A0A3Q0KK56_SCHMA Loading...

Ran-specific GTPase-activating protein

Plays a role in RAN-dependent nucleocytoplasmic transport. Alleviates the TNPO1-dependent inhibition of RAN GTPase activity and mediates the dissociation of RAN from proteins involved in transport into the nucleus. Induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins. Promotes the disassembly of the complex formed by RAN and importin beta. Promotes dissociation of RAN from a complex with KPNA2 and CSE1L. Required for normal mitotic spindle assembly and normal progress through mitosis via its effect on RAN. Does not increase the RAN GTPase activity by itself, but increases GTP hydrolysis mediated by RANGAP1. Inhibits RCC1-dependent exchange of RAN-bound GDP by GTP.

AlphaFold DB , UniProt , Accession A0A3Q0KK56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 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	50.1	Low	65.6	Low	241 Å²	241	155.2 Å²	155.2	100%	1.187	83%	0.825	S	S	*	*				0	104.6	0	-70.5	169.9	175.2	0	0	106.4	S3	M1-S3 PolarHBondContact O-N 3.39Å
2	H	51.7	Low	67.6	Low	196 Å²	196	149 Å²	149	91%	0.907	80%	0.801	S	S	*	*			trans	-86.3	103.9	173.3	-79.3	77.5	0	0	0	106.9	V4	H2-V4 PolarHBondContact O-N 3.42Å
3	S	52.7	Low	69.6	Low	111 Å²	111	152 Å²	152	78%	0.776	80%	0.796	S	S	*	*			trans	-71.4	116.7	170.4	48.5	0	0	0	0	108.4	M1 S5	M1-S3 PolarHBondContact O-N 3.39Å; S3-S5 PolarHBondContact O-N 3.18Å
4	V	57.3	Low	71.3	Confident	134 Å²	134	152.6 Å²	152.6	81%	0.812	79%	0.789	S	S	*	*			trans	-69.6	107.2	166.6	-177.9	0	0	0	0	106	H2 E6	H2-V4 PolarHBondContact O-N 3.42Å; V4-E6 PolarHBondContact O-N 3.31Å
5	S	57.1	Low	72.8	Confident	81 Å²	81	153.5 Å²	153.5	57%	0.566	79%	0.788	S	S	*	*			trans	-71.1	109.7	166.5	50.7	0	0	0	0	107.3	S3 H7	S3-S5 PolarHBondContact O-N 3.18Å; S5-H7 VanDerWaalsContact C-N 3.26Å; S5-H7 PolarHBondContact O-N 3.09Å
6	E	60.6	Low	74.1	Confident	178 Å²	178	149.3 Å²	149.3	83%	0.832	77%	0.774	S	S	*	*			trans	-64.9	91.7	165.6	-70.5	177.4	165.8	0	0	107.4	V4 E8	V4-E6 PolarHBondContact O-N 3.31Å; E6-E8 VanDerWaalsContact C-N 3.33Å; E6-E8 PolarHBondContact O-N 3.4Å; E6-E8 VanDerWaalsContact O-N 3.12Å
7	H	63.9	Low	75.3	Confident	159 Å²	159	149.5 Å²	149.5	74%	0.736	78%	0.783	S	S	*	*			trans	-70.3	98.5	160.9	-80.5	-66.6	0	0	0	106.3	S5 D9	S5-H7 VanDerWaalsContact C-N 3.26Å; S5-H7 PolarHBondContact O-N 3.09Å; H7-D9 PolarHBondContact O-N 2.88Å; H7-D9 VanDerWaalsContact O-N 3.12Å
8	E	74.5	Confident	76.4	Confident	182 Å²	182	148.1 Å²	148.1	85%	0.85	78%	0.775	S	S	*	*			trans	-60.8	110.4	163.8	-73.2	-172.4	155	0	0	107.6	E6	E6-E8 VanDerWaalsContact C-N 3.33Å; E6-E8 PolarHBondContact O-N 3.4Å; E6-E8 VanDerWaalsContact O-N 3.12Å
9	D	80	Confident	77.2	Confident	146 Å²	146	147.1 Å²	147.1	78%	0.781	78%	0.776	S	S	*	*			trans	-60.7	129.9	172.5	-74.4	-43.3	0	0	0	108.7	H7 D11	H7-D9 PolarHBondContact O-N 2.88Å; H7-D9 VanDerWaalsContact O-N 3.12Å; D9-D11 PolarHBondContact O-N 3.21Å
10	P	85.5	Confident	78	Confident	122 Å²	122	146.6 Å²	146.6	79%	0.792	77%	0.773	S	S	*	*			trans	-64.9	121.4	177.4	24.3	-31	0	0	0	110.3	P12	P10-P12 WeakPolarHBondContact O-CD 3.2Å
11	D	87.8	Confident	78.7	Confident	157 Å²	157	144.5 Å²	144.5	84%	0.84	77%	0.768	S	S	*	*			trans	-99.6	90	174.2	-175	21.8	0	0	0	110.2	D9 Y13	D9-D11 PolarHBondContact O-N 3.21Å; D11-Y13 PolarHBondContact O-N 3.22Å
12	P	90.5	Very high	80.6	Confident	81 Å²	81	139.6 Å²	139.6	53%	0.526	75%	0.754	S	S	.	*			trans	-68.1	124.9	-177.6	26.7	-34	0	0	0	111.3	P10 F14	P10-P12 WeakPolarHBondContact O-CD 3.2Å; P12-F14 HydrophobicContact CB-CE2 3.94Å; P12-F14 HydrophobicContact CB-CZ 4.18Å; P12-F14 HydrophobicContact CG-CE2 3.87Å; P12-F14 HydrophobicContact CG-CZ 4.27Å; P12-F14 VanDerWaalsContact O-CD2 3.28Å; P12-F14 WeakPolarHBondContact O-CD2 3.07Å; P12-F14 WeakPolarHBondContact O-CE2 3.46Å
13	Y	92.7	Very high	82.5	Confident	188 Å²	188	137.1 Å²	137.1	74%	0.737	75%	0.747	S	S	*	*			trans	-75.9	138.9	173.7	178.7	-97.1	0	0	0	111.9	D11	D11-Y13 PolarHBondContact O-N 3.22Å
14	F	93.9	Very high	84.2	Confident	160 Å²	160	138.5 Å²	138.5	70%	0.702	75%	0.751	S	S	*	*			trans	-127	135.7	170.7	-60.4	-88.3	0	0	0	109.9	P12 P16	P12-F14 HydrophobicContact CB-CE2 3.94Å; P12-F14 HydrophobicContact CB-CZ 4.18Å; P12-F14 HydrophobicContact CG-CE2 3.87Å; P12-F14 HydrophobicContact CG-CZ 4.27Å; P12-F14 VanDerWaalsContact O-CD2 3.28Å; P12-F14 WeakPolarHBondContact O-CD2 3.07Å; P12-F14 WeakPolarHBondContact O-CE2 3.46Å; F14-P16 WeakPolarHBondContact O-CD 3.33Å
15	E	93.2	Very high	85.6	Confident	166 Å²	166	138 Å²	138	78%	0.776	75%	0.747	S	S	*	*			trans	-67.3	127.4	173.9	-172.4	172.4	-165.5	0	0	109.9	V17	E15-V17 PolarHBondContact O-N 3.24Å
16	P	94.3	Very high	87	Confident	86 Å²	86	138.4 Å²	138.4	56%	0.558	75%	0.749	S	S	*	*			trans	-61.5	130.1	178.5	-23.8	33.9	0	0	0	112.2	F14 I18	F14-P16 WeakPolarHBondContact O-CD 3.33Å; P16-I18 VanDerWaalsContact C-N 3.26Å; P16-I18 PolarHBondContact O-N 3.33Å
17	V	95	Very high	88.2	Confident	154 Å²	154	131.7 Å²	131.7	93%	0.933	72%	0.722	S	S	*	*	S	Bend	trans	-68.2	-28.4	175.7	-178.8	0	0	0	0	111.8	E15	E15-V17 PolarHBondContact O-N 3.24Å
18	I	94.1	Very high	89.4	Confident	123 Å²	123	128.3 Å²	128.3	63%	0.631	72%	0.716	S	S	*	*			trans	-150	142.8	-178.5	-170.4	166.9	0	0	0	110.8	P16 L20	P16-I18 VanDerWaalsContact C-N 3.26Å; P16-I18 PolarHBondContact O-N 3.33Å; I18-L20 HydrophobicContact CG2-CD2 4.35Å
19	T	92.3	Very high	90.2	Very high	130 Å²	130	120.8 Å²	120.8	80%	0.798	68%	0.681	S	S	*	*			trans	-91.8	115.9	169.3	-55.9	0	0	0	0	109.2
20	L	93.1	Very high	90.8	Very high	137 Å²	137	120.1 Å²	120.1	72%	0.717	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-83.7	125.7	174.8	-63.4	177.4	0	0	0	109.7	I18	I18-L20 HydrophobicContact CG2-CD2 4.35Å
21	P	92	Very high	91.2	Very high	102 Å²	102	118 Å²	118	66%	0.662	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-66.5	148.9	174.8	28.6	-33.8	0	0	0	110.2	L23	P21-L23 PolarHBondContact O-N 3.5Å
22	P	91.2	Very high	91.6	Very high	139 Å²	139	111.6 Å²	111.6	90%	0.903	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-56.1	128.8	170	-23.1	33.4	0	0	0	110.5
23	L	90.5	Very high	92	Very high	144 Å²	144	111.6 Å²	111.6	75%	0.754	61%	0.613	S	S	*	*			trans	-118.1	126.8	178.5	178	65.1	0	0	0	109.8	P21 V25	P21-L23 PolarHBondContact O-N 3.5Å; L23-V25 PolarHBondContact O-N 2.84Å
24	T	88.8	Confident	92.2	Very high	140 Å²	140	105.7 Å²	105.7	86%	0.859	60%	0.599	S	S	*	*			trans	-74.7	111.8	167.6	-54.8	0	0	0	0	108.9
25	V	86.8	Confident	92.4	Very high	122 Å²	122	100.5 Å²	100.5	74%	0.739	58%	0.578	S	S	*	*			trans	-85.7	127.1	179.1	-177.8	0	0	0	0	109.6	L23	L23-V25 PolarHBondContact O-N 2.84Å
26	C	86.6	Confident	92.7	Very high	90 Å²	90	92.7 Å²	92.7	61%	0.608	54%	0.542	S	S	*	.			trans	-94.6	133.1	169.4	-176.6	0	0	0	0	109.3	S28	C26-S28 PolarHBondContact O-N 3.22Å; C26-S28 PolarHBondContact SG-N 3.32Å
27	S	86.3	Confident	92.8	Very high	38 Å²	38	94.6 Å²	94.6	27%	0.266	54%	0.541	S	S	.	.			trans	-69.9	-15.3	178.5	70.4	0	0	0	0	113.7	E29 E30 R78	S27-E29 PolarHBondContact O-N 3.4Å; S27-E29 WeakPolarHBondContact OG-CB 3.01Å; S27-E29 PolarHBondContact OG-N 3.06Å; S27-E29 VanDerWaalsContact OG-N 3.1Å; S27-E30 WeakPolarHBondContact CB-OE1 3.48Å; S27-E30 PolarHBondContact OG-OE1 2.96Å; S27-R78 PolarHBondContact O-NH2 2.82Å
28	S	88.1	Confident	93	Very high	87 Å²	87	89.4 Å²	89.4	61%	0.608	51%	0.506	S	S	*	.	S	Bend	trans	54.2	25.3	-166.8	48.6	0	0	0	0	114.3	C26 R74	C26-S28 PolarHBondContact O-N 3.22Å; C26-S28 PolarHBondContact SG-N 3.32Å; S28-R74 PolarHBondContact O-NH2 2.89Å
29	E	92.3	Very high	93.2	Very high	24 Å²	24	89.9 Å²	89.9	11%	0.112	50%	0.5	C	S	.	.			trans	-115.8	1.4	176.4	-61	168.2	-140	0	0	111.9	S27 N31 E32 K63 L65 L76 R78	S27-E29 PolarHBondContact O-N 3.4Å; S27-E29 WeakPolarHBondContact OG-CB 3.01Å; S27-E29 PolarHBondContact OG-N 3.06Å; S27-E29 VanDerWaalsContact OG-N 3.1Å; E29-N31 PolarHBondContact O-N 2.86Å; E29-E32 WeakPolarHBondContact O-CB 3.4Å; E29-E32 PolarHBondContact O-N 3.35Å; E29-E32 VanDerWaalsContact O-N 3.14Å; E29-K63 IonicContact OE2-NZ 2.74Å; E29-K63 PolarHBondContact OE2-NZ 2.99Å; E29-L65 HydrophobicContact CB-CD1 4.42Å; E29-L65 HydrophobicContact CG-CD1 4.03Å; E29-L76 HydrophobicContact CG-CD2 3.71Å; E29-L76 WeakPolarHBondContact OE1-CD2 3.47Å; E29-R78 IonicContact OE1-CZ 2.97Å; E29-R78 IonicContact OE1-NE 2.86Å; E29-R78 PolarHBondContact OE1-NE 3.18Å; E29-R78 IonicContact OE1-NH2 3.01Å; E29-R78 PolarHBondContact OE1-NH2 3.25Å
30	E	91.8	Very high	93.5	Very high	133 Å²	133	83.9 Å²	83.9	62%	0.621	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-26.9	-167.7	-47.2	-50.6	165.3	0	0	115.1	S27 E32	S27-E30 WeakPolarHBondContact CB-OE1 3.48Å; S27-E30 PolarHBondContact OG-OE1 2.96Å; E30-E32 PolarHBondContact O-N 3.49Å
31	N	94	Very high	93.8	Very high	76 Å²	76	79 Å²	79	41%	0.406	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	22.3	175.7	-165.9	32.7	0	0	0	112.5	E29 R68 T69	E29-N31 PolarHBondContact O-N 2.86Å; N31-R68 WeakPolarHBondContact O-CG 3.49Å; N31-R68 PolarHBondContact O-N 3.36Å; N31-T69 PolarHBondContact ND2-OG1 2.9Å
32	E	97	Very high	94.1	Very high	23 Å²	23	74.1 Å²	74.1	11%	0.107	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.5	-176.1	-52.7	-173.7	130.4	0	0	112.1	E29 E30 L65 R66 R74	E29-E32 WeakPolarHBondContact O-CB 3.4Å; E29-E32 PolarHBondContact O-N 3.35Å; E29-E32 VanDerWaalsContact O-N 3.14Å; E30-E32 PolarHBondContact O-N 3.49Å; E32-L65 HydrophobicContact CB-CB 4.13Å; E32-L65 WeakPolarHBondContact OE2-CD1 3.23Å; E32-R66 CarbonylContact C-O 3.6Å; E32-R66 VanDerWaalsContact CA-O 3.26Å; E32-R66 WeakPolarHBondContact CA-O 3.32Å; E32-R74 VanDerWaalsContact CD-NE 3.26Å; E32-R74 VanDerWaalsContact CD-NH2 3.3Å; E32-R74 WeakPolarHBondContact OE1-CD 3.35Å; E32-R74 IonicContact OE1-CZ 3.34Å; E32-R74 IonicContact OE1-NE 2.81Å; E32-R74 PolarHBondContact OE1-NE 3.02Å; E32-R74 IonicContact OE1-NH2 3.46Å; E32-R74 PolarHBondContact OE1-NH2 3.01Å; E32-R74 IonicContact OE2-CZ 3.17Å; E32-R74 IonicContact OE2-NE 2.94Å; E32-R74 PolarHBondContact OE2-NE 2.86Å; E32-R74 IonicContact OE2-NH2 2.63Å; E32-R74 PolarHBondContact OE2-NH2 3.49Å
33	E	97.1	Very high	94.4	Very high	82 Å²	82	67.9 Å²	67.9	38%	0.383	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.4	172.1	-179.6	176.3	-152.6	0	0	109.3	L35 L65 R66	E33-L35 HydrophobicContact CG-CD2 3.96Å; E33-L35 PolarHBondContact O-N 2.67Å; E33-L65 CarbonylContact O-C 3.56Å; E33-L65 VanDerWaalsContact O-CA 3.31Å; E33-L65 WeakPolarHBondContact O-CA 3.35Å; E33-R66 PolarHBondContact N-O 2.81Å; E33-R66 PolarHBondContact O-N 3.43Å
34	C	97.8	Very high	94.7	Very high	63 Å²	63	63.6 Å²	63.6	43%	0.426	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	108.4	178.7	-171.9	0	0	0	0	110.2	F36 L65	C34-F36 PolarHBondContact SG-O 2.7Å; C34-F36 VanDerWaalsContact SG-O 3.38Å; C34-L65 HydrophobicContact CB-CD2 3.77Å
35	L	98.2	Very high	95.1	Very high	51 Å²	51	59 Å²	59	27%	0.267	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-26.2	-176	-60.5	176.3	0	0	0	113	E33 I64 R66 Y73 V141	E33-L35 HydrophobicContact CG-CD2 3.96Å; E33-L35 PolarHBondContact O-N 2.67Å; L35-I64 PolarHBondContact N-O 3.14Å; L35-R66 HydrophobicContact CD1-CB 3.7Å; L35-R66 HydrophobicContact CG-CB 4.29Å; L35-Y73 HydrophobicContact CD1-CD1 3.78Å; L35-Y73 HydrophobicContact CD1-CE1 3.12Å; L35-V141 HydrophobicContact CB-CG1 3.83Å
36	F	98.6	Very high	95.5	Very high	3 Å²	3	54.3 Å²	54.3	1%	0.013	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.3	174.8	175.8	-96.9	0	0	0	109.4	C34 Q38 L62 K63 I64 Y129 E137 F138 V141	C34-F36 PolarHBondContact SG-O 2.7Å; C34-F36 VanDerWaalsContact SG-O 3.38Å; F36-Q38 HydrophobicContact CD2-CG 4.36Å; F36-Q38 HydrophobicContact CE1-CB 3.87Å; F36-Q38 HydrophobicContact CE1-CG 4.1Å; F36-Q38 HydrophobicContact CE2-CB 4.14Å; F36-Q38 HydrophobicContact CE2-CG 3.48Å; F36-Q38 VanDerWaalsContact CE2-CG 3.48Å; F36-Q38 HydrophobicContact CZ-CB 3.44Å; F36-Q38 VanDerWaalsContact CZ-CB 3.44Å; F36-Q38 HydrophobicContact CZ-CG 3.33Å; F36-L62 HydrophobicContact CD1-CD2 3.95Å; F36-L62 HydrophobicContact CE1-CD2 3.9Å; F36-K63 WeakPolarHBondContact O-CA 3.45Å; F36-I64 HydrophobicContact CB-CB 4Å; F36-I64 HydrophobicContact CB-CD1 4.26Å; F36-I64 HydrophobicContact CB-CG1 4.19Å; F36-I64 HydrophobicContact CD1-CG1 4.44Å; F36-I64 PolarHBondContact N-O 2.9Å; F36-I64 PolarHBondContact O-N 3.42Å; F36-I64 VanDerWaalsContact O-N 3.1Å; F36-Y129 AromaticContact CE1-CE1 3.99Å; F36-Y129 HydrophobicContact CE1-CE1 3.99Å; F36-Y129 AromaticContact CZ-CE1 3.74Å; F36-Y129 HydrophobicContact CZ-CE1 3.74Å; F36-Y129 AromaticContact CZ-CZ 3.95Å; F36-E137 HydrophobicContact CD2-CB 4.48Å; F36-E137 HydrophobicContact CD2-CG 3.89Å; F36-E137 HydrophobicContact CE2-CB 4.06Å; F36-E137 HydrophobicContact CE2-CG 3.92Å; F36-F138 HydrophobicContact CD1-CD2 4.11Å; F36-F138 HydrophobicContact CD2-CB 4.49Å; F36-F138 HydrophobicContact CE1-CB 4.02Å; F36-F138 AromaticContact CE1-CD2 3.89Å; F36-F138 HydrophobicContact CE1-CD2 3.89Å; F36-F138 HydrophobicContact CE1-CG 4.39Å; F36-F138 HydrophobicContact CE2-CB 3.84Å; F36-F138 HydrophobicContact CZ-CB 3.55Å; F36-F138 HydrophobicContact CZ-CD2 4.32Å; F36-F138 HydrophobicContact CZ-CG 4.38Å; F36-V141 HydrophobicContact CB-CB 4.22Å; F36-V141 HydrophobicContact CB-CG1 4.01Å; F36-V141 HydrophobicContact CB-CG2 4.33Å
37	K	98.3	Very high	95.9	Very high	126 Å²	126	55 Å²	55	55%	0.548	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	101.9	177.9	-174.8	-178.9	177.8	-176.9	0	110.7	V61 L62 K63	K37-V61 HydrophobicContact CD-CG1 4.33Å; K37-V61 HydrophobicContact CG-CG1 3.44Å; K37-V61 VanDerWaalsContact CG-CG1 3.44Å; K37-L62 WeakPolarHBondContact CA-O 3.49Å; K37-K63 HydrophobicContact CG-CG 4.35Å
38	Q	98.4	Very high	96.3	Very high	44 Å²	44	60.2 Å²	60.2	21%	0.206	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.9	175.9	-64.2	-64.3	-3.4	0	0	112.2	F36 L62 Y129 Y134 E137	F36-Q38 HydrophobicContact CD2-CG 4.36Å; F36-Q38 HydrophobicContact CE1-CB 3.87Å; F36-Q38 HydrophobicContact CE1-CG 4.1Å; F36-Q38 HydrophobicContact CE2-CB 4.14Å; F36-Q38 HydrophobicContact CE2-CG 3.48Å; F36-Q38 VanDerWaalsContact CE2-CG 3.48Å; F36-Q38 HydrophobicContact CZ-CB 3.44Å; F36-Q38 VanDerWaalsContact CZ-CB 3.44Å; F36-Q38 HydrophobicContact CZ-CG 3.33Å; Q38-L62 PolarHBondContact N-O 3.26Å; Q38-L62 VanDerWaalsContact N-O 3.12Å; Q38-L62 PolarHBondContact O-N 3.1Å; Q38-Y129 HydrophobicContact CB-CD1 4.24Å; Q38-Y129 HydrophobicContact CB-CE1 4Å; Q38-Y134 HydrophobicContact CG-CD1 3.97Å; Q38-Y134 HydrophobicContact CG-CG 4.05Å; Q38-E137 PolarHBondContact NE2-OE2 2.94Å
39	R	98.4	Very high	96.5	Very high	133 Å²	133	60.2 Å²	60.2	50%	0.502	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.1	172.1	-175.6	176.8	-177.1	74.9	1.1	110	G60 D80	R39-G60 CarbonylContact C-O 3.54Å; R39-G60 WeakPolarHBondContact CA-O 3.45Å; R39-D80 IonicContact CZ-OD2 3.19Å; R39-D80 VanDerWaalsContact NH1-CG 3.34Å; R39-D80 IonicContact NH1-OD1 3.21Å; R39-D80 PolarHBondContact NH1-OD1 3.31Å; R39-D80 IonicContact NH1-OD2 2.69Å; R39-D80 PolarHBondContact NH1-OD2 2.87Å; R39-D80 IonicContact NH2-OD2 2.65Å; R39-D80 PolarHBondContact NH2-OD2 3.06Å
40	A	98.4	Very high	96.5	Very high	5 Å²	5	66.8 Å²	66.8	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	163.6	-178.9	0	0	0	0	0	111.8	G60 L62 M77 V127 Y129	A40-G60 PolarHBondContact N-O 3.27Å; A40-G60 PolarHBondContact O-N 3.5Å; A40-G60 VanDerWaalsContact O-N 3.13Å; A40-L62 HydrophobicContact CB-CB 4.2Å; A40-M77 HydrophobicContact CB-CE 4.29Å; A40-M77 WeakPolarHBondContact O-CE 3.45Å; A40-V127 HydrophobicContact CB-CG2 3.65Å; A40-Y129 HydrophobicContact CB-CD1 3.97Å; A40-Y129 HydrophobicContact CB-CE1 3.64Å
41	Q	98.3	Very high	96.6	Very high	34 Å²	34	64.9 Å²	64.9	16%	0.159	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.6	163.7	-175.9	171.3	18	0	0	108.7	F43 E56 V59 V127 R128	Q41-F43 HydrophobicContact CB-CE2 4.13Å; Q41-F43 HydrophobicContact CB-CZ 4.41Å; Q41-F43 HydrophobicContact CG-CD2 4.47Å; Q41-F43 HydrophobicContact CG-CE1 4.31Å; Q41-F43 HydrophobicContact CG-CE2 3.65Å; Q41-F43 HydrophobicContact CG-CZ 3.55Å; Q41-E56 VanDerWaalsContact NE2-CD 3.25Å; Q41-E56 PolarHBondContact NE2-OE1 3.46Å; Q41-V59 HydrophobicContact CB-CG2 4.25Å; Q41-V59 HydrophobicContact CG-CG2 3.84Å; Q41-V127 WeakPolarHBondContact O-CA 3.1Å; Q41-R128 PolarHBondContact N-O 3.45Å; Q41-R128 PolarHBondContact O-N 2.89Å
42	L	98.5	Very high	96.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.5	-179	-171.8	75.1	0	0	0	109.8	R57 G58 M77 C86 A87 W109 L125 G126 V127	L42-R57 HydrophobicContact CB-CB 4.35Å; L42-R57 HydrophobicContact CD2-CB 4.05Å; L42-R57 HydrophobicContact CD2-CG 3.8Å; L42-R57 HydrophobicContact CG-CB 4.1Å; L42-R57 HydrophobicContact CG-CG 4.39Å; L42-R57 WeakPolarHBondContact O-CA 3.45Å; L42-R57 WeakPolarHBondContact O-CB 3.28Å; L42-R57 PolarHBondContact O-N 2.94Å; L42-G58 PolarHBondContact N-O 2.89Å; L42-G58 PolarHBondContact O-N 3.38Å; L42-M77 HydrophobicContact CB-CE 4.05Å; L42-M77 HydrophobicContact CB-SD 3.64Å; L42-M77 HydrophobicContact CD2-SD 4.09Å; L42-M77 HydrophobicContact CG-SD 4.32Å; L42-C86 WeakPolarHBondContact CD2-O 3.47Å; L42-A87 HydrophobicContact CD2-CB 3.71Å; L42-W109 HydrophobicContact CD1-CH2 3.75Å; L42-W109 HydrophobicContact CD1-CZ2 4.43Å; L42-L125 HydrophobicContact CD1-CB 4.37Å; L42-G126 CarbonylContact C-O 3.58Å; L42-G126 WeakPolarHBondContact CA-O 3.18Å; L42-V127 HydrophobicContact CD1-CB 4.47Å
43	F	98	Very high	96.6	Very high	7 Å²	7	66.9 Å²	66.9	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	153.7	177.3	-57.2	-92.4	0	0	0	109.3	Q41 W54 K55 E56 L125 G126 R128 I201	Q41-F43 HydrophobicContact CB-CE2 4.13Å; Q41-F43 HydrophobicContact CB-CZ 4.41Å; Q41-F43 HydrophobicContact CG-CD2 4.47Å; Q41-F43 HydrophobicContact CG-CE1 4.31Å; Q41-F43 HydrophobicContact CG-CE2 3.65Å; Q41-F43 HydrophobicContact CG-CZ 3.55Å; F43-W54 HydrophobicContact CB-CE3 3.69Å; F43-W54 HydrophobicContact CB-CZ3 4.24Å; F43-K55 CarbonylContact C-O 3.53Å; F43-K55 VanDerWaalsContact CA-O 3.32Å; F43-K55 WeakPolarHBondContact CA-O 3.38Å; F43-E56 HydrophobicContact CD1-CG 4.24Å; F43-E56 HydrophobicContact CE1-CG 3.94Å; F43-L125 WeakPolarHBondContact O-CA 3.43Å; F43-G126 PolarHBondContact N-O 2.86Å; F43-G126 PolarHBondContact O-N 2.95Å; F43-R128 HydrophobicContact CE2-CB 4Å; F43-I201 HydrophobicContact CD2-CD1 4.18Å; F43-I201 HydrophobicContact CE1-CG2 3.99Å; F43-I201 HydrophobicContact CE2-CD1 4.33Å; F43-I201 HydrophobicContact CG-CD1 4.4Å; F43-I201 HydrophobicContact CZ-CG2 3.94Å
44	R	97.6	Very high	96.6	Very high	55 Å²	55	65.6 Å²	65.6	21%	0.208	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.5	171.3	-170.3	-147.7	-58.7	101.7	-4.8	108.1	K55 R57 E123 L125	R44-K55 PolarHBondContact N-O 2.95Å; R44-K55 PolarHBondContact O-N 3.15Å; R44-R57 HydrophobicContact CB-CB 4.34Å; R44-R57 VanDerWaalsContact NH2-CZ 3.33Å; R44-E123 WeakPolarHBondContact CD-OE2 3.32Å; R44-E123 WeakPolarHBondContact CG-OE2 3.49Å; R44-E123 IonicContact NE-OE1 3.96Å; R44-E123 PolarHBondContact NE-OE1 2.8Å; R44-E123 IonicContact NE-OE2 2.7Å; R44-L125 HydrophobicContact CB-CD2 4.44Å; R44-L125 HydrophobicContact CG-CD2 4.4Å
45	F	97	Very high	96.5	Very high	44 Å²	44	65.1 Å²	65.1	19%	0.193	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	120.8	171.1	-164.5	-115.3	0	0	0	109.4	T47 P52 W54 L124	F45-T47 HydrophobicContact CD1-CG2 3.74Å; F45-T47 HydrophobicContact CE1-CG2 3.87Å; F45-P52 HydrophobicContact CE1-CB 3.69Å; F45-P52 HydrophobicContact CE2-CB 4.16Å; F45-P52 HydrophobicContact CZ-CB 3.4Å; F45-P52 VanDerWaalsContact CZ-CB 3.4Å; F45-W54 HydrophobicContact CB-CD2 4.35Å; F45-W54 HydrophobicContact CB-CE3 3.99Å; F45-W54 HydrophobicContact CB-CH2 3.98Å; F45-W54 HydrophobicContact CB-CZ2 4.31Å; F45-W54 HydrophobicContact CB-CZ3 3.8Å; F45-W54 AromaticContact CD2-CD2 3.81Å; F45-W54 HydrophobicContact CD2-CD2 3.81Å; F45-W54 AromaticContact CD2-CE2 3.64Å; F45-W54 HydrophobicContact CD2-CE3 4.31Å; F45-W54 HydrophobicContact CD2-CG 4.11Å; F45-W54 HydrophobicContact CD2-CZ2 4.03Å; F45-W54 AromaticContact CD2-NE1 3.78Å; F45-W54 HydrophobicContact CG-CZ2 4.46Å; F45-L124 HydrophobicContact CB-CB 3.92Å; F45-L124 HydrophobicContact CB-CD2 3.79Å; F45-L124 HydrophobicContact CB-CG 4.03Å; F45-L124 HydrophobicContact CD1-CD2 3.81Å; F45-L124 HydrophobicContact CG-CD2 3.9Å; F45-L124 PolarHBondContact N-O 3.45Å
46	D	95.8	Very high	96.5	Very high	23 Å²	23	69 Å²	69	12%	0.123	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	118	177	-164.1	-23.1	0	0	0	109.3	I48 P52 E53 K55	D46-I48 VanDerWaalsContact OD1-CB 3.3Å; D46-I48 WeakPolarHBondContact OD1-CB 3.46Å; D46-I48 PolarHBondContact OD1-N 2.98Å; D46-P52 VanDerWaalsContact O-CA 3.28Å; D46-P52 WeakPolarHBondContact O-CA 3.34Å; D46-E53 PolarHBondContact N-O 2.88Å; D46-E53 PolarHBondContact O-N 3.29Å; D46-K55 HydrophobicContact CB-CD 3.91Å; D46-K55 HydrophobicContact CB-CG 4.22Å; D46-K55 WeakPolarHBondContact OD2-CD 2.96Å; D46-K55 VanDerWaalsContact OD2-CE 3.26Å; D46-K55 WeakPolarHBondContact OD2-CE 2.98Å; D46-K55 IonicContact OD2-NZ 3.84Å; D46-K55 PolarHBondContact OD2-NZ 2.63Å
47	T	94.9	Very high	96.5	Very high	104 Å²	104	69.2 Å²	69.2	64%	0.638	34%	0.339	S	S	*	.	S	Bend	trans	-96.4	-1.2	179.4	61.6	0	0	0	0	113.1	F45	F45-T47 HydrophobicContact CD1-CG2 3.74Å; F45-T47 HydrophobicContact CE1-CG2 3.87Å
48	I	93.6	Very high	96.5	Very high	148 Å²	148	63.6 Å²	63.6	76%	0.759	32%	0.317	S	S	*	.	S	Bend	trans	-77.5	-33.6	179.8	-59.9	174.6	0	0	0	110.4	D46	D46-I48 VanDerWaalsContact OD1-CB 3.3Å; D46-I48 WeakPolarHBondContact OD1-CB 3.46Å; D46-I48 PolarHBondContact OD1-N 2.98Å
49	E	92.1	Very high	96.5	Very high	87 Å²	87	63.8 Å²	63.8	41%	0.407	32%	0.321	S	S	.	.	S	Bend	trans	-74	153	177.3	-53.4	-61.4	165.5	0	0	111.8	P51 P52 E53 K55	E49-P51 CarbonylContact C-O 3.57Å; E49-P51 CarbonylContact O-C 3.5Å; E49-P52 VanDerWaalsContact O-N 3.13Å; E49-E53 HydrophobicContact CB-CG 4.25Å; E49-E53 HydrophobicContact CG-CG 4.15Å; E49-K55 IonicContact OE1-NZ 3.94Å; E49-K55 PolarHBondContact OE1-NZ 3.1Å
50	D	92.2	Very high	96.5	Very high	162 Å²	162	57.4 Å²	57.4	87%	0.866	30%	0.297	S	S	*	.	S	Bend	trans	-120.7	105.9	172.8	-173.8	24.5	0	0	0	110.1
51	P	94	Very high	96.5	Very high	92 Å²	92	59.6 Å²	59.6	60%	0.597	31%	0.31	S	S	*	.	S	Bend	cis	-78.6	157.6	4.3	33.3	-35.9	0	0	0	113.1	E49 E53	E49-P51 CarbonylContact C-O 3.57Å; E49-P51 CarbonylContact O-C 3.5Å; P51-E53 PolarHBondContact O-N 2.92Å
52	P	95.1	Very high	96.5	Very high	54 Å²	54	58 Å²	58	35%	0.351	30%	0.302	S	S	.	.			trans	-53.9	137.8	170.5	-29.7	37.3	0	0	0	112.4	F45 D46 E49	F45-P52 HydrophobicContact CE1-CB 3.69Å; F45-P52 HydrophobicContact CE2-CB 4.16Å; F45-P52 HydrophobicContact CZ-CB 3.4Å; F45-P52 VanDerWaalsContact CZ-CB 3.4Å; D46-P52 VanDerWaalsContact O-CA 3.28Å; D46-P52 WeakPolarHBondContact O-CA 3.34Å; E49-P52 VanDerWaalsContact O-N 3.13Å
53	E	96.3	Very high	96.5	Very high	88 Å²	88	60.3 Å²	60.3	41%	0.411	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.9	-171.6	65	168	-161.8	0	0	113.7	D46 E49 P51 K55	D46-E53 PolarHBondContact N-O 2.88Å; D46-E53 PolarHBondContact O-N 3.29Å; E49-E53 HydrophobicContact CB-CG 4.25Å; E49-E53 HydrophobicContact CG-CG 4.15Å; P51-E53 PolarHBondContact O-N 2.92Å; E53-K55 HydrophobicContact CG-CG 4.29Å; E53-K55 WeakPolarHBondContact OE1-CE 3.19Å; E53-K55 IonicContact OE1-NZ 3.8Å
54	W	96.2	Very high	96.5	Very high	54 Å²	54	60 Å²	60	21%	0.205	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.5	172.3	-72.8	101	0	0	0	110.3	F43 F45 V108 L124 I201	F43-W54 HydrophobicContact CB-CE3 3.69Å; F43-W54 HydrophobicContact CB-CZ3 4.24Å; F45-W54 HydrophobicContact CB-CD2 4.35Å; F45-W54 HydrophobicContact CB-CE3 3.99Å; F45-W54 HydrophobicContact CB-CH2 3.98Å; F45-W54 HydrophobicContact CB-CZ2 4.31Å; F45-W54 HydrophobicContact CB-CZ3 3.8Å; F45-W54 AromaticContact CD2-CD2 3.81Å; F45-W54 HydrophobicContact CD2-CD2 3.81Å; F45-W54 AromaticContact CD2-CE2 3.64Å; F45-W54 HydrophobicContact CD2-CE3 4.31Å; F45-W54 HydrophobicContact CD2-CG 4.11Å; F45-W54 HydrophobicContact CD2-CZ2 4.03Å; F45-W54 AromaticContact CD2-NE1 3.78Å; F45-W54 HydrophobicContact CG-CZ2 4.46Å; W54-V108 HydrophobicContact CH2-CG1 3.83Å; W54-V108 HydrophobicContact CH2-CG2 3.89Å; W54-V108 HydrophobicContact CZ2-CG1 4.22Å; W54-V108 HydrophobicContact CZ2-CG2 3.93Å; W54-L124 HydrophobicContact CH2-CD2 4.37Å; W54-L124 HydrophobicContact CH2-CG 4.1Å; W54-I201 HydrophobicContact CB-CG1 4.49Å; W54-I201 HydrophobicContact CG-CG1 4.24Å
55	K	97.1	Very high	96.6	Very high	54 Å²	54	57.6 Å²	57.6	24%	0.235	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143.7	173.1	-65.7	-176.5	-179.9	169.7	0	110.6	F43 R44 D46 E49 E53 R57	F43-K55 CarbonylContact C-O 3.53Å; F43-K55 VanDerWaalsContact CA-O 3.32Å; F43-K55 WeakPolarHBondContact CA-O 3.38Å; R44-K55 PolarHBondContact N-O 2.95Å; R44-K55 PolarHBondContact O-N 3.15Å; D46-K55 HydrophobicContact CB-CD 3.91Å; D46-K55 HydrophobicContact CB-CG 4.22Å; D46-K55 WeakPolarHBondContact OD2-CD 2.96Å; D46-K55 VanDerWaalsContact OD2-CE 3.26Å; D46-K55 WeakPolarHBondContact OD2-CE 2.98Å; D46-K55 IonicContact OD2-NZ 3.84Å; D46-K55 PolarHBondContact OD2-NZ 2.63Å; E49-K55 IonicContact OE1-NZ 3.94Å; E49-K55 PolarHBondContact OE1-NZ 3.1Å; E53-K55 HydrophobicContact CG-CG 4.29Å; E53-K55 WeakPolarHBondContact OE1-CE 3.19Å; E53-K55 IonicContact OE1-NZ 3.8Å; K55-R57 PolarHBondContact O-N 2.81Å
56	E	97.7	Very high	96.6	Very high	133 Å²	133	59.7 Å²	59.7	62%	0.621	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	129.9	172.7	-64.6	-164.9	170.7	0	0	110.6	Q41 F43	Q41-E56 VanDerWaalsContact NE2-CD 3.25Å; Q41-E56 PolarHBondContact NE2-OE1 3.46Å; F43-E56 HydrophobicContact CD1-CG 4.24Å; F43-E56 HydrophobicContact CE1-CG 3.94Å
57	R	97.8	Very high	96.6	Very high	7 Å²	7	60.2 Å²	60.2	3%	0.026	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-39.8	177	-174	61	177.3	-106.6	16.2	111.6	L42 R44 K55 R79 C86 D117 E123	L42-R57 HydrophobicContact CB-CB 4.35Å; L42-R57 HydrophobicContact CD2-CB 4.05Å; L42-R57 HydrophobicContact CD2-CG 3.8Å; L42-R57 HydrophobicContact CG-CB 4.1Å; L42-R57 HydrophobicContact CG-CG 4.39Å; L42-R57 WeakPolarHBondContact O-CA 3.45Å; L42-R57 WeakPolarHBondContact O-CB 3.28Å; L42-R57 PolarHBondContact O-N 2.94Å; R44-R57 HydrophobicContact CB-CB 4.34Å; R44-R57 VanDerWaalsContact NH2-CZ 3.33Å; K55-R57 PolarHBondContact O-N 2.81Å; R57-R79 VanDerWaalsContact O-CZ 3.25Å; R57-R79 PolarHBondContact O-NE 3.45Å; R57-R79 PolarHBondContact O-NH2 3.34Å; R57-C86 HydrophobicContact CG-CB 4.19Å; R57-C86 VanDerWaalsContact CG-O 3.31Å; R57-C86 WeakPolarHBondContact CG-O 3.39Å; R57-D117 VanDerWaalsContact NH2-CG 3.27Å; R57-D117 IonicContact NH2-OD1 3.34Å; R57-D117 PolarHBondContact NH2-OD1 2.91Å; R57-D117 IonicContact NH2-OD2 3.75Å; R57-D117 PolarHBondContact NH2-OD2 3.06Å; R57-E123 IonicContact CZ-OE1 3.46Å; R57-E123 IonicContact NH1-OE1 3.24Å; R57-E123 PolarHBondContact NH1-OE1 2.87Å; R57-E123 IonicContact NH2-OE1 2.82Å
58	G	98.2	Very high	96.6	Very high	7 Å²	7	63 Å²	63	7%	0.072	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	155.7	178.8	0	0	0	0	0	113.9	L42	L42-G58 PolarHBondContact N-O 2.89Å; L42-G58 PolarHBondContact O-N 3.38Å
59	V	98.6	Very high	96.6	Very high	48 Å²	48	61.1 Å²	61.1	29%	0.291	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.3	170.7	178.8	0	0	0	0	108	Q41 R79 D80	Q41-V59 HydrophobicContact CB-CG2 4.25Å; Q41-V59 HydrophobicContact CG-CG2 3.84Å; V59-R79 CarbonylContact O-C 3.58Å; V59-R79 WeakPolarHBondContact O-CA 3.31Å; V59-D80 PolarHBondContact O-N 3.01Å
60	G	98.6	Very high	96.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-159.3	179.8	0	0	0	0	0	113	R39 A40 R78 D80	R39-G60 CarbonylContact C-O 3.54Å; R39-G60 WeakPolarHBondContact CA-O 3.45Å; A40-G60 PolarHBondContact N-O 3.27Å; A40-G60 PolarHBondContact O-N 3.5Å; A40-G60 VanDerWaalsContact O-N 3.13Å; G60-R78 WeakPolarHBondContact CA-O 3.47Å; G60-D80 WeakPolarHBondContact CA-OD1 3.4Å
61	V	98.5	Very high	96.7	Very high	51 Å²	51	52 Å²	52	31%	0.309	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.9	179.2	179.5	0	0	0	0	109.5	K37 K63	K37-V61 HydrophobicContact CD-CG1 4.33Å; K37-V61 HydrophobicContact CG-CG1 3.44Å; K37-V61 VanDerWaalsContact CG-CG1 3.44Å; V61-K63 HydrophobicContact CG1-CG 4.26Å
62	L	98.7	Very high	96.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.8	170.3	-172.5	152.5	0	0	0	109	F36 K37 Q38 A40 I64 L75 M77 V127 F138	F36-L62 HydrophobicContact CD1-CD2 3.95Å; F36-L62 HydrophobicContact CE1-CD2 3.9Å; K37-L62 WeakPolarHBondContact CA-O 3.49Å; Q38-L62 PolarHBondContact N-O 3.26Å; Q38-L62 VanDerWaalsContact N-O 3.12Å; Q38-L62 PolarHBondContact O-N 3.1Å; A40-L62 HydrophobicContact CB-CB 4.2Å; L62-I64 HydrophobicContact CD2-CG1 4.49Å; L62-L75 HydrophobicContact CD1-CD1 4.23Å; L62-L75 HydrophobicContact CD1-CD2 4.07Å; L62-L75 HydrophobicContact CD1-CG 4.34Å; L62-L75 HydrophobicContact CD2-CD1 4.25Å; L62-L75 HydrophobicContact CD2-CG 4.13Å; L62-L75 HydrophobicContact CG-CD2 4.16Å; L62-L75 HydrophobicContact CG-CG 4.25Å; L62-M77 HydrophobicContact CB-CB 4.35Å; L62-M77 HydrophobicContact CB-CG 4.06Å; L62-M77 HydrophobicContact CB-SD 4.03Å; L62-M77 HydrophobicContact CD1-SD 4.09Å; L62-M77 HydrophobicContact CG-CB 4.38Å; L62-M77 HydrophobicContact CG-SD 4.42Å; L62-V127 HydrophobicContact CD1-CG2 4.02Å; L62-F138 HydrophobicContact CD2-CD2 3.96Å; L62-F138 HydrophobicContact CD2-CE2 3.72Å
63	K	98.6	Very high	96.8	Very high	49 Å²	49	47.8 Å²	47.8	21%	0.213	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.7	176.5	-54.7	-177.7	-168.9	173.6	0	110.9	E29 F36 K37 V61 L65 L75 L76	E29-K63 IonicContact OE2-NZ 2.74Å; E29-K63 PolarHBondContact OE2-NZ 2.99Å; F36-K63 WeakPolarHBondContact O-CA 3.45Å; K37-K63 HydrophobicContact CG-CG 4.35Å; V61-K63 HydrophobicContact CG1-CG 4.26Å; K63-L65 HydrophobicContact CB-CD2 3.89Å; K63-L65 HydrophobicContact CB-CG 4.02Å; K63-L65 HydrophobicContact CD-CD2 4Å; K63-L75 WeakPolarHBondContact O-CA 3.1Å; K63-L76 PolarHBondContact N-O 3.45Å; K63-L76 PolarHBondContact O-N 3.16Å
64	I	98.6	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.5	157.8	-60.9	173.9	0	0	0	106.7	L35 F36 L62 Y73 R74 L91 F138 V141 F142	L35-I64 PolarHBondContact N-O 3.14Å; F36-I64 HydrophobicContact CB-CB 4Å; F36-I64 HydrophobicContact CB-CD1 4.26Å; F36-I64 HydrophobicContact CB-CG1 4.19Å; F36-I64 HydrophobicContact CD1-CG1 4.44Å; F36-I64 PolarHBondContact N-O 2.9Å; F36-I64 PolarHBondContact O-N 3.42Å; F36-I64 VanDerWaalsContact O-N 3.1Å; L62-I64 HydrophobicContact CD2-CG1 4.49Å; I64-Y73 HydrophobicContact CG2-CD1 4.04Å; I64-R74 WeakPolarHBondContact CA-O 3.43Å; I64-L91 HydrophobicContact CD1-CD1 4.49Å; I64-L91 HydrophobicContact CG2-CD1 3.96Å; I64-F138 HydrophobicContact CD1-CD2 3.9Å; I64-F138 HydrophobicContact CD1-CE2 3.91Å; I64-F138 HydrophobicContact CG1-CE2 4.41Å; I64-V141 HydrophobicContact CB-CG1 4.08Å; I64-V141 HydrophobicContact CD1-CB 4.08Å; I64-V141 HydrophobicContact CD1-CG1 3.84Å; I64-V141 HydrophobicContact CG2-CG1 4.01Å; I64-F142 HydrophobicContact CD1-CB 4.05Å
65	L	98.4	Very high	97	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.9	-174.7	-58.2	179.8	0	0	0	109.3	E29 E32 E33 C34 K63 Y73 R74 L76	E29-L65 HydrophobicContact CB-CD1 4.42Å; E29-L65 HydrophobicContact CG-CD1 4.03Å; E32-L65 HydrophobicContact CB-CB 4.13Å; E32-L65 WeakPolarHBondContact OE2-CD1 3.23Å; E33-L65 CarbonylContact O-C 3.56Å; E33-L65 VanDerWaalsContact O-CA 3.31Å; E33-L65 WeakPolarHBondContact O-CA 3.35Å; C34-L65 HydrophobicContact CB-CD2 3.77Å; K63-L65 HydrophobicContact CB-CD2 3.89Å; K63-L65 HydrophobicContact CB-CG 4.02Å; K63-L65 HydrophobicContact CD-CD2 4Å; L65-Y73 CarbonylContact O-C 3.58Å; L65-Y73 VanDerWaalsContact O-CA 3.28Å; L65-Y73 WeakPolarHBondContact O-CA 3.26Å; L65-R74 HydrophobicContact CB-CG 4.08Å; L65-R74 PolarHBondContact N-O 2.79Å; L65-R74 PolarHBondContact O-N 3.01Å; L65-L76 HydrophobicContact CD1-CB 4.1Å; L65-L76 HydrophobicContact CD1-CD2 3.82Å
66	R	97.6	Very high	97.1	Very high	87 Å²	87	40.1 Å²	40.1	33%	0.328	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.9	172.9	179.2	-171.7	-177.8	-165.2	4	109.7	E32 E33 L35 R68 C72 Y73	E32-R66 CarbonylContact C-O 3.6Å; E32-R66 VanDerWaalsContact CA-O 3.26Å; E32-R66 WeakPolarHBondContact CA-O 3.32Å; E33-R66 PolarHBondContact N-O 2.81Å; E33-R66 PolarHBondContact O-N 3.43Å; L35-R66 HydrophobicContact CD1-CB 3.7Å; L35-R66 HydrophobicContact CG-CB 4.29Å; R66-R68 PolarHBondContact O-N 3.32Å; R66-C72 WeakPolarHBondContact CA-O 3.45Å; R66-Y73 HydrophobicContact CB-CD1 4.42Å; R66-Y73 HydrophobicContact CB-CD2 4.41Å; R66-Y73 HydrophobicContact CB-CE1 4.38Å; R66-Y73 HydrophobicContact CB-CE2 4.29Å; R66-Y73 HydrophobicContact CB-CG 4.44Å; R66-Y73 HydrophobicContact CG-CD2 4.05Å; R66-Y73 HydrophobicContact CG-CE2 3.72Å
67	N	96.6	Very high	97.1	Very high	34 Å²	34	33.9 Å²	33.9	18%	0.182	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.2	174.7	-172.9	-83.5	0	0	0	110.8	T69 S70 G71 C72	N67-T69 VanDerWaalsContact C-N 3.29Å; N67-T69 PolarHBondContact O-N 3.28Å; N67-T69 WeakPolarHBondContact OD1-CA 3.46Å; N67-T69 WeakPolarHBondContact OD1-CB 3.5Å; N67-T69 PolarHBondContact OD1-N 2.56Å; N67-S70 WeakPolarHBondContact CB-OG 3.28Å; N67-S70 PolarHBondContact OD1-N 3.3Å; N67-S70 PolarHBondContact OD1-OG 2.91Å; N67-G71 WeakPolarHBondContact O-CA 3.4Å; N67-G71 PolarHBondContact O-N 3.49Å; N67-C72 PolarHBondContact N-O 3.07Å
68	R	95	Very high	97.1	Very high	162 Å²	162	37 Å²	37	61%	0.611	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-30.1	-175.8	-64.9	174.4	-178.4	-86.5	-3.3	112.8	N31 R66	N31-R68 WeakPolarHBondContact O-CG 3.49Å; N31-R68 PolarHBondContact O-N 3.36Å; R66-R68 PolarHBondContact O-N 3.32Å
69	T	93.4	Very high	97.1	Very high	109 Å²	109	39.7 Å²	39.7	67%	0.669	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-58.8	-177.4	-49.5	0	0	0	0	111.4	N31 N67	N31-T69 PolarHBondContact ND2-OG1 2.9Å; N67-T69 VanDerWaalsContact C-N 3.29Å; N67-T69 PolarHBondContact O-N 3.28Å; N67-T69 WeakPolarHBondContact OD1-CA 3.46Å; N67-T69 WeakPolarHBondContact OD1-CB 3.5Å; N67-T69 PolarHBondContact OD1-N 2.56Å
70	S	92.4	Very high	97.1	Very high	52 Å²	52	40.4 Å²	40.4	36%	0.364	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-26.1	-178.4	68.5	0	0	0	0	112.2	N67 C72 K152	N67-S70 WeakPolarHBondContact CB-OG 3.28Å; N67-S70 PolarHBondContact OD1-N 3.3Å; N67-S70 PolarHBondContact OD1-OG 2.91Å; S70-C72 PolarHBondContact O-N 2.85Å; S70-C72 WeakPolarHBondContact OG-CB 3.44Å; S70-C72 PolarHBondContact OG-N 2.95Å; S70-C72 PolarHBondContact OG-SG 2.85Å; S70-C72 VanDerWaalsContact OG-SG 3.33Å; S70-K152 WeakPolarHBondContact O-CD 3.25Å; S70-K152 PolarHBondContact O-NZ 2.85Å
71	G	93.6	Very high	97	Very high	5 Å²	5	51.5 Å²	51.5	5%	0.052	24%	0.238	C	C	.	.			trans	73.5	2.1	-170.1	0	0	0	0	0	114.3	N67 Y73	N67-G71 WeakPolarHBondContact O-CA 3.4Å; N67-G71 PolarHBondContact O-N 3.49Å; G71-Y73 VanDerWaalsContact O-CD2 3.25Å; G71-Y73 WeakPolarHBondContact O-CD2 3.46Å; G71-Y73 WeakPolarHBondContact O-CE2 3.13Å
72	C	94.2	Very high	96.8	Very high	50 Å²	50	53 Å²	53	34%	0.338	25%	0.248	S	C	.	.			trans	-67.7	143	178.6	-59.1	0	0	0	0	110.9	R66 N67 S70 Y90	R66-C72 WeakPolarHBondContact CA-O 3.45Å; N67-C72 PolarHBondContact N-O 3.07Å; S70-C72 PolarHBondContact O-N 2.85Å; S70-C72 WeakPolarHBondContact OG-CB 3.44Å; S70-C72 PolarHBondContact OG-N 2.95Å; S70-C72 PolarHBondContact OG-SG 2.85Å; S70-C72 VanDerWaalsContact OG-SG 3.33Å; C72-Y90 HydrophobicContact CB-CD1 4.11Å; C72-Y90 HydrophobicContact CB-CE1 4.07Å
73	Y	97.7	Very high	96.6	Very high	8 Å²	8	61.1 Å²	61.1	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.1	177.7	-72.4	-121.7	0	0	0	109.7	L35 I64 L65 R66 G71 Y90 L91 A148	L35-Y73 HydrophobicContact CD1-CD1 3.78Å; L35-Y73 HydrophobicContact CD1-CE1 3.12Å; I64-Y73 HydrophobicContact CG2-CD1 4.04Å; L65-Y73 CarbonylContact O-C 3.58Å; L65-Y73 VanDerWaalsContact O-CA 3.28Å; L65-Y73 WeakPolarHBondContact O-CA 3.26Å; R66-Y73 HydrophobicContact CB-CD1 4.42Å; R66-Y73 HydrophobicContact CB-CD2 4.41Å; R66-Y73 HydrophobicContact CB-CE1 4.38Å; R66-Y73 HydrophobicContact CB-CE2 4.29Å; R66-Y73 HydrophobicContact CB-CG 4.44Å; R66-Y73 HydrophobicContact CG-CD2 4.05Å; R66-Y73 HydrophobicContact CG-CE2 3.72Å; G71-Y73 VanDerWaalsContact O-CD2 3.25Å; G71-Y73 WeakPolarHBondContact O-CD2 3.46Å; G71-Y73 WeakPolarHBondContact O-CE2 3.13Å; Y73-Y90 CarbonylContact O-C 3.59Å; Y73-Y90 WeakPolarHBondContact O-CA 3.3Å; Y73-Y90 WeakPolarHBondContact O-CD1 3.05Å; Y73-L91 PolarHBondContact O-N 2.97Å; Y73-A148 HydrophobicContact CD2-CB 4.37Å; Y73-A148 HydrophobicContact CE2-CB 3.74Å
74	R	97.9	Very high	96.6	Very high	31 Å²	31	65.6 Å²	65.6	12%	0.117	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.3	170.8	69.9	172.8	-179.8	173	-4.4	112.1	S28 E32 I64 L65 H89 Y90	S28-R74 PolarHBondContact O-NH2 2.89Å; E32-R74 VanDerWaalsContact CD-NE 3.26Å; E32-R74 VanDerWaalsContact CD-NH2 3.3Å; E32-R74 WeakPolarHBondContact OE1-CD 3.35Å; E32-R74 IonicContact OE1-CZ 3.34Å; E32-R74 IonicContact OE1-NE 2.81Å; E32-R74 PolarHBondContact OE1-NE 3.02Å; E32-R74 IonicContact OE1-NH2 3.46Å; E32-R74 PolarHBondContact OE1-NH2 3.01Å; E32-R74 IonicContact OE2-CZ 3.17Å; E32-R74 IonicContact OE2-NE 2.94Å; E32-R74 PolarHBondContact OE2-NE 2.86Å; E32-R74 IonicContact OE2-NH2 2.63Å; E32-R74 PolarHBondContact OE2-NH2 3.49Å; I64-R74 WeakPolarHBondContact CA-O 3.43Å; L65-R74 HydrophobicContact CB-CG 4.08Å; L65-R74 PolarHBondContact N-O 2.79Å; L65-R74 PolarHBondContact O-N 3.01Å; R74-H89 CarbonylContact C-O 3.6Å; R74-H89 VanDerWaalsContact CA-O 3.27Å; R74-H89 WeakPolarHBondContact CA-O 3.47Å; R74-H89 WeakPolarHBondContact CB-O 3.49Å; R74-Y90 HydrophobicContact CB-CD1 3.99Å; R74-Y90 HydrophobicContact CB-CE1 4.3Å
75	L	98.4	Very high	96.5	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127	168.3	-170.7	153	0	0	0	108.5	L62 K63 A87 N88 H89 L91 W109 F138 F142	L62-L75 HydrophobicContact CD1-CD1 4.23Å; L62-L75 HydrophobicContact CD1-CD2 4.07Å; L62-L75 HydrophobicContact CD1-CG 4.34Å; L62-L75 HydrophobicContact CD2-CD1 4.25Å; L62-L75 HydrophobicContact CD2-CG 4.13Å; L62-L75 HydrophobicContact CG-CD2 4.16Å; L62-L75 HydrophobicContact CG-CG 4.25Å; K63-L75 WeakPolarHBondContact O-CA 3.1Å; L75-A87 HydrophobicContact CD2-CB 3.56Å; L75-N88 VanDerWaalsContact O-CA 3.27Å; L75-N88 WeakPolarHBondContact O-CA 3.31Å; L75-H89 PolarHBondContact N-O 3.41Å; L75-H89 PolarHBondContact O-N 3.38Å; L75-L91 HydrophobicContact CB-CD2 4.18Å; L75-W109 HydrophobicContact CD1-CH2 4.16Å; L75-W109 HydrophobicContact CD1-CZ2 3.58Å; L75-W109 HydrophobicContact CD2-CZ2 4.45Å; L75-F138 HydrophobicContact CD1-CE2 4.01Å; L75-F138 HydrophobicContact CD1-CZ 4.15Å; L75-F142 HydrophobicContact CD1-CD2 4.44Å; L75-F142 HydrophobicContact CD1-CE2 4.28Å
76	L	98.5	Very high	96.5	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.3	177.6	-177.1	67.5	0	0	0	110.1	E29 K63 L65 V85 A87 N88	E29-L76 HydrophobicContact CG-CD2 3.71Å; E29-L76 WeakPolarHBondContact OE1-CD2 3.47Å; K63-L76 PolarHBondContact N-O 3.45Å; K63-L76 PolarHBondContact O-N 3.16Å; L65-L76 HydrophobicContact CD1-CB 4.1Å; L65-L76 HydrophobicContact CD1-CD2 3.82Å; L76-V85 HydrophobicContact CD1-CG1 3.99Å; L76-V85 HydrophobicContact CD1-CG2 4.49Å; L76-A87 WeakPolarHBondContact CA-O 3.18Å; L76-N88 HydrophobicContact CD1-CB 4.01Å
77	M	98.6	Very high	96.6	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	137.1	175.4	-168.9	179.6	172.8	0	0	110.6	A40 L42 L62 V85 C86 A87	A40-M77 HydrophobicContact CB-CE 4.29Å; A40-M77 WeakPolarHBondContact O-CE 3.45Å; L42-M77 HydrophobicContact CB-CE 4.05Å; L42-M77 HydrophobicContact CB-SD 3.64Å; L42-M77 HydrophobicContact CD2-SD 4.09Å; L42-M77 HydrophobicContact CG-SD 4.32Å; L62-M77 HydrophobicContact CB-CB 4.35Å; L62-M77 HydrophobicContact CB-CG 4.06Å; L62-M77 HydrophobicContact CB-SD 4.03Å; L62-M77 HydrophobicContact CD1-SD 4.09Å; L62-M77 HydrophobicContact CG-CB 4.38Å; L62-M77 HydrophobicContact CG-SD 4.42Å; M77-V85 WeakPolarHBondContact O-CA 3.39Å; M77-C86 VanDerWaalsContact CG-SG 3.5Å; M77-C86 PolarHBondContact O-N 3.19Å; M77-C86 PolarHBondContact O-SG 2.65Å; M77-A87 HydrophobicContact CB-CB 4.15Å; M77-A87 PolarHBondContact N-O 3.49Å; M77-A87 PolarHBondContact O-N 2.86Å
78	R	98	Very high	96.6	Very high	74 Å²	74	62.5 Å²	62.5	28%	0.279	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.2	176.2	-63.2	177.4	-171.9	-88.5	3	110	S27 E29 G60 K84 V85	S27-R78 PolarHBondContact O-NH2 2.82Å; E29-R78 IonicContact OE1-CZ 2.97Å; E29-R78 IonicContact OE1-NE 2.86Å; E29-R78 PolarHBondContact OE1-NE 3.18Å; E29-R78 IonicContact OE1-NH2 3.01Å; E29-R78 PolarHBondContact OE1-NH2 3.25Å; G60-R78 WeakPolarHBondContact CA-O 3.47Å; R78-K84 WeakPolarHBondContact CA-O 3.27Å; R78-V85 HydrophobicContact CG-CG2 4.33Å
79	R	98.3	Very high	96.8	Very high	62 Å²	62	55 Å²	55	23%	0.234	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	144.9	176.9	-62.7	-177.1	-173.7	84.3	-3.7	111.4	R57 V59 T82 Y83 K84 V85 C86	R57-R79 VanDerWaalsContact O-CZ 3.25Å; R57-R79 PolarHBondContact O-NE 3.45Å; R57-R79 PolarHBondContact O-NH2 3.34Å; V59-R79 CarbonylContact O-C 3.58Å; V59-R79 WeakPolarHBondContact O-CA 3.31Å; R79-T82 WeakPolarHBondContact CB-OG1 3.29Å; R79-Y83 WeakPolarHBondContact O-CA 3.43Å; R79-Y83 PolarHBondContact O-N 3.04Å; R79-K84 PolarHBondContact N-O 3.36Å; R79-V85 PolarHBondContact NH1-O 2.96Å; R79-C86 HydrophobicContact CG-CB 3.95Å
80	D	97.7	Very high	97	Very high	64 Å²	64	56.3 Å²	56.3	34%	0.342	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	149.7	169.3	-67.4	-24.6	0	0	0	111.3	R39 V59 G60 T82	R39-D80 IonicContact CZ-OD2 3.19Å; R39-D80 VanDerWaalsContact NH1-CG 3.34Å; R39-D80 IonicContact NH1-OD1 3.21Å; R39-D80 PolarHBondContact NH1-OD1 3.31Å; R39-D80 IonicContact NH1-OD2 2.69Å; R39-D80 PolarHBondContact NH1-OD2 2.87Å; R39-D80 IonicContact NH2-OD2 2.65Å; R39-D80 PolarHBondContact NH2-OD2 3.06Å; V59-D80 PolarHBondContact O-N 3.01Å; G60-D80 WeakPolarHBondContact CA-OD1 3.4Å; D80-T82 PolarHBondContact O-N 3.01Å
81	R	95.5	Very high	97.3	Very high	232 Å²	232	54 Å²	54	88%	0.875	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	-46.3	177.3	-53	-178.9	179.9	-178.5	-0.8	115.6	Y83	R81-Y83 VanDerWaalsContact O-CD2 3.29Å; R81-Y83 WeakPolarHBondContact O-CD2 3.27Å; R81-Y83 WeakPolarHBondContact O-CE2 3.36Å
82	T	95.8	Very high	97.3	Very high	84 Å²	84	56.5 Å²	56.5	52%	0.515	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-20.9	-178.5	63.8	0	0	0	0	113.2	R79 D80 K84	R79-T82 WeakPolarHBondContact CB-OG1 3.29Å; D80-T82 PolarHBondContact O-N 3.01Å; T82-K84 PolarHBondContact O-N 2.81Å
83	Y	94.5	Very high	97.3	Very high	170 Å²	170	60.3 Å²	60.3	67%	0.667	26%	0.262	S	S	*	.			trans	56.6	9.5	-177.2	-56.8	-82.4	0	0	0	115.3	R79 R81	R79-Y83 WeakPolarHBondContact O-CA 3.43Å; R79-Y83 PolarHBondContact O-N 3.04Å; R81-Y83 VanDerWaalsContact O-CD2 3.29Å; R81-Y83 WeakPolarHBondContact O-CD2 3.27Å; R81-Y83 WeakPolarHBondContact O-CE2 3.36Å
84	K	97.1	Very high	97	Very high	142 Å²	142	65.5 Å²	65.5	62%	0.617	29%	0.29	S	S	*	.			trans	-64.6	136.2	175.1	-70	-173	177.4	-174.7	0	110.2	R78 R79 T82	R78-K84 WeakPolarHBondContact CA-O 3.27Å; R79-K84 PolarHBondContact N-O 3.36Å; T82-K84 PolarHBondContact O-N 2.81Å
85	V	97.7	Very high	96.9	Very high	30 Å²	30	64.9 Å²	64.9	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.6	173.9	-176.2	0	0	0	0	109.4	L76 M77 R78 R79 A87 N88 A116	L76-V85 HydrophobicContact CD1-CG1 3.99Å; L76-V85 HydrophobicContact CD1-CG2 4.49Å; M77-V85 WeakPolarHBondContact O-CA 3.39Å; R78-V85 HydrophobicContact CG-CG2 4.33Å; R79-V85 PolarHBondContact NH1-O 2.96Å; V85-A87 WeakPolarHBondContact CG1-O 3.47Å; V85-N88 HydrophobicContact CG1-CB 3.75Å; V85-A116 HydrophobicContact CG1-CB 4.05Å
86	C	98.2	Very high	96.7	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	-10.8	177.7	65.1	0	0	0	0	113.8	L42 R57 M77 R79 A116	L42-C86 WeakPolarHBondContact CD2-O 3.47Å; R57-C86 HydrophobicContact CG-CB 4.19Å; R57-C86 VanDerWaalsContact CG-O 3.31Å; R57-C86 WeakPolarHBondContact CG-O 3.39Å; M77-C86 VanDerWaalsContact CG-SG 3.5Å; M77-C86 PolarHBondContact O-N 3.19Å; M77-C86 PolarHBondContact O-SG 2.65Å; R79-C86 HydrophobicContact CG-CB 3.95Å; C86-A116 VanDerWaalsContact C-CB 3.48Å
87	A	98.6	Very high	96.7	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	138.7	162	0	0	0	0	0	109	L42 L75 L76 M77 V85 D114	L42-A87 HydrophobicContact CD2-CB 3.71Å; L75-A87 HydrophobicContact CD2-CB 3.56Å; L76-A87 WeakPolarHBondContact CA-O 3.18Å; M77-A87 HydrophobicContact CB-CB 4.15Å; M77-A87 PolarHBondContact N-O 3.49Å; M77-A87 PolarHBondContact O-N 2.86Å; V85-A87 WeakPolarHBondContact CG1-O 3.47Å; A87-D114 WeakPolarHBondContact CA-OD1 3.28Å
88	N	98.4	Very high	96.5	Very high	31 Å²	31	77.8 Å²	77.8	17%	0.166	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	96.5	174.9	-179.7	20.8	0	0	0	109.6	L75 L76 V85 D114 F115	L75-N88 VanDerWaalsContact O-CA 3.27Å; L75-N88 WeakPolarHBondContact O-CA 3.31Å; L76-N88 HydrophobicContact CD1-CB 4.01Å; V85-N88 HydrophobicContact CG1-CB 3.75Å; N88-D114 PolarHBondContact N-OD1 3.1Å; N88-F115 WeakPolarHBondContact O-CB 3.37Å; N88-F115 PolarHBondContact O-N 2.74Å
89	H	98.3	Very high	96.2	Very high	5 Å²	5	78.7 Å²	78.7	2%	0.023	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.2	176.9	50.2	-89.1	0	0	0	111.4	R74 L75 W109 T111 A113 D114	R74-H89 CarbonylContact C-O 3.6Å; R74-H89 VanDerWaalsContact CA-O 3.27Å; R74-H89 WeakPolarHBondContact CA-O 3.47Å; R74-H89 WeakPolarHBondContact CB-O 3.49Å; L75-H89 PolarHBondContact N-O 3.41Å; L75-H89 PolarHBondContact O-N 3.38Å; H89-W109 AromaticContact CE1-CZ2 3.98Å; H89-W109 AromaticContact CE1-NE1 3.56Å; H89-W109 AromaticContact NE2-CE2 3.82Å; H89-W109 AromaticContact NE2-NE1 3.01Å; H89-W109 PolarHBondContact NE2-NE1 2.75Å; H89-T111 WeakPolarHBondContact CB-OG1 3.22Å; H89-A113 WeakPolarHBondContact CB-O 3.29Å; H89-D114 IonicContact CE1-OD1 3.85Å; H89-D114 IonicContact CG-OD1 2.69Å; H89-D114 IonicContact ND1-OD1 3.72Å; H89-D114 PolarHBondContact ND1-OD1 3.38Å
90	Y	97.6	Very high	95.3	Very high	137 Å²	137	76.7 Å²	76.7	54%	0.537	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	146.6	170.7	-68	-71.5	0	0	0	111.3	C72 Y73 R74 M95	C72-Y90 HydrophobicContact CB-CD1 4.11Å; C72-Y90 HydrophobicContact CB-CE1 4.07Å; Y73-Y90 CarbonylContact O-C 3.59Å; Y73-Y90 WeakPolarHBondContact O-CA 3.3Å; Y73-Y90 WeakPolarHBondContact O-CD1 3.05Å; R74-Y90 HydrophobicContact CB-CD1 3.99Å; R74-Y90 HydrophobicContact CB-CE1 4.3Å; Y90-M95 VanDerWaalsContact O-CE 3.31Å; Y90-M95 WeakPolarHBondContact O-CE 3.43Å
91	L	97.7	Very high	94	Very high	2 Å²	2	79.6 Å²	79.6	1%	0.01	37%	0.372	C	S	.	.			trans	-77.9	125.4	165.8	-58.4	-171.3	0	0	0	108.1	I64 Y73 L75 F142 T149	I64-L91 HydrophobicContact CD1-CD1 4.49Å; I64-L91 HydrophobicContact CG2-CD1 3.96Å; Y73-L91 PolarHBondContact O-N 2.97Å; L75-L91 HydrophobicContact CB-CD2 4.18Å; L91-F142 HydrophobicContact CD1-CD2 4.31Å; L91-F142 HydrophobicContact CD1-CG 4.49Å; L91-F142 HydrophobicContact CD2-CD2 3.74Å; L91-F142 HydrophobicContact CD2-CE2 3.4Å; L91-F142 VanDerWaalsContact CD2-CE2 3.4Å; L91-F142 HydrophobicContact CD2-CZ 3.91Å; L91-T149 PolarHBondContact O-OG1 3.01Å
92	L	95.5	Very high	93.3	Very high	59 Å²	59	72.6 Å²	72.6	31%	0.309	36%	0.359	S	S	.	.			trans	-112.3	150.5	-179.4	-58	176.4	0	0	0	109.8	N94 M95 C146	L92-N94 WeakPolarHBondContact CB-OD1 3.42Å; L92-N94 PolarHBondContact O-N 2.9Å; L92-N94 VanDerWaalsContact O-N 3.07Å; L92-M95 HydrophobicContact CB-CE 4.09Å; L92-M95 HydrophobicContact CB-CG 4.13Å; L92-M95 HydrophobicContact CB-SD 4.41Å; L92-M95 HydrophobicContact CD1-CE 3.95Å; L92-M95 HydrophobicContact CG-CE 3.86Å; L92-M95 WeakPolarHBondContact O-CB 3.22Å; L92-M95 PolarHBondContact O-N 2.9Å; L92-C146 PolarHBondContact O-SG 2.69Å
93	K	92.7	Very high	92.8	Very high	130 Å²	130	70.3 Å²	70.3	57%	0.565	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-37.3	-179.2	-171.4	-147.5	-175.6	119.2	0	114	M95 C146 D150	K93-M95 VanDerWaalsContact C-N 3.31Å; K93-M95 PolarHBondContact O-N 2.86Å; K93-C146 WeakPolarHBondContact CA-O 2.93Å; K93-D150 WeakPolarHBondContact CD-OD1 3.39Å; K93-D150 WeakPolarHBondContact CD-OD2 3.47Å; K93-D150 VanDerWaalsContact CE-OD1 3.23Å; K93-D150 WeakPolarHBondContact CE-OD1 3.36Å; K93-D150 WeakPolarHBondContact CE-OD2 3.43Å; K93-D150 VanDerWaalsContact CG-OD1 3.28Å; K93-D150 WeakPolarHBondContact CG-OD1 3.11Å; K93-D150 WeakPolarHBondContact CG-OD2 3.47Å; K93-D150 IonicContact NZ-OD1 2.7Å; K93-D150 PolarHBondContact NZ-OD1 3.34Å; K93-D150 IonicContact NZ-OD2 2.67Å; K93-D150 PolarHBondContact NZ-OD2 2.69Å
94	N	92	Very high	92.7	Very high	117 Å²	117	66.5 Å²	66.5	63%	0.626	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	4.8	-176.5	66.9	-28.6	0	0	0	114.1	L92	L92-N94 WeakPolarHBondContact CB-OD1 3.42Å; L92-N94 PolarHBondContact O-N 2.9Å; L92-N94 VanDerWaalsContact O-N 3.07Å
95	M	96.3	Very high	92.7	Very high	17 Å²	17	64.4 Å²	64.4	8%	0.084	33%	0.333	C	S	.	.			trans	-81.2	141.7	172.4	-65.5	-175.5	178.8	0	0	110.5	Y90 L92 K93 T111 F142	Y90-M95 VanDerWaalsContact O-CE 3.31Å; Y90-M95 WeakPolarHBondContact O-CE 3.43Å; L92-M95 HydrophobicContact CB-CE 4.09Å; L92-M95 HydrophobicContact CB-CG 4.13Å; L92-M95 HydrophobicContact CB-SD 4.41Å; L92-M95 HydrophobicContact CD1-CE 3.95Å; L92-M95 HydrophobicContact CG-CE 3.86Å; L92-M95 WeakPolarHBondContact O-CB 3.22Å; L92-M95 PolarHBondContact O-N 2.9Å; K93-M95 VanDerWaalsContact C-N 3.31Å; K93-M95 PolarHBondContact O-N 2.86Å; M95-T111 WeakPolarHBondContact CE-OG1 3.46Å; M95-F142 HydrophobicContact CB-CE1 3.97Å; M95-F142 HydrophobicContact CB-CZ 4Å; M95-F142 HydrophobicContact SD-CZ 4.23Å
96	Y	94.7	Very high	92.6	Very high	138 Å²	138	63.2 Å²	63.2	54%	0.541	33%	0.326	S	S	.	.			trans	-146	144.5	175.1	55.9	-80.3	0	0	0	109.8	R98	Y96-R98 HydrophobicContact CD2-CG 3.91Å; Y96-R98 HydrophobicContact CE2-CG 3.75Å; Y96-R98 PolarHBondContact OH-NH2 3.44Å
97	L	96.8	Very high	92.6	Very high	15 Å²	15	63.9 Å²	63.9	8%	0.079	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-85	123.4	177	-67.4	170.7	0	0	0	109.4	F107 W109 F138 R139 F142	L97-F107 HydrophobicContact CB-CB 4.17Å; L97-F107 HydrophobicContact CB-CD1 3.9Å; L97-F107 HydrophobicContact CB-CG 4.16Å; L97-F107 HydrophobicContact CD1-CG 4.38Å; L97-F107 HydrophobicContact CD2-CB 3.78Å; L97-F107 HydrophobicContact CD2-CG 4.39Å; L97-F107 HydrophobicContact CG-CB 4.41Å; L97-W109 HydrophobicContact CD2-CB 4.07Å; L97-W109 HydrophobicContact CD2-CD2 4.24Å; L97-W109 HydrophobicContact CD2-CE3 3.89Å; L97-W109 HydrophobicContact CD2-CG 4.34Å; L97-F138 HydrophobicContact CD1-CD1 4.07Å; L97-F138 HydrophobicContact CD1-CE1 3.76Å; L97-F138 HydrophobicContact CD2-CE1 3.66Å; L97-F138 HydrophobicContact CD2-CZ 4.19Å; L97-F138 HydrophobicContact CG-CE1 4.4Å; L97-R139 HydrophobicContact CD1-CB 3.92Å; L97-R139 HydrophobicContact CD1-CG 3.86Å; L97-F142 HydrophobicContact CD1-CB 3.81Å; L97-F142 HydrophobicContact CD1-CD1 3.82Å; L97-F142 HydrophobicContact CD1-CD2 4.45Å; L97-F142 HydrophobicContact CD1-CG 3.78Å; L97-F142 HydrophobicContact CD2-CD1 4.24Å; L97-F142 HydrophobicContact CD2-CD2 4.31Å; L97-F142 HydrophobicContact CD2-CE1 4.22Å; L97-F142 HydrophobicContact CD2-CE2 4.27Å; L97-F142 HydrophobicContact CD2-CG 4.3Å; L97-F142 HydrophobicContact CD2-CZ 4.23Å; L97-F142 HydrophobicContact CG-CD1 3.71Å; L97-F142 HydrophobicContact CG-CE1 3.96Å; L97-F142 HydrophobicContact CG-CG 4.05Å; L97-F142 HydrophobicContact CG-CZ 4.47Å
98	R	94.7	Very high	92.5	Very high	124 Å²	124	64.9 Å²	64.9	47%	0.468	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124	169.5	-62.7	-174.5	-177.7	-156.1	-4	108.7	Y96 F107 V108	Y96-R98 HydrophobicContact CD2-CG 3.91Å; Y96-R98 HydrophobicContact CE2-CG 3.75Å; Y96-R98 PolarHBondContact OH-NH2 3.44Å; R98-F107 CarbonylContact O-C 3.56Å; R98-F107 WeakPolarHBondContact O-CA 3.37Å; R98-V108 PolarHBondContact N-O 2.95Å; R98-V108 PolarHBondContact O-N 2.8Å
99	P	91.4	Very high	92.5	Very high	94 Å²	94	63.6 Å²	63.6	61%	0.61	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.5	172.8	27.4	-33.2	0	0	0	109.6	C101 F107	P99-C101 PolarHBondContact O-N 2.83Å; P99-F107 HydrophobicContact CB-CD1 4.44Å; P99-F107 HydrophobicContact CB-CE1 4.28Å
100	N	80.9	Confident	92.5	Very high	19 Å²	19	66.7 Å²	66.7	10%	0.102	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	125.1	169.4	-172.3	-38	0	0	0	108.3	S102 S103 A106	N100-S102 PolarHBondContact O-N 3.31Å; N100-S102 PolarHBondContact OD1-N 2.85Å; N100-S102 PolarHBondContact OD1-OG 3.04Å; N100-S103 PolarHBondContact O-N 2.92Å; N100-A106 HydrophobicContact CB-CB 4.06Å; N100-A106 PolarHBondContact N-O 2.95Å
101	C	70.1	Confident	92.5	Very high	125 Å²	125	60.3 Å²	60.3	85%	0.845	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-21.9	-174.8	-63.3	0	0	0	0	114.2	P99	P99-C101 PolarHBondContact O-N 2.83Å
102	S	79.5	Confident	92.4	Very high	85 Å²	85	64.4 Å²	64.4	59%	0.594	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-5.6	-177.8	60.8	0	0	0	0	115	N100	N100-S102 PolarHBondContact O-N 3.31Å; N100-S102 PolarHBondContact OD1-N 2.85Å; N100-S102 PolarHBondContact OD1-OG 3.04Å
103	S	86.9	Confident	92.5	Very high	36 Å²	36	63.6 Å²	63.6	25%	0.252	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	123.8	-170.7	-167	0	0	0	0	114	N100 R105	N100-S103 PolarHBondContact O-N 2.92Å; S103-R105 PolarHBondContact O-N 3.14Å; S103-R105 PolarHBondContact OG-N 3.46Å
104	S	92.4	Very high	92.8	Very high	91 Å²	91	57.5 Å²	57.5	64%	0.636	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	0.8	166.9	59	0	0	0	0	113.7
105	R	95.3	Very high	93.1	Very high	98 Å²	98	56.1 Å²	56.1	37%	0.37	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	4.5	-175.9	-62.3	172.4	44	-179.1	-11.2	112.7	S103 R128 Y129 A130	S103-R105 PolarHBondContact O-N 3.14Å; S103-R105 PolarHBondContact OG-N 3.46Å; R105-R128 WeakPolarHBondContact O-CA 3.32Å; R105-Y129 VanDerWaalsContact CZ-O 3.23Å; R105-Y129 PolarHBondContact NE-O 2.91Å; R105-Y129 PolarHBondContact NH2-O 3.47Å; R105-Y129 PolarHBondContact O-N 2.82Å; R105-A130 PolarHBondContact NE-O 3.33Å; R105-A130 PolarHBondContact NH1-O 2.89Å; R105-A130 VanDerWaalsContact NH1-O 3.15Å; R105-A130 VanDerWaalsContact NH2-C 3.3Å; R105-A130 VanDerWaalsContact NH2-CA 3.33Å; R105-A130 PolarHBondContact NH2-O 2.92Å
106	A	96.8	Very high	93.1	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.033	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.9	-173.5	0	0	0	0	0	113	N100 V127 R128	N100-A106 HydrophobicContact CB-CB 4.06Å; N100-A106 PolarHBondContact N-O 2.95Å; A106-V127 CarbonylContact C-O 3.2Å; A106-V127 WeakPolarHBondContact CA-O 3.14Å; A106-V127 VanDerWaalsContact CB-O 3.29Å; A106-V127 WeakPolarHBondContact CB-O 3.42Å; A106-R128 HydrophobicContact CB-CB 4.32Å
107	F	97.7	Very high	93.2	Very high	14 Å²	14	52.5 Å²	52.5	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.7	176	-66	-73.6	0	0	0	110.8	L97 R98 P99 G126 V127 A135 F138 R139	L97-F107 HydrophobicContact CB-CB 4.17Å; L97-F107 HydrophobicContact CB-CD1 3.9Å; L97-F107 HydrophobicContact CB-CG 4.16Å; L97-F107 HydrophobicContact CD1-CG 4.38Å; L97-F107 HydrophobicContact CD2-CB 3.78Å; L97-F107 HydrophobicContact CD2-CG 4.39Å; L97-F107 HydrophobicContact CG-CB 4.41Å; R98-F107 CarbonylContact O-C 3.56Å; R98-F107 WeakPolarHBondContact O-CA 3.37Å; P99-F107 HydrophobicContact CB-CD1 4.44Å; P99-F107 HydrophobicContact CB-CE1 4.28Å; F107-G126 CarbonylContact O-C 3.59Å; F107-G126 WeakPolarHBondContact O-CA 3.44Å; F107-V127 HydrophobicContact CB-CG1 4.25Å; F107-V127 PolarHBondContact N-O 2.82Å; F107-V127 PolarHBondContact O-N 3.24Å; F107-A135 HydrophobicContact CD2-CB 4.42Å; F107-A135 HydrophobicContact CE2-CB 3.8Å; F107-A135 VanDerWaalsContact CE2-O 3.27Å; F107-A135 WeakPolarHBondContact CE2-O 3.46Å; F107-F138 HydrophobicContact CD2-CD1 4.09Å; F107-F138 HydrophobicContact CD2-CE1 4.48Å; F107-R139 HydrophobicContact CE2-CB 3.95Å; F107-R139 HydrophobicContact CZ-CB 3.94Å; F107-R139 HydrophobicContact CZ-CG 4.24Å
108	V	97.3	Very high	93.1	Very high	22 Å²	22	59.6 Å²	59.6	13%	0.133	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.9	174.9	174.4	0	0	0	0	109.2	W54 R98 L124 L125	W54-V108 HydrophobicContact CH2-CG1 3.83Å; W54-V108 HydrophobicContact CH2-CG2 3.89Å; W54-V108 HydrophobicContact CZ2-CG1 4.22Å; W54-V108 HydrophobicContact CZ2-CG2 3.93Å; R98-V108 PolarHBondContact N-O 2.95Å; R98-V108 PolarHBondContact O-N 2.8Å; V108-L124 HydrophobicContact CG1-CD1 3.62Å; V108-L124 HydrophobicContact CG1-CG 4.1Å; V108-L125 CarbonylContact C-O 3.52Å; V108-L125 VanDerWaalsContact CA-O 3.26Å; V108-L125 WeakPolarHBondContact CA-O 3.37Å
109	W	98	Very high	93.2	Very high	3 Å²	3	57.6 Å²	57.6	1%	0.011	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158	171.6	71.4	105.3	0	0	0	111	L42 L75 H89 L97 L125 V127 F138 F142	L42-W109 HydrophobicContact CD1-CH2 3.75Å; L42-W109 HydrophobicContact CD1-CZ2 4.43Å; L75-W109 HydrophobicContact CD1-CH2 4.16Å; L75-W109 HydrophobicContact CD1-CZ2 3.58Å; L75-W109 HydrophobicContact CD2-CZ2 4.45Å; H89-W109 AromaticContact CE1-CZ2 3.98Å; H89-W109 AromaticContact CE1-NE1 3.56Å; H89-W109 AromaticContact NE2-CE2 3.82Å; H89-W109 AromaticContact NE2-NE1 3.01Å; H89-W109 PolarHBondContact NE2-NE1 2.75Å; L97-W109 HydrophobicContact CD2-CB 4.07Å; L97-W109 HydrophobicContact CD2-CD2 4.24Å; L97-W109 HydrophobicContact CD2-CE3 3.89Å; L97-W109 HydrophobicContact CD2-CG 4.34Å; W109-L125 HydrophobicContact CD2-CB 4.19Å; W109-L125 HydrophobicContact CE3-CB 4.33Å; W109-L125 HydrophobicContact CH2-CB 3.91Å; W109-L125 HydrophobicContact CH2-CD1 4.5Å; W109-L125 HydrophobicContact CZ2-CB 3.76Å; W109-L125 HydrophobicContact CZ2-CD1 3.72Å; W109-L125 HydrophobicContact CZ2-CG 4.41Å; W109-L125 HydrophobicContact CZ3-CB 4.18Å; W109-L125 PolarHBondContact N-O 2.75Å; W109-L125 PolarHBondContact O-N 3.22Å; W109-V127 HydrophobicContact CH2-CB 4.03Å; W109-V127 HydrophobicContact CH2-CG1 4.29Å; W109-V127 HydrophobicContact CZ3-CB 3.69Å; W109-V127 HydrophobicContact CZ3-CG1 3.61Å; W109-F138 HydrophobicContact CZ3-CZ 4.43Å; W109-F142 HydrophobicContact CB-CZ 4.35Å; W109-F142 AromaticContact CD1-CZ 3.87Å; W109-F142 HydrophobicContact CD2-CE2 4.38Å; W109-F142 HydrophobicContact CG-CE2 4.28Å; W109-F142 HydrophobicContact CG-CZ 4.03Å
110	S	97.3	Very high	93.5	Very high	71 Å²	71	57.5 Å²	57.5	50%	0.497	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.1	171.9	-178.7	0	0	0	0	110	E123	S110-E123 WeakPolarHBondContact CA-O 3.48Å
111	T	97.5	Very high	94.3	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.012	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.6	167.3	179.6	0	0	0	0	109.7	H89 M95 A113 D114 P122 E123 L125	H89-T111 WeakPolarHBondContact CB-OG1 3.22Å; M95-T111 WeakPolarHBondContact CE-OG1 3.46Å; T111-A113 PolarHBondContact OG1-N 2.91Å; T111-D114 HydrophobicContact CG2-CB 3.88Å; T111-P122 CarbonylContact O-C 3.58Å; T111-P122 WeakPolarHBondContact O-CA 3.31Å; T111-E123 HydrophobicContact CG2-CB 3.89Å; T111-E123 PolarHBondContact N-O 3.41Å; T111-E123 PolarHBondContact O-N 3.38Å; T111-L125 HydrophobicContact CG2-CD1 3.98Å
112	T	96.9	Very high	95.6	Very high	88 Å²	88	59 Å²	59	54%	0.54	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-17	180	52.4	0	0	0	0	112.8
113	A	97.3	Very high	96.4	Very high	42 Å²	42	56 Å²	56	35%	0.347	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	62.6	-168.9	0	0	0	0	0	112.1	H89 T111 V120	H89-A113 WeakPolarHBondContact CB-O 3.29Å; T111-A113 PolarHBondContact OG1-N 2.91Å; A113-V120 HydrophobicContact CB-CG1 3.6Å
114	D	98.3	Very high	96.9	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.011	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	137.5	166.6	-167.7	77.9	0	0	0	111.2	A87 N88 H89 T111 A116 V119 V120 K121 E123	A87-D114 WeakPolarHBondContact CA-OD1 3.28Å; N88-D114 PolarHBondContact N-OD1 3.1Å; H89-D114 IonicContact CE1-OD1 3.85Å; H89-D114 IonicContact CG-OD1 2.69Å; H89-D114 IonicContact ND1-OD1 3.72Å; H89-D114 PolarHBondContact ND1-OD1 3.38Å; T111-D114 HydrophobicContact CG2-CB 3.88Å; D114-A116 WeakPolarHBondContact OD2-CB 3.26Å; D114-A116 PolarHBondContact OD2-N 3.2Å; D114-V119 VanDerWaalsContact O-O 3.08Å; D114-V120 CarbonylContact O-C 3.57Å; D114-V120 WeakPolarHBondContact O-CA 3.4Å; D114-K121 PolarHBondContact N-O 2.82Å; D114-K121 PolarHBondContact O-N 2.86Å; D114-E123 HydrophobicContact CB-CB 4.34Å; D114-E123 HydrophobicContact CB-CG 3.89Å
115	F	98.1	Very high	97.2	Very high	88 Å²	88	52.9 Å²	52.9	39%	0.386	29%	0.29	S	S	.	.			trans	-122.1	29.8	-175.7	-161.8	-108.4	0	0	0	112	N88 D117 E118 V120	N88-F115 WeakPolarHBondContact O-CB 3.37Å; N88-F115 PolarHBondContact O-N 2.74Å; F115-D117 VanDerWaalsContact C-N 3.32Å; F115-D117 PolarHBondContact O-N 2.7Å; F115-E118 HydrophobicContact CE1-CB 4.35Å; F115-E118 WeakPolarHBondContact CE2-O 3.41Å; F115-E118 VanDerWaalsContact CZ-C 3.47Å; F115-E118 HydrophobicContact CZ-CB 4.17Å; F115-E118 WeakPolarHBondContact CZ-O 3.26Å; F115-E118 PolarHBondContact O-N 2.81Å; F115-V120 HydrophobicContact CD2-CG2 3.75Å; F115-V120 HydrophobicContact CE2-CG2 4.16Å
116	A	97.3	Very high	97.3	Very high	11 Å²	11	48.2 Å²	48.2	9%	0.091	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-31.5	-179.2	0	0	0	0	0	114	V85 C86 D114	V85-A116 HydrophobicContact CG1-CB 4.05Å; C86-A116 VanDerWaalsContact C-CB 3.48Å; D114-A116 WeakPolarHBondContact OD2-CB 3.26Å; D114-A116 PolarHBondContact OD2-N 3.2Å
117	D	95.8	Very high	97.4	Very high	69 Å²	69	48.1 Å²	48.1	37%	0.369	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	22.1	-179	-48.3	-35.3	0	0	0	112	R57 F115 V119 K121	R57-D117 VanDerWaalsContact NH2-CG 3.27Å; R57-D117 IonicContact NH2-OD1 3.34Å; R57-D117 PolarHBondContact NH2-OD1 2.91Å; R57-D117 IonicContact NH2-OD2 3.75Å; R57-D117 PolarHBondContact NH2-OD2 3.06Å; F115-D117 VanDerWaalsContact C-N 3.32Å; F115-D117 PolarHBondContact O-N 2.7Å; D117-V119 PolarHBondContact O-N 2.91Å; D117-K121 IonicContact OD2-NZ 2.85Å; D117-K121 PolarHBondContact OD2-NZ 2.87Å
118	E	96	Very high	97.3	Very high	164 Å²	164	49.7 Å²	49.7	77%	0.766	28%	0.277	S	S	*	.	S	Bend	trans	58.4	18.6	-174.5	-55	-178.2	158.7	0	0	114.2	F115	F115-E118 HydrophobicContact CE1-CB 4.35Å; F115-E118 WeakPolarHBondContact CE2-O 3.41Å; F115-E118 VanDerWaalsContact CZ-C 3.47Å; F115-E118 HydrophobicContact CZ-CB 4.17Å; F115-E118 WeakPolarHBondContact CZ-O 3.26Å; F115-E118 PolarHBondContact O-N 2.81Å
119	V	97.2	Very high	97.4	Very high	82 Å²	82	48.8 Å²	48.8	50%	0.497	27%	0.271	S	S	.	.	S	Bend	trans	-133.9	131	175.7	178.1	0	0	0	0	107.6	D114 D117 K121	D114-V119 VanDerWaalsContact O-O 3.08Å; D117-V119 PolarHBondContact O-N 2.91Å; V119-K121 HydrophobicContact CG1-CG 4.24Å; V119-K121 PolarHBondContact O-N 2.96Å
120	V	97.5	Very high	97.3	Very high	91 Å²	91	51.8 Å²	51.8	55%	0.552	30%	0.296	S	S	*	.			trans	-69	120.4	178	-178.5	0	0	0	0	109.4	A113 D114 F115	A113-V120 HydrophobicContact CB-CG1 3.6Å; D114-V120 CarbonylContact O-C 3.57Å; D114-V120 WeakPolarHBondContact O-CA 3.4Å; F115-V120 HydrophobicContact CD2-CG2 3.75Å; F115-V120 HydrophobicContact CE2-CG2 4.16Å
121	K	96.7	Very high	97.2	Very high	76 Å²	76	50.9 Å²	50.9	33%	0.33	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.5	179.3	-63	176	-170.2	169.5	0	111.5	D114 D117 V119 E123	D114-K121 PolarHBondContact N-O 2.82Å; D114-K121 PolarHBondContact O-N 2.86Å; D117-K121 IonicContact OD2-NZ 2.85Å; D117-K121 PolarHBondContact OD2-NZ 2.87Å; V119-K121 HydrophobicContact CG1-CG 4.24Å; V119-K121 PolarHBondContact O-N 2.96Å; K121-E123 HydrophobicContact CB-CG 4.5Å
122	P	97.1	Very high	97.1	Very high	101 Å²	101	53.5 Å²	53.5	66%	0.656	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.9	164.7	30.9	-33	0	0	0	109.4	T111	T111-P122 CarbonylContact O-C 3.58Å; T111-P122 WeakPolarHBondContact O-CA 3.31Å
123	E	97.1	Very high	97.1	Very high	20 Å²	20	54 Å²	54	9%	0.093	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.6	-177.7	-69	-74.1	-157.2	0	0	110.7	R44 R57 S110 T111 D114 K121 L125	R44-E123 WeakPolarHBondContact CD-OE2 3.32Å; R44-E123 WeakPolarHBondContact CG-OE2 3.49Å; R44-E123 IonicContact NE-OE1 3.96Å; R44-E123 PolarHBondContact NE-OE1 2.8Å; R44-E123 IonicContact NE-OE2 2.7Å; R57-E123 IonicContact CZ-OE1 3.46Å; R57-E123 IonicContact NH1-OE1 3.24Å; R57-E123 PolarHBondContact NH1-OE1 2.87Å; R57-E123 IonicContact NH2-OE1 2.82Å; S110-E123 WeakPolarHBondContact CA-O 3.48Å; T111-E123 HydrophobicContact CG2-CB 3.89Å; T111-E123 PolarHBondContact N-O 3.41Å; T111-E123 PolarHBondContact O-N 3.38Å; D114-E123 HydrophobicContact CB-CB 4.34Å; D114-E123 HydrophobicContact CB-CG 3.89Å; K121-E123 HydrophobicContact CB-CG 4.5Å; E123-L125 HydrophobicContact CB-CD1 4.48Å; E123-L125 HydrophobicContact CB-CD2 3.94Å; E123-L125 HydrophobicContact CB-CG 3.95Å
124	L	97.5	Very high	97.1	Very high	62 Å²	62	55.7 Å²	55.7	33%	0.325	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	109.8	163.8	-179.3	67.5	0	0	0	107.6	F45 W54 V108	F45-L124 HydrophobicContact CB-CB 3.92Å; F45-L124 HydrophobicContact CB-CD2 3.79Å; F45-L124 HydrophobicContact CB-CG 4.03Å; F45-L124 HydrophobicContact CD1-CD2 3.81Å; F45-L124 HydrophobicContact CG-CD2 3.9Å; F45-L124 PolarHBondContact N-O 3.45Å; W54-L124 HydrophobicContact CH2-CD2 4.37Å; W54-L124 HydrophobicContact CH2-CG 4.1Å; V108-L124 HydrophobicContact CG1-CD1 3.62Å; V108-L124 HydrophobicContact CG1-CG 4.1Å
125	L	98.1	Very high	97.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.6	-171.2	-62.7	176.7	0	0	0	110.6	L42 F43 R44 V108 W109 T111 E123	L42-L125 HydrophobicContact CD1-CB 4.37Å; F43-L125 WeakPolarHBondContact O-CA 3.43Å; R44-L125 HydrophobicContact CB-CD2 4.44Å; R44-L125 HydrophobicContact CG-CD2 4.4Å; V108-L125 CarbonylContact C-O 3.52Å; V108-L125 VanDerWaalsContact CA-O 3.26Å; V108-L125 WeakPolarHBondContact CA-O 3.37Å; W109-L125 HydrophobicContact CD2-CB 4.19Å; W109-L125 HydrophobicContact CE3-CB 4.33Å; W109-L125 HydrophobicContact CH2-CB 3.91Å; W109-L125 HydrophobicContact CH2-CD1 4.5Å; W109-L125 HydrophobicContact CZ2-CB 3.76Å; W109-L125 HydrophobicContact CZ2-CD1 3.72Å; W109-L125 HydrophobicContact CZ2-CG 4.41Å; W109-L125 HydrophobicContact CZ3-CB 4.18Å; W109-L125 PolarHBondContact N-O 2.75Å; W109-L125 PolarHBondContact O-N 3.22Å; T111-L125 HydrophobicContact CG2-CD1 3.98Å; E123-L125 HydrophobicContact CB-CD1 4.48Å; E123-L125 HydrophobicContact CB-CD2 3.94Å; E123-L125 HydrophobicContact CB-CG 3.95Å
126	G	97.5	Very high	97	Very high	1 Å²	1	56 Å²	56	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.2	171.5	0	0	0	0	0	109.6	L42 F43 F107	L42-G126 CarbonylContact C-O 3.58Å; L42-G126 WeakPolarHBondContact CA-O 3.18Å; F43-G126 PolarHBondContact N-O 2.86Å; F43-G126 PolarHBondContact O-N 2.95Å; F107-G126 CarbonylContact O-C 3.59Å; F107-G126 WeakPolarHBondContact O-CA 3.44Å
127	V	98.2	Very high	97	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.8	174.2	68.9	0	0	0	0	110	A40 Q41 L42 L62 A106 F107 W109 Y129 F138	A40-V127 HydrophobicContact CB-CG2 3.65Å; Q41-V127 WeakPolarHBondContact O-CA 3.1Å; L42-V127 HydrophobicContact CD1-CB 4.47Å; L62-V127 HydrophobicContact CD1-CG2 4.02Å; A106-V127 CarbonylContact C-O 3.2Å; A106-V127 WeakPolarHBondContact CA-O 3.14Å; A106-V127 VanDerWaalsContact CB-O 3.29Å; A106-V127 WeakPolarHBondContact CB-O 3.42Å; F107-V127 HydrophobicContact CB-CG1 4.25Å; F107-V127 PolarHBondContact N-O 2.82Å; F107-V127 PolarHBondContact O-N 3.24Å; W109-V127 HydrophobicContact CH2-CB 4.03Å; W109-V127 HydrophobicContact CH2-CG1 4.29Å; W109-V127 HydrophobicContact CZ3-CB 3.69Å; W109-V127 HydrophobicContact CZ3-CG1 3.61Å; V127-Y129 HydrophobicContact CB-CE2 4.37Å; V127-Y129 HydrophobicContact CG1-CD2 4.48Å; V127-Y129 HydrophobicContact CG1-CE2 3.73Å; V127-Y129 HydrophobicContact CG2-CD2 4.34Å; V127-Y129 HydrophobicContact CG2-CE1 4.49Å; V127-Y129 HydrophobicContact CG2-CE2 3.67Å; V127-F138 HydrophobicContact CG1-CD1 4.24Å; V127-F138 HydrophobicContact CG1-CE1 3.75Å; V127-F138 HydrophobicContact CG1-CZ 4.28Å
128	R	97.4	Very high	97.2	Very high	47 Å²	47	56.1 Å²	56.1	18%	0.177	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.8	173.5	-179	171.1	61.3	-173.2	5.1	110.7	Q41 F43 R105 A106	Q41-R128 PolarHBondContact N-O 3.45Å; Q41-R128 PolarHBondContact O-N 2.89Å; F43-R128 HydrophobicContact CE2-CB 4Å; R105-R128 WeakPolarHBondContact O-CA 3.32Å; A106-R128 HydrophobicContact CB-CB 4.32Å
129	Y	97.9	Very high	97.2	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	164.6	178.5	-68.5	-81	0	0	0	112.6	F36 Q38 A40 R105 V127 N131 A135 F138	F36-Y129 AromaticContact CE1-CE1 3.99Å; F36-Y129 HydrophobicContact CE1-CE1 3.99Å; F36-Y129 AromaticContact CZ-CE1 3.74Å; F36-Y129 HydrophobicContact CZ-CE1 3.74Å; F36-Y129 AromaticContact CZ-CZ 3.95Å; Q38-Y129 HydrophobicContact CB-CD1 4.24Å; Q38-Y129 HydrophobicContact CB-CE1 4Å; A40-Y129 HydrophobicContact CB-CD1 3.97Å; A40-Y129 HydrophobicContact CB-CE1 3.64Å; R105-Y129 VanDerWaalsContact CZ-O 3.23Å; R105-Y129 PolarHBondContact NE-O 2.91Å; R105-Y129 PolarHBondContact NH2-O 3.47Å; R105-Y129 PolarHBondContact O-N 2.82Å; V127-Y129 HydrophobicContact CB-CE2 4.37Å; V127-Y129 HydrophobicContact CG1-CD2 4.48Å; V127-Y129 HydrophobicContact CG1-CE2 3.73Å; V127-Y129 HydrophobicContact CG2-CD2 4.34Å; V127-Y129 HydrophobicContact CG2-CE1 4.49Å; V127-Y129 HydrophobicContact CG2-CE2 3.67Å; Y129-N131 VanDerWaalsContact C-N 3.33Å; Y129-N131 PolarHBondContact O-N 3.29Å; Y129-A135 HydrophobicContact CD2-CB 3.88Å; Y129-A135 HydrophobicContact CG-CB 4.46Å; Y129-F138 HydrophobicContact CE2-CB 3.78Å; Y129-F138 AromaticContact CE2-CD1 3.78Å; Y129-F138 HydrophobicContact CE2-CD1 3.78Å; Y129-F138 AromaticContact CE2-CG 3.78Å; Y129-F138 HydrophobicContact CE2-CG 3.78Å; Y129-F138 AromaticContact CZ-CG 3.75Å; Y129-F138 WeakPolarHBondContact OH-CD2 3.47Å; Y129-F138 WeakPolarHBondContact OH-CG 3.49Å
130	A	96.6	Very high	97.3	Very high	65 Å²	65	55.5 Å²	55.5	54%	0.537	29%	0.29	S	S	.	.	S	Bend	trans	-67.7	-27.6	177.6	0	0	0	0	0	113.8	R105 Y134	R105-A130 PolarHBondContact NE-O 3.33Å; R105-A130 PolarHBondContact NH1-O 2.89Å; R105-A130 VanDerWaalsContact NH1-O 3.15Å; R105-A130 VanDerWaalsContact NH2-C 3.3Å; R105-A130 VanDerWaalsContact NH2-CA 3.33Å; R105-A130 PolarHBondContact NH2-O 2.92Å; A130-Y134 HydrophobicContact CB-CD2 4.42Å
131	N	95.1	Very high	97.3	Very high	52 Å²	52	51.9 Å²	51.9	28%	0.278	27%	0.268	S	S	.	.	S	Bend	trans	-149.3	167.2	177.9	60.4	45.8	0	0	0	110.3	Y129 T133 Y134 A135	Y129-N131 VanDerWaalsContact C-N 3.33Å; Y129-N131 PolarHBondContact O-N 3.29Å; N131-T133 VanDerWaalsContact C-N 3.31Å; N131-T133 WeakPolarHBondContact OD1-CB 3.34Å; N131-T133 PolarHBondContact OD1-N 3.42Å; N131-Y134 WeakPolarHBondContact ND2-CD2 3.42Å; N131-Y134 WeakPolarHBondContact ND2-CE2 3.46Å; N131-Y134 WeakPolarHBondContact OD1-CB 3.47Å; N131-Y134 VanDerWaalsContact OD1-CD2 3.26Å; N131-Y134 WeakPolarHBondContact OD1-CD2 3.37Å; N131-Y134 PolarHBondContact OD1-N 3.38Å; N131-A135 PolarHBondContact O-N 2.75Å
132	S	95.5	Very high	97.3	Very high	58 Å²	58	48.3 Å²	48.3	41%	0.406	25%	0.252	S	S	.	.	H	α-helix	trans	-72	-26.7	-178.7	51.8	0	0	0	0	112.3	A135 E136	S132-A135 WeakPolarHBondContact O-CB 3.44Å; S132-A135 PolarHBondContact O-N 2.91Å; S132-E136 PolarHBondContact O-N 2.86Å
133	T	97.2	Very high	97.3	Very high	98 Å²	98	46.5 Å²	46.5	60%	0.601	24%	0.235	S	C	*	.	H	α-helix	trans	-60.5	-47.6	177.1	-51.8	0	0	0	0	111.7	N131 A135 E136 E137	N131-T133 VanDerWaalsContact C-N 3.31Å; N131-T133 WeakPolarHBondContact OD1-CB 3.34Å; N131-T133 PolarHBondContact OD1-N 3.42Å; T133-A135 VanDerWaalsContact C-N 3.31Å; T133-A135 PolarHBondContact O-N 3.04Å; T133-E136 PolarHBondContact O-N 3.12Å; T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 PolarHBondContact O-N 2.93Å
134	Y	97.5	Very high	97.3	Very high	78 Å²	78	50 Å²	50	31%	0.306	25%	0.252	S	S	.	.	H	α-helix	trans	-66.9	-33.7	176.2	-61.7	-28.5	0	0	0	112.4	Q38 A130 N131 F138	Q38-Y134 HydrophobicContact CG-CD1 3.97Å; Q38-Y134 HydrophobicContact CG-CG 4.05Å; A130-Y134 HydrophobicContact CB-CD2 4.42Å; N131-Y134 WeakPolarHBondContact ND2-CD2 3.42Å; N131-Y134 WeakPolarHBondContact ND2-CE2 3.46Å; N131-Y134 WeakPolarHBondContact OD1-CB 3.47Å; N131-Y134 VanDerWaalsContact OD1-CD2 3.26Å; N131-Y134 WeakPolarHBondContact OD1-CD2 3.37Å; N131-Y134 PolarHBondContact OD1-N 3.38Å; Y134-F138 WeakPolarHBondContact O-CB 3.37Å; Y134-F138 PolarHBondContact O-N 3.35Å
135	A	97.1	Very high	97.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-46.2	175.5	0	0	0	0	0	110.6	F107 Y129 N131 S132 T133 F138 R139	F107-A135 HydrophobicContact CD2-CB 4.42Å; F107-A135 HydrophobicContact CE2-CB 3.8Å; F107-A135 VanDerWaalsContact CE2-O 3.27Å; F107-A135 WeakPolarHBondContact CE2-O 3.46Å; Y129-A135 HydrophobicContact CD2-CB 3.88Å; Y129-A135 HydrophobicContact CG-CB 4.46Å; N131-A135 PolarHBondContact O-N 2.75Å; S132-A135 WeakPolarHBondContact O-CB 3.44Å; S132-A135 PolarHBondContact O-N 2.91Å; T133-A135 VanDerWaalsContact C-N 3.31Å; T133-A135 PolarHBondContact O-N 3.04Å; A135-F138 WeakPolarHBondContact O-CB 3.33Å; A135-F138 PolarHBondContact O-N 2.89Å; A135-R139 WeakPolarHBondContact O-CB 3.28Å; A135-R139 PolarHBondContact O-N 3.47Å
136	E	96.9	Very high	97.1	Very high	97 Å²	97	47.4 Å²	47.4	45%	0.453	24%	0.239	S	C	.	.	H	α-helix	trans	-68.8	-37.9	178.9	-166.1	60.3	-153.5	0	0	112.3	S132 T133 R139 K140	S132-E136 PolarHBondContact O-N 2.86Å; T133-E136 PolarHBondContact O-N 3.12Å; E136-R139 PolarHBondContact O-N 3.19Å; E136-R139 IonicContact OE1-NH1 2.96Å; E136-R139 PolarHBondContact OE1-NH1 3.2Å; E136-R139 IonicContact OE2-NH1 3.54Å; E136-K140 WeakPolarHBondContact O-CB 2.9Å; E136-K140 PolarHBondContact O-N 3.47Å
137	E	98	Very high	97	Very high	81 Å²	81	53.6 Å²	53.6	38%	0.379	27%	0.267	S	S	.	.	H	α-helix	trans	-60.2	-46.3	172.4	-172.8	-172.7	-168.8	0	0	111.2	F36 Q38 T133 R139 K140 V141	F36-E137 HydrophobicContact CD2-CB 4.48Å; F36-E137 HydrophobicContact CD2-CG 3.89Å; F36-E137 HydrophobicContact CE2-CB 4.06Å; F36-E137 HydrophobicContact CE2-CG 3.92Å; Q38-E137 PolarHBondContact NE2-OE2 2.94Å; T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 PolarHBondContact O-N 2.93Å; E137-R139 VanDerWaalsContact C-N 3.34Å; E137-R139 PolarHBondContact O-N 3.06Å; E137-K140 PolarHBondContact O-N 3.06Å; E137-V141 WeakPolarHBondContact O-CG2 3.29Å; E137-V141 PolarHBondContact O-N 3.41Å; E137-V141 VanDerWaalsContact O-N 3.14Å
138	F	98.3	Very high	96.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-56.7	-49.5	173.9	168.3	-109.9	0	0	0	111.2	F36 L62 I64 L75 L97 F107 W109 V127 Y129 Y134 A135 K140 V141 F142	F36-F138 HydrophobicContact CD1-CD2 4.11Å; F36-F138 HydrophobicContact CD2-CB 4.49Å; F36-F138 HydrophobicContact CE1-CB 4.02Å; F36-F138 AromaticContact CE1-CD2 3.89Å; F36-F138 HydrophobicContact CE1-CD2 3.89Å; F36-F138 HydrophobicContact CE1-CG 4.39Å; F36-F138 HydrophobicContact CE2-CB 3.84Å; F36-F138 HydrophobicContact CZ-CB 3.55Å; F36-F138 HydrophobicContact CZ-CD2 4.32Å; F36-F138 HydrophobicContact CZ-CG 4.38Å; L62-F138 HydrophobicContact CD2-CD2 3.96Å; L62-F138 HydrophobicContact CD2-CE2 3.72Å; I64-F138 HydrophobicContact CD1-CD2 3.9Å; I64-F138 HydrophobicContact CD1-CE2 3.91Å; I64-F138 HydrophobicContact CG1-CE2 4.41Å; L75-F138 HydrophobicContact CD1-CE2 4.01Å; L75-F138 HydrophobicContact CD1-CZ 4.15Å; L97-F138 HydrophobicContact CD1-CD1 4.07Å; L97-F138 HydrophobicContact CD1-CE1 3.76Å; L97-F138 HydrophobicContact CD2-CE1 3.66Å; L97-F138 HydrophobicContact CD2-CZ 4.19Å; L97-F138 HydrophobicContact CG-CE1 4.4Å; F107-F138 HydrophobicContact CD2-CD1 4.09Å; F107-F138 HydrophobicContact CD2-CE1 4.48Å; W109-F138 HydrophobicContact CZ3-CZ 4.43Å; V127-F138 HydrophobicContact CG1-CD1 4.24Å; V127-F138 HydrophobicContact CG1-CE1 3.75Å; V127-F138 HydrophobicContact CG1-CZ 4.28Å; Y129-F138 HydrophobicContact CE2-CB 3.78Å; Y129-F138 AromaticContact CE2-CD1 3.78Å; Y129-F138 HydrophobicContact CE2-CD1 3.78Å; Y129-F138 AromaticContact CE2-CG 3.78Å; Y129-F138 HydrophobicContact CE2-CG 3.78Å; Y129-F138 AromaticContact CZ-CG 3.75Å; Y129-F138 WeakPolarHBondContact OH-CD2 3.47Å; Y129-F138 WeakPolarHBondContact OH-CG 3.49Å; Y134-F138 WeakPolarHBondContact O-CB 3.37Å; Y134-F138 PolarHBondContact O-N 3.35Å; A135-F138 WeakPolarHBondContact O-CB 3.33Å; A135-F138 PolarHBondContact O-N 2.89Å; F138-K140 VanDerWaalsContact C-N 3.35Å; F138-K140 PolarHBondContact O-N 3.35Å; F138-V141 PolarHBondContact O-N 2.97Å; F138-F142 HydrophobicContact CE1-CD2 4.35Å; F138-F142 HydrophobicContact CE2-CB 4.44Å; F138-F142 AromaticContact CE2-CD2 3.94Å; F138-F142 HydrophobicContact CE2-CD2 3.94Å; F138-F142 HydrophobicContact CZ-CB 4.43Å; F138-F142 AromaticContact CZ-CD2 3.6Å; F138-F142 HydrophobicContact CZ-CD2 3.6Å; F138-F142 HydrophobicContact CZ-CE2 4.24Å; F138-F142 HydrophobicContact CZ-CG 4.31Å; F138-F142 VanDerWaalsContact O-CB 3.22Å; F138-F142 WeakPolarHBondContact O-CB 3.09Å; F138-F142 PolarHBondContact O-N 2.89Å
139	R	97.3	Very high	95.7	Very high	89 Å²	89	53.8 Å²	53.8	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-56.7	-48.8	-179.8	179.8	-174.9	175.5	-147.4	-3.7	111.6	L97 F107 A135 E136 E137 V141 F142 E143	L97-R139 HydrophobicContact CD1-CB 3.92Å; L97-R139 HydrophobicContact CD1-CG 3.86Å; F107-R139 HydrophobicContact CE2-CB 3.95Å; F107-R139 HydrophobicContact CZ-CB 3.94Å; F107-R139 HydrophobicContact CZ-CG 4.24Å; A135-R139 WeakPolarHBondContact O-CB 3.28Å; A135-R139 PolarHBondContact O-N 3.47Å; E136-R139 PolarHBondContact O-N 3.19Å; E136-R139 IonicContact OE1-NH1 2.96Å; E136-R139 PolarHBondContact OE1-NH1 3.2Å; E136-R139 IonicContact OE2-NH1 3.54Å; E137-R139 VanDerWaalsContact C-N 3.34Å; E137-R139 PolarHBondContact O-N 3.06Å; R139-V141 PolarHBondContact O-N 2.88Å; R139-F142 PolarHBondContact O-N 2.9Å; R139-E143 HydrophobicContact CG-CG 4.39Å; R139-E143 WeakPolarHBondContact CG-OE1 3.43Å; R139-E143 IonicContact CZ-OE1 3.41Å; R139-E143 IonicContact NE-OE1 2.7Å; R139-E143 PolarHBondContact NE-OE1 3.35Å; R139-E143 IonicContact NH2-OE1 3.13Å; R139-E143 PolarHBondContact NH2-OE1 3.24Å; R139-E143 WeakPolarHBondContact O-CB 3.45Å; R139-E143 WeakPolarHBondContact O-CG 3.27Å; R139-E143 PolarHBondContact O-N 3.37Å
140	K	97.7	Very high	94	Very high	144 Å²	144	56.8 Å²	56.8	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-56.1	-51.1	179.2	-175.3	-171.7	174.7	-169.2	0	111.6	E136 E137 F138 E144	E136-K140 WeakPolarHBondContact O-CB 2.9Å; E136-K140 PolarHBondContact O-N 3.47Å; E137-K140 PolarHBondContact O-N 3.06Å; F138-K140 VanDerWaalsContact C-N 3.35Å; F138-K140 PolarHBondContact O-N 3.35Å; K140-E144 WeakPolarHBondContact O-CB 3.48Å; K140-E144 PolarHBondContact O-N 3.48Å
141	V	98	Very high	92.2	Very high	16 Å²	16	60.5 Å²	60.5	10%	0.097	30%	0.299	C	S	.	.	H	α-helix	trans	-70.5	-33.9	-177.8	-179.3	0	0	0	0	111.7	L35 F36 I64 E137 F138 R139 G145	L35-V141 HydrophobicContact CB-CG1 3.83Å; F36-V141 HydrophobicContact CB-CB 4.22Å; F36-V141 HydrophobicContact CB-CG1 4.01Å; F36-V141 HydrophobicContact CB-CG2 4.33Å; I64-V141 HydrophobicContact CB-CG1 4.08Å; I64-V141 HydrophobicContact CD1-CB 4.08Å; I64-V141 HydrophobicContact CD1-CG1 3.84Å; I64-V141 HydrophobicContact CG2-CG1 4.01Å; E137-V141 WeakPolarHBondContact O-CG2 3.29Å; E137-V141 PolarHBondContact O-N 3.41Å; E137-V141 VanDerWaalsContact O-N 3.14Å; F138-V141 PolarHBondContact O-N 2.97Å; R139-V141 PolarHBondContact O-N 2.88Å; V141-G145 PolarHBondContact O-N 3.47Å
142	F	98.2	Very high	90.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-49.5	175.5	-173.2	-77.4	0	0	0	111.4	I64 L75 L91 M95 L97 W109 F138 R139 G145 C146	I64-F142 HydrophobicContact CD1-CB 4.05Å; L75-F142 HydrophobicContact CD1-CD2 4.44Å; L75-F142 HydrophobicContact CD1-CE2 4.28Å; L91-F142 HydrophobicContact CD1-CD2 4.31Å; L91-F142 HydrophobicContact CD1-CG 4.49Å; L91-F142 HydrophobicContact CD2-CD2 3.74Å; L91-F142 HydrophobicContact CD2-CE2 3.4Å; L91-F142 VanDerWaalsContact CD2-CE2 3.4Å; L91-F142 HydrophobicContact CD2-CZ 3.91Å; M95-F142 HydrophobicContact CB-CE1 3.97Å; M95-F142 HydrophobicContact CB-CZ 4Å; M95-F142 HydrophobicContact SD-CZ 4.23Å; L97-F142 HydrophobicContact CD1-CB 3.81Å; L97-F142 HydrophobicContact CD1-CD1 3.82Å; L97-F142 HydrophobicContact CD1-CD2 4.45Å; L97-F142 HydrophobicContact CD1-CG 3.78Å; L97-F142 HydrophobicContact CD2-CD1 4.24Å; L97-F142 HydrophobicContact CD2-CD2 4.31Å; L97-F142 HydrophobicContact CD2-CE1 4.22Å; L97-F142 HydrophobicContact CD2-CE2 4.27Å; L97-F142 HydrophobicContact CD2-CG 4.3Å; L97-F142 HydrophobicContact CD2-CZ 4.23Å; L97-F142 HydrophobicContact CG-CD1 3.71Å; L97-F142 HydrophobicContact CG-CE1 3.96Å; L97-F142 HydrophobicContact CG-CG 4.05Å; L97-F142 HydrophobicContact CG-CZ 4.47Å; W109-F142 HydrophobicContact CB-CZ 4.35Å; W109-F142 AromaticContact CD1-CZ 3.87Å; W109-F142 HydrophobicContact CD2-CE2 4.38Å; W109-F142 HydrophobicContact CG-CE2 4.28Å; W109-F142 HydrophobicContact CG-CZ 4.03Å; F138-F142 HydrophobicContact CE1-CD2 4.35Å; F138-F142 HydrophobicContact CE2-CB 4.44Å; F138-F142 AromaticContact CE2-CD2 3.94Å; F138-F142 HydrophobicContact CE2-CD2 3.94Å; F138-F142 HydrophobicContact CZ-CB 4.43Å; F138-F142 AromaticContact CZ-CD2 3.6Å; F138-F142 HydrophobicContact CZ-CD2 3.6Å; F138-F142 HydrophobicContact CZ-CE2 4.24Å; F138-F142 HydrophobicContact CZ-CG 4.31Å; F138-F142 VanDerWaalsContact O-CB 3.22Å; F138-F142 WeakPolarHBondContact O-CB 3.09Å; F138-F142 PolarHBondContact O-N 2.89Å; R139-F142 PolarHBondContact O-N 2.9Å; F142-G145 PolarHBondContact O-N 3.13Å; F142-C146 WeakPolarHBondContact CE1-SG 3.26Å; F142-C146 PolarHBondContact O-N 2.7Å; F142-C146 PolarHBondContact O-SG 3.21Å
143	E	96.8	Very high	88.2	Confident	64 Å²	64	66.2 Å²	66.2	30%	0.299	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-40.7	178.7	-71.1	176.7	-178.7	0	0	111.3	R139 C146 Q147	R139-E143 HydrophobicContact CG-CG 4.39Å; R139-E143 WeakPolarHBondContact CG-OE1 3.43Å; R139-E143 IonicContact CZ-OE1 3.41Å; R139-E143 IonicContact NE-OE1 2.7Å; R139-E143 PolarHBondContact NE-OE1 3.35Å; R139-E143 IonicContact NH2-OE1 3.13Å; R139-E143 PolarHBondContact NH2-OE1 3.24Å; R139-E143 WeakPolarHBondContact O-CB 3.45Å; R139-E143 WeakPolarHBondContact O-CG 3.27Å; R139-E143 PolarHBondContact O-N 3.37Å; E143-C146 PolarHBondContact O-N 2.85Å; E143-Q147 VanDerWaalsContact O-CG 3.29Å; E143-Q147 WeakPolarHBondContact O-CG 3.39Å; E143-Q147 PolarHBondContact O-N 3.33Å
144	E	95.9	Very high	85.6	Confident	94 Å²	94	65.5 Å²	65.5	44%	0.439	32%	0.319	S	S	.	.	H	α-helix	trans	-58.5	-47.1	173.2	-175.1	-174.1	146.2	0	0	111.9	K140 C146 Q147 A148	K140-E144 WeakPolarHBondContact O-CB 3.48Å; K140-E144 PolarHBondContact O-N 3.48Å; E144-C146 PolarHBondContact O-N 2.95Å; E144-Q147 PolarHBondContact O-N 3.22Å; E144-A148 WeakPolarHBondContact O-CB 3.49Å; E144-A148 PolarHBondContact O-N 3.43Å
145	G	96.6	Very high	83.2	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-65.2	-35.6	178.5	0	0	0	0	0	113.8	V141 F142 T149	V141-G145 PolarHBondContact O-N 3.47Å; F142-G145 PolarHBondContact O-N 3.13Å; G145-T149 PolarHBondContact O-OG1 3.15Å
146	C	96	Very high	80.5	Confident	7 Å²	7	75 Å²	75	5%	0.047	38%	0.375	C	S	.	.	H	α-helix	trans	-65.4	-41	174	-64.5	0	0	0	0	111.4	L92 K93 F142 E143 E144	L92-C146 PolarHBondContact O-SG 2.69Å; K93-C146 WeakPolarHBondContact CA-O 2.93Å; F142-C146 WeakPolarHBondContact CE1-SG 3.26Å; F142-C146 PolarHBondContact O-N 2.7Å; F142-C146 PolarHBondContact O-SG 3.21Å; E143-C146 PolarHBondContact O-N 2.85Å; E144-C146 PolarHBondContact O-N 2.95Å
147	Q	93.7	Very high	77.5	Confident	130 Å²	130	81.1 Å²	81.1	61%	0.607	39%	0.394	S	S	*	.	H	α-helix	trans	-69.1	-43.7	178.3	-69.4	168.7	29.1	0	0	112.3	E143 E144 T149 D150	E143-Q147 VanDerWaalsContact O-CG 3.29Å; E143-Q147 WeakPolarHBondContact O-CG 3.39Å; E143-Q147 PolarHBondContact O-N 3.33Å; E144-Q147 PolarHBondContact O-N 3.22Å; Q147-T149 PolarHBondContact O-N 3.44Å; Q147-T149 VanDerWaalsContact O-N 3.1Å; Q147-D150 WeakPolarHBondContact O-CB 3.43Å; Q147-D150 PolarHBondContact O-N 2.88Å; Q147-D150 VanDerWaalsContact O-N 3.15Å
148	A	90.7	Very high	74.5	Confident	27 Å²	27	82.2 Å²	82.2	22%	0.223	41%	0.408	C	S	.	.	H	α-helix	trans	-63.1	-19	-178.8	0	0	0	0	0	114.1	Y73 E144 D150 E151	Y73-A148 HydrophobicContact CD2-CB 4.37Å; Y73-A148 HydrophobicContact CE2-CB 3.74Å; E144-A148 WeakPolarHBondContact O-CB 3.49Å; E144-A148 PolarHBondContact O-N 3.43Å; A148-D150 PolarHBondContact O-N 3.28Å; A148-E151 PolarHBondContact O-N 2.86Å
149	T	78.8	Confident	71.4	Confident	26 Å²	26	87.3 Å²	87.3	16%	0.16	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.6	178.7	-59.1	0	0	0	0	112.3	L91 G145 Q147 L153	L91-T149 PolarHBondContact O-OG1 3.01Å; G145-T149 PolarHBondContact O-OG1 3.15Å; Q147-T149 PolarHBondContact O-N 3.44Å; Q147-T149 VanDerWaalsContact O-N 3.1Å; T149-L153 HydrophobicContact CG2-CD1 4.41Å
150	D	61.7	Low	68.9	Low	66 Å²	66	90.5 Å²	90.5	35%	0.353	47%	0.466	S	S	.	.	H	α-helix	trans	-67.4	-39.9	176.1	-85.5	-32.5	0	0	0	113.9	K93 Q147 A148 K152	K93-D150 WeakPolarHBondContact CD-OD1 3.39Å; K93-D150 WeakPolarHBondContact CD-OD2 3.47Å; K93-D150 VanDerWaalsContact CE-OD1 3.23Å; K93-D150 WeakPolarHBondContact CE-OD1 3.36Å; K93-D150 WeakPolarHBondContact CE-OD2 3.43Å; K93-D150 VanDerWaalsContact CG-OD1 3.28Å; K93-D150 WeakPolarHBondContact CG-OD1 3.11Å; K93-D150 WeakPolarHBondContact CG-OD2 3.47Å; K93-D150 IonicContact NZ-OD1 2.7Å; K93-D150 PolarHBondContact NZ-OD1 3.34Å; K93-D150 IonicContact NZ-OD2 2.67Å; K93-D150 PolarHBondContact NZ-OD2 2.69Å; Q147-D150 WeakPolarHBondContact O-CB 3.43Å; Q147-D150 PolarHBondContact O-N 2.88Å; Q147-D150 VanDerWaalsContact O-N 3.15Å; A148-D150 PolarHBondContact O-N 3.28Å; D150-K152 PolarHBondContact O-N 2.95Å
151	E	58.5	Low	66.1	Low	144 Å²	144	91.4 Å²	91.4	67%	0.673	47%	0.473	S	S	*	.	H	α-helix	trans	-72.5	-19.2	-167.3	-61.7	-176.6	163.4	0	0	112.6	A148 S154	A148-E151 PolarHBondContact O-N 2.86Å; E151-S154 PolarHBondContact O-OG 2.79Å
152	K	58.2	Low	63.1	Low	90 Å²	90	95.8 Å²	95.8	39%	0.391	50%	0.504	S	S	.	.	H	α-helix	trans	-103.3	-13.8	-172.1	-67.2	-158.3	171.2	-154.3	0	115.2	S70 D150	S70-K152 WeakPolarHBondContact O-CD 3.25Å; S70-K152 PolarHBondContact O-NZ 2.85Å; D150-K152 PolarHBondContact O-N 2.95Å
153	L	50	Low	60.1	Low	140 Å²	140	101.3 Å²	101.3	73%	0.733	54%	0.538	S	S	*	.	H	α-helix	trans	-85.4	-20.5	174.4	-80.3	156.2	0	0	0	112.4	T149	T149-L153 HydrophobicContact CG2-CD1 4.41Å
154	S	42.1	Very low	57.2	Low	83 Å²	83	108.6 Å²	108.6	58%	0.58	56%	0.564	S	S	*	*	S	Bend	trans	-71	-28.7	175	52	0	0	0	0	113.6	E151	E151-S154 PolarHBondContact O-OG 2.79Å
155	D	47	Very low	54.6	Low	136 Å²	136	108.9 Å²	108.9	73%	0.727	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-7.9	-170.9	-73	-6.9	0	0	0	114.7
156	N	40.3	Very low	51.9	Low	142 Å²	142	116.2 Å²	116.2	76%	0.759	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	25.7	-173.8	-95.3	-19.7	0	0	0	114.5	P158	N156-P158 WeakPolarHBondContact O-CD 3.49Å
157	R	33.8	Very low	49.4	Very low	224 Å²	224	125.6 Å²	125.6	85%	0.845	66%	0.656	S	S	*	*			trans	-80.6	109.5	170.9	-163.3	177.5	-140.8	-178.2	5.6	109.4	S159	R157-S159 PolarHBondContact O-N 3.19Å
158	P	34.1	Very low	46.7	Very low	104 Å²	104	128.5 Å²	128.5	68%	0.675	67%	0.669	S	S	*	*			trans	-69.1	120.4	166	-1.1	20.2	0	0	0	106.1	N156 I160	N156-P158 WeakPolarHBondContact O-CD 3.49Å; P158-I160 VanDerWaalsContact C-N 3.28Å; P158-I160 PolarHBondContact O-N 3.24Å
159	S	34.5	Very low	44.4	Very low	108 Å²	108	135.1 Å²	135.1	76%	0.755	70%	0.701	S	S	*	*			trans	-61.6	92.3	165.3	44.8	0	0	0	0	108.4	R157 E161	R157-S159 PolarHBondContact O-N 3.19Å; S159-E161 VanDerWaalsContact C-N 3.27Å; S159-E161 PolarHBondContact O-N 2.77Å; S159-E161 VanDerWaalsContact O-N 3.09Å
160	I	43.9	Very low	42.7	Very low	155 Å²	155	142.7 Å²	142.7	80%	0.795	73%	0.731	S	S	*	*			trans	-76.1	91.9	161.7	-62.2	178.5	0	0	0	105.5	P158 S162	P158-I160 VanDerWaalsContact C-N 3.28Å; P158-I160 PolarHBondContact O-N 3.24Å; I160-S162 PolarHBondContact O-N 2.87Å
161	E	38.8	Very low	41.8	Very low	164 Å²	164	146.3 Å²	146.3	77%	0.766	76%	0.756	S	S	*	*			trans	-58.8	121.9	163.8	-79.9	-179.7	157.3	0	0	108.4	S159 T163	S159-E161 VanDerWaalsContact C-N 3.27Å; S159-E161 PolarHBondContact O-N 2.77Å; S159-E161 VanDerWaalsContact O-N 3.09Å; E161-T163 PolarHBondContact O-N 3.49Å
162	S	35.5	Very low	41	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	76%	0.762	S	S	*	*			trans	-75.2	98.3	171.3	36.9	0	0	0	0	108.3	I160	I160-S162 PolarHBondContact O-N 2.87Å
163	T	35.4	Very low	40.4	Very low	116 Å²	116	149.5 Å²	149.5	71%	0.712	78%	0.782	S	S	*	*			trans	-94.3	80	159	-38.5	0	0	0	0	107.8	E161 S165	E161-T163 PolarHBondContact O-N 3.49Å; T163-S165 PolarHBondContact O-N 3.01Å
164	Y	36.7	Very low	40.1	Very low	218 Å²	218	150.9 Å²	150.9	86%	0.855	79%	0.788	S	S	*	*			trans	-79.8	107	160.9	-100.1	-92.9	0	0	0	107.1
165	S	40.4	Very low	39.9	Very low	99 Å²	99	149.9 Å²	149.9	69%	0.692	79%	0.792	S	S	*	*			trans	-98.2	118.9	163.2	-68.8	0	0	0	0	108	T163 K167	T163-S165 PolarHBondContact O-N 3.01Å; S165-K167 PolarHBondContact O-N 3.25Å
166	D	38.9	Very low	39.5	Very low	154 Å²	154	150.3 Å²	150.3	82%	0.824	80%	0.799	S	S	*	*			trans	-56.1	122.7	176	-60.3	-53.2	0	0	0	111.4
167	K	44.5	Very low	39.5	Very low	205 Å²	205	150.8 Å²	150.8	89%	0.891	80%	0.801	S	S	*	*			trans	-143.2	107.9	149.8	-70.1	-163.8	179.2	176.8	0	109	S165	S165-K167 PolarHBondContact O-N 3.25Å
168	E	37.4	Very low	39.7	Very low	190 Å²	190	145.6 Å²	145.6	89%	0.888	80%	0.799	S	S	*	*			trans	-58.5	132.3	165.7	-64.5	176.6	139.9	0	0	109.8
169	D	42.1	Very low	39.7	Very low	167 Å²	167	147.3 Å²	147.3	89%	0.893	80%	0.802	S	S	*	*			trans	-152.7	131.7	141.3	-120.3	-23.8	0	0	0	110.3
170	K	42.3	Very low	39.8	Very low	185 Å²	185	147.6 Å²	147.6	80%	0.804	81%	0.805	S	S	*	*			trans	-78.3	142.2	-176.4	-68.9	169.6	175.2	168.3	0	110.1
171	T	43.2	Very low	39.5	Very low	142 Å²	142	146.8 Å²	146.8	87%	0.871	81%	0.807	S	S	*	*			trans	-169.9	149.4	136	33	0	0	0	0	110.7
172	D	42	Very low	39.4	Very low	148 Å²	148	149 Å²	149	79%	0.791	81%	0.814	S	S	*	*			trans	-90.1	158	-155.1	-53.4	-63.4	0	0	0	115.1
173	D	45	Very low	39.2	Very low	153 Å²	153	152.9 Å²	152.9	82%	0.818	82%	0.82	S	S	*	*			trans	46.4	115.5	144.9	-85.9	-25.1	0	0	0	120.9
174	I	44.5	Very low	39.1	Very low	168 Å²	168	153.6 Å²	153.6	86%	0.862	83%	0.828	S	S	*	*				178.2	126.7	111.6	-90.9	158	0	0	0	109.4
175	G	37.7	Very low	39	Very low	63 Å²	63	151.1 Å²	151.1	65%	0.649	83%	0.829	S	S	*	*			trans	-77.8	167.8	-170.7	0	0	0	0	0	116.4
176	T	39.6	Very low	38.6	Very low	145 Å²	145	153.8 Å²	153.8	89%	0.89	84%	0.835	S	S	*	*			trans	-164.1	121.5	131.4	-72.4	0	0	0	0	107.4	S178	T176-S178 PolarHBondContact O-N 3.27Å
177	L	38.4	Very low	38.5	Very low	152 Å²	152	154.2 Å²	154.2	80%	0.796	84%	0.836	S	S	*	*			trans	-69.1	115.4	-172.9	-73.7	141.3	0	0	0	111.6
178	S	38.2	Very low	38.2	Very low	115 Å²	115	150 Å²	150	80%	0.804	83%	0.827	S	S	*	*			trans	-98.3	88.6	161.3	158.6	0	0	0	0	108.3	T176	T176-S178 PolarHBondContact O-N 3.27Å
179	N	35.1	Very low	38	Very low	139 Å²	139	147.1 Å²	147.1	74%	0.743	82%	0.823	S	S	*	*			trans	-100.3	110.8	169.7	-78	-22	0	0	0	108.8
180	S	37.1	Very low	37.8	Very low	115 Å²	115	144.3 Å²	144.3	80%	0.804	81%	0.814	S	S	*	*	S	Bend	trans	-172.1	5.6	145.9	-145.5	0	0	0	0	116.7
181	V	36.9	Very low	37.4	Very low	138 Å²	138	142.9 Å²	142.9	84%	0.836	82%	0.815	S	S	*	*	S	Bend	trans	-117	24.5	-170	-149.8	0	0	0	0	114.5
182	K	35.7	Very low	37	Very low	211 Å²	211	141.8 Å²	141.8	92%	0.917	81%	0.809	S	S	*	*	S	Bend	trans	-126	17.7	-176.9	-79.5	-169.8	177.1	179.9	0	116.5
183	E	33	Very low	36.6	Very low	187 Å²	187	142 Å²	142	87%	0.874	81%	0.81	S	S	*	*	S	Bend	trans	-134.8	62.2	-173.1	-149.7	167	-145.8	0	0	112.5
184	C	33.3	Very low	36.1	Very low	132 Å²	132	140 Å²	140	89%	0.892	81%	0.807	S	S	*	*	S	Bend	trans	-148.4	2.6	165.3	-86.8	0	0	0	0	113.9
185	L	34	Very low	35.7	Very low	165 Å²	165	138.2 Å²	138.2	86%	0.864	81%	0.807	S	S	*	*	S	Bend	trans	-114.2	83.3	176.5	-70.9	166.4	0	0	0	107.7
186	N	31.5	Very low	35.8	Very low	155 Å²	155	140.7 Å²	140.7	83%	0.829	81%	0.809	S	S	*	*			trans	176	81.3	158.6	-86.8	-18.3	0	0	0	109.2
187	I	37.9	Very low	35.7	Very low	164 Å²	164	143.1 Å²	143.1	84%	0.841	80%	0.803	S	S	*	*			trans	-122.1	89.8	154.7	-58.2	179.5	0	0	0	106.7
188	T	38.2	Very low	35.9	Very low	115 Å²	115	139.3 Å²	139.3	71%	0.706	79%	0.789	S	S	*	*			trans	-44.7	132	153.7	-51.8	0	0	0	0	109.1	P190	T188-P190 VanDerWaalsContact O-CD 3.32Å; T188-P190 WeakPolarHBondContact O-CD 3.15Å
189	T	32.4	Very low	36.2	Very low	131 Å²	131	135.7 Å²	135.7	80%	0.804	76%	0.763	S	S	*	*			trans	-42.6	134.6	170.7	48.5	0	0	0	0	112.4
190	P	37.8	Very low	36.6	Very low	107 Å²	107	133.1 Å²	133.1	70%	0.695	76%	0.756	S	S	*	*			trans	-126.7	128.6	147.4	22.2	-2.3	0	0	0	111.5	T188	T188-P190 VanDerWaalsContact O-CD 3.32Å; T188-P190 WeakPolarHBondContact O-CD 3.15Å
191	D	34.6	Very low	37.2	Very low	156 Å²	156	129 Å²	129	83%	0.834	73%	0.725	S	S	*	*			trans	28.7	134.2	146.4	-76	-40.7	0	0	0	122.3
192	T	34.4	Very low	37.4	Very low	119 Å²	119	131.4 Å²	131.4	73%	0.73	72%	0.724	S	S	*	*	S	Bend	trans	-42.8	149	162	51.7	0	0	0	0	114.5
193	N	32.3	Very low	37.6	Very low	153 Å²	153	126.3 Å²	126.3	82%	0.818	71%	0.71	S	S	*	*			trans	87.9	81.5	171	-62.3	-22.7	0	0	0	116.7
194	S	35.9	Very low	37.8	Very low	109 Å²	109	125 Å²	125	76%	0.762	71%	0.71	S	S	*	*			trans	-141.3	129.6	141.7	-78.7	0	0	0	0	109.5	V196	S194-V196 PolarHBondContact O-N 3.15Å
195	P	35.8	Very low	38	Very low	132 Å²	132	127.1 Å²	127.1	86%	0.857	74%	0.737	S	S	*	*			trans	-75.2	109.6	-177.4	29.9	-30.2	0	0	0	108.9	Y197	P195-Y197 PolarHBondContact O-N 3.12Å
196	V	40.3	Very low	38.2	Very low	114 Å²	114	125.3 Å²	125.3	69%	0.691	73%	0.73	S	S	*	*			trans	-72.8	120.7	169.6	-177.4	0	0	0	0	107.5	S194 C198	S194-V196 PolarHBondContact O-N 3.15Å; V196-C198 PolarHBondContact O-N 2.92Å
197	Y	37.9	Very low	38.6	Very low	197 Å²	197	123.7 Å²	123.7	77%	0.773	73%	0.725	S	S	*	*			trans	-51	107.9	178.6	-163.4	-100.5	0	0	0	110.6	P195 S199	P195-Y197 PolarHBondContact O-N 3.12Å; Y197-S199 PolarHBondContact O-N 3.12Å
198	C	40.8	Very low	38.6	Very low	72 Å²	72	121.4 Å²	121.4	49%	0.486	72%	0.719	S	S	.	*			trans	-82.9	86.1	176.4	-179.9	0	0	0	0	108.8	V196 S200	V196-C198 PolarHBondContact O-N 2.92Å; C198-S200 PolarHBondContact O-N 3.18Å
199	S	46.4	Very low	38.7	Very low	39 Å²	39	121.8 Å²	121.8	27%	0.273	72%	0.72	S	S	.	*			trans	-77.4	114.5	163.6	53.5	0	0	0	0	108.6	Y197 I201	Y197-S199 PolarHBondContact O-N 3.12Å; S199-I201 PolarHBondContact O-N 3.27Å
200	S	41.5	Very low	39	Very low	85 Å²	85	121.3 Å²	121.3	59%	0.594	71%	0.714	S	S	*	*			trans	-54	132	-179.2	-54.8	0	0	0	0	111.6	C198 K202	C198-S200 PolarHBondContact O-N 3.18Å; S200-K202 PolarHBondContact O-N 3.45Å
201	I	49.8	Very low	39.1	Very low	27 Å²	27	122.2 Å²	122.2	14%	0.138	72%	0.716	C	S	.	*			trans	-65.2	104.4	162.8	-61.9	173.2	0	0	0	105.9	F43 W54 S199 T203	F43-I201 HydrophobicContact CD2-CD1 4.18Å; F43-I201 HydrophobicContact CE1-CG2 3.99Å; F43-I201 HydrophobicContact CE2-CD1 4.33Å; F43-I201 HydrophobicContact CG-CD1 4.4Å; F43-I201 HydrophobicContact CZ-CG2 3.94Å; W54-I201 HydrophobicContact CB-CG1 4.49Å; W54-I201 HydrophobicContact CG-CG1 4.24Å; S199-I201 PolarHBondContact O-N 3.27Å; I201-T203 PolarHBondContact O-N 3.46Å; I201-T203 VanDerWaalsContact O-N 3.15Å
202	K	41.9	Very low	39.5	Very low	190 Å²	190	119.8 Å²	119.8	83%	0.826	71%	0.707	S	S	*	*			trans	-57.9	120.1	173.8	-71.5	-178.4	-179	173.9	0	108.4	S200	S200-K202 PolarHBondContact O-N 3.45Å
203	T	40	Very low	39.8	Very low	103 Å²	103	119.8 Å²	119.8	63%	0.632	71%	0.705	S	S	*	*			trans	-97.1	105.1	170	50.6	0	0	0	0	106.3	I201	I201-T203 PolarHBondContact O-N 3.46Å; I201-T203 VanDerWaalsContact O-N 3.15Å
204	D	38	Very low	40.5	Very low	160 Å²	160	117.1 Å²	117.1	86%	0.856	70%	0.696	S	S	*	*			trans	-74.4	137.6	160.6	-72.6	-34.7	0	0	0	108.3
205	A	37.3	Very low	40.9	Very low	177 Å²	177	117.8 Å²	117.8	100%	1.463	69%	0.69	S	S	*	*			trans	-67.1	0	-175.1	0	0	0	0	0	113.2

Retrieved 205 of 205 residues in 365.6 ms (Link to these results)

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