.56Å; L121-W153 WeakPolarHBondContact O-CA 3.46Å; L121-W153 WeakPolarHBondContact O-CB 3.5Å; L145-W153 HydrophobicContact CB-CD2 4.16Å; L145-W153 HydrophobicContact CB-CE3 4Å; L145-W153 HydrophobicContact CB-CH2 3.58Å; L145-W153 HydrophobicContact CB-CZ2 3.72Å; L145-W153 HydrophobicContact CB-CZ3 3.72Å; L145-W153 HydrophobicContact CD1-CE3 3.89Å; L145-W153 HydrophobicContact CD1-CH2 4.31Å; L145-W153 HydrophobicContact CD1-CZ3 3.66Å; L145-W153 HydrophobicContact CG-CE3 4.48Å; L145-W153 HydrophobicContact CG-CZ3 4.33Å; L145-W153 WeakPolarHBondContact O-CZ2 3.45Å; L145-W153 PolarHBondContact O-NE1 2.83Å; L148-W153 HydrophobicContact CD1-CG 4.41Å; L148-W153 PolarHBondContact O-NE1 3.28Å; W153-I155 HydrophobicContact CZ3-CB 4.34Å; W153-I155 HydrophobicContact CZ3-CG2 4.13Å
154	Q	98.4	Very high	97	Very high	73 Å²	73	58.8 Å²	58.8	34%	0.341	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150.2	169	-178.9	61.5	-64.4	0	0	110.6	L121 V122 V123 F156 W172	L121-Q154 PolarHBondContact O-N 2.85Å; L121-Q154 VanDerWaalsContact O-N 3.13Å; V122-Q154 WeakPolarHBondContact CA-O 3.47Å; V123-Q154 PolarHBondContact N-O 3.41Å; Q154-F156 HydrophobicContact CB-CE2 3.77Å; Q154-F156 HydrophobicContact CB-CZ 4.29Å; Q154-F156 HydrophobicContact CG-CD2 3.97Å; Q154-F156 HydrophobicContact CG-CE1 4.26Å; Q154-F156 HydrophobicContact CG-CE2 3.25Å; Q154-F156 HydrophobicContact CG-CZ 3.41Å; Q154-F156 VanDerWaalsContact CG-CZ 3.41Å; Q154-W172 HydrophobicContact CB-CD2 3.84Å; Q154-W172 HydrophobicContact CB-CE3 3.97Å; Q154-W172 HydrophobicContact CB-CH2 3.54Å; Q154-W172 HydrophobicContact CB-CZ2 3.38Å; Q154-W172 HydrophobicContact CB-CZ3 3.84Å; Q154-W172 HydrophobicContact CG-CD2 4.24Å; Q154-W172 HydrophobicContact CG-CZ2 4.38Å
155	I	98.7	Very high	97	Very high	23 Å²	23	58.4 Å²	58.4	12%	0.118	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.9	173.9	-172.8	167.4	0	0	0	111	V123 A125 M139 A140 L145 W153	V123-I155 HydrophobicContact CB-CB 4.15Å; V123-I155 HydrophobicContact CB-CD1 4.4Å; V123-I155 HydrophobicContact CB-CG1 3.99Å; V123-I155 HydrophobicContact CG1-CD1 3.97Å; V123-I155 HydrophobicContact CG1-CG1 3.98Å; V123-I155 CarbonylContact O-C 3.58Å; V123-I155 WeakPolarHBondContact O-CA 3.48Å; A125-I155 HydrophobicContact CB-CD1 4.26Å; A125-I155 HydrophobicContact CB-CG1 4.33Å; M139-I155 HydrophobicContact CB-CD1 4.15Å; M139-I155 HydrophobicContact CG-CD1 4.1Å; M139-I155 HydrophobicContact SD-CD1 4.13Å; A140-I155 HydrophobicContact CB-CD1 4.37Å; L145-I155 HydrophobicContact CD1-CB 4.25Å; L145-I155 HydrophobicContact CD1-CD1 4.16Å; W153-I155 HydrophobicContact CZ3-CB 4.34Å; W153-I155 HydrophobicContact CZ3-CG2 4.13Å
156	F	98.8	Very high	97	Very high	32 Å²	32	58.6 Å²	58.6	14%	0.14	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.2	176.8	-67.1	-88.5	0	0	0	110.6	V122 V123 F124 A125 Q154 T158 E168 A169 W172	V122-F156 HydrophobicContact CG1-CD2 3.84Å; V122-F156 HydrophobicContact CG1-CE2 4.14Å; V123-F156 PolarHBondContact O-N 3.1Å; F124-F156 HydrophobicContact CD1-CB 4.26Å; F124-F156 HydrophobicContact CE1-CB 4.43Å; F124-F156 HydrophobicContact CE1-CD2 4.44Å; A125-F156 PolarHBondContact N-O 3.25Å; Q154-F156 HydrophobicContact CB-CE2 3.77Å; Q154-F156 HydrophobicContact CB-CZ 4.29Å; Q154-F156 HydrophobicContact CG-CD2 3.97Å; Q154-F156 HydrophobicContact CG-CE1 4.26Å; Q154-F156 HydrophobicContact CG-CE2 3.25Å; Q154-F156 HydrophobicContact CG-CZ 3.41Å; Q154-F156 VanDerWaalsContact CG-CZ 3.41Å; F156-T158 HydrophobicContact CB-CG2 4.08Å; F156-E168 HydrophobicContact CD1-CB 4.5Å; F156-E168 HydrophobicContact CE1-CB 4.43Å; F156-A169 HydrophobicContact CB-CB 4.09Å; F156-A169 HydrophobicContact CD1-CB 4.11Å; F156-A169 HydrophobicContact CD2-CB 3.7Å; F156-A169 HydrophobicContact CE2-CB 4.13Å; F156-A169 HydrophobicContact CG-CB 3.69Å; F156-W172 HydrophobicContact CE1-CB 4.36Å; F156-W172 HydrophobicContact CE2-CB 4.11Å; F156-W172 HydrophobicContact CE2-CD2 4.06Å; F156-W172 HydrophobicContact CE2-CE3 4.01Å; F156-W172 HydrophobicContact CE2-CG 4.12Å; F156-W172 HydrophobicContact CZ-CB 3.46Å; F156-W172 VanDerWaalsContact CZ-CB 3.46Å; F156-W172 HydrophobicContact CZ-CD2 4.04Å; F156-W172 HydrophobicContact CZ-CE3 4.42Å; F156-W172 AromaticContact CZ-CG 3.62Å; F156-W172 HydrophobicContact CZ-CG 3.62Å
157	K	98.7	Very high	97	Very high	104 Å²	104	59.5 Å²	59.5	45%	0.452	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.8	166.1	-71.2	-175.2	176.1	-173.7	0	107.9	Q128 S136 G165	Q128-K157 HydrophobicContact CG-CB 3.83Å; Q128-K157 HydrophobicContact CG-CG 4.2Å; S136-K157 WeakPolarHBondContact OG-CE 3.49Å; K157-G165 WeakPolarHBondContact O-CA 3.2Å
158	T	98.7	Very high	97	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.3	C	S	.	.			trans	-134	154.1	-175.9	57.9	0	0	0	0	112	F124 A125 N126 K127 Q128 F156 T164 L166	F124-T158 HydrophobicContact CB-CG2 4.28Å; F124-T158 HydrophobicContact CD1-CG2 3.92Å; F124-T158 HydrophobicContact CD2-CG2 4.44Å; F124-T158 HydrophobicContact CE1-CG2 4.36Å; F124-T158 HydrophobicContact CG-CG2 3.96Å; A125-T158 PolarHBondContact O-N 3.39Å; A125-T158 PolarHBondContact O-OG1 2.88Å; N126-T158 CarbonylContact C-O 3.59Å; N126-T158 WeakPolarHBondContact CA-O 3.33Å; N126-T158 VanDerWaalsContact CA-OG1 3.3Å; N126-T158 WeakPolarHBondContact CA-OG1 3.26Å; N126-T158 PolarHBondContact OD1-O 2.88Å; K127-T158 PolarHBondContact N-O 2.78Å; K127-T158 VanDerWaalsContact N-O 3.09Å; Q128-T158 WeakPolarHBondContact CB-O 3.36Å; Q128-T158 WeakPolarHBondContact CG-O 3.25Å; Q128-T158 PolarHBondContact N-O 3.37Å; F156-T158 HydrophobicContact CB-CG2 4.08Å; T158-T164 VanDerWaalsContact CA-O 3.25Å; T158-T164 WeakPolarHBondContact CA-O 3.46Å; T158-L166 HydrophobicContact CG2-CD2 3.88Å
159	S	98.4	Very high	97.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.29	C	S	.	.			trans	-130.8	112	162.2	173.2	0	0	0	0	108.4	D129 T161 K162 G163 T164	D129-S159 WeakPolarHBondContact OD1-CB 3.26Å; D129-S159 PolarHBondContact OD1-OG 3.38Å; S159-T161 PolarHBondContact O-N 3.47Å; S159-T161 PolarHBondContact OG-OG1 2.9Å; S159-T161 VanDerWaalsContact OG-OG1 3.09Å; S159-K162 PolarHBondContact O-N 3.43Å; S159-K162 WeakPolarHBondContact OG-CG 3.49Å; S159-K162 PolarHBondContact OG-N 3.01Å; S159-K162 VanDerWaalsContact OG-N 3.14Å; S159-G163 CarbonylContact O-C 3.59Å; S159-G163 VanDerWaalsContact O-CA 3.26Å; S159-G163 WeakPolarHBondContact O-CA 3.5Å; S159-G163 PolarHBondContact O-N 2.65Å; S159-T164 VanDerWaalsContact CB-OG1 3.32Å; S159-T164 WeakPolarHBondContact CB-OG1 3.45Å; S159-T164 PolarHBondContact N-O 3.14Å; S159-T164 PolarHBondContact O-N 3.21Å
160	A	97.8	Very high	97.3	Very high	3 Å²	3	50.3 Å²	50.3	3%	0.025	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.6	176.8	0	0	0	0	0	112.4	T32 I33 N126	T32-A160 HydrophobicContact CG2-CB 3.74Å; I33-A160 HydrophobicContact CD1-CB 4.34Å; I33-A160 HydrophobicContact CG1-CB 3.44Å; I33-A160 VanDerWaalsContact CG1-CB 3.44Å; N126-A160 PolarHBondContact OD1-N 3.46Å
161	T	96.5	Very high	97.5	Very high	66 Å²	66	47.8 Å²	47.8	41%	0.405	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-35.1	-177	56.1	0	0	0	0	112.2	V42 D129 S159	V42-T161 WeakPolarHBondContact CG2-O 3.31Å; D129-T161 PolarHBondContact OD2-OG1 2.9Å; S159-T161 PolarHBondContact O-N 3.47Å; S159-T161 PolarHBondContact OG-OG1 2.9Å; S159-T161 VanDerWaalsContact OG-OG1 3.09Å
162	K	96.3	Very high	97.6	Very high	138 Å²	138	49.3 Å²	49.3	60%	0.6	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-21.5	176.3	-55.2	-59.1	-178.8	-178.7	0	112.8	R36 D129 S159 T164	R36-K162 VanDerWaalsContact NH2-C 3.32Å; R36-K162 PolarHBondContact NH2-O 3.21Å; D129-K162 HydrophobicContact CB-CG 4.05Å; S159-K162 PolarHBondContact O-N 3.43Å; S159-K162 WeakPolarHBondContact OG-CG 3.49Å; S159-K162 PolarHBondContact OG-N 3.01Å; S159-K162 VanDerWaalsContact OG-N 3.14Å; K162-T164 VanDerWaalsContact C-N 3.26Å; K162-T164 HydrophobicContact CB-CG2 4.04Å
163	G	96.3	Very high	97.6	Very high	16 Å²	16	44.6 Å²	44.6	17%	0.165	22%	0.221	C	C	.	.			trans	79.1	1	-172.4	0	0	0	0	0	114.3	S159	S159-G163 CarbonylContact O-C 3.59Å; S159-G163 VanDerWaalsContact O-CA 3.26Å; S159-G163 WeakPolarHBondContact O-CA 3.5Å; S159-G163 PolarHBondContact O-N 2.65Å
164	T	97.4	Very high	97.4	Very high	80 Å²	80	41.5 Å²	41.5	49%	0.491	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	140.5	-176.9	54.7	0	0	0	0	111.1	T158 S159 K162 L166	T158-T164 VanDerWaalsContact CA-O 3.25Å; T158-T164 WeakPolarHBondContact CA-O 3.46Å; S159-T164 VanDerWaalsContact CB-OG1 3.32Å; S159-T164 WeakPolarHBondContact CB-OG1 3.45Å; S159-T164 PolarHBondContact N-O 3.14Å; S159-T164 PolarHBondContact O-N 3.21Å; K162-T164 VanDerWaalsContact C-N 3.26Å; K162-T164 HydrophobicContact CB-CG2 4.04Å; T164-L166 PolarHBondContact O-N 3.41Å
165	G	98.1	Very high	97.1	Very high	12 Å²	12	43.4 Å²	43.4	12%	0.124	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-10.9	176.7	0	0	0	0	0	115.5	K157 E168 A169	K157-G165 WeakPolarHBondContact O-CA 3.2Å; G165-E168 WeakPolarHBondContact CA-OE2 3.32Å; G165-E168 PolarHBondContact N-OE2 3.31Å; G165-A169 VanDerWaalsContact O-CB 3.26Å; G165-A169 WeakPolarHBondContact O-CB 3.25Å; G165-A169 PolarHBondContact O-N 2.73Å
166	L	97.9	Very high	96.9	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-73.8	-42.2	-176.7	-64.4	-175.6	0	0	0	111.8	I33 R36 L37 F124 T158 T164 A169 M170	I33-L166 HydrophobicContact CD1-CD2 4.49Å; I33-L166 HydrophobicContact CG1-CD2 4.35Å; I33-L166 HydrophobicContact CG2-CD2 3.92Å; R36-L166 HydrophobicContact CB-CD1 3.99Å; R36-L166 HydrophobicContact CG-CD1 3.55Å; L37-L166 HydrophobicContact CD2-CB 4.05Å; L37-L166 HydrophobicContact CD2-CD1 4.44Å; F124-L166 HydrophobicContact CD2-CD2 4.29Å; F124-L166 HydrophobicContact CE2-CD2 3.93Å; F124-L166 HydrophobicContact CZ-CD2 4.45Å; T158-L166 HydrophobicContact CG2-CD2 3.88Å; T164-L166 PolarHBondContact O-N 3.41Å; L166-A169 WeakPolarHBondContact O-CB 3.42Å; L166-A169 PolarHBondContact O-N 3.09Å; L166-M170 WeakPolarHBondContact O-CB 3.42Å; L166-M170 VanDerWaalsContact O-CG 3.29Å; L166-M170 WeakPolarHBondContact O-CG 3.21Å; L166-M170 PolarHBondContact O-N 3.21Å
167	D	96.3	Very high	96.5	Very high	94 Å²	94	41.6 Å²	41.6	50%	0.503	21%	0.211	S	C	.	.	H	α-helix	trans	-66.9	-43.8	179	-74.7	-37.7	0	0	0	111.3	Y58 A169 M170 E171	Y58-D167 WeakPolarHBondContact CE2-OD1 3.32Å; Y58-D167 PolarHBondContact OH-O 3.46Å; D167-A169 VanDerWaalsContact C-N 3.29Å; D167-A169 PolarHBondContact O-N 2.93Å; D167-M170 PolarHBondContact O-N 3.08Å; D167-E171 WeakPolarHBondContact O-CB 3.48Å; D167-E171 PolarHBondContact O-N 2.85Å
168	E	97.6	Very high	96	Very high	115 Å²	115	40.4 Å²	40.4	54%	0.537	21%	0.206	S	C	.	.	H	α-helix	trans	-61.7	-39.9	177.6	-61.1	87.6	164	0	0	111.6	F156 G165 W172	F156-E168 HydrophobicContact CD1-CB 4.5Å; F156-E168 HydrophobicContact CE1-CB 4.43Å; G165-E168 WeakPolarHBondContact CA-OE2 3.32Å; G165-E168 PolarHBondContact N-OE2 3.31Å; E168-W172 WeakPolarHBondContact O-CB 3.17Å; E168-W172 PolarHBondContact O-N 3.05Å; E168-W172 VanDerWaalsContact O-N 3.1Å
169	A	98.4	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-47.2	174.3	0	0	0	0	0	113.1	F124 F156 G165 L166 D167 E171 W172 L173	F124-A169 HydrophobicContact CD1-CB 4.34Å; F124-A169 HydrophobicContact CE1-CB 3.25Å; F124-A169 HydrophobicContact CZ-CB 3.54Å; F156-A169 HydrophobicContact CB-CB 4.09Å; F156-A169 HydrophobicContact CD1-CB 4.11Å; F156-A169 HydrophobicContact CD2-CB 3.7Å; F156-A169 HydrophobicContact CE2-CB 4.13Å; F156-A169 HydrophobicContact CG-CB 3.69Å; G165-A169 VanDerWaalsContact O-CB 3.26Å; G165-A169 WeakPolarHBondContact O-CB 3.25Å; G165-A169 PolarHBondContact O-N 2.73Å; L166-A169 WeakPolarHBondContact O-CB 3.42Å; L166-A169 PolarHBondContact O-N 3.09Å; D167-A169 VanDerWaalsContact C-N 3.29Å; D167-A169 PolarHBondContact O-N 2.93Å; A169-E171 VanDerWaalsContact C-N 3.33Å; A169-W172 PolarHBondContact O-N 3.18Å; A169-L173 WeakPolarHBondContact O-CB 3.41Å; A169-L173 PolarHBondContact O-N 2.66Å
170	M	97.1	Very high	94.3	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.02	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-36.7	-179.5	-71.3	-55	-60.9	0	0	111.3	L37 Y58 F63 I89 L166 D167 L173 V174	L37-M170 HydrophobicContact CD1-CG 4.3Å; L37-M170 HydrophobicContact CD1-SD 4.03Å; L37-M170 HydrophobicContact CD2-CG 3.72Å; Y58-M170 HydrophobicContact CD1-CB 4.19Å; Y58-M170 HydrophobicContact CD2-CB 3.98Å; Y58-M170 HydrophobicContact CD2-CG 4.41Å; Y58-M170 HydrophobicContact CE1-CB 3.98Å; Y58-M170 HydrophobicContact CE2-CB 3.78Å; Y58-M170 HydrophobicContact CE2-CG 4.44Å; Y58-M170 HydrophobicContact CG-CB 4.18Å; F63-M170 HydrophobicContact CD2-CE 3.87Å; F63-M170 HydrophobicContact CE2-CE 3.61Å; F63-M170 HydrophobicContact CZ-CE 4.24Å; I89-M170 HydrophobicContact CD1-SD 4.36Å; L166-M170 WeakPolarHBondContact O-CB 3.42Å; L166-M170 VanDerWaalsContact O-CG 3.29Å; L166-M170 WeakPolarHBondContact O-CG 3.21Å; L166-M170 PolarHBondContact O-N 3.21Å; D167-M170 PolarHBondContact O-N 3.08Å; M170-L173 HydrophobicContact CE-CD2 4.26Å; M170-L173 PolarHBondContact O-N 2.92Å; M170-L173 HydrophobicContact SD-CD2 4.23Å; M170-V174 WeakPolarHBondContact O-CB 3.21Å; M170-V174 WeakPolarHBondContact O-CG2 3.48Å; M170-V174 PolarHBondContact O-N 3.48Å
171	E	96.4	Very high	92.2	Very high	50 Å²	50	56.4 Å²	56.4	23%	0.234	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-52	173.3	-169.6	63.2	-169.7	0	0	111.2	K59 D167 A169 L173 V174 E175	K59-E171 WeakPolarHBondContact CE-OE2 3.24Å; K59-E171 IonicContact NZ-OE1 2.69Å; K59-E171 PolarHBondContact NZ-OE1 3.09Å; K59-E171 IonicContact NZ-OE2 3.09Å; K59-E171 PolarHBondContact NZ-OE2 3.04Å; D167-E171 WeakPolarHBondContact O-CB 3.48Å; D167-E171 PolarHBondContact O-N 2.85Å; A169-E171 VanDerWaalsContact C-N 3.33Å; E171-L173 VanDerWaalsContact C-N 3.27Å; E171-L173 PolarHBondContact O-N 3.05Å; E171-V174 PolarHBondContact O-N 3.45Å; E171-E175 WeakPolarHBondContact O-CG 3.31Å; E171-E175 PolarHBondContact O-N 3.06Å
172	W	97.6	Very high	92	Very high	55 Å²	55	56 Å²	56	21%	0.208	28%	0.277	C	S	.	.	H	α-helix	trans	-58.9	-40.6	177.3	179.6	86.7	0	0	0	112.1	I120 V122 Q154 F156 E168 A169 T176	I120-W172 HydrophobicContact CG2-CH2 3.79Å; I120-W172 HydrophobicContact CG2-CZ3 3.67Å; V122-W172 HydrophobicContact CG2-CE3 4.08Å; V122-W172 HydrophobicContact CG2-CZ3 3.73Å; Q154-W172 HydrophobicContact CB-CD2 3.84Å; Q154-W172 HydrophobicContact CB-CE3 3.97Å; Q154-W172 HydrophobicContact CB-CH2 3.54Å; Q154-W172 HydrophobicContact CB-CZ2 3.38Å; Q154-W172 HydrophobicContact CB-CZ3 3.84Å; Q154-W172 HydrophobicContact CG-CD2 4.24Å; Q154-W172 HydrophobicContact CG-CZ2 4.38Å; F156-W172 HydrophobicContact CE1-CB 4.36Å; F156-W172 HydrophobicContact CE2-CB 4.11Å; F156-W172 HydrophobicContact CE2-CD2 4.06Å; F156-W172 HydrophobicContact CE2-CE3 4.01Å; F156-W172 HydrophobicContact CE2-CG 4.12Å; F156-W172 HydrophobicContact CZ-CB 3.46Å; F156-W172 VanDerWaalsContact CZ-CB 3.46Å; F156-W172 HydrophobicContact CZ-CD2 4.04Å; F156-W172 HydrophobicContact CZ-CE3 4.42Å; F156-W172 AromaticContact CZ-CG 3.62Å; F156-W172 HydrophobicContact CZ-CG 3.62Å; E168-W172 WeakPolarHBondContact O-CB 3.17Å; E168-W172 PolarHBondContact O-N 3.05Å; E168-W172 VanDerWaalsContact O-N 3.1Å; A169-W172 PolarHBondContact O-N 3.18Å; W172-T176 HydrophobicContact CH2-CG2 4.25Å; W172-T176 HydrophobicContact CZ2-CG2 4.34Å; W172-T176 VanDerWaalsContact O-CB 3.24Å; W172-T176 WeakPolarHBondContact O-CB 3.41Å; W172-T176 PolarHBondContact O-N 3.31Å; W172-T176 PolarHBondContact O-OG1 2.8Å
173	L	96.4	Very high	91.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-47.4	177.8	177.4	57.2	0	0	0	111.1	I20 A87 I89 I120 V122 A169 M170 E171 E175 T176 L177	I20-L173 HydrophobicContact CD1-CD2 3.66Å; A87-L173 HydrophobicContact CB-CD1 3.64Å; A87-L173 HydrophobicContact CB-CD2 4.49Å; I89-L173 HydrophobicContact CD1-CD2 4.45Å; I120-L173 HydrophobicContact CB-CD1 4.4Å; I120-L173 HydrophobicContact CD1-CD1 4.21Å; I120-L173 HydrophobicContact CG2-CD1 4.18Å; V122-L173 HydrophobicContact CG2-CB 4.23Å; V122-L173 HydrophobicContact CG2-CD1 3.84Å; V122-L173 HydrophobicContact CG2-CD2 4.27Å; V122-L173 HydrophobicContact CG2-CG 4.33Å; A169-L173 WeakPolarHBondContact O-CB 3.41Å; A169-L173 PolarHBondContact O-N 2.66Å; M170-L173 HydrophobicContact CE-CD2 4.26Å; M170-L173 PolarHBondContact O-N 2.92Å; M170-L173 HydrophobicContact SD-CD2 4.23Å; E171-L173 VanDerWaalsContact C-N 3.27Å; E171-L173 PolarHBondContact O-N 3.05Å; L173-E175 PolarHBondContact O-N 2.62Å; L173-T176 PolarHBondContact O-N 3.43Å; L173-L177 HydrophobicContact CD1-CD1 3.75Å; L173-L177 HydrophobicContact CD1-CG 3.93Å; L173-L177 HydrophobicContact CG-CD1 3.79Å; L173-L177 HydrophobicContact CG-CG 4.4Å; L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 VanDerWaalsContact O-CG 3.24Å; L173-L177 WeakPolarHBondContact O-CG 3.28Å; L173-L177 PolarHBondContact O-N 2.83Å
174	V	93.3	Very high	91.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-47.5	177.9	166.1	0	0	0	0	111.1	Y58 L61 F63 M170 E171 L177 K178	Y58-V174 HydrophobicContact CD1-CG2 3.92Å; Y58-V174 HydrophobicContact CE1-CG2 4.5Å; L61-V174 HydrophobicContact CD1-CB 4.35Å; L61-V174 HydrophobicContact CD1-CG1 3.82Å; L61-V174 HydrophobicContact CD1-CG2 4.13Å; F63-V174 HydrophobicContact CE2-CG2 4.14Å; F63-V174 HydrophobicContact CZ-CG2 3.8Å; M170-V174 WeakPolarHBondContact O-CB 3.21Å; M170-V174 WeakPolarHBondContact O-CG2 3.48Å; M170-V174 PolarHBondContact O-N 3.48Å; E171-V174 PolarHBondContact O-N 3.45Å; V174-L177 PolarHBondContact O-N 2.92Å; V174-K178 HydrophobicContact CG1-CD 4Å; V174-K178 WeakPolarHBondContact O-CB 3.46Å; V174-K178 VanDerWaalsContact O-CG 3.31Å; V174-K178 WeakPolarHBondContact O-CG 3.45Å; V174-K178 PolarHBondContact O-N 2.64Å
175	E	93.3	Very high	91.2	Very high	113 Å²	113	52.1 Å²	52.1	53%	0.528	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-43.1	177.5	-70.7	-177.8	162.6	0	0	111.7	E171 L173 L177 K178 S179	E171-E175 WeakPolarHBondContact O-CG 3.31Å; E171-E175 PolarHBondContact O-N 3.06Å; L173-E175 PolarHBondContact O-N 2.62Å; E175-L177 PolarHBondContact O-N 3.1Å; E175-K178 PolarHBondContact O-N 3.3Å; E175-S179 PolarHBondContact O-N 3.25Å
176	T	94.1	Very high	90.8	Very high	12 Å²	12	54.6 Å²	54.6	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-39.1	-179.7	-56.1	0	0	0	0	111.4	I120 K152 W172 L173 S179	I120-T176 HydrophobicContact CD1-CG2 3.5Å; I120-T176 HydrophobicContact CG1-CG2 4.16Å; I120-T176 HydrophobicContact CG2-CG2 4.32Å; K152-T176 HydrophobicContact CB-CG2 4.3Å; K152-T176 HydrophobicContact CD-CG2 3.55Å; W172-T176 HydrophobicContact CH2-CG2 4.25Å; W172-T176 HydrophobicContact CZ2-CG2 4.34Å; W172-T176 VanDerWaalsContact O-CB 3.24Å; W172-T176 WeakPolarHBondContact O-CB 3.41Å; W172-T176 PolarHBondContact O-N 3.31Å; W172-T176 PolarHBondContact O-OG1 2.8Å; L173-T176 PolarHBondContact O-N 3.43Å; T176-S179 PolarHBondContact O-N 3.29Å; T176-S179 PolarHBondContact O-OG 3.16Å
177	L	91	Very high	90.3	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-64.8	-43	174.4	-76.2	169.6	0	0	0	111.9	M18 F63 D86 I120 L173 V174 E175 S179 R180	M18-L177 HydrophobicContact CE-CB 3.87Å; M18-L177 HydrophobicContact CE-CD1 4.06Å; M18-L177 HydrophobicContact CE-CD2 3.68Å; M18-L177 HydrophobicContact CE-CG 4.07Å; M18-L177 HydrophobicContact SD-CB 4.07Å; M18-L177 HydrophobicContact SD-CD1 3.74Å; M18-L177 HydrophobicContact SD-CD2 4.47Å; M18-L177 HydrophobicContact SD-CG 4.31Å; F63-L177 HydrophobicContact CE1-CD1 3.75Å; F63-L177 HydrophobicContact CZ-CD1 4.35Å; D86-L177 HydrophobicContact CB-CD2 4.09Å; I120-L177 HydrophobicContact CD1-CB 4.41Å; I120-L177 HydrophobicContact CD1-CD2 3.45Å; I120-L177 VanDerWaalsContact CD1-CD2 3.45Å; I120-L177 HydrophobicContact CD1-CG 3.64Å; I120-L177 HydrophobicContact CG1-CD2 4.38Å; L173-L177 HydrophobicContact CD1-CD1 3.75Å; L173-L177 HydrophobicContact CD1-CG 3.93Å; L173-L177 HydrophobicContact CG-CD1 3.79Å; L173-L177 HydrophobicContact CG-CG 4.4Å; L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 VanDerWaalsContact O-CG 3.24Å; L173-L177 WeakPolarHBondContact O-CG 3.28Å; L173-L177 PolarHBondContact O-N 2.83Å; V174-L177 PolarHBondContact O-N 2.92Å; E175-L177 PolarHBondContact O-N 3.1Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.43Å; L177-R180 PolarHBondContact O-N 3.25Å
178	K	87.5	Confident	89.9	Confident	79 Å²	79	55.4 Å²	55.4	34%	0.343	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-38.7	173.9	-77.7	169.9	178.8	174.3	0	112.2	F13 V174 E175 R180 Q181	F13-K178 HydrophobicContact CE1-CD 4.3Å; F13-K178 VanDerWaalsContact CE1-CE 3.48Å; F13-K178 HydrophobicContact CE1-CG 3.92Å; F13-K178 HydrophobicContact CE2-CG 4.19Å; F13-K178 HydrophobicContact CZ-CD 4.27Å; F13-K178 HydrophobicContact CZ-CG 3.4Å; V174-K178 HydrophobicContact CG1-CD 4Å; V174-K178 WeakPolarHBondContact O-CB 3.46Å; V174-K178 VanDerWaalsContact O-CG 3.31Å; V174-K178 WeakPolarHBondContact O-CG 3.45Å; V174-K178 PolarHBondContact O-N 2.64Å; E175-K178 PolarHBondContact O-N 3.3Å; K178-R180 PolarHBondContact O-N 3.28Å; K178-Q181 PolarHBondContact O-N 3.31Å
179	S	85.5	Confident	89.3	Confident	70 Å²	70	50.8 Å²	50.8	49%	0.49	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.3	-178.5	77.4	0	0	0	0	115.5	K152 E175 T176 L177	K152-S179 PolarHBondContact NZ-OG 3.14Å; E175-S179 PolarHBondContact O-N 3.25Å; T176-S179 PolarHBondContact O-N 3.29Å; T176-S179 PolarHBondContact O-OG 3.16Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.43Å
180	R	75.8	Confident	88.5	Confident	101 Å²	101	55 Å²	55	38%	0.381	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-6.5	-177.5	-77.5	179.4	163.7	-160.9	-5.9	114	K118 I120 L177 K178	K118-R180 PolarHBondContact O-NH1 3.42Å; K118-R180 PolarHBondContact O-NH2 2.73Å; I120-R180 VanDerWaalsContact CG1-NH1 3.35Å; L177-R180 PolarHBondContact O-N 3.25Å; K178-R180 PolarHBondContact O-N 3.28Å
181	Q	54.3	Low	87.7	Confident	168 Å²	168	59.6 Å²	59.6	79%	0.785	28%	0.281	S	S	*	.			trans	-108.7	0	-176.7	-64.9	-174.2	8.9	0	0	111.8	K178	K178-Q181 PolarHBondContact O-N 3.31Å

Retrieved 181 of 181 residues in 413.2 ms (Link to these results)

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