A0A077Z837_TRITR Loading...

Palmitoyl-protein thioesterase 1

AlphaFold DB , UniProt , Accession A0A077Z837, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 312 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	43.5	Very low	45.8	Very low	232 Å²	232	144.4 Å²	144.4	100%	1.143	84%	0.841	S	S	*	*				0	91.2	0	-69.9	172.7	-162.7	0	0	105.2
2	L	40.5	Very low	46	Very low	161 Å²	161	148.3 Å²	148.3	84%	0.843	85%	0.85	S	S	*	*				58	118.7	97	-66.9	165.7	0	0	0	109.4
3	D	44	Very low	46.4	Very low	143 Å²	143	144.4 Å²	144.4	77%	0.765	85%	0.846	S	S	*	*			cis	-161.6	150.9	28.5	-147	-14.8	0	0	0	110.9
4	H	45.4	Very low	46.9	Very low	185 Å²	185	148.2 Å²	148.2	86%	0.856	85%	0.847	S	S	*	*			trans	-90.7	128.8	176.4	-89.9	-79.8	0	0	0	109.6
5	T	51.6	Low	47.7	Very low	136 Å²	136	146.8 Å²	146.8	83%	0.834	84%	0.842	S	S	*	*			trans	-136.9	106.9	160.6	46.8	0	0	0	0	109.5
6	S	43.4	Very low	48.1	Very low	121 Å²	121	146.6 Å²	146.6	85%	0.846	84%	0.836	S	S	*	*			trans	-88.8	135.7	165.6	68.8	0	0	0	0	109.4
7	V	52.3	Low	48.6	Very low	137 Å²	137	143.4 Å²	143.4	83%	0.83	83%	0.825	S	S	*	*			trans	-124.5	120.9	167.3	175.3	0	0	0	0	106.3
8	G	43.1	Very low	49.2	Very low	63 Å²	63	145.6 Å²	145.6	65%	0.649	82%	0.823	S	S	*	*			trans	-71.8	154.3	-177.6	0	0	0	0	0	113.4
9	L	46.9	Very low	50	Low	172 Å²	172	145.1 Å²	145.1	90%	0.901	81%	0.813	S	S	*	*			trans	-120.5	116.7	154.6	-112.4	91.3	0	0	0	108.4
10	L	49.9	Very low	50.8	Low	172 Å²	172	143.8 Å²	143.8	90%	0.901	81%	0.809	S	S	*	*			trans	-53.9	144.5	152.8	-64.9	94.9	0	0	0	107.7
11	G	43.3	Very low	51.5	Low	66 Å²	66	146.1 Å²	146.1	68%	0.68	81%	0.806	S	S	*	*			cis	146.7	173.9	37.2	0	0	0	0	0	106.7
12	M	48.1	Very low	52.5	Low	192 Å²	192	140.5 Å²	140.5	95%	0.946	79%	0.785	S	S	*	*			trans	110.6	65.4	177.4	-58.7	-92.3	164.8	0	0	113.8	K14	M12-K14 PolarHBondContact O-N 3.36Å
13	A	51.6	Low	53.7	Low	97 Å²	97	140.5 Å²	140.5	80%	0.802	79%	0.785	S	S	*	*			trans	-73.4	109.1	155.3	0	0	0	0	0	108.5	V15	A13-V15 PolarHBondContact O-N 3.12Å; A13-V15 VanDerWaalsContact O-N 3.12Å
14	K	53.7	Low	54.6	Low	198 Å²	198	140.5 Å²	140.5	86%	0.861	78%	0.784	S	S	*	*			trans	-67.4	103.1	169.6	-77.6	179.7	175.3	178.6	0	108.8	M12 L16	M12-K14 PolarHBondContact O-N 3.36Å; K14-L16 PolarHBondContact O-N 3.22Å
15	V	57.7	Low	55.4	Low	127 Å²	127	135.8 Å²	135.8	77%	0.77	77%	0.77	S	S	*	*			trans	-72.9	104.6	166.5	178.7	0	0	0	0	107.5	A13 S17	A13-V15 PolarHBondContact O-N 3.12Å; A13-V15 VanDerWaalsContact O-N 3.12Å; V15-S17 PolarHBondContact O-N 3.35Å
16	L	55.5	Low	56.1	Low	144 Å²	144	137.7 Å²	137.7	75%	0.754	77%	0.771	S	S	*	*			trans	-75.5	94.2	169.4	-83.8	148.3	0	0	0	108.4	K14 F18	K14-L16 PolarHBondContact O-N 3.22Å; L16-F18 PolarHBondContact O-N 3.1Å
17	S	56.6	Low	56.9	Low	91 Å²	91	140.2 Å²	140.2	64%	0.636	77%	0.767	S	S	*	*			trans	-69.5	92.8	168.2	-81.3	0	0	0	0	110.2	V15 H19	V15-S17 PolarHBondContact O-N 3.35Å; S17-H19 PolarHBondContact O-N 3.03Å; S17-H19 VanDerWaalsContact O-N 3.1Å; S17-H19 PolarHBondContact O-ND1 3.19Å
18	F	58.8	Low	57.3	Low	183 Å²	183	140.9 Å²	140.9	80%	0.803	77%	0.766	S	S	*	*			trans	-66.1	104.1	163.6	-94.9	-93.5	0	0	0	109.1	L16 V20	L16-F18 PolarHBondContact O-N 3.1Å; F18-V20 PolarHBondContact O-N 3.19Å
19	H	64.2	Low	57.8	Low	136 Å²	136	143.1 Å²	143.1	63%	0.63	77%	0.767	S	S	*	*			trans	-74.5	101.2	165.2	-73.4	44.4	0	0	0	107.5	S17 Y21	S17-H19 PolarHBondContact O-N 3.03Å; S17-H19 VanDerWaalsContact O-N 3.1Å; S17-H19 PolarHBondContact O-ND1 3.19Å; H19-Y21 HydrophobicContact CB-CD2 4.34Å; H19-Y21 HydrophobicContact CB-CE2 3.98Å; H19-Y21 PolarHBondContact O-N 3.06Å; H19-Y21 VanDerWaalsContact O-N 3.08Å
20	V	65.7	Low	58.4	Low	119 Å²	119	140.8 Å²	140.8	72%	0.721	76%	0.764	S	S	*	*			trans	-72.4	96.7	167.1	178.9	0	0	0	0	106.8	F18 V22	F18-V20 PolarHBondContact O-N 3.19Å; V20-V22 HydrophobicContact CG1-CG2 4.11Å; V20-V22 PolarHBondContact O-N 3.08Å
21	Y	65.7	Low	59.1	Low	193 Å²	193	138.3 Å²	138.3	76%	0.757	76%	0.755	S	S	*	*			trans	-69.9	98.7	165.4	-72.8	-83.1	0	0	0	107.8	H19 L23	H19-Y21 HydrophobicContact CB-CD2 4.34Å; H19-Y21 HydrophobicContact CB-CE2 3.98Å; H19-Y21 PolarHBondContact O-N 3.06Å; H19-Y21 VanDerWaalsContact O-N 3.08Å; Y21-L23 VanDerWaalsContact C-N 3.3Å; Y21-L23 PolarHBondContact O-N 2.96Å
22	V	65.5	Low	60.7	Low	115 Å²	115	139.1 Å²	139.1	70%	0.697	76%	0.755	S	S	*	*			trans	-69.2	94.2	166.1	-179.9	0	0	0	0	106.8	V20 L24	V20-V22 HydrophobicContact CG1-CG2 4.11Å; V20-V22 PolarHBondContact O-N 3.08Å; V22-L24 VanDerWaalsContact C-N 3.28Å; V22-L24 HydrophobicContact CG1-CD1 4.47Å; V22-L24 PolarHBondContact O-N 2.98Å
23	L	64.2	Low	62.6	Low	160 Å²	160	136.9 Å²	136.9	84%	0.838	75%	0.747	S	S	*	*			trans	-66.6	92.6	164.4	-81.5	160.6	0	0	0	107.2	Y21	Y21-L23 VanDerWaalsContact C-N 3.3Å; Y21-L23 PolarHBondContact O-N 2.96Å
24	L	64.6	Low	64.7	Low	144 Å²	144	134.2 Å²	134.2	75%	0.754	72%	0.722	S	S	*	*			trans	-60.6	123.4	167.7	-144.1	84.9	0	0	0	106.8	V22 M26	V22-L24 VanDerWaalsContact C-N 3.28Å; V22-L24 HydrophobicContact CG1-CD1 4.47Å; V22-L24 PolarHBondContact O-N 2.98Å; L24-M26 PolarHBondContact O-N 2.79Å
25	P	61.8	Low	66.8	Low	86 Å²	86	126.2 Å²	126.2	56%	0.558	69%	0.689	S	S	*	*			trans	-62	112.2	173.8	25.2	-30.6	0	0	0	106.9	F27	P25-F27 HydrophobicContact CB-CE2 4.33Å; P25-F27 HydrophobicContact CG-CD2 4.32Å; P25-F27 HydrophobicContact CG-CE2 3.83Å; P25-F27 HydrophobicContact CG-CZ 4.45Å; P25-F27 PolarHBondContact O-N 2.84Å
26	M	65.1	Low	68.7	Low	176 Å²	176	120.7 Å²	120.7	87%	0.867	66%	0.656	S	S	*	*			trans	-66.1	92.5	167.6	-152.8	179.6	-155.8	0	0	104.9	L24 L28	L24-M26 PolarHBondContact O-N 2.79Å; M26-L28 PolarHBondContact O-N 2.94Å
27	F	61.6	Low	70.8	Confident	173 Å²	173	113.9 Å²	113.9	76%	0.759	62%	0.621	S	S	*	*			trans	-62.3	93.8	168.1	-77.5	-82.7	0	0	0	105.9	P25 T29	P25-F27 HydrophobicContact CB-CE2 4.33Å; P25-F27 HydrophobicContact CG-CD2 4.32Å; P25-F27 HydrophobicContact CG-CE2 3.83Å; P25-F27 HydrophobicContact CG-CZ 4.45Å; P25-F27 PolarHBondContact O-N 2.84Å; F27-T29 PolarHBondContact O-N 2.97Å
28	L	58.9	Low	72.8	Confident	152 Å²	152	109.5 Å²	109.5	80%	0.796	59%	0.59	S	S	*	*			trans	-66.5	83.2	162.5	-150.4	83.5	0	0	0	105	M26 C30	M26-L28 PolarHBondContact O-N 2.94Å; L28-C30 VanDerWaalsContact C-N 3.29Å; L28-C30 PolarHBondContact O-N 2.67Å
29	T	54.8	Low	74.7	Confident	110 Å²	110	100.8 Å²	100.8	68%	0.675	55%	0.552	S	S	*	*			trans	-59.7	102.7	165.7	48.9	0	0	0	0	105.3	F27 V31	F27-T29 PolarHBondContact O-N 2.97Å; T29-V31 PolarHBondContact O-N 3.35Å
30	C	59	Low	76.4	Confident	123 Å²	123	94.5 Å²	94.5	83%	0.831	52%	0.523	S	S	*	.			trans	-65.7	89	168.6	-163.8	0	0	0	0	105.6	L28 A32	L28-C30 VanDerWaalsContact C-N 3.29Å; L28-C30 PolarHBondContact O-N 2.67Å; C30-A32 PolarHBondContact O-N 2.86Å; C30-A32 VanDerWaalsContact O-N 3.1Å
31	V	65.2	Low	77.9	Confident	119 Å²	119	88.9 Å²	88.9	72%	0.721	49%	0.489	S	S	*	.			trans	-63.9	112.3	170.4	-179.3	0	0	0	0	104.4	T29 D33	T29-V31 PolarHBondContact O-N 3.35Å; V31-D33 PolarHBondContact O-N 3.13Å
32	A	76.7	Confident	79.4	Confident	83 Å²	83	80 Å²	80	69%	0.686	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-58.4	133.5	176.9	0	0	0	0	0	108.5	C30	C30-A32 PolarHBondContact O-N 2.86Å; C30-A32 VanDerWaalsContact O-N 3.1Å
33	D	88.3	Confident	80.8	Confident	145 Å²	145	77.8 Å²	77.8	78%	0.775	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-54.4	138	176.9	-62.4	-41.1	0	0	0	109.9	V31	V31-D33 PolarHBondContact O-N 3.13Å
34	P	95.6	Very high	82	Confident	42 Å²	42	71.4 Å²	71.4	27%	0.273	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-56.3	144.5	178.5	-23.6	32.4	0	0	0	111.9	I64 V67	P34-I64 HydrophobicContact CB-CG2 3.7Å; P34-I64 HydrophobicContact CG-CG2 3.92Å; P34-V67 HydrophobicContact CB-CB 4.01Å; P34-V67 HydrophobicContact CB-CG2 4.19Å
35	T	97.5	Very high	83.5	Confident	29 Å²	29	65.4 Å²	65.4	18%	0.178	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-62.2	127.7	175.9	-64	0	0	0	0	109.3	H112 R136	T35-H112 WeakPolarHBondContact CB-NE2 3.34Å; T35-H112 WeakPolarHBondContact CG2-NE2 3.48Å; T35-R136 PolarHBondContact OG1-NH1 2.97Å
36	P	98.3	Very high	85.1	Confident	12 Å²	12	62 Å²	62	8%	0.078	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-66.7	156.7	-178	29.9	-38.7	0	0	0	112.2	Y68 F107 G110 Y111 H112	P36-Y68 CarbonylContact C-O 3.56Å; P36-Y68 VanDerWaalsContact CA-O 3.24Å; P36-Y68 WeakPolarHBondContact CA-O 3.18Å; P36-Y68 HydrophobicContact CB-CD1 4.08Å; P36-Y68 WeakPolarHBondContact CB-O 3.16Å; P36-F107 HydrophobicContact CB-CD1 3.9Å; P36-F107 HydrophobicContact CB-CE1 3.78Å; P36-F107 HydrophobicContact CG-CD1 3.52Å; P36-F107 HydrophobicContact CG-CE1 3.96Å; P36-G110 WeakPolarHBondContact CD-O 3.45Å; P36-Y111 CarbonylContact O-C 3.53Å; P36-Y111 VanDerWaalsContact O-CA 3.31Å; P36-Y111 WeakPolarHBondContact O-CA 3.32Å; P36-Y111 WeakPolarHBondContact O-CB 3.39Å; P36-H112 PolarHBondContact O-N 3.35Å
37	V	98.8	Very high	86.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.1	-178.4	-174.2	0	0	0	0	110.3	M39 I60 V67 Y68 V69 L70 H112 I114 I310	V37-M39 HydrophobicContact CG1-CG 4.3Å; V37-I60 HydrophobicContact CG1-CD1 4.32Å; V37-I60 HydrophobicContact CG2-CG2 4.23Å; V37-V67 HydrophobicContact CG2-CG2 4.04Å; V37-Y68 PolarHBondContact N-O 2.99Å; V37-V69 HydrophobicContact CB-CG1 4.27Å; V37-V69 HydrophobicContact CB-CG2 4.27Å; V37-V69 CarbonylContact O-C 3.6Å; V37-V69 WeakPolarHBondContact O-CA 3.45Å; V37-L70 PolarHBondContact O-N 3.46Å; V37-H112 CarbonylContact C-O 3.59Å; V37-H112 WeakPolarHBondContact CA-O 3.43Å; V37-H112 HydrophobicContact CG2-CB 4.42Å; V37-I114 HydrophobicContact CG1-CD1 4.04Å; V37-I114 HydrophobicContact CG1-CG1 4.12Å; V37-I310 HydrophobicContact CG2-CG2 3.49Å; V37-I310 VanDerWaalsContact CG2-CG2 3.49Å
38	V	98.9	Very high	88.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.7	171.9	179.8	0	0	0	0	108.7	L70 L72 L101 F107 Y111 H112 A113 I114 L123	V38-L70 CarbonylContact C-O 3.54Å; V38-L70 WeakPolarHBondContact CA-O 3.19Å; V38-L72 HydrophobicContact CG1-CD1 3.72Å; V38-L72 HydrophobicContact CG1-CD2 4.16Å; V38-L72 HydrophobicContact CG1-CG 3.81Å; V38-L101 HydrophobicContact CG1-CD2 4.42Å; V38-L101 HydrophobicContact CG2-CD2 3.62Å; V38-F107 HydrophobicContact CG2-CD1 4.31Å; V38-F107 HydrophobicContact CG2-CE1 3.61Å; V38-F107 HydrophobicContact CG2-CZ 3.9Å; V38-Y111 HydrophobicContact CB-CD2 3.93Å; V38-Y111 HydrophobicContact CB-CE2 4.2Å; V38-Y111 HydrophobicContact CG2-CD2 3.46Å; V38-Y111 VanDerWaalsContact CG2-CD2 3.46Å; V38-Y111 HydrophobicContact CG2-CE2 3.95Å; V38-Y111 HydrophobicContact CG2-CG 4.11Å; V38-H112 PolarHBondContact N-O 2.82Å; V38-A113 CarbonylContact O-C 3.59Å; V38-A113 VanDerWaalsContact O-CA 3.25Å; V38-A113 WeakPolarHBondContact O-CA 3.37Å; V38-I114 PolarHBondContact O-N 3.41Å; V38-L123 HydrophobicContact CG1-CD2 4.28Å
39	M	98.9	Very high	89.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.7	177	-60.9	175.5	68.9	0	0	111	V37 M53 L56 K57 I60 V69 L70 L72 I114	V37-M39 HydrophobicContact CG1-CG 4.3Å; M39-M53 HydrophobicContact CB-CE 3.58Å; M39-M53 HydrophobicContact CE-CE 3.61Å; M39-M53 HydrophobicContact CE-SD 4.29Å; M39-L56 HydrophobicContact CE-CB 3.54Å; M39-L56 HydrophobicContact CE-CD1 4.08Å; M39-L56 HydrophobicContact CE-CG 4.47Å; M39-K57 HydrophobicContact SD-CB 4.11Å; M39-I60 HydrophobicContact SD-CD1 4.01Å; M39-V69 HydrophobicContact CG-CG1 4.07Å; M39-V69 HydrophobicContact SD-CG1 3.64Å; M39-L70 PolarHBondContact N-O 2.95Å; M39-L72 WeakPolarHBondContact O-CB 3.36Å; M39-L72 WeakPolarHBondContact O-CG 3.45Å; M39-L72 PolarHBondContact O-N 3.38Å; M39-I114 VanDerWaalsContact CA-O 3.29Å; M39-I114 WeakPolarHBondContact CA-O 3.4Å; M39-I114 HydrophobicContact CG-CB 4.37Å
40	W	98.8	Very high	91.7	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.011	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	117.2	173.9	-159.2	-34.5	0	0	0	109.8	L72 F74 Q93 V94 V97 I114 I116 F122 L123 V126	W40-L72 HydrophobicContact CB-CD1 4.11Å; W40-L72 HydrophobicContact CD2-CD1 3.81Å; W40-L72 HydrophobicContact CE3-CD1 3.54Å; W40-L72 HydrophobicContact CG-CD1 4.07Å; W40-L72 HydrophobicContact CZ3-CD1 4.26Å; W40-F74 AromaticContact CD1-CE2 3.79Å; W40-F74 HydrophobicContact CD2-CE2 4.2Å; W40-F74 AromaticContact CD2-CZ 3.86Å; W40-F74 HydrophobicContact CD2-CZ 3.86Å; W40-F74 AromaticContact CE2-CE2 3.5Å; W40-F74 AromaticContact CE2-CZ 3.16Å; W40-F74 HydrophobicContact CE3-CZ 4.38Å; W40-F74 HydrophobicContact CG-CE2 4.38Å; W40-F74 HydrophobicContact CG-CZ 4.48Å; W40-F74 HydrophobicContact CH2-CE1 4.07Å; W40-F74 AromaticContact CH2-CZ 3.79Å; W40-F74 HydrophobicContact CH2-CZ 3.79Å; W40-F74 AromaticContact CZ2-CE1 3.59Å; W40-F74 HydrophobicContact CZ2-CE1 3.59Å; W40-F74 AromaticContact CZ2-CE2 3.89Å; W40-F74 HydrophobicContact CZ2-CE2 3.89Å; W40-F74 AromaticContact CZ2-CZ 3.14Å; W40-F74 HydrophobicContact CZ2-CZ 3.14Å; W40-F74 HydrophobicContact CZ3-CZ 4.36Å; W40-F74 AromaticContact NE1-CE2 3.17Å; W40-F74 AromaticContact NE1-CZ 3.41Å; W40-Q93 HydrophobicContact CH2-CB 4.2Å; W40-Q93 HydrophobicContact CZ2-CB 4.06Å; W40-V94 HydrophobicContact CH2-CG2 4.01Å; W40-V94 HydrophobicContact CZ3-CG2 4.43Å; W40-V97 HydrophobicContact CE3-CG2 4.3Å; W40-V97 HydrophobicContact CH2-CB 4.46Å; W40-V97 HydrophobicContact CH2-CG2 3.78Å; W40-V97 HydrophobicContact CZ3-CB 4.08Å; W40-V97 HydrophobicContact CZ3-CG1 4.18Å; W40-V97 HydrophobicContact CZ3-CG2 3.66Å; W40-I114 PolarHBondContact N-O 2.9Å; W40-I116 PolarHBondContact O-N 2.95Å; W40-F122 HydrophobicContact CD2-CB 3.95Å; W40-F122 HydrophobicContact CD2-CD2 4.42Å; W40-F122 AromaticContact CE2-CD2 3.65Å; W40-F122 HydrophobicContact CE3-CB 3.93Å; W40-F122 HydrophobicContact CH2-CB 3.78Å; W40-F122 HydrophobicContact CH2-CD2 4.46Å; W40-F122 HydrophobicContact CH2-CG 4.5Å; W40-F122 HydrophobicContact CZ2-CB 3.79Å; W40-F122 AromaticContact CZ2-CD2 3.68Å; W40-F122 HydrophobicContact CZ2-CD2 3.68Å; W40-F122 HydrophobicContact CZ2-CG 4.13Å; W40-F122 HydrophobicContact CZ3-CB 3.84Å; W40-F122 AromaticContact NE1-CD2 3.73Å; W40-L123 HydrophobicContact CB-CD1 3.63Å; W40-L123 HydrophobicContact CB-CD2 4.42Å; W40-L123 HydrophobicContact CB-CG 3.79Å; W40-L123 HydrophobicContact CD2-CG 4.45Å; W40-L123 HydrophobicContact CE3-CD2 3.83Å; W40-L123 HydrophobicContact CE3-CG 3.82Å; W40-V126 HydrophobicContact CE3-CG2 4.47Å; W40-V126 HydrophobicContact CZ3-CG2 3.74Å
41	H	98.3	Very high	93.4	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	28%	0.282	C	S	.	.			trans	-71.6	167.4	-178	66.6	84	0	0	0	113.5	D45 M53 F74 D81 I116	H41-D45 HydrophobicContact CB-CB 4.32Å; H41-D45 PolarHBondContact CE1-O 2.76Å; H41-D45 PolarHBondContact ND1-O 2.97Å; H41-M53 HydrophobicContact CB-CE 3.89Å; H41-M53 HydrophobicContact CB-CG 3.65Å; H41-M53 HydrophobicContact CB-SD 3.6Å; H41-F74 AromaticContact NE2-CD2 3.89Å; H41-D81 IonicContact CE1-OD1 2.93Å; H41-D81 IonicContact NE2-OD1 2.58Å; H41-D81 PolarHBondContact NE2-OD1 3.42Å; H41-D81 VanDerWaalsContact NE2-OD1 3.1Å; H41-D81 IonicContact NE2-OD2 3.98Å; H41-I116 CarbonylContact C-O 3.54Å
42	G	96.9	Very high	94.8	Very high	6 Å²	6	45 Å²	45	6%	0.062	26%	0.258	C	S	.	.			trans	-87.1	-176.8	177.2	0	0	0	0	0	114	D45 I116	G42-D45 PolarHBondContact O-N 2.99Å; G42-I116 WeakPolarHBondContact CA-O 3.29Å; G42-I116 PolarHBondContact N-O 2.81Å
43	M	94	Very high	95.8	Very high	68 Å²	68	41 Å²	41	34%	0.335	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	133.3	172.8	-171	177	58.4	0	0	111.3	D45 Y86 Q177	M43-D45 VanDerWaalsContact C-N 3.27Å; M43-D45 PolarHBondContact O-N 2.89Å; M43-Y86 HydrophobicContact CG-CD1 3.79Å; M43-Y86 HydrophobicContact CG-CE1 3.31Å; M43-Y86 HydrophobicContact SD-CD1 3.95Å; M43-Y86 HydrophobicContact SD-CE1 3.55Å; M43-Y86 VanDerWaalsContact SD-CE1 3.55Å; M43-Q177 VanDerWaalsContact SD-CD 3.59Å; M43-Q177 HydrophobicContact SD-CG 3.68Å; M43-Q177 PolarHBondContact SD-NE2 3.06Å
44	G	90.9	Very high	96.2	Very high	26 Å²	26	36.5 Å²	36.5	27%	0.268	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	9.6	175.5	0	0	0	0	0	115.3	S85 Y86	G44-S85 PolarHBondContact N-OG 2.73Å; G44-Y86 VanDerWaalsContact CA-OH 3.25Å; G44-Y86 WeakPolarHBondContact CA-OH 3.34Å
45	D	94.3	Very high	96.3	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.102	20%	0.201	C	C	.	.			trans	-116.7	-177.7	173.9	-158.3	10.5	0	0	0	111	H41 G42 M43 N49 S52	H41-D45 HydrophobicContact CB-CB 4.32Å; H41-D45 PolarHBondContact CE1-O 2.76Å; H41-D45 PolarHBondContact ND1-O 2.97Å; G42-D45 PolarHBondContact O-N 2.99Å; M43-D45 VanDerWaalsContact C-N 3.27Å; M43-D45 PolarHBondContact O-N 2.89Å; D45-N49 WeakPolarHBondContact OD1-CB 3.44Å; D45-N49 PolarHBondContact OD1-ND2 2.99Å; D45-S52 WeakPolarHBondContact OD2-CB 3.37Å; D45-S52 PolarHBondContact OD2-OG 3.23Å
46	T	96	Very high	96.3	Very high	13 Å²	13	36 Å²	36	8%	0.08	20%	0.199	C	C	.	.			trans	-137	166.5	-179.7	62.7	0	0	0	0	110.3	C48 N49 M53 P78 D81 M82	T46-C48 PolarHBondContact O-N 3.14Å; T46-N49 PolarHBondContact OG1-N 2.93Å; T46-M53 WeakPolarHBondContact O-CG 3.43Å; T46-P78 HydrophobicContact CG2-CB 4.12Å; T46-P78 WeakPolarHBondContact CG2-O 3.17Å; T46-D81 WeakPolarHBondContact CA-OD2 3.49Å; T46-D81 HydrophobicContact CG2-CB 4.29Å; T46-M82 HydrophobicContact CG2-CB 4Å; T46-M82 HydrophobicContact CG2-CE 4.26Å
47	C	96.6	Very high	96.3	Very high	13 Å²	13	37.6 Å²	37.6	9%	0.088	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-31	175.1	68.2	0	0	0	0	114	M53 S71 L72 D81	C47-M53 WeakPolarHBondContact O-CB 3.5Å; C47-S71 WeakPolarHBondContact CA-OG 3.12Å; C47-S71 VanDerWaalsContact O-CB 3.26Å; C47-S71 WeakPolarHBondContact O-CB 3.37Å; C47-S71 PolarHBondContact O-OG 3.23Å; C47-L72 WeakPolarHBondContact CB-O 3.35Å; C47-D81 PolarHBondContact N-OD2 3.07Å
48	C	96	Very high	96.3	Very high	62 Å²	62	40.8 Å²	40.8	42%	0.419	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.1	19.3	-150.4	-54.3	0	0	0	0	112.9	T46 P50 N54	T46-C48 PolarHBondContact O-N 3.14Å; C48-P50 WeakPolarHBondContact O-CD 3.42Å; C48-N54 PolarHBondContact O-ND2 2.82Å
49	N	92.9	Very high	96.3	Very high	57 Å²	57	41.2 Å²	41.2	31%	0.305	23%	0.228	S	C	.	.			trans	-66.1	120.4	176.4	-179.7	-16.2	0	0	0	110.9	D45 T46 R51 S52 M53 N54	D45-N49 WeakPolarHBondContact OD1-CB 3.44Å; D45-N49 PolarHBondContact OD1-ND2 2.99Å; T46-N49 PolarHBondContact OG1-N 2.93Å; N49-R51 PolarHBondContact O-N 3.16Å; N49-R51 VanDerWaalsContact O-N 3.12Å; N49-R51 PolarHBondContact OD1-N 3.09Å; N49-R51 VanDerWaalsContact OD1-N 3.12Å; N49-S52 PolarHBondContact O-N 2.59Å; N49-S52 VanDerWaalsContact O-N 3.1Å; N49-M53 PolarHBondContact O-N 2.77Å; N49-N54 WeakPolarHBondContact O-CB 3.24Å; N49-N54 PolarHBondContact O-N 3.28Å; N49-N54 VanDerWaalsContact O-N 3.07Å
50	P	95	Very high	96.2	Very high	100 Å²	100	41.2 Å²	41.2	65%	0.649	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.7	-176.6	-28.4	36.1	0	0	0	115.3	C48	C48-P50 WeakPolarHBondContact O-CD 3.42Å
51	R	92.9	Very high	96.2	Very high	235 Å²	235	44.1 Å²	44.1	89%	0.887	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	0.1	-176.2	-64	-175.6	-176.2	162.6	1.5	113.8	N49	N49-R51 PolarHBondContact O-N 3.16Å; N49-R51 VanDerWaalsContact O-N 3.12Å; N49-R51 PolarHBondContact OD1-N 3.09Å; N49-R51 VanDerWaalsContact OD1-N 3.12Å
52	S	94.9	Very high	96.2	Very high	30 Å²	30	49.9 Å²	49.9	21%	0.21	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-103.2	-177.7	-178.6	0	0	0	0	109.4	D45 N49 N54 A55 L56	D45-S52 WeakPolarHBondContact OD2-CB 3.37Å; D45-S52 PolarHBondContact OD2-OG 3.23Å; N49-S52 PolarHBondContact O-N 2.59Å; N49-S52 VanDerWaalsContact O-N 3.1Å; S52-N54 VanDerWaalsContact C-N 3.33Å; S52-N54 PolarHBondContact O-N 3.26Å; S52-A55 WeakPolarHBondContact O-CB 3.3Å; S52-A55 PolarHBondContact O-N 2.87Å; S52-L56 PolarHBondContact O-N 3.48Å
53	M	97.9	Very high	96.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-55.6	-41.4	-175.6	-63.5	-58	-70.5	0	0	114.1	M39 H41 T46 C47 N49 A55 L56 K57 I116	M39-M53 HydrophobicContact CB-CE 3.58Å; M39-M53 HydrophobicContact CE-CE 3.61Å; M39-M53 HydrophobicContact CE-SD 4.29Å; H41-M53 HydrophobicContact CB-CE 3.89Å; H41-M53 HydrophobicContact CB-CG 3.65Å; H41-M53 HydrophobicContact CB-SD 3.6Å; T46-M53 WeakPolarHBondContact O-CG 3.43Å; C47-M53 WeakPolarHBondContact O-CB 3.5Å; N49-M53 PolarHBondContact O-N 2.77Å; M53-A55 VanDerWaalsContact C-N 3.35Å; M53-A55 PolarHBondContact O-N 3.38Å; M53-L56 PolarHBondContact O-N 2.87Å; M53-K57 WeakPolarHBondContact O-CB 3.36Å; M53-K57 PolarHBondContact O-N 3.16Å; M53-I116 HydrophobicContact CE-CG1 4.39Å; M53-I116 HydrophobicContact SD-CG1 3.8Å
54	N	97	Very high	96.4	Very high	50 Å²	50	50 Å²	50	27%	0.267	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-32.5	178.1	-87.5	-6.8	0	0	0	112.5	C48 N49 S52 K57 T58	C48-N54 PolarHBondContact O-ND2 2.82Å; N49-N54 WeakPolarHBondContact O-CB 3.24Å; N49-N54 PolarHBondContact O-N 3.28Å; N49-N54 VanDerWaalsContact O-N 3.07Å; S52-N54 VanDerWaalsContact C-N 3.33Å; S52-N54 PolarHBondContact O-N 3.26Å; N54-K57 PolarHBondContact O-N 3.3Å; N54-T58 WeakPolarHBondContact O-CB 3.38Å; N54-T58 PolarHBondContact O-N 2.65Å; N54-T58 PolarHBondContact O-OG1 3.28Å; N54-T58 VanDerWaalsContact O-OG1 3.04Å
55	A	97.7	Very high	96.6	Very high	33 Å²	33	53.9 Å²	53.9	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-42.5	176	0	0	0	0	0	111.1	S52 M53 A59 M298	S52-A55 WeakPolarHBondContact O-CB 3.3Å; S52-A55 PolarHBondContact O-N 2.87Å; M53-A55 VanDerWaalsContact C-N 3.35Å; M53-A55 PolarHBondContact O-N 3.38Å; A55-A59 WeakPolarHBondContact O-CB 3.39Å; A55-A59 PolarHBondContact O-N 3.28Å; A55-A59 VanDerWaalsContact O-N 3.07Å; A55-M298 HydrophobicContact CB-CE 4.38Å
56	L	98.1	Very high	96.6	Very high	26 Å²	26	56.5 Å²	56.5	14%	0.136	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-44.7	174.8	-62.3	179.9	0	0	0	111.7	M39 S52 M53 T58 A59 I60 I116 M298 F301	M39-L56 HydrophobicContact CE-CB 3.54Å; M39-L56 HydrophobicContact CE-CD1 4.08Å; M39-L56 HydrophobicContact CE-CG 4.47Å; S52-L56 PolarHBondContact O-N 3.48Å; M53-L56 PolarHBondContact O-N 2.87Å; L56-T58 PolarHBondContact O-N 3.26Å; L56-A59 PolarHBondContact O-N 3.13Å; L56-I60 WeakPolarHBondContact O-CG1 3.42Å; L56-I60 PolarHBondContact O-N 3.29Å; L56-I116 HydrophobicContact CD1-CD1 3.86Å; L56-I116 HydrophobicContact CD1-CG1 4.38Å; L56-M298 HydrophobicContact CD2-CE 4.3Å; L56-F301 HydrophobicContact CB-CE1 4.18Å; L56-F301 HydrophobicContact CB-CZ 4.08Å; L56-F301 HydrophobicContact CD2-CD1 3.84Å; L56-F301 HydrophobicContact CD2-CD2 4.02Å; L56-F301 HydrophobicContact CD2-CE1 3.86Å; L56-F301 HydrophobicContact CD2-CE2 4.07Å; L56-F301 HydrophobicContact CD2-CG 3.92Å; L56-F301 HydrophobicContact CD2-CZ 3.99Å; L56-F301 HydrophobicContact CG-CZ 4.49Å
57	K	98.5	Very high	96.7	Very high	46 Å²	46	56.4 Å²	56.4	20%	0.2	32%	0.322	C	S	.	.	H	α-helix	trans	-56.2	-50.2	175.9	176.6	175.7	-179.4	-63.4	0	111.5	M39 M53 N54 A59 I60 E61 V69	M39-K57 HydrophobicContact SD-CB 4.11Å; M53-K57 WeakPolarHBondContact O-CB 3.36Å; M53-K57 PolarHBondContact O-N 3.16Å; N54-K57 PolarHBondContact O-N 3.3Å; K57-A59 VanDerWaalsContact C-N 3.31Å; K57-A59 PolarHBondContact O-N 3.32Å; K57-I60 PolarHBondContact O-N 2.92Å; K57-E61 WeakPolarHBondContact CE-OE1 2.98Å; K57-E61 IonicContact NZ-OE1 2.59Å; K57-E61 PolarHBondContact NZ-OE1 3.03Å; K57-E61 IonicContact NZ-OE2 2.77Å; K57-E61 PolarHBondContact NZ-OE2 3.1Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 3.07Å; K57-V69 HydrophobicContact CB-CG1 4.34Å; K57-V69 HydrophobicContact CD-CB 4.37Å; K57-V69 HydrophobicContact CD-CG1 4.29Å; K57-V69 WeakPolarHBondContact CE-O 3.36Å; K57-V69 HydrophobicContact CG-CB 3.94Å; K57-V69 HydrophobicContact CG-CG1 3.81Å
58	T	98	Very high	96.8	Very high	67 Å²	67	59 Å²	59	41%	0.411	33%	0.331	S	S	.	.	H	α-helix	trans	-62.7	-37.8	178.4	-63.6	0	0	0	0	112	N54 L56 E61 N62	N54-T58 WeakPolarHBondContact O-CB 3.38Å; N54-T58 PolarHBondContact O-N 2.65Å; N54-T58 PolarHBondContact O-OG1 3.28Å; N54-T58 VanDerWaalsContact O-OG1 3.04Å; L56-T58 PolarHBondContact O-N 3.26Å; T58-E61 PolarHBondContact O-N 2.82Å; T58-N62 WeakPolarHBondContact O-CB 3.39Å; T58-N62 PolarHBondContact O-N 2.92Å; T58-N62 PolarHBondContact O-ND2 3.12Å
59	A	98	Very high	96.9	Very high	9 Å²	9	56.3 Å²	56.3	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-42	175	0	0	0	0	0	112.2	A55 L56 K57 N62 E63 M298 F301 I302	A55-A59 WeakPolarHBondContact O-CB 3.39Å; A55-A59 PolarHBondContact O-N 3.28Å; A55-A59 VanDerWaalsContact O-N 3.07Å; L56-A59 PolarHBondContact O-N 3.13Å; K57-A59 VanDerWaalsContact C-N 3.31Å; K57-A59 PolarHBondContact O-N 3.32Å; A59-N62 PolarHBondContact O-N 3.07Å; A59-E63 WeakPolarHBondContact O-CG 3.47Å; A59-E63 PolarHBondContact O-N 3.07Å; A59-E63 VanDerWaalsContact O-N 3.11Å; A59-M298 HydrophobicContact CB-CE 4.26Å; A59-M298 HydrophobicContact CB-SD 3.51Å; A59-M298 VanDerWaalsContact CB-SD 3.51Å; A59-F301 HydrophobicContact CB-CD1 4.27Å; A59-F301 HydrophobicContact CB-CE1 4.16Å; A59-I302 HydrophobicContact CB-CG1 4.49Å
60	I	98.5	Very high	97.2	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-47.8	174.9	-64.2	161.3	0	0	0	110.8	V37 M39 L56 K57 N62 E63 I64 V67 V69 I114 F301 V306	V37-I60 HydrophobicContact CG1-CD1 4.32Å; V37-I60 HydrophobicContact CG2-CG2 4.23Å; M39-I60 HydrophobicContact SD-CD1 4.01Å; L56-I60 WeakPolarHBondContact O-CG1 3.42Å; L56-I60 PolarHBondContact O-N 3.29Å; K57-I60 PolarHBondContact O-N 2.92Å; I60-N62 VanDerWaalsContact C-N 3.3Å; I60-N62 PolarHBondContact O-N 3.12Å; I60-E63 PolarHBondContact O-N 3.1Å; I60-I64 HydrophobicContact CG2-CD1 4.3Å; I60-I64 PolarHBondContact O-N 3Å; I60-V67 HydrophobicContact CG2-CG1 3.99Å; I60-V69 HydrophobicContact CB-CG2 4.3Å; I60-V69 HydrophobicContact CG2-CG2 3.78Å; I60-I114 HydrophobicContact CD1-CD1 3.79Å; I60-F301 HydrophobicContact CD1-CE1 4.5Å; I60-F301 HydrophobicContact CD1-CZ 4.04Å; I60-F301 HydrophobicContact CG1-CE1 3.97Å; I60-F301 HydrophobicContact CG1-CZ 3.93Å; I60-V306 HydrophobicContact CG1-CG2 3.99Å
61	E	98	Very high	97.3	Very high	65 Å²	65	51 Å²	51	30%	0.304	28%	0.28	S	S	.	.	H	α-helix	trans	-65.6	-31.9	-178.1	-70.5	174.8	143.7	0	0	113	K57 T58 V67 V69	K57-E61 WeakPolarHBondContact CE-OE1 2.98Å; K57-E61 IonicContact NZ-OE1 2.59Å; K57-E61 PolarHBondContact NZ-OE1 3.03Å; K57-E61 IonicContact NZ-OE2 2.77Å; K57-E61 PolarHBondContact NZ-OE2 3.1Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 3.07Å; T58-E61 PolarHBondContact O-N 2.82Å; E61-V67 HydrophobicContact CG-CG1 4.12Å; E61-V69 HydrophobicContact CG-CG2 3.88Å
62	N	97.5	Very high	97.6	Very high	122 Å²	122	40 Å²	40	65%	0.652	24%	0.239	S	C	*	.	H	α-helix	trans	-72.6	-37.7	174.6	-73.1	-18.2	0	0	0	112.4	T58 A59 I60	T58-N62 WeakPolarHBondContact O-CB 3.39Å; T58-N62 PolarHBondContact O-N 2.92Å; T58-N62 PolarHBondContact O-ND2 3.12Å; A59-N62 PolarHBondContact O-N 3.07Å; I60-N62 VanDerWaalsContact C-N 3.3Å; I60-N62 PolarHBondContact O-N 3.12Å
63	E	97.6	Very high	97.7	Very high	62 Å²	62	41.2 Å²	41.2	29%	0.29	25%	0.247	S	C	.	.	H	α-helix	trans	-78.1	-26.5	179.1	-70.5	-70.6	142.1	0	0	112.6	A59 I60 I302 V306 R307	A59-E63 WeakPolarHBondContact O-CG 3.47Å; A59-E63 PolarHBondContact O-N 3.07Å; A59-E63 VanDerWaalsContact O-N 3.11Å; I60-E63 PolarHBondContact O-N 3.1Å; E63-I302 VanDerWaalsContact CD-CG2 3.44Å; E63-I302 HydrophobicContact CG-CD1 4.48Å; E63-I302 HydrophobicContact CG-CG1 4.22Å; E63-I302 HydrophobicContact CG-CG2 3.84Å; E63-V306 HydrophobicContact CB-CG1 3.89Å; E63-V306 HydrophobicContact CG-CG1 4.39Å; E63-R307 IonicContact OE1-NH2 2.58Å; E63-R307 PolarHBondContact OE1-NH2 3.45Å; E63-R307 VanDerWaalsContact OE1-NH2 3.1Å; E63-R307 IonicContact OE2-CZ 3.73Å; E63-R307 VanDerWaalsContact OE2-CZ 3.29Å; E63-R307 IonicContact OE2-NE 2.71Å; E63-R307 PolarHBondContact OE2-NE 3.07Å; E63-R307 IonicContact OE2-NH2 3.49Å; E63-R307 PolarHBondContact OE2-NH2 3.04Å
64	I	97.3	Very high	97.6	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.077	25%	0.254	C	S	.	.	S	Bend	trans	-128.8	87.1	-175.9	-47	173	0	0	0	110	P34 I60 G66 V67 V306 I310 A311	P34-I64 HydrophobicContact CB-CG2 3.7Å; P34-I64 HydrophobicContact CG-CG2 3.92Å; I60-I64 HydrophobicContact CG2-CD1 4.3Å; I60-I64 PolarHBondContact O-N 3Å; I64-G66 PolarHBondContact O-N 3.48Å; I64-V67 HydrophobicContact CB-CB 4.01Å; I64-V67 HydrophobicContact CB-CG1 3.96Å; I64-V67 HydrophobicContact CG2-CB 3.84Å; I64-V67 HydrophobicContact CG2-CG1 4.36Å; I64-V67 HydrophobicContact CG2-CG2 4.45Å; I64-V67 WeakPolarHBondContact O-CB 3.21Å; I64-V67 WeakPolarHBondContact O-CG1 3.39Å; I64-V67 PolarHBondContact O-N 3.34Å; I64-V67 VanDerWaalsContact O-N 3.16Å; I64-V306 HydrophobicContact CD1-CG1 3.97Å; I64-V306 HydrophobicContact CG1-CG1 4.25Å; I64-I310 HydrophobicContact CD1-CB 4.07Å; I64-I310 HydrophobicContact CD1-CG2 3.55Å; I64-A311 HydrophobicContact CD1-CB 3.8Å; I64-A311 HydrophobicContact CG1-CB 3.81Å
65	P	95.5	Very high	97.3	Very high	107 Å²	107	41.8 Å²	41.8	70%	0.695	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	128	-179.8	-27.1	35.6	0	0	0	112.6
66	G	95.9	Very high	97.1	Very high	74 Å²	74	47.1 Å²	47.1	76%	0.763	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-0.5	177.7	0	0	0	0	0	115.4	I64	I64-G66 PolarHBondContact O-N 3.48Å
67	V	97.8	Very high	97	Very high	11 Å²	11	48.7 Å²	48.7	7%	0.067	29%	0.289	C	S	.	.			trans	-64.3	137.1	175.4	70.5	0	0	0	0	111.4	P34 V37 I60 E61 I64 V69	P34-V67 HydrophobicContact CB-CB 4.01Å; P34-V67 HydrophobicContact CB-CG2 4.19Å; V37-V67 HydrophobicContact CG2-CG2 4.04Å; I60-V67 HydrophobicContact CG2-CG1 3.99Å; E61-V67 HydrophobicContact CG-CG1 4.12Å; I64-V67 HydrophobicContact CB-CB 4.01Å; I64-V67 HydrophobicContact CB-CG1 3.96Å; I64-V67 HydrophobicContact CG2-CB 3.84Å; I64-V67 HydrophobicContact CG2-CG1 4.36Å; I64-V67 HydrophobicContact CG2-CG2 4.45Å; I64-V67 WeakPolarHBondContact O-CB 3.21Å; I64-V67 WeakPolarHBondContact O-CG1 3.39Å; I64-V67 PolarHBondContact O-N 3.34Å; I64-V67 VanDerWaalsContact O-N 3.16Å; V67-V69 HydrophobicContact CG1-CG2 3.94Å; V67-V69 HydrophobicContact CG2-CG2 4.43Å
68	Y	97.8	Very high	96.7	Very high	68 Å²	68	50.8 Å²	50.8	27%	0.267	31%	0.308	S	S	.	.			trans	-89.9	120.9	169	176.5	-115.6	0	0	0	110.1	P36 V37 L70 R106 F107	P36-Y68 CarbonylContact C-O 3.56Å; P36-Y68 VanDerWaalsContact CA-O 3.24Å; P36-Y68 WeakPolarHBondContact CA-O 3.18Å; P36-Y68 HydrophobicContact CB-CD1 4.08Å; P36-Y68 WeakPolarHBondContact CB-O 3.16Å; V37-Y68 PolarHBondContact N-O 2.99Å; Y68-L70 HydrophobicContact CE1-CB 3.98Å; Y68-R106 HydrophobicContact CD1-CB 4.26Å; Y68-R106 VanDerWaalsContact OH-CZ 3.26Å; Y68-R106 PolarHBondContact OH-NH1 3.38Å; Y68-R106 PolarHBondContact OH-NH2 2.9Å; Y68-F107 HydrophobicContact CD1-CE1 4.29Å; Y68-F107 HydrophobicContact CD1-CZ 4.23Å; Y68-F107 HydrophobicContact CE1-CE1 4.25Å; Y68-F107 HydrophobicContact CE1-CE2 4.43Å; Y68-F107 AromaticContact CE1-CZ 3.74Å; Y68-F107 HydrophobicContact CE1-CZ 3.74Å
69	V	98.4	Very high	96.4	Very high	6 Å²	6	51 Å²	51	4%	0.036	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.6	176.5	-172.6	0	0	0	0	110.4	V37 M39 K57 I60 E61 V67	V37-V69 HydrophobicContact CB-CG1 4.27Å; V37-V69 HydrophobicContact CB-CG2 4.27Å; V37-V69 CarbonylContact O-C 3.6Å; V37-V69 WeakPolarHBondContact O-CA 3.45Å; M39-V69 HydrophobicContact CG-CG1 4.07Å; M39-V69 HydrophobicContact SD-CG1 3.64Å; K57-V69 HydrophobicContact CB-CG1 4.34Å; K57-V69 HydrophobicContact CD-CB 4.37Å; K57-V69 HydrophobicContact CD-CG1 4.29Å; K57-V69 WeakPolarHBondContact CE-O 3.36Å; K57-V69 HydrophobicContact CG-CB 3.94Å; K57-V69 HydrophobicContact CG-CG1 3.81Å; I60-V69 HydrophobicContact CB-CG2 4.3Å; I60-V69 HydrophobicContact CG2-CG2 3.78Å; E61-V69 HydrophobicContact CG-CG2 3.88Å; V67-V69 HydrophobicContact CG1-CG2 3.94Å; V67-V69 HydrophobicContact CG2-CG2 4.43Å
70	L	98.5	Very high	96.1	Very high	28 Å²	28	55.5 Å²	55.5	15%	0.147	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.9	171.5	174.5	65.9	0	0	0	109.8	V37 V38 M39 Y68 L72 L100 L101 F107	V37-L70 PolarHBondContact O-N 3.46Å; V38-L70 CarbonylContact C-O 3.54Å; V38-L70 WeakPolarHBondContact CA-O 3.19Å; M39-L70 PolarHBondContact N-O 2.95Å; Y68-L70 HydrophobicContact CE1-CB 3.98Å; L70-L72 HydrophobicContact CD2-CD2 3.9Å; L70-L72 HydrophobicContact CG-CD2 4.26Å; L70-L100 HydrophobicContact CD2-CD2 3.43Å; L70-L100 VanDerWaalsContact CD2-CD2 3.43Å; L70-L101 HydrophobicContact CD2-CD2 4.14Å; L70-F107 HydrophobicContact CB-CZ 3.88Å; L70-F107 HydrophobicContact CD2-CE2 3.86Å; L70-F107 HydrophobicContact CD2-CZ 3.59Å; L70-F107 HydrophobicContact CG-CZ 4.39Å
71	S	98.5	Very high	96	Very high	18 Å²	18	55.5 Å²	55.5	13%	0.126	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114.7	166.2	-164.4	0	0	0	0	109.2	C47	C47-S71 WeakPolarHBondContact CA-OG 3.12Å; C47-S71 VanDerWaalsContact O-CB 3.26Å; C47-S71 WeakPolarHBondContact O-CB 3.37Å; C47-S71 PolarHBondContact O-OG 3.23Å
72	L	98.6	Very high	95.6	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	34%	0.338	C	S	.	.			trans	-65.3	140.7	-175.6	-65.4	171	0	0	0	111.2	V38 M39 W40 C47 L70 F74 V97 L100	V38-L72 HydrophobicContact CG1-CD1 3.72Å; V38-L72 HydrophobicContact CG1-CD2 4.16Å; V38-L72 HydrophobicContact CG1-CG 3.81Å; M39-L72 WeakPolarHBondContact O-CB 3.36Å; M39-L72 WeakPolarHBondContact O-CG 3.45Å; M39-L72 PolarHBondContact O-N 3.38Å; W40-L72 HydrophobicContact CB-CD1 4.11Å; W40-L72 HydrophobicContact CD2-CD1 3.81Å; W40-L72 HydrophobicContact CE3-CD1 3.54Å; W40-L72 HydrophobicContact CG-CD1 4.07Å; W40-L72 HydrophobicContact CZ3-CD1 4.26Å; C47-L72 WeakPolarHBondContact CB-O 3.35Å; L70-L72 HydrophobicContact CD2-CD2 3.9Å; L70-L72 HydrophobicContact CG-CD2 4.26Å; L72-F74 HydrophobicContact CB-CE2 3.85Å; L72-F74 HydrophobicContact CB-CZ 4Å; L72-F74 HydrophobicContact CD1-CZ 4.35Å; L72-V97 HydrophobicContact CD1-CG1 3.88Å; L72-V97 HydrophobicContact CD1-CG2 3.84Å; L72-V97 HydrophobicContact CD2-CG1 4.29Å; L72-V97 HydrophobicContact CD2-CG2 4.19Å; L72-L100 HydrophobicContact CD2-CD2 4.31Å
73	S	97.5	Very high	95.2	Very high	55 Å²	55	55.7 Å²	55.7	39%	0.385	33%	0.332	S	S	.	.			trans	-131.7	139.4	175.7	-165.5	0	0	0	0	110.2	G75 D81	S73-G75 PolarHBondContact OG-O 2.88Å; S73-D81 WeakPolarHBondContact CA-OD1 3.46Å; S73-D81 PolarHBondContact OG-OD2 2.9Å
74	F	95.2	Very high	94.9	Very high	35 Å²	35	53.6 Å²	53.6	15%	0.154	33%	0.325	C	S	.	.	S	Bend	trans	-114.8	45	-173	-60.8	-86.2	0	0	0	111.5	W40 H41 L72 D81 A84 Q93 V97	W40-F74 AromaticContact CD1-CE2 3.79Å; W40-F74 HydrophobicContact CD2-CE2 4.2Å; W40-F74 AromaticContact CD2-CZ 3.86Å; W40-F74 HydrophobicContact CD2-CZ 3.86Å; W40-F74 AromaticContact CE2-CE2 3.5Å; W40-F74 AromaticContact CE2-CZ 3.16Å; W40-F74 HydrophobicContact CE3-CZ 4.38Å; W40-F74 HydrophobicContact CG-CE2 4.38Å; W40-F74 HydrophobicContact CG-CZ 4.48Å; W40-F74 HydrophobicContact CH2-CE1 4.07Å; W40-F74 AromaticContact CH2-CZ 3.79Å; W40-F74 HydrophobicContact CH2-CZ 3.79Å; W40-F74 AromaticContact CZ2-CE1 3.59Å; W40-F74 HydrophobicContact CZ2-CE1 3.59Å; W40-F74 AromaticContact CZ2-CE2 3.89Å; W40-F74 HydrophobicContact CZ2-CE2 3.89Å; W40-F74 AromaticContact CZ2-CZ 3.14Å; W40-F74 HydrophobicContact CZ2-CZ 3.14Å; W40-F74 HydrophobicContact CZ3-CZ 4.36Å; W40-F74 AromaticContact NE1-CE2 3.17Å; W40-F74 AromaticContact NE1-CZ 3.41Å; H41-F74 AromaticContact NE2-CD2 3.89Å; L72-F74 HydrophobicContact CB-CE2 3.85Å; L72-F74 HydrophobicContact CB-CZ 4Å; L72-F74 HydrophobicContact CD1-CZ 4.35Å; F74-D81 PolarHBondContact N-OD1 3.22Å; F74-A84 HydrophobicContact CB-CB 3.6Å; F74-A84 WeakPolarHBondContact O-CB 3.35Å; F74-Q93 HydrophobicContact CD1-CB 4.15Å; F74-Q93 HydrophobicContact CD1-CG 4.01Å; F74-Q93 HydrophobicContact CE1-CB 3.91Å; F74-Q93 HydrophobicContact CE1-CG 4.29Å; F74-V97 HydrophobicContact CE1-CG2 3.77Å; F74-V97 HydrophobicContact CZ-CG2 3.8Å
75	G	90.9	Very high	94.6	Very high	26 Å²	26	53 Å²	53	27%	0.268	32%	0.323	S	S	.	.	S	Bend	trans	162.7	164.3	173.2	0	0	0	0	0	111.8	S73 T77	S73-G75 PolarHBondContact OG-O 2.88Å; G75-T77 PolarHBondContact O-N 3.47Å; G75-T77 VanDerWaalsContact O-N 3.16Å
76	D	93.4	Very high	94.4	Very high	145 Å²	145	52 Å²	52	78%	0.775	31%	0.306	S	S	*	.	S	Bend	trans	-75.9	-3.1	-174.8	-41.4	-54.2	0	0	0	113.8	K80	D76-K80 IonicContact OD2-NZ 3.51Å
77	T	94.9	Very high	94.1	Very high	59 Å²	59	53.5 Å²	53.5	36%	0.362	29%	0.291	S	S	.	.	S	Bend	trans	-142.1	151.9	-178	66.7	0	0	0	0	109.9	G75 A79 K80 D81	G75-T77 PolarHBondContact O-N 3.47Å; G75-T77 VanDerWaalsContact O-N 3.16Å; T77-A79 PolarHBondContact O-N 3.02Å; T77-A79 VanDerWaalsContact O-N 3.14Å; T77-K80 PolarHBondContact O-N 3.41Å; T77-K80 VanDerWaalsContact O-N 3.09Å; T77-K80 WeakPolarHBondContact OG1-CG 3.26Å; T77-K80 PolarHBondContact OG1-N 3Å; T77-D81 PolarHBondContact O-N 3.38Å
78	P	93.7	Very high	93.7	Very high	91 Å²	91	54.1 Å²	54.1	59%	0.591	30%	0.3	S	S	*	.	H	α-helix	trans	-54.3	-33.1	175.1	-28	35.6	0	0	0	113.9	T46 M82	T46-P78 HydrophobicContact CG2-CB 4.12Å; T46-P78 WeakPolarHBondContact CG2-O 3.17Å; P78-M82 WeakPolarHBondContact O-CB 3.41Å; P78-M82 PolarHBondContact O-N 3.2Å
79	A	90.9	Very high	93.5	Very high	71 Å²	71	53 Å²	53	59%	0.587	30%	0.298	S	S	*	.	H	α-helix	trans	-66.5	-45.8	177.7	0	0	0	0	0	112.1	T77 M82 E83	T77-A79 PolarHBondContact O-N 3.02Å; T77-A79 VanDerWaalsContact O-N 3.14Å; A79-M82 PolarHBondContact O-N 3.11Å; A79-E83 WeakPolarHBondContact O-CB 3.36Å; A79-E83 PolarHBondContact O-N 3.25Å
80	K	92.7	Very high	93.5	Very high	103 Å²	103	52.7 Å²	52.7	45%	0.448	30%	0.297	S	S	.	.	H	α-helix	trans	-65.9	-38.6	175.9	-70.6	-179	-179.2	-178.7	0	112	D76 T77 E83 A84	D76-K80 IonicContact OD2-NZ 3.51Å; T77-K80 PolarHBondContact O-N 3.41Å; T77-K80 VanDerWaalsContact O-N 3.09Å; T77-K80 WeakPolarHBondContact OG1-CG 3.26Å; T77-K80 PolarHBondContact OG1-N 3Å; K80-E83 PolarHBondContact O-N 3.4Å; K80-A84 WeakPolarHBondContact O-CB 3.44Å; K80-A84 PolarHBondContact O-N 3.42Å
81	D	94.5	Very high	93.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-46.5	176.4	-166.1	20.2	0	0	0	111.6	H41 T46 C47 S73 F74 T77 A84 S85	H41-D81 IonicContact CE1-OD1 2.93Å; H41-D81 IonicContact NE2-OD1 2.58Å; H41-D81 PolarHBondContact NE2-OD1 3.42Å; H41-D81 VanDerWaalsContact NE2-OD1 3.1Å; H41-D81 IonicContact NE2-OD2 3.98Å; T46-D81 WeakPolarHBondContact CA-OD2 3.49Å; T46-D81 HydrophobicContact CG2-CB 4.29Å; C47-D81 PolarHBondContact N-OD2 3.07Å; S73-D81 WeakPolarHBondContact CA-OD1 3.46Å; S73-D81 PolarHBondContact OG-OD2 2.9Å; F74-D81 PolarHBondContact N-OD1 3.22Å; T77-D81 PolarHBondContact O-N 3.38Å; D81-A84 PolarHBondContact O-N 3.33Å; D81-S85 PolarHBondContact O-N 3.48Å
82	M	90.6	Very high	93.4	Very high	80 Å²	80	58 Å²	58	39%	0.394	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-44.6	174.1	-176.4	-178.7	-65.6	0	0	111.9	T46 P78 A79 A84 S85 Y86	T46-M82 HydrophobicContact CG2-CB 4Å; T46-M82 HydrophobicContact CG2-CE 4.26Å; P78-M82 WeakPolarHBondContact O-CB 3.41Å; P78-M82 PolarHBondContact O-N 3.2Å; A79-M82 PolarHBondContact O-N 3.11Å; M82-A84 VanDerWaalsContact C-N 3.32Å; M82-A84 PolarHBondContact O-N 2.91Å; M82-S85 VanDerWaalsContact O-CB 3.31Å; M82-S85 WeakPolarHBondContact O-CB 3.37Å; M82-S85 PolarHBondContact O-N 2.96Å; M82-S85 VanDerWaalsContact O-N 3.08Å; M82-S85 PolarHBondContact O-OG 2.92Å; M82-Y86 HydrophobicContact CG-CE2 4.26Å; M82-Y86 WeakPolarHBondContact O-CD2 3.45Å
83	E	88.1	Confident	93.4	Very high	112 Å²	112	58.6 Å²	58.6	52%	0.523	32%	0.323	S	S	.	.	H	α-helix	trans	-59.1	-42.9	177.5	-174	180	-176.9	0	0	111.7	A79 K80 S85 Y86 F87	A79-E83 WeakPolarHBondContact O-CB 3.36Å; A79-E83 PolarHBondContact O-N 3.25Å; K80-E83 PolarHBondContact O-N 3.4Å; E83-S85 PolarHBondContact O-N 2.89Å; E83-S85 VanDerWaalsContact O-N 3.15Å; E83-Y86 PolarHBondContact O-N 3.1Å; E83-F87 HydrophobicContact CG-CD2 3.87Å; E83-F87 PolarHBondContact O-N 3.44Å
84	A	92	Very high	93.4	Very high	18 Å²	18	56 Å²	56	15%	0.149	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-18.6	176.8	0	0	0	0	0	113.5	F74 K80 D81 M82 Y86 F87 Q93	F74-A84 HydrophobicContact CB-CB 3.6Å; F74-A84 WeakPolarHBondContact O-CB 3.35Å; K80-A84 WeakPolarHBondContact O-CB 3.44Å; K80-A84 PolarHBondContact O-N 3.42Å; D81-A84 PolarHBondContact O-N 3.33Å; M82-A84 VanDerWaalsContact C-N 3.32Å; M82-A84 PolarHBondContact O-N 2.91Å; A84-Y86 VanDerWaalsContact C-N 3.28Å; A84-F87 CarbonylContact C-O 3.54Å; A84-F87 WeakPolarHBondContact CA-O 3.46Å; A84-Q93 PolarHBondContact O-NE2 3.45Å
85	S	92.1	Very high	93.6	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.021	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-18.2	172.5	83.2	0	0	0	0	113.3	G44 D81 M82 E83 Q118 Q177	G44-S85 PolarHBondContact N-OG 2.73Å; D81-S85 PolarHBondContact O-N 3.48Å; M82-S85 VanDerWaalsContact O-CB 3.31Å; M82-S85 WeakPolarHBondContact O-CB 3.37Å; M82-S85 PolarHBondContact O-N 2.96Å; M82-S85 VanDerWaalsContact O-N 3.08Å; M82-S85 PolarHBondContact O-OG 2.92Å; E83-S85 PolarHBondContact O-N 2.89Å; E83-S85 VanDerWaalsContact O-N 3.15Å; S85-Q118 PolarHBondContact O-NE2 2.91Å; S85-Q177 PolarHBondContact O-NE2 2.97Å
86	Y	89.9	Confident	93.9	Very high	86 Å²	86	58.9 Å²	58.9	34%	0.337	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-38.3	177.2	-65.8	-78	0	0	0	112.6	M43 G44 M82 E83 A84 V176 Q177	M43-Y86 HydrophobicContact CG-CD1 3.79Å; M43-Y86 HydrophobicContact CG-CE1 3.31Å; M43-Y86 HydrophobicContact SD-CD1 3.95Å; M43-Y86 HydrophobicContact SD-CE1 3.55Å; M43-Y86 VanDerWaalsContact SD-CE1 3.55Å; G44-Y86 VanDerWaalsContact CA-OH 3.25Å; G44-Y86 WeakPolarHBondContact CA-OH 3.34Å; M82-Y86 HydrophobicContact CG-CE2 4.26Å; M82-Y86 WeakPolarHBondContact O-CD2 3.45Å; E83-Y86 PolarHBondContact O-N 3.1Å; A84-Y86 VanDerWaalsContact C-N 3.28Å; Y86-V176 PolarHBondContact O-N 3.13Å; Y86-Q177 PolarHBondContact O-OE1 2.99Å
87	F	90	Very high	94.1	Very high	104 Å²	104	52.1 Å²	52.1	46%	0.456	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-122.9	147.1	-172.2	-54.8	-74.4	0	0	0	111.9	E83 A84 P174	E83-F87 HydrophobicContact CG-CD2 3.87Å; E83-F87 PolarHBondContact O-N 3.44Å; A84-F87 CarbonylContact C-O 3.54Å; A84-F87 WeakPolarHBondContact CA-O 3.46Å; F87-P174 CarbonylContact C-O 3.56Å; F87-P174 WeakPolarHBondContact CA-O 3.31Å
88	G	89.5	Confident	94.3	Very high	25 Å²	25	50.4 Å²	50.4	26%	0.258	28%	0.276	S	S	.	.	S	Bend	trans	116.8	179.8	-179.4	0	0	0	0	0	113	P174 Q179	G88-P174 PolarHBondContact N-O 3.38Å; G88-Q179 PolarHBondContact O-NE2 2.84Å
89	N	94.2	Very high	94.5	Very high	43 Å²	43	53.3 Å²	53.3	23%	0.23	28%	0.275	C	S	.	.			trans	-99.9	119.6	179.7	-171.4	-31.5	0	0	0	110	N91 E92 Q93	N89-N91 PolarHBondContact O-N 2.63Å; N89-N91 VanDerWaalsContact OD1-CB 3.22Å; N89-N91 WeakPolarHBondContact OD1-CB 3.47Å; N89-N91 PolarHBondContact OD1-N 2.8Å; N89-N91 PolarHBondContact OD1-ND2 2.81Å; N89-E92 HydrophobicContact CB-CB 4.22Å; N89-E92 HydrophobicContact CB-CG 3.92Å; N89-E92 WeakPolarHBondContact O-CB 3.37Å; N89-E92 PolarHBondContact O-N 2.91Å; N89-E92 VanDerWaalsContact O-N 3.13Å; N89-Q93 PolarHBondContact O-N 2.98Å; N89-Q93 VanDerWaalsContact O-N 3.12Å
90	V	97.3	Very high	94.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-32.4	-179.3	178.8	0	0	0	0	111	E92 Q93 V94 F122 V176 Q179 F196	V90-E92 VanDerWaalsContact C-N 3.3Å; V90-E92 PolarHBondContact O-N 2.88Å; V90-Q93 PolarHBondContact O-N 3.3Å; V90-V94 HydrophobicContact CG1-CG2 4.23Å; V90-V94 VanDerWaalsContact O-CG2 3.32Å; V90-V94 WeakPolarHBondContact O-CG2 3.25Å; V90-V94 PolarHBondContact O-N 3.41Å; V90-F122 HydrophobicContact CB-CE1 4.37Å; V90-F122 HydrophobicContact CG1-CD1 3.45Å; V90-F122 VanDerWaalsContact CG1-CD1 3.45Å; V90-F122 HydrophobicContact CG1-CD2 4.44Å; V90-F122 HydrophobicContact CG1-CE1 3.5Å; V90-F122 HydrophobicContact CG1-CE2 4.44Å; V90-F122 HydrophobicContact CG1-CG 3.99Å; V90-F122 HydrophobicContact CG1-CZ 4.02Å; V90-F122 HydrophobicContact CG2-CE1 3.89Å; V90-F122 HydrophobicContact CG2-CE2 4.46Å; V90-F122 HydrophobicContact CG2-CZ 3.79Å; V90-V176 HydrophobicContact CG2-CB 4.36Å; V90-V176 HydrophobicContact CG2-CG1 3.82Å; V90-V176 HydrophobicContact CG2-CG2 4.24Å; V90-Q179 HydrophobicContact CG2-CB 4.34Å; V90-F196 HydrophobicContact CB-CD1 4.47Å; V90-F196 HydrophobicContact CB-CD2 4.12Å; V90-F196 HydrophobicContact CB-CE2 4.4Å; V90-F196 HydrophobicContact CB-CG 4.16Å; V90-F196 HydrophobicContact CG1-CD1 4.07Å; V90-F196 HydrophobicContact CG1-CD2 3.66Å; V90-F196 HydrophobicContact CG1-CE1 3.9Å; V90-F196 HydrophobicContact CG1-CE2 3.46Å; V90-F196 VanDerWaalsContact CG1-CE2 3.46Å; V90-F196 HydrophobicContact CG1-CG 3.97Å; V90-F196 HydrophobicContact CG1-CZ 3.59Å
91	N	98.1	Very high	95.1	Very high	39 Å²	39	48.7 Å²	48.7	21%	0.209	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-38.5	176.6	-60.3	-59.4	0	0	0	111.9	N89 A95 R129 I195	N89-N91 PolarHBondContact O-N 2.63Å; N89-N91 VanDerWaalsContact OD1-CB 3.22Å; N89-N91 WeakPolarHBondContact OD1-CB 3.47Å; N89-N91 PolarHBondContact OD1-N 2.8Å; N89-N91 PolarHBondContact OD1-ND2 2.81Å; N91-A95 WeakPolarHBondContact O-CB 3.45Å; N91-A95 PolarHBondContact O-N 2.89Å; N91-R129 PolarHBondContact OD1-NH1 2.99Å; N91-R129 PolarHBondContact OD1-NH2 3.2Å; N91-I195 PolarHBondContact ND2-O 2.8Å; N91-I195 PolarHBondContact OD1-O 3.3Å
92	E	97.4	Very high	95.3	Very high	119 Å²	119	51.6 Å²	51.6	56%	0.556	27%	0.27	S	S	*	.	H	α-helix	trans	-68.8	-42.5	175.3	-66.4	173.4	-172.8	0	0	111.1	N89 V90 V94 A95 N96	N89-E92 HydrophobicContact CB-CB 4.22Å; N89-E92 HydrophobicContact CB-CG 3.92Å; N89-E92 WeakPolarHBondContact O-CB 3.37Å; N89-E92 PolarHBondContact O-N 2.91Å; N89-E92 VanDerWaalsContact O-N 3.13Å; V90-E92 VanDerWaalsContact C-N 3.3Å; V90-E92 PolarHBondContact O-N 2.88Å; E92-V94 PolarHBondContact O-N 3.22Å; E92-A95 PolarHBondContact O-N 3.27Å; E92-N96 WeakPolarHBondContact O-CB 3.42Å; E92-N96 PolarHBondContact O-N 3.12Å; E92-N96 PolarHBondContact O-ND2 3.24Å; E92-N96 PolarHBondContact O-OD1 3.34Å
93	Q	97.9	Very high	95.6	Very high	16 Å²	16	54.4 Å²	54.4	8%	0.075	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-46.6	175.2	-66.1	-174.4	19.8	0	0	111.6	W40 F74 A84 N89 V90 A95 N96 V97	W40-Q93 HydrophobicContact CH2-CB 4.2Å; W40-Q93 HydrophobicContact CZ2-CB 4.06Å; F74-Q93 HydrophobicContact CD1-CB 4.15Å; F74-Q93 HydrophobicContact CD1-CG 4.01Å; F74-Q93 HydrophobicContact CE1-CB 3.91Å; F74-Q93 HydrophobicContact CE1-CG 4.29Å; A84-Q93 PolarHBondContact O-NE2 3.45Å; N89-Q93 PolarHBondContact O-N 2.98Å; N89-Q93 VanDerWaalsContact O-N 3.12Å; V90-Q93 PolarHBondContact O-N 3.3Å; Q93-A95 PolarHBondContact O-N 3.27Å; Q93-N96 PolarHBondContact O-N 3.48Å; Q93-V97 WeakPolarHBondContact O-CG2 3.41Å; Q93-V97 PolarHBondContact O-N 2.03Å
94	V	98.7	Very high	96.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-43	176.7	171.1	0	0	0	0	111.3	W40 V90 E92 N96 V97 C98 A125 V126 F196	W40-V94 HydrophobicContact CH2-CG2 4.01Å; W40-V94 HydrophobicContact CZ3-CG2 4.43Å; V90-V94 HydrophobicContact CG1-CG2 4.23Å; V90-V94 VanDerWaalsContact O-CG2 3.32Å; V90-V94 WeakPolarHBondContact O-CG2 3.25Å; V90-V94 PolarHBondContact O-N 3.41Å; E92-V94 PolarHBondContact O-N 3.22Å; V94-N96 VanDerWaalsContact C-N 3.34Å; V94-N96 PolarHBondContact O-N 2.88Å; V94-V97 PolarHBondContact O-N 3.38Å; V94-C98 PolarHBondContact O-N 2.9Å; V94-C98 PolarHBondContact O-SG 3Å; V94-C98 VanDerWaalsContact O-SG 3.34Å; V94-A125 HydrophobicContact CG1-CB 4.15Å; V94-A125 HydrophobicContact CG2-CB 3.91Å; V94-V126 HydrophobicContact CG1-CG2 3.96Å; V94-F196 HydrophobicContact CG2-CE2 4.37Å
95	A	98.3	Very high	96.3	Very high	47 Å²	47	53.5 Å²	53.5	39%	0.388	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-38.2	177	0	0	0	0	0	112.5	N91 E92 Q93 C98 R99	N91-A95 WeakPolarHBondContact O-CB 3.45Å; N91-A95 PolarHBondContact O-N 2.89Å; E92-A95 PolarHBondContact O-N 3.27Å; Q93-A95 PolarHBondContact O-N 3.27Å; A95-C98 PolarHBondContact O-N 3.47Å; A95-R99 PolarHBondContact O-N 2.95Å; A95-R99 VanDerWaalsContact O-N 3.13Å
96	N	97.9	Very high	96.5	Very high	74 Å²	74	59.5 Å²	59.5	40%	0.396	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-43.9	175.1	-65.8	-12.3	0	0	0	111.2	E92 Q93 V94 R99 L100	E92-N96 WeakPolarHBondContact O-CB 3.42Å; E92-N96 PolarHBondContact O-N 3.12Å; E92-N96 PolarHBondContact O-ND2 3.24Å; E92-N96 PolarHBondContact O-OD1 3.34Å; Q93-N96 PolarHBondContact O-N 3.48Å; V94-N96 VanDerWaalsContact C-N 3.34Å; V94-N96 PolarHBondContact O-N 2.88Å; N96-R99 PolarHBondContact O-N 3.4Å; N96-R99 PolarHBondContact OD1-NH2 2.54Å; N96-L100 WeakPolarHBondContact O-CB 3.39Å; N96-L100 PolarHBondContact O-N 3.21Å
97	V	98.6	Very high	96.8	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-42.6	175.5	173.5	0	0	0	0	111	W40 L72 F74 Q93 V94 R99 L100 L101 V126	W40-V97 HydrophobicContact CE3-CG2 4.3Å; W40-V97 HydrophobicContact CH2-CB 4.46Å; W40-V97 HydrophobicContact CH2-CG2 3.78Å; W40-V97 HydrophobicContact CZ3-CB 4.08Å; W40-V97 HydrophobicContact CZ3-CG1 4.18Å; W40-V97 HydrophobicContact CZ3-CG2 3.66Å; L72-V97 HydrophobicContact CD1-CG1 3.88Å; L72-V97 HydrophobicContact CD1-CG2 3.84Å; L72-V97 HydrophobicContact CD2-CG1 4.29Å; L72-V97 HydrophobicContact CD2-CG2 4.19Å; F74-V97 HydrophobicContact CE1-CG2 3.77Å; F74-V97 HydrophobicContact CZ-CG2 3.8Å; Q93-V97 WeakPolarHBondContact O-CG2 3.41Å; Q93-V97 PolarHBondContact O-N 2.03Å; V94-V97 PolarHBondContact O-N 3.38Å; V97-R99 VanDerWaalsContact C-N 3.29Å; V97-R99 PolarHBondContact O-N 3.46Å; V97-L100 PolarHBondContact O-N 2.93Å; V97-L101 HydrophobicContact CG1-CD1 3.77Å; V97-L101 HydrophobicContact CG1-CG 4.09Å; V97-L101 WeakPolarHBondContact O-CB 3.39Å; V97-L101 VanDerWaalsContact O-CG 3.25Å; V97-L101 WeakPolarHBondContact O-CG 3.25Å; V97-L101 PolarHBondContact O-N 3.1Å; V97-V126 HydrophobicContact CB-CG2 4.26Å; V97-V126 HydrophobicContact CG1-CG1 4.42Å; V97-V126 HydrophobicContact CG1-CG2 3.86Å
98	C	98.7	Very high	97.1	Very high	23 Å²	23	55.3 Å²	55.3	16%	0.155	31%	0.308	C	S	.	.	H	α-helix	trans	-55.4	-44.5	174.6	-68.3	0	0	0	0	112.3	V94 A95 A102 C130	V94-C98 PolarHBondContact O-N 2.9Å; V94-C98 PolarHBondContact O-SG 3Å; V94-C98 VanDerWaalsContact O-SG 3.34Å; A95-C98 PolarHBondContact O-N 3.47Å; C98-A102 WeakPolarHBondContact O-CB 3.4Å; C98-A102 PolarHBondContact O-N 2.91Å; C98-C130 WeakPolarHBondContact CA-SG 3.38Å; C98-C130 HydrophobicContact CB-CB 3.82Å; C98-C130 WeakPolarHBondContact CB-SG 3.46Å; C98-C130 WeakPolarHBondContact SG-CA 3.14Å; C98-C130 WeakPolarHBondContact SG-CB 3.05Å; C98-C130 CovalentContact SG-SG 2.03Å; C98-C130 PolarHBondContact SG-SG 3.21Å
99	R	98.1	Very high	97.3	Very high	151 Å²	151	63.6 Å²	63.6	57%	0.57	34%	0.337	S	S	*	.	H	α-helix	trans	-66	-48.1	177.8	-69.9	-175.3	-67.1	134.3	-8.7	111.7	A95 N96 V97 L101 A102 D103	A95-R99 PolarHBondContact O-N 2.95Å; A95-R99 VanDerWaalsContact O-N 3.13Å; N96-R99 PolarHBondContact O-N 3.4Å; N96-R99 PolarHBondContact OD1-NH2 2.54Å; V97-R99 VanDerWaalsContact C-N 3.29Å; V97-R99 PolarHBondContact O-N 3.46Å; R99-L101 VanDerWaalsContact C-N 3.27Å; R99-L101 PolarHBondContact O-N 2.94Å; R99-A102 PolarHBondContact O-N 3.15Å; R99-A102 VanDerWaalsContact O-N 3.07Å; R99-D103 PolarHBondContact O-N 2.62Å
100	L	97.8	Very high	97.5	Very high	76 Å²	76	61.7 Å²	61.7	40%	0.398	33%	0.327	S	S	.	.	H	α-helix	trans	-55.3	-44.4	178.4	-177.2	151.5	0	0	0	111.8	L70 L72 N96 V97 D104	L70-L100 HydrophobicContact CD2-CD2 3.43Å; L70-L100 VanDerWaalsContact CD2-CD2 3.43Å; L72-L100 HydrophobicContact CD2-CD2 4.31Å; N96-L100 WeakPolarHBondContact O-CB 3.39Å; N96-L100 PolarHBondContact O-N 3.21Å; V97-L100 PolarHBondContact O-N 2.93Å; L100-D104 PolarHBondContact O-N 2.77Å
101	L	98.4	Very high	97.5	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-71.3	-32.7	179.2	-63.6	178	0	0	0	112.5	V38 L70 V97 R99 F107 Y111 V126 P133	V38-L101 HydrophobicContact CG1-CD2 4.42Å; V38-L101 HydrophobicContact CG2-CD2 3.62Å; L70-L101 HydrophobicContact CD2-CD2 4.14Å; V97-L101 HydrophobicContact CG1-CD1 3.77Å; V97-L101 HydrophobicContact CG1-CG 4.09Å; V97-L101 WeakPolarHBondContact O-CB 3.39Å; V97-L101 VanDerWaalsContact O-CG 3.25Å; V97-L101 WeakPolarHBondContact O-CG 3.25Å; V97-L101 PolarHBondContact O-N 3.1Å; R99-L101 VanDerWaalsContact C-N 3.27Å; R99-L101 PolarHBondContact O-N 2.94Å; L101-F107 HydrophobicContact CB-CD2 4.42Å; L101-F107 HydrophobicContact CD2-CD2 3.7Å; L101-F107 HydrophobicContact CD2-CE1 4.37Å; L101-F107 HydrophobicContact CD2-CE2 3.53Å; L101-F107 HydrophobicContact CD2-CG 4.24Å; L101-F107 HydrophobicContact CD2-CZ 3.88Å; L101-Y111 HydrophobicContact CD1-CE1 4.15Å; L101-Y111 HydrophobicContact CD1-CE2 4.02Å; L101-Y111 WeakPolarHBondContact CD1-OH 3.09Å; L101-V126 HydrophobicContact CD1-CG1 4.05Å; L101-P133 VanDerWaalsContact C-CD 3.46Å; L101-P133 HydrophobicContact CB-CG 3.88Å; L101-P133 VanDerWaalsContact O-CD 3.3Å; L101-P133 WeakPolarHBondContact O-CD 3.48Å; L101-P133 WeakPolarHBondContact O-CG 3.43Å
102	A	97.9	Very high	97.6	Very high	61 Å²	61	59.9 Å²	59.9	50%	0.504	32%	0.317	S	S	.	.	H	α-helix	trans	-70.2	-33.6	176.6	0	0	0	0	0	112.8	C98 R99	C98-A102 WeakPolarHBondContact O-CB 3.4Å; C98-A102 PolarHBondContact O-N 2.91Å; R99-A102 PolarHBondContact O-N 3.15Å; R99-A102 VanDerWaalsContact O-N 3.07Å
103	D	97.4	Very high	97.6	Very high	139 Å²	139	54.2 Å²	54.2	74%	0.743	29%	0.291	S	S	*	.	H	α-helix	trans	-82.6	-17.3	-177.2	-67.3	-21.2	0	0	0	113.4	R99	R99-D103 PolarHBondContact O-N 2.62Å
104	D	97	Very high	97.7	Very high	29 Å²	29	53.4 Å²	53.4	16%	0.155	29%	0.287	C	S	.	.			trans	-95.9	107.8	-179	-177.2	-11.4	0	0	0	112.1	L100 R106 F107	L100-D104 PolarHBondContact O-N 2.77Å; D104-R106 PolarHBondContact O-N 3.21Å; D104-R106 VanDerWaalsContact OD1-CB 3.32Å; D104-R106 WeakPolarHBondContact OD1-CB 3.25Å; D104-R106 WeakPolarHBondContact OD1-CG 3.13Å; D104-R106 IonicContact OD1-CZ 3.65Å; D104-R106 PolarHBondContact OD1-N 3.08Å; D104-R106 IonicContact OD1-NE 2.86Å; D104-R106 PolarHBondContact OD1-NE 3.24Å; D104-R106 IonicContact OD1-NH2 3.58Å; D104-R106 IonicContact OD2-CZ 3.27Å; D104-R106 VanDerWaalsContact OD2-CZ 3.27Å; D104-R106 IonicContact OD2-NE 3.13Å; D104-R106 PolarHBondContact OD2-NE 3.28Å; D104-R106 VanDerWaalsContact OD2-NE 3.13Å; D104-R106 IonicContact OD2-NH2 2.67Å; D104-R106 PolarHBondContact OD2-NH2 2.97Å; D104-F107 HydrophobicContact CB-CD2 3.64Å; D104-F107 HydrophobicContact CB-CE2 3.75Å; D104-F107 PolarHBondContact O-N 2.78Å; D104-F107 WeakPolarHBondContact OD2-CE2 3.37Å
105	A	96.7	Very high	97.7	Very high	82 Å²	82	53.4 Å²	53.4	68%	0.678	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-56.2	-22.8	-176	0	0	0	0	0	114.4	F107 T108	A105-F107 PolarHBondContact O-N 2.84Å; A105-T108 WeakPolarHBondContact O-CB 3.48Å; A105-T108 PolarHBondContact O-N 2.9Å; A105-T108 PolarHBondContact O-OG1 2.85Å
106	R	96.4	Very high	97.7	Very high	129 Å²	129	51.5 Å²	51.5	49%	0.487	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-62.6	-28.7	177.7	-68	171.9	-73.5	-163.7	-1.2	112.2	Y68 D104	Y68-R106 HydrophobicContact CD1-CB 4.26Å; Y68-R106 VanDerWaalsContact OH-CZ 3.26Å; Y68-R106 PolarHBondContact OH-NH1 3.38Å; Y68-R106 PolarHBondContact OH-NH2 2.9Å; D104-R106 PolarHBondContact O-N 3.21Å; D104-R106 VanDerWaalsContact OD1-CB 3.32Å; D104-R106 WeakPolarHBondContact OD1-CB 3.25Å; D104-R106 WeakPolarHBondContact OD1-CG 3.13Å; D104-R106 IonicContact OD1-CZ 3.65Å; D104-R106 PolarHBondContact OD1-N 3.08Å; D104-R106 IonicContact OD1-NE 2.86Å; D104-R106 PolarHBondContact OD1-NE 3.24Å; D104-R106 IonicContact OD1-NH2 3.58Å; D104-R106 IonicContact OD2-CZ 3.27Å; D104-R106 VanDerWaalsContact OD2-CZ 3.27Å; D104-R106 IonicContact OD2-NE 3.13Å; D104-R106 PolarHBondContact OD2-NE 3.28Å; D104-R106 VanDerWaalsContact OD2-NE 3.13Å; D104-R106 IonicContact OD2-NH2 2.67Å; D104-R106 PolarHBondContact OD2-NH2 2.97Å
107	F	97.4	Very high	97.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-89.8	-2	-178.7	-55.7	-60.7	0	0	0	113.9	P36 V38 Y68 L70 L101 D104 A105 K109 G110 Y111 P133	P36-F107 HydrophobicContact CB-CD1 3.9Å; P36-F107 HydrophobicContact CB-CE1 3.78Å; P36-F107 HydrophobicContact CG-CD1 3.52Å; P36-F107 HydrophobicContact CG-CE1 3.96Å; V38-F107 HydrophobicContact CG2-CD1 4.31Å; V38-F107 HydrophobicContact CG2-CE1 3.61Å; V38-F107 HydrophobicContact CG2-CZ 3.9Å; Y68-F107 HydrophobicContact CD1-CE1 4.29Å; Y68-F107 HydrophobicContact CD1-CZ 4.23Å; Y68-F107 HydrophobicContact CE1-CE1 4.25Å; Y68-F107 HydrophobicContact CE1-CE2 4.43Å; Y68-F107 AromaticContact CE1-CZ 3.74Å; Y68-F107 HydrophobicContact CE1-CZ 3.74Å; L70-F107 HydrophobicContact CB-CZ 3.88Å; L70-F107 HydrophobicContact CD2-CE2 3.86Å; L70-F107 HydrophobicContact CD2-CZ 3.59Å; L70-F107 HydrophobicContact CG-CZ 4.39Å; L101-F107 HydrophobicContact CB-CD2 4.42Å; L101-F107 HydrophobicContact CD2-CD2 3.7Å; L101-F107 HydrophobicContact CD2-CE1 4.37Å; L101-F107 HydrophobicContact CD2-CE2 3.53Å; L101-F107 HydrophobicContact CD2-CG 4.24Å; L101-F107 HydrophobicContact CD2-CZ 3.88Å; D104-F107 HydrophobicContact CB-CD2 3.64Å; D104-F107 HydrophobicContact CB-CE2 3.75Å; D104-F107 PolarHBondContact O-N 2.78Å; D104-F107 WeakPolarHBondContact OD2-CE2 3.37Å; A105-F107 PolarHBondContact O-N 2.84Å; F107-K109 PolarHBondContact O-N 2.8Å; F107-G110 WeakPolarHBondContact O-CA 3.45Å; F107-G110 PolarHBondContact O-N 2.99Å; F107-Y111 HydrophobicContact CB-CD1 4.48Å; F107-Y111 HydrophobicContact CD1-CG 4.28Å; F107-P133 HydrophobicContact CB-CB 3.99Å; F107-P133 HydrophobicContact CB-CG 3.51Å; F107-P133 HydrophobicContact CG-CG 4.5Å; F107-P133 WeakPolarHBondContact O-CB 3.33Å
108	T	95.2	Very high	97.7	Very high	101 Å²	101	48.7 Å²	48.7	62%	0.62	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.9	-173.8	-54.5	0	0	0	0	113.1	A105 G110	A105-T108 WeakPolarHBondContact O-CB 3.48Å; A105-T108 PolarHBondContact O-N 2.9Å; A105-T108 PolarHBondContact O-OG1 2.85Å; T108-G110 VanDerWaalsContact C-N 3.31Å
109	K	94.7	Very high	97.7	Very high	199 Å²	199	47.6 Å²	47.6	87%	0.865	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	1.1	178.7	-63.7	-178.1	-176.9	172.9	0	114	F107	F107-K109 PolarHBondContact O-N 2.8Å
110	G	96.9	Very high	97.7	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.031	22%	0.222	C	C	.	.			trans	104.8	173.2	-175.7	0	0	0	0	0	113	P36 F107 T108 R134	P36-G110 WeakPolarHBondContact CD-O 3.45Å; F107-G110 WeakPolarHBondContact O-CA 3.45Å; F107-G110 PolarHBondContact O-N 2.99Å; T108-G110 VanDerWaalsContact C-N 3.31Å; G110-R134 WeakPolarHBondContact CA-O 3.26Å
111	Y	98.6	Very high	97.8	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	155	-176.2	65.2	-80.9	0	0	0	111.6	P36 V38 L101 F107 A113 V126 P133 R134 M135 R136	P36-Y111 CarbonylContact O-C 3.53Å; P36-Y111 VanDerWaalsContact O-CA 3.31Å; P36-Y111 WeakPolarHBondContact O-CA 3.32Å; P36-Y111 WeakPolarHBondContact O-CB 3.39Å; V38-Y111 HydrophobicContact CB-CD2 3.93Å; V38-Y111 HydrophobicContact CB-CE2 4.2Å; V38-Y111 HydrophobicContact CG2-CD2 3.46Å; V38-Y111 VanDerWaalsContact CG2-CD2 3.46Å; V38-Y111 HydrophobicContact CG2-CE2 3.95Å; V38-Y111 HydrophobicContact CG2-CG 4.11Å; L101-Y111 HydrophobicContact CD1-CE1 4.15Å; L101-Y111 HydrophobicContact CD1-CE2 4.02Å; L101-Y111 WeakPolarHBondContact CD1-OH 3.09Å; F107-Y111 HydrophobicContact CB-CD1 4.48Å; F107-Y111 HydrophobicContact CD1-CG 4.28Å; Y111-A113 HydrophobicContact CD2-CB 4.37Å; Y111-A113 HydrophobicContact CE2-CB 4.11Å; Y111-V126 VanDerWaalsContact OH-CG1 3.25Å; Y111-V126 WeakPolarHBondContact OH-CG1 3.41Å; Y111-P133 HydrophobicContact CD1-CB 4.21Å; Y111-P133 HydrophobicContact CD1-CG 3.91Å; Y111-P133 HydrophobicContact CE1-CB 4.25Å; Y111-P133 HydrophobicContact CE1-CG 3.78Å; Y111-R134 PolarHBondContact N-O 3.05Å; Y111-M135 HydrophobicContact CD2-CG 4.48Å; Y111-M135 HydrophobicContact CE1-CB 4.18Å; Y111-M135 HydrophobicContact CE2-CB 4.1Å; Y111-M135 HydrophobicContact CE2-CE 3.76Å; Y111-M135 HydrophobicContact CE2-CG 3.97Å; Y111-M135 CarbonylContact O-C 3.56Å; Y111-M135 WeakPolarHBondContact O-CA 3.31Å; Y111-M135 WeakPolarHBondContact OH-CE 3.45Å; Y111-R136 PolarHBondContact O-N 2.72Å
112	H	98.7	Very high	97.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	153.1	165.4	-55.9	-59.7	0	0	0	110	T35 P36 V37 V38 N137 I310	T35-H112 WeakPolarHBondContact CB-NE2 3.34Å; T35-H112 WeakPolarHBondContact CG2-NE2 3.48Å; P36-H112 PolarHBondContact O-N 3.35Å; V37-H112 CarbonylContact C-O 3.59Å; V37-H112 WeakPolarHBondContact CA-O 3.43Å; V37-H112 HydrophobicContact CG2-CB 4.42Å; V38-H112 PolarHBondContact N-O 2.82Å; H112-N137 PolarHBondContact CE1-ND2 3.41Å; H112-N137 WeakPolarHBondContact ND1-CB 3.45Å; H112-N137 PolarHBondContact ND1-N 3Å; H112-N137 PolarHBondContact ND1-ND2 3.13Å; H112-N137 VanDerWaalsContact ND1-ND2 3.13Å; H112-I310 HydrophobicContact CB-CD1 3.57Å
113	A	98.9	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.3	-178.6	0	0	0	0	0	111.5	V38 Y111 L123 M135 N137 L138 I139	V38-A113 CarbonylContact O-C 3.59Å; V38-A113 VanDerWaalsContact O-CA 3.25Å; V38-A113 WeakPolarHBondContact O-CA 3.37Å; Y111-A113 HydrophobicContact CD2-CB 4.37Å; Y111-A113 HydrophobicContact CE2-CB 4.11Å; A113-L123 HydrophobicContact CB-CD1 4.03Å; A113-L123 HydrophobicContact CB-CD2 4.15Å; A113-L123 HydrophobicContact CB-CG 4.5Å; A113-M135 HydrophobicContact CB-CE 3.55Å; A113-M135 HydrophobicContact CB-CG 3.95Å; A113-M135 HydrophobicContact CB-SD 3.56Å; A113-M135 VanDerWaalsContact CB-SD 3.56Å; A113-N137 PolarHBondContact N-O 3.3Å; A113-L138 HydrophobicContact CB-CD1 4.11Å; A113-I139 PolarHBondContact O-N 2.79Å
114	I	98.9	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	112.3	176	-54.6	179.1	0	0	0	108.7	V37 V38 M39 W40 I60 I116 L123 I139 I141 F301 I310	V37-I114 HydrophobicContact CG1-CD1 4.04Å; V37-I114 HydrophobicContact CG1-CG1 4.12Å; V38-I114 PolarHBondContact O-N 3.41Å; M39-I114 VanDerWaalsContact CA-O 3.29Å; M39-I114 WeakPolarHBondContact CA-O 3.4Å; M39-I114 HydrophobicContact CG-CB 4.37Å; W40-I114 PolarHBondContact N-O 2.9Å; I60-I114 HydrophobicContact CD1-CD1 3.79Å; I114-I116 HydrophobicContact CG2-CD1 3.98Å; I114-L123 VanDerWaalsContact C-CD1 3.43Å; I114-L123 WeakPolarHBondContact O-CD1 3.48Å; I114-I139 CarbonylContact C-O 3.55Å; I114-I139 WeakPolarHBondContact CA-O 3.37Å; I114-I139 HydrophobicContact CB-CB 4.48Å; I114-I139 HydrophobicContact CG1-CB 4.1Å; I114-I139 HydrophobicContact CG1-CG1 4.08Å; I114-I139 HydrophobicContact CG2-CB 4.4Å; I114-I141 HydrophobicContact CG2-CD1 3.78Å; I114-F301 HydrophobicContact CD1-CE2 4.31Å; I114-F301 HydrophobicContact CD1-CZ 4.2Å; I114-I310 HydrophobicContact CD1-CD1 4.33Å; I114-I310 HydrophobicContact CD1-CG1 4.47Å; I114-I310 HydrophobicContact CG1-CD1 4.39Å
115	G	98.9	Very high	98	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.7	173.9	0	0	0	0	0	111.3	S120 I139 I141	G115-S120 VanDerWaalsContact C-OG 3.23Å; G115-S120 PolarHBondContact O-OG 3.48Å; G115-I139 PolarHBondContact N-O 3.44Å; G115-I141 WeakPolarHBondContact O-CB 3.34Å; G115-I141 PolarHBondContact O-N 3.08Å
116	I	98.6	Very high	98.1	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.041	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.5	175.8	-48.3	-56.7	0	0	0	108.7	W40 H41 G42 M53 L56 I114 Q118 G119 I141 I294	W40-I116 PolarHBondContact O-N 2.95Å; H41-I116 CarbonylContact C-O 3.54Å; G42-I116 WeakPolarHBondContact CA-O 3.29Å; G42-I116 PolarHBondContact N-O 2.81Å; M53-I116 HydrophobicContact CE-CG1 4.39Å; M53-I116 HydrophobicContact SD-CG1 3.8Å; L56-I116 HydrophobicContact CD1-CD1 3.86Å; L56-I116 HydrophobicContact CD1-CG1 4.38Å; I114-I116 HydrophobicContact CG2-CD1 3.98Å; I116-Q118 PolarHBondContact O-N 3.44Å; I116-G119 PolarHBondContact O-N 2.82Å; I116-I141 HydrophobicContact CD1-CB 3.86Å; I116-I141 HydrophobicContact CD1-CD1 3.56Å; I116-I141 HydrophobicContact CD1-CG1 4.2Å; I116-I141 HydrophobicContact CD1-CG2 4.2Å; I116-I294 HydrophobicContact CG2-CD1 4.49Å; I116-I294 HydrophobicContact CG2-CG2 3.93Å
117	S	98.3	Very high	98.2	Very high	15 Å²	15	16.4 Å²	16.4	11%	0.105	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-123.2	-178.2	-169.3	0	0	0	0	110.5	G119 S120 Q121 I141 G143 Q144 H293	S117-G119 PolarHBondContact O-N 3.35Å; S117-G119 VanDerWaalsContact O-N 3.13Å; S117-S120 WeakPolarHBondContact O-CB 3.25Å; S117-S120 PolarHBondContact O-N 3.13Å; S117-S120 PolarHBondContact O-OG 2.77Å; S117-S120 VanDerWaalsContact O-OG 3.11Å; S117-Q121 PolarHBondContact O-OE1 2.81Å; S117-I141 PolarHBondContact N-O 3.49Å; S117-G143 WeakPolarHBondContact O-CA 3.36Å; S117-Q144 PolarHBondContact OG-NE2 3.27Å; S117-H293 WeakPolarHBondContact CB-NE2 3.41Å; S117-H293 PolarHBondContact OG-NE2 3.43Å
118	Q	98.3	Very high	98.3	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.014	9%	0.085	C	C	.	.	H	α-helix	trans	-58.8	-27.1	-179.6	73.7	-179	38.7	0	0	114.8	S85 I116 S120 Q121 F122 Y180	S85-Q118 PolarHBondContact O-NE2 2.91Å; I116-Q118 PolarHBondContact O-N 3.44Å; Q118-S120 PolarHBondContact O-N 3.12Å; Q118-S120 VanDerWaalsContact O-N 3.1Å; Q118-Q121 PolarHBondContact O-N 3.35Å; Q118-Q121 PolarHBondContact O-OE1 2.8Å; Q118-F122 HydrophobicContact CB-CE1 4.41Å; Q118-F122 HydrophobicContact CB-CE2 4.13Å; Q118-F122 HydrophobicContact CB-CZ 3.87Å; Q118-F122 HydrophobicContact CG-CD2 4.42Å; Q118-F122 HydrophobicContact CG-CE2 3.66Å; Q118-F122 HydrophobicContact CG-CZ 3.85Å; Q118-F122 WeakPolarHBondContact O-CD1 3.32Å; Q118-F122 VanDerWaalsContact O-CG 3.24Å; Q118-F122 WeakPolarHBondContact O-CG 3.49Å; Q118-F122 PolarHBondContact O-N 3.23Å; Q118-Y180 HydrophobicContact CB-CE1 4.3Å; Q118-Y180 PolarHBondContact OE1-OH 3.19Å
119	G	98.7	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.5	-21.9	175.8	0	0	0	0	0	113.1	I116 S117 F122 L123	I116-G119 PolarHBondContact O-N 2.82Å; S117-G119 PolarHBondContact O-N 3.35Å; S117-G119 VanDerWaalsContact O-N 3.13Å; G119-F122 PolarHBondContact O-N 2.95Å; G119-L123 WeakPolarHBondContact O-CB 3.3Å; G119-L123 PolarHBondContact O-N 3.29Å
120	S	98.9	Very high	98.6	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-66	-53.3	177.4	-60.9	0	0	0	0	113.3	G115 S117 Q118 F122 L123 R124 S140 I141 G143	G115-S120 VanDerWaalsContact C-OG 3.23Å; G115-S120 PolarHBondContact O-OG 3.48Å; S117-S120 WeakPolarHBondContact O-CB 3.25Å; S117-S120 PolarHBondContact O-N 3.13Å; S117-S120 PolarHBondContact O-OG 2.77Å; S117-S120 VanDerWaalsContact O-OG 3.11Å; Q118-S120 PolarHBondContact O-N 3.12Å; Q118-S120 VanDerWaalsContact O-N 3.1Å; S120-F122 PolarHBondContact O-N 2.88Å; S120-L123 PolarHBondContact O-N 3.29Å; S120-R124 WeakPolarHBondContact O-CB 3.22Å; S120-R124 PolarHBondContact O-N 3.27Å; S120-S140 VanDerWaalsContact CB-OG 3.22Å; S120-S140 WeakPolarHBondContact CB-OG 3.47Å; S120-S140 PolarHBondContact OG-OG 3.25Å; S120-I141 PolarHBondContact OG-N 2.83Å; S120-G143 VanDerWaalsContact CB-CA 3.43Å
121	Q	98.9	Very high	98.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-69.6	-23.8	176.2	62.3	-89.6	22.2	0	0	112.1	S117 Q118 A125 F196 I197	S117-Q121 PolarHBondContact O-OE1 2.81Å; Q118-Q121 PolarHBondContact O-N 3.35Å; Q118-Q121 PolarHBondContact O-OE1 2.8Å; Q121-A125 PolarHBondContact O-N 2.81Å; Q121-F196 HydrophobicContact CG-CE1 4.07Å; Q121-I197 HydrophobicContact CB-CD1 4.48Å
122	F	98.9	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71.8	-45.1	174.9	-57.8	-10.1	0	0	0	111.4	W40 V90 Q118 G119 S120 R124 A125 V126 V176 Y180 F196	W40-F122 HydrophobicContact CD2-CB 3.95Å; W40-F122 HydrophobicContact CD2-CD2 4.42Å; W40-F122 AromaticContact CE2-CD2 3.65Å; W40-F122 HydrophobicContact CE3-CB 3.93Å; W40-F122 HydrophobicContact CH2-CB 3.78Å; W40-F122 HydrophobicContact CH2-CD2 4.46Å; W40-F122 HydrophobicContact CH2-CG 4.5Å; W40-F122 HydrophobicContact CZ2-CB 3.79Å; W40-F122 AromaticContact CZ2-CD2 3.68Å; W40-F122 HydrophobicContact CZ2-CD2 3.68Å; W40-F122 HydrophobicContact CZ2-CG 4.13Å; W40-F122 HydrophobicContact CZ3-CB 3.84Å; W40-F122 AromaticContact NE1-CD2 3.73Å; V90-F122 HydrophobicContact CB-CE1 4.37Å; V90-F122 HydrophobicContact CG1-CD1 3.45Å; V90-F122 VanDerWaalsContact CG1-CD1 3.45Å; V90-F122 HydrophobicContact CG1-CD2 4.44Å; V90-F122 HydrophobicContact CG1-CE1 3.5Å; V90-F122 HydrophobicContact CG1-CE2 4.44Å; V90-F122 HydrophobicContact CG1-CG 3.99Å; V90-F122 HydrophobicContact CG1-CZ 4.02Å; V90-F122 HydrophobicContact CG2-CE1 3.89Å; V90-F122 HydrophobicContact CG2-CE2 4.46Å; V90-F122 HydrophobicContact CG2-CZ 3.79Å; Q118-F122 HydrophobicContact CB-CE1 4.41Å; Q118-F122 HydrophobicContact CB-CE2 4.13Å; Q118-F122 HydrophobicContact CB-CZ 3.87Å; Q118-F122 HydrophobicContact CG-CD2 4.42Å; Q118-F122 HydrophobicContact CG-CE2 3.66Å; Q118-F122 HydrophobicContact CG-CZ 3.85Å; Q118-F122 WeakPolarHBondContact O-CD1 3.32Å; Q118-F122 VanDerWaalsContact O-CG 3.24Å; Q118-F122 WeakPolarHBondContact O-CG 3.49Å; Q118-F122 PolarHBondContact O-N 3.23Å; G119-F122 PolarHBondContact O-N 2.95Å; S120-F122 PolarHBondContact O-N 2.88Å; F122-R124 VanDerWaalsContact C-N 3.3Å; F122-R124 PolarHBondContact O-N 3.35Å; F122-A125 WeakPolarHBondContact O-CA 3.42Å; F122-A125 VanDerWaalsContact O-CB 3.3Å; F122-A125 WeakPolarHBondContact O-CB 3.37Å; F122-A125 PolarHBondContact O-N 2.98Å; F122-A125 VanDerWaalsContact O-N 3.08Å; F122-V126 PolarHBondContact O-N 3.35Å; F122-V176 HydrophobicContact CE2-CG1 4.16Å; F122-V176 HydrophobicContact CZ-CG1 3.6Å; F122-Y180 HydrophobicContact CE1-CD1 4.21Å; F122-Y180 HydrophobicContact CE1-CE1 4.31Å; F122-Y180 HydrophobicContact CZ-CD1 4.47Å; F122-Y180 HydrophobicContact CZ-CE1 4.14Å; F122-F196 AromaticContact CD1-CE1 3.7Å; F122-F196 HydrophobicContact CD1-CE1 3.7Å; F122-F196 AromaticContact CD1-CZ 3.62Å; F122-F196 HydrophobicContact CD1-CZ 3.62Å; F122-F196 AromaticContact CE1-CE1 3.8Å; F122-F196 HydrophobicContact CE1-CE1 3.8Å; F122-F196 HydrophobicContact CE1-CZ 4.17Å
123	L	98.9	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.4	-31.9	172.4	-78.3	169.9	0	0	0	112.6	V38 W40 A113 I114 G119 S120 A125 V126 A127 M135 L138	V38-L123 HydrophobicContact CG1-CD2 4.28Å; W40-L123 HydrophobicContact CB-CD1 3.63Å; W40-L123 HydrophobicContact CB-CD2 4.42Å; W40-L123 HydrophobicContact CB-CG 3.79Å; W40-L123 HydrophobicContact CD2-CG 4.45Å; W40-L123 HydrophobicContact CE3-CD2 3.83Å; W40-L123 HydrophobicContact CE3-CG 3.82Å; A113-L123 HydrophobicContact CB-CD1 4.03Å; A113-L123 HydrophobicContact CB-CD2 4.15Å; A113-L123 HydrophobicContact CB-CG 4.5Å; I114-L123 VanDerWaalsContact C-CD1 3.43Å; I114-L123 WeakPolarHBondContact O-CD1 3.48Å; G119-L123 WeakPolarHBondContact O-CB 3.3Å; G119-L123 PolarHBondContact O-N 3.29Å; S120-L123 PolarHBondContact O-N 3.29Å; L123-A125 VanDerWaalsContact C-N 3.31Å; L123-A125 PolarHBondContact O-N 3.14Å; L123-V126 HydrophobicContact CD2-CG2 4.46Å; L123-V126 WeakPolarHBondContact O-CB 3.46Å; L123-V126 PolarHBondContact O-N 2.97Å; L123-A127 PolarHBondContact O-N 3.36Å; L123-M135 HydrophobicContact CB-CE 4.39Å; L123-M135 HydrophobicContact CD2-CE 4.25Å; L123-M135 WeakPolarHBondContact O-CE 3.39Å; L123-L138 HydrophobicContact CB-CD1 3.74Å
124	R	98.9	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.7	-42.5	168.7	-175.8	179.3	56.7	103.9	-20.9	111.6	S120 F122 V126 A127 Q128 L138 H145 I200 N201 L214	S120-R124 WeakPolarHBondContact O-CB 3.22Å; S120-R124 PolarHBondContact O-N 3.27Å; F122-R124 VanDerWaalsContact C-N 3.3Å; F122-R124 PolarHBondContact O-N 3.35Å; R124-V126 VanDerWaalsContact C-N 3.33Å; R124-V126 PolarHBondContact O-N 3.45Å; R124-A127 WeakPolarHBondContact O-CB 3.29Å; R124-A127 PolarHBondContact O-N 3.37Å; R124-Q128 WeakPolarHBondContact O-CG 3.21Å; R124-Q128 PolarHBondContact O-N 3.28Å; R124-L138 HydrophobicContact CB-CD2 3.9Å; R124-L138 HydrophobicContact CG-CD2 4.34Å; R124-H145 WeakPolarHBondContact CD-ND1 3.44Å; R124-H145 PolarHBondContact NE-ND1 3.29Å; R124-H145 VanDerWaalsContact NE-ND1 3.15Å; R124-H145 PolarHBondContact NH2-O 3.11Å; R124-I200 VanDerWaalsContact CZ-CD1 3.49Å; R124-I200 PolarHBondContact NH1-O 2.96Å; R124-I200 VanDerWaalsContact NH2-CD1 3.33Å; R124-N201 PolarHBondContact NH1-OD1 3.42Å; R124-N201 PolarHBondContact NH2-OD1 2.83Å; R124-L214 HydrophobicContact CG-CD1 4.05Å
125	A	98.9	Very high	98.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-38.8	174.2	0	0	0	0	0	112.2	V94 Q121 F122 L123 A127 Q128 R129 F196 I200	V94-A125 HydrophobicContact CG1-CB 4.15Å; V94-A125 HydrophobicContact CG2-CB 3.91Å; Q121-A125 PolarHBondContact O-N 2.81Å; F122-A125 WeakPolarHBondContact O-CA 3.42Å; F122-A125 VanDerWaalsContact O-CB 3.3Å; F122-A125 WeakPolarHBondContact O-CB 3.37Å; F122-A125 PolarHBondContact O-N 2.98Å; F122-A125 VanDerWaalsContact O-N 3.08Å; L123-A125 VanDerWaalsContact C-N 3.31Å; L123-A125 PolarHBondContact O-N 3.14Å; A125-A127 VanDerWaalsContact C-N 3.35Å; A125-Q128 PolarHBondContact O-N 3.02Å; A125-R129 WeakPolarHBondContact O-CB 3.28Å; A125-R129 VanDerWaalsContact O-CG 3.29Å; A125-R129 WeakPolarHBondContact O-CG 3.18Å; A125-R129 PolarHBondContact O-N 3.29Å; A125-F196 HydrophobicContact CB-CE2 3.59Å; A125-F196 HydrophobicContact CB-CZ 3.85Å; A125-I200 HydrophobicContact CB-CD1 4.14Å; A125-I200 HydrophobicContact CB-CG2 3.85Å
126	V	98.9	Very high	98	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-56.9	-48.2	171.2	169.1	0	0	0	0	110.4	W40 V94 V97 L101 Y111 F122 L123 R124 Q128 R129 C130 M135	W40-V126 HydrophobicContact CE3-CG2 4.47Å; W40-V126 HydrophobicContact CZ3-CG2 3.74Å; V94-V126 HydrophobicContact CG1-CG2 3.96Å; V97-V126 HydrophobicContact CB-CG2 4.26Å; V97-V126 HydrophobicContact CG1-CG1 4.42Å; V97-V126 HydrophobicContact CG1-CG2 3.86Å; L101-V126 HydrophobicContact CD1-CG1 4.05Å; Y111-V126 VanDerWaalsContact OH-CG1 3.25Å; Y111-V126 WeakPolarHBondContact OH-CG1 3.41Å; F122-V126 PolarHBondContact O-N 3.35Å; L123-V126 HydrophobicContact CD2-CG2 4.46Å; L123-V126 WeakPolarHBondContact O-CB 3.46Å; L123-V126 PolarHBondContact O-N 2.97Å; R124-V126 VanDerWaalsContact C-N 3.33Å; R124-V126 PolarHBondContact O-N 3.45Å; V126-Q128 VanDerWaalsContact C-N 3.3Å; V126-Q128 PolarHBondContact O-N 2.9Å; V126-R129 PolarHBondContact O-N 3.47Å; V126-C130 WeakPolarHBondContact CG1-SG 3.31Å; V126-C130 WeakPolarHBondContact O-CB 3.33Å; V126-C130 PolarHBondContact O-N 2.96Å; V126-C130 PolarHBondContact O-SG 2.91Å; V126-M135 HydrophobicContact CB-CE 4.32Å; V126-M135 HydrophobicContact CG1-CE 3.99Å
127	A	98.7	Very high	98	Very high	13 Å²	13	30 Å²	30	11%	0.107	13%	0.13	C	C	.	.	H	α-helix	trans	-59.7	-39.3	177.6	0	0	0	0	0	112.5	L123 R124 A125 M135 K213 L214 L217	L123-A127 PolarHBondContact O-N 3.36Å; R124-A127 WeakPolarHBondContact O-CB 3.29Å; R124-A127 PolarHBondContact O-N 3.37Å; A125-A127 VanDerWaalsContact C-N 3.35Å; A127-M135 HydrophobicContact CB-CE 4.02Å; A127-M135 HydrophobicContact CB-SD 3.84Å; A127-K213 WeakPolarHBondContact O-CB 3.31Å; A127-L214 HydrophobicContact CB-CD1 4.42Å; A127-L217 HydrophobicContact CB-CD2 4.47Å
128	Q	98.6	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-76.3	-32.5	178.9	-71.4	175.1	-112.5	0	0	113.3	R124 A125 V126 I200 Y210 K213 L214	R124-Q128 WeakPolarHBondContact O-CG 3.21Å; R124-Q128 PolarHBondContact O-N 3.28Å; A125-Q128 PolarHBondContact O-N 3.02Å; V126-Q128 VanDerWaalsContact C-N 3.3Å; V126-Q128 PolarHBondContact O-N 2.9Å; Q128-I200 PolarHBondContact NE2-O 3.17Å; Q128-I200 PolarHBondContact OE1-O 2.83Å; Q128-Y210 HydrophobicContact CB-CD1 3.98Å; Q128-Y210 HydrophobicContact CB-CD2 4.48Å; Q128-Y210 HydrophobicContact CB-CG 3.94Å; Q128-Y210 HydrophobicContact CG-CG 4.49Å; Q128-Y210 WeakPolarHBondContact O-CD1 3.47Å; Q128-K213 WeakPolarHBondContact O-CD 3.34Å; Q128-L214 HydrophobicContact CG-CB 4.15Å; Q128-L214 HydrophobicContact CG-CD1 4.25Å
129	R	98.6	Very high	98.1	Very high	49 Å²	49	29.2 Å²	29.2	19%	0.185	12%	0.124	C	C	.	.	H	α-helix	trans	-102.4	-43.6	-167.9	-68	174	176.5	177.9	-2.7	114.1	N91 A125 V126 D199 Y210 K213	N91-R129 PolarHBondContact OD1-NH1 2.99Å; N91-R129 PolarHBondContact OD1-NH2 3.2Å; A125-R129 WeakPolarHBondContact O-CB 3.28Å; A125-R129 VanDerWaalsContact O-CG 3.29Å; A125-R129 WeakPolarHBondContact O-CG 3.18Å; A125-R129 PolarHBondContact O-N 3.29Å; V126-R129 PolarHBondContact O-N 3.47Å; R129-D199 IonicContact CZ-OD2 2.93Å; R129-D199 IonicContact NE-OD2 4Å; R129-D199 IonicContact NH2-OD2 3.29Å; R129-D199 PolarHBondContact NH2-OD2 2.83Å; R129-Y210 HydrophobicContact CG-CE1 3.67Å; R129-Y210 PolarHBondContact NE-OH 3Å; R129-K213 PolarHBondContact O-NZ 3.14Å
130	C	97.8	Very high	98.1	Very high	13 Å²	13	29.2 Å²	29.2	9%	0.088	12%	0.124	C	C	.	.			trans	-66.5	143.4	-175.8	-47	0	0	0	0	111	C98 V126 K213	C98-C130 WeakPolarHBondContact CA-SG 3.38Å; C98-C130 HydrophobicContact CB-CB 3.82Å; C98-C130 WeakPolarHBondContact CB-SG 3.46Å; C98-C130 WeakPolarHBondContact SG-CA 3.14Å; C98-C130 WeakPolarHBondContact SG-CB 3.05Å; C98-C130 CovalentContact SG-SG 2.03Å; C98-C130 PolarHBondContact SG-SG 3.21Å; V126-C130 WeakPolarHBondContact CG1-SG 3.31Å; V126-C130 WeakPolarHBondContact O-CB 3.33Å; V126-C130 PolarHBondContact O-N 2.96Å; V126-C130 PolarHBondContact O-SG 2.91Å; C130-K213 VanDerWaalsContact C-NZ 3.31Å; C130-K213 VanDerWaalsContact O-CE 3.28Å; C130-K213 WeakPolarHBondContact O-CE 3.38Å; C130-K213 PolarHBondContact O-NZ 2.85Å
131	E	94.9	Very high	98.1	Very high	168 Å²	168	29.3 Å²	29.3	79%	0.785	13%	0.125	S	C	*	.			trans	-82.7	-46.5	178.7	-175.8	172.6	-179.5	0	0	112.1
132	R	93.8	Very high	98.1	Very high	179 Å²	179	29.3 Å²	29.3	68%	0.675	13%	0.125	S	C	*	.	S	Bend	trans	-145.1	159.8	174.3	-68.8	-66.1	-174.2	136	1	107.7
133	P	97.3	Very high	98.1	Very high	12 Å²	12	29.3 Å²	29.3	8%	0.078	13%	0.125	C	C	.	.	S	Bend	cis	-69.9	165.8	-12.4	28.1	-32.6	0	0	0	112.3	L101 F107 Y111	L101-P133 VanDerWaalsContact C-CD 3.46Å; L101-P133 HydrophobicContact CB-CG 3.88Å; L101-P133 VanDerWaalsContact O-CD 3.3Å; L101-P133 WeakPolarHBondContact O-CD 3.48Å; L101-P133 WeakPolarHBondContact O-CG 3.43Å; F107-P133 HydrophobicContact CB-CB 3.99Å; F107-P133 HydrophobicContact CB-CG 3.51Å; F107-P133 HydrophobicContact CG-CG 4.5Å; F107-P133 WeakPolarHBondContact O-CB 3.33Å; Y111-P133 HydrophobicContact CD1-CB 4.21Å; Y111-P133 HydrophobicContact CD1-CG 3.91Å; Y111-P133 HydrophobicContact CE1-CB 4.25Å; Y111-P133 HydrophobicContact CE1-CG 3.78Å
134	R	96.2	Very high	98.1	Very high	114 Å²	114	29.5 Å²	29.5	43%	0.43	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-82	126	-178.5	179.1	176	171.2	-173.8	-2.2	111	G110 Y111 Q216	G110-R134 WeakPolarHBondContact CA-O 3.26Å; Y111-R134 PolarHBondContact N-O 3.05Å; R134-Q216 VanDerWaalsContact CZ-O 3.31Å; R134-Q216 PolarHBondContact NE-O 2.88Å; R134-Q216 PolarHBondContact NH2-O 3.23Å
135	M	98.6	Very high	98.1	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.039	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.2	165.9	-169	-178.9	-66.1	0	0	109.5	Y111 A113 L123 V126 A127 L138 L217	Y111-M135 HydrophobicContact CD2-CG 4.48Å; Y111-M135 HydrophobicContact CE1-CB 4.18Å; Y111-M135 HydrophobicContact CE2-CB 4.1Å; Y111-M135 HydrophobicContact CE2-CE 3.76Å; Y111-M135 HydrophobicContact CE2-CG 3.97Å; Y111-M135 CarbonylContact O-C 3.56Å; Y111-M135 WeakPolarHBondContact O-CA 3.31Å; Y111-M135 WeakPolarHBondContact OH-CE 3.45Å; A113-M135 HydrophobicContact CB-CE 3.55Å; A113-M135 HydrophobicContact CB-CG 3.95Å; A113-M135 HydrophobicContact CB-SD 3.56Å; A113-M135 VanDerWaalsContact CB-SD 3.56Å; L123-M135 HydrophobicContact CB-CE 4.39Å; L123-M135 HydrophobicContact CD2-CE 4.25Å; L123-M135 WeakPolarHBondContact O-CE 3.39Å; V126-M135 HydrophobicContact CB-CE 4.32Å; V126-M135 HydrophobicContact CG1-CE 3.99Å; A127-M135 HydrophobicContact CB-CE 4.02Å; A127-M135 HydrophobicContact CB-SD 3.84Å; M135-L138 HydrophobicContact SD-CB 3.76Å; M135-L138 HydrophobicContact SD-CD1 3.9Å; M135-L138 HydrophobicContact SD-CD2 4.47Å; M135-L138 HydrophobicContact SD-CG 4.24Å; M135-L217 HydrophobicContact CB-CD2 3.93Å; M135-L217 HydrophobicContact CG-CD2 3.77Å; M135-L217 HydrophobicContact SD-CD2 3.88Å
136	R	98.3	Very high	98	Very high	56 Å²	56	29.8 Å²	29.8	21%	0.211	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-64.6	178.3	-66.4	-175.4	67.9	-158.2	-7.2	110.6	T35 Y111 L217 E218	T35-R136 PolarHBondContact OG1-NH1 2.97Å; Y111-R136 PolarHBondContact O-N 2.72Å; R136-L217 CarbonylContact O-C 3.52Å; R136-L217 WeakPolarHBondContact O-CA 3.49Å; R136-E218 IonicContact CZ-OE1 3.81Å; R136-E218 IonicContact CZ-OE2 3.73Å; R136-E218 IonicContact NE-OE1 3.73Å; R136-E218 PolarHBondContact NE-OE1 3.49Å; R136-E218 IonicContact NE-OE2 2.97Å; R136-E218 PolarHBondContact NE-OE2 2.88Å; R136-E218 IonicContact NH2-OE1 3.1Å; R136-E218 PolarHBondContact NH2-OE1 3.32Å; R136-E218 IonicContact NH2-OE2 3.17Å; R136-E218 PolarHBondContact NH2-OE2 3.24Å; R136-E218 WeakPolarHBondContact O-CB 3.38Å; R136-E218 PolarHBondContact O-N 3.08Å
137	N	98.8	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.5	177.6	-61.8	-41	0	0	0	109.9	H112 A113 I139 E218 N219 F309	H112-N137 PolarHBondContact CE1-ND2 3.41Å; H112-N137 WeakPolarHBondContact ND1-CB 3.45Å; H112-N137 PolarHBondContact ND1-N 3Å; H112-N137 PolarHBondContact ND1-ND2 3.13Å; H112-N137 VanDerWaalsContact ND1-ND2 3.13Å; A113-N137 PolarHBondContact N-O 3.3Å; N137-I139 HydrophobicContact CB-CD1 4.45Å; N137-E218 VanDerWaalsContact OD1-CB 3.29Å; N137-E218 WeakPolarHBondContact OD1-CB 3.2Å; N137-N219 CarbonylContact C-O 3.55Å; N137-N219 WeakPolarHBondContact CA-O 3.44Å; N137-N219 HydrophobicContact CB-CB 4.47Å; N137-N219 VanDerWaalsContact OD1-CB 3.29Å; N137-N219 WeakPolarHBondContact OD1-CB 3.19Å; N137-N219 PolarHBondContact OD1-N 3.44Å; N137-N219 PolarHBondContact OD1-ND2 3Å; N137-F309 PolarHBondContact ND2-O 2.71Å
138	L	98.9	Very high	97.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.9	171.3	176.6	58	0	0	0	109.1	A113 L123 R124 M135 L217 N219 F220 V221	A113-L138 HydrophobicContact CB-CD1 4.11Å; L123-L138 HydrophobicContact CB-CD1 3.74Å; R124-L138 HydrophobicContact CB-CD2 3.9Å; R124-L138 HydrophobicContact CG-CD2 4.34Å; M135-L138 HydrophobicContact SD-CB 3.76Å; M135-L138 HydrophobicContact SD-CD1 3.9Å; M135-L138 HydrophobicContact SD-CD2 4.47Å; M135-L138 HydrophobicContact SD-CG 4.24Å; L138-L217 HydrophobicContact CB-CD1 3.87Å; L138-L217 HydrophobicContact CB-CD2 4.17Å; L138-L217 HydrophobicContact CD2-CD1 4.22Å; L138-N219 PolarHBondContact N-O 3.24Å; L138-F220 HydrophobicContact CB-CD2 4.1Å; L138-F220 HydrophobicContact CD2-CD2 3.91Å; L138-F220 HydrophobicContact CD2-CE2 3.63Å; L138-F220 HydrophobicContact CD2-CG 4.5Å; L138-F220 HydrophobicContact CD2-CZ 3.97Å; L138-F220 HydrophobicContact CG-CD2 3.93Å; L138-F220 HydrophobicContact CG-CE2 3.91Å; L138-F220 CarbonylContact O-C 3.53Å; L138-F220 WeakPolarHBondContact O-CA 3.48Å; L138-V221 PolarHBondContact O-N 2.87Å
139	I	98.9	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	116.6	174	-42.7	-53.9	0	0	0	108.2	A113 I114 G115 N137 I141 V221 I305 F309 I310	A113-I139 PolarHBondContact O-N 2.79Å; I114-I139 CarbonylContact C-O 3.55Å; I114-I139 WeakPolarHBondContact CA-O 3.37Å; I114-I139 HydrophobicContact CB-CB 4.48Å; I114-I139 HydrophobicContact CG1-CB 4.1Å; I114-I139 HydrophobicContact CG1-CG1 4.08Å; I114-I139 HydrophobicContact CG2-CB 4.4Å; G115-I139 PolarHBondContact N-O 3.44Å; N137-I139 HydrophobicContact CB-CD1 4.45Å; I139-I141 HydrophobicContact CG2-CG1 4.25Å; I139-V221 HydrophobicContact CD1-CB 3.66Å; I139-V221 HydrophobicContact CD1-CG2 3.5Å; I139-V221 HydrophobicContact CG2-CB 4.34Å; I139-V221 HydrophobicContact CG2-CG1 4.48Å; I139-I305 HydrophobicContact CB-CG2 4.39Å; I139-I305 HydrophobicContact CG1-CG2 4.06Å; I139-I305 HydrophobicContact CG2-CD1 4.17Å; I139-I305 HydrophobicContact CG2-CG1 4.3Å; I139-I305 HydrophobicContact CG2-CG2 3.67Å; I139-F309 HydrophobicContact CD1-CB 3.87Å; I139-F309 HydrophobicContact CD1-CG 4.29Å; I139-I310 HydrophobicContact CG1-CD1 4.08Å
140	S	98.9	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.7	175.2	169.9	0	0	0	0	109.4	S120 G143 H145 V221 V223	S120-S140 VanDerWaalsContact CB-OG 3.22Å; S120-S140 WeakPolarHBondContact CB-OG 3.47Å; S120-S140 PolarHBondContact OG-OG 3.25Å; S140-G143 PolarHBondContact OG-N 3.37Å; S140-H145 VanDerWaalsContact CB-NE2 3.25Å; S140-H145 WeakPolarHBondContact CB-NE2 3.48Å; S140-H145 PolarHBondContact OG-NE2 2.93Å; S140-V221 PolarHBondContact N-O 2.94Å; S140-V223 PolarHBondContact O-N 3.15Å
141	I	98.8	Very high	95.8	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	102.1	177.2	-67.3	172.5	0	0	0	108.6	I114 G115 I116 S117 S120 I139 G143 V223 F225 I294 M296 F301 I305	I114-I141 HydrophobicContact CG2-CD1 3.78Å; G115-I141 WeakPolarHBondContact O-CB 3.34Å; G115-I141 PolarHBondContact O-N 3.08Å; I116-I141 HydrophobicContact CD1-CB 3.86Å; I116-I141 HydrophobicContact CD1-CD1 3.56Å; I116-I141 HydrophobicContact CD1-CG1 4.2Å; I116-I141 HydrophobicContact CD1-CG2 4.2Å; S117-I141 PolarHBondContact N-O 3.49Å; S120-I141 PolarHBondContact OG-N 2.83Å; I139-I141 HydrophobicContact CG2-CG1 4.25Å; I141-G143 VanDerWaalsContact C-N 3.26Å; I141-G143 PolarHBondContact O-N 3.13Å; I141-V223 HydrophobicContact CG1-CG2 4.21Å; I141-F225 HydrophobicContact CG2-CE2 4.08Å; I141-F225 HydrophobicContact CG2-CZ 4.05Å; I141-I294 HydrophobicContact CG2-CG2 4.39Å; I141-M296 HydrophobicContact CB-CE 4.15Å; I141-M296 HydrophobicContact CD1-CE 3.85Å; I141-M296 HydrophobicContact CD1-SD 4.41Å; I141-M296 HydrophobicContact CG1-CE 3.91Å; I141-M296 HydrophobicContact CG2-CE 3.19Å; I141-F301 HydrophobicContact CD1-CD2 4.24Å; I141-F301 HydrophobicContact CD1-CE2 4.12Å; I141-I305 HydrophobicContact CD1-CD1 4.05Å; I141-I305 HydrophobicContact CG1-CD1 4.27Å
142	G	98.5	Very high	94.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	60.8	32.4	-179.1	0	0	0	0	0	113.7	Q144 V223 H293	G142-Q144 PolarHBondContact O-NE2 3.34Å; G142-V223 WeakPolarHBondContact CA-O 3.32Å; G142-V223 PolarHBondContact N-O 3.27Å; G142-H293 PolarHBondContact O-CE1 3.3Å
143	G	98.7	Very high	93.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.105	C	C	.	.			trans	-64	166.4	179.2	0	0	0	0	0	114	S117 S120 S140 I141 S237	S117-G143 WeakPolarHBondContact O-CA 3.36Å; S120-G143 VanDerWaalsContact CB-CA 3.43Å; S140-G143 PolarHBondContact OG-N 3.37Å; I141-G143 VanDerWaalsContact C-N 3.26Å; I141-G143 PolarHBondContact O-N 3.13Å; G143-S237 WeakPolarHBondContact O-CA 3.27Å; G143-S237 PolarHBondContact O-N 3.44Å; G143-S237 PolarHBondContact O-OG 3.3Å
144	Q	98.6	Very high	91.8	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.019	11%	0.108	C	C	.	.			trans	-120.7	72.9	177.1	-51.3	88.3	46	0	0	109.5	S117 G142 Q146 G147 V148 V231 S236	S117-Q144 PolarHBondContact OG-NE2 3.27Å; G142-Q144 PolarHBondContact O-NE2 3.34Å; Q144-Q146 VanDerWaalsContact C-N 3.26Å; Q144-Q146 PolarHBondContact O-N 3.1Å; Q144-G147 PolarHBondContact O-N 3.38Å; Q144-V148 HydrophobicContact CB-CG1 3.94Å; Q144-V148 HydrophobicContact CG-CG1 3.72Å; Q144-V231 HydrophobicContact CG-CB 4.41Å; Q144-V231 HydrophobicContact CG-CG1 3.66Å; Q144-V231 HydrophobicContact CG-CG2 3.83Å; Q144-S236 VanDerWaalsContact C-OG 3.27Å; Q144-S236 WeakPolarHBondContact CA-OG 3.24Å
145	H	98.8	Very high	89.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.6	-168.6	-71.2	-72.9	0	0	0	113.9	R124 S140 N201 F220 S236 F239	R124-H145 WeakPolarHBondContact CD-ND1 3.44Å; R124-H145 PolarHBondContact NE-ND1 3.29Å; R124-H145 VanDerWaalsContact NE-ND1 3.15Å; R124-H145 PolarHBondContact NH2-O 3.11Å; S140-H145 VanDerWaalsContact CB-NE2 3.25Å; S140-H145 WeakPolarHBondContact CB-NE2 3.48Å; S140-H145 PolarHBondContact OG-NE2 2.93Å; H145-N201 PolarHBondContact O-ND2 3.02Å; H145-N201 VanDerWaalsContact O-ND2 3.08Å; H145-N201 PolarHBondContact O-OD1 2.95Å; H145-F220 AromaticContact CE1-CE2 3.94Å; H145-F220 AromaticContact CE1-CZ 3.52Å; H145-F220 AromaticContact ND1-CZ 3.96Å; H145-F220 AromaticContact NE2-CE2 3.99Å; H145-F220 AromaticContact NE2-CZ 3.84Å; H145-S236 PolarHBondContact N-O 2.74Å; H145-S236 PolarHBondContact N-OG 3.4Å; H145-F239 HydrophobicContact CB-CD1 3.59Å; H145-F239 HydrophobicContact CB-CD2 3.6Å; H145-F239 HydrophobicContact CB-CE1 3.59Å; H145-F239 HydrophobicContact CB-CE2 3.57Å; H145-F239 HydrophobicContact CB-CG 3.62Å; H145-F239 HydrophobicContact CB-CZ 3.59Å; H145-F239 AromaticContact CG-CD2 3.9Å; H145-F239 AromaticContact CG-CE2 3.57Å; H145-F239 AromaticContact CG-CZ 3.86Å; H145-F239 AromaticContact ND1-CE2 3.82Å; H145-F239 AromaticContact ND1-CZ 3.87Å
146	Q	98.5	Very high	87.8	Confident	6 Å²	6	27.7 Å²	27.7	3%	0.028	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	10.7	168.7	-73.8	-76.7	12.1	0	0	112.5	Q144 H182 N201 S236 F239 F241	Q144-Q146 VanDerWaalsContact C-N 3.26Å; Q144-Q146 PolarHBondContact O-N 3.1Å; Q146-H182 WeakPolarHBondContact O-CB 3.39Å; Q146-H182 PolarHBondContact O-ND1 3.36Å; Q146-N201 PolarHBondContact OE1-ND2 3.44Å; Q146-S236 PolarHBondContact N-OG 2.98Å; Q146-S236 VanDerWaalsContact N-OG 3.15Å; Q146-F239 HydrophobicContact CG-CD1 4.28Å; Q146-F239 WeakPolarHBondContact CG-O 3.19Å; Q146-F239 PolarHBondContact NE2-O 3.38Å; Q146-F241 HydrophobicContact CB-CB 3.73Å; Q146-F241 HydrophobicContact CB-CD2 3.54Å; Q146-F241 HydrophobicContact CB-CE2 4.37Å; Q146-F241 HydrophobicContact CB-CG 3.77Å; Q146-F241 HydrophobicContact CG-CB 3.95Å
147	G	97.4	Very high	85.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.			trans	76	-161.3	-172.3	0	0	0	0	0	112.9	Q144 Y180 S236	Q144-G147 PolarHBondContact O-N 3.38Å; G147-Y180 CarbonylContact C-O 3.59Å; G147-Y180 WeakPolarHBondContact CA-O 3.32Å; G147-S236 PolarHBondContact N-OG 3.19Å; G147-S236 WeakPolarHBondContact O-CB 3.45Å; G147-S236 PolarHBondContact O-OG 3.49Å
148	V	96.1	Very high	83.6	Confident	20 Å²	20	38.2 Å²	38.2	12%	0.121	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-136.5	151.5	-178.9	-62.9	0	0	0	0	111.8	Q144 Y180 W181 H182 V231 V232	Q144-V148 HydrophobicContact CB-CG1 3.94Å; Q144-V148 HydrophobicContact CG-CG1 3.72Å; V148-Y180 HydrophobicContact CG2-CD2 4.11Å; V148-Y180 HydrophobicContact CG2-CE2 4.13Å; V148-Y180 PolarHBondContact N-O 2.9Å; V148-W181 HydrophobicContact CG2-CE3 4.23Å; V148-H182 PolarHBondContact O-N 3.45Å; V148-V231 HydrophobicContact CG1-CG1 4.26Å; V148-V232 CarbonylContact C-O 3.53Å; V148-V232 WeakPolarHBondContact CA-O 3.22Å
149	F	92.6	Very high	81.3	Confident	5 Å²	5	44.4 Å²	44.4	2%	0.022	23%	0.227	C	C	.	.			trans	-132.4	47.7	171.1	-167.3	-118.5	0	0	0	111.4	W181 H182 D183 P184 L185 V232 F241 F242 E247	F149-W181 AromaticContact CD2-CE2 3.74Å; F149-W181 AromaticContact CD2-CH2 3.71Å; F149-W181 HydrophobicContact CD2-CH2 3.71Å; F149-W181 AromaticContact CD2-CZ2 3.25Å; F149-W181 HydrophobicContact CD2-CZ2 3.25Å; F149-W181 HydrophobicContact CE2-CH2 4.15Å; F149-W181 AromaticContact CE2-CZ2 3.4Å; F149-W181 HydrophobicContact CE2-CZ2 3.4Å; F149-W181 HydrophobicContact CG-CH2 4.36Å; F149-W181 HydrophobicContact CG-CZ2 4.3Å; F149-H182 WeakPolarHBondContact CB-O 3.47Å; F149-H182 WeakPolarHBondContact CD2-O 3.39Å; F149-D183 HydrophobicContact CD2-CB 4.26Å; F149-D183 HydrophobicContact CE2-CB 3.91Å; F149-D183 VanDerWaalsContact CE2-CG 3.42Å; F149-D183 VanDerWaalsContact CE2-OD1 3.24Å; F149-D183 WeakPolarHBondContact CE2-OD1 3.39Å; F149-D183 WeakPolarHBondContact CZ-OD1 3.32Å; F149-P184 HydrophobicContact CB-CG 4.43Å; F149-P184 VanDerWaalsContact CD1-CD 3.46Å; F149-P184 HydrophobicContact CD1-CG 3.67Å; F149-P184 VanDerWaalsContact CD2-CD 3.41Å; F149-P184 HydrophobicContact CD2-CG 4.49Å; F149-P184 HydrophobicContact CE1-CG 3.96Å; F149-P184 HydrophobicContact CG-CG 3.95Å; F149-P184 HydrophobicContact CZ-CG 4.49Å; F149-L185 HydrophobicContact CE1-CD1 4.18Å; F149-L185 HydrophobicContact CE1-CG 4.15Å; F149-L185 HydrophobicContact CZ-CD1 3.87Å; F149-L185 HydrophobicContact CZ-CG 3.96Å; F149-V232 PolarHBondContact N-O 3.25Å; F149-F241 HydrophobicContact CB-CZ 3.99Å; F149-F242 HydrophobicContact CB-CD2 4.04Å; F149-F242 HydrophobicContact CB-CE2 4.04Å; F149-F242 HydrophobicContact CD1-CD2 4.32Å; F149-F242 HydrophobicContact CD1-CE2 4.3Å; F149-E247 HydrophobicContact CD1-CB 3.95Å; F149-E247 HydrophobicContact CE1-CB 3.76Å; F149-E247 HydrophobicContact CE1-CG 4.44Å; F149-E247 VanDerWaalsContact CE1-OE2 3.24Å; F149-E247 WeakPolarHBondContact CE1-OE2 3.41Å
150	G	83.1	Confident	79.4	Confident	8 Å²	8	45.1 Å²	45.1	8%	0.082	23%	0.232	C	C	.	.	S	Bend	trans	-161	160.3	177.2	0	0	0	0	0	113.7
151	I	75.6	Confident	77.6	Confident	39 Å²	39	48.8 Å²	48.8	20%	0.2	25%	0.249	C	C	.	.			trans	-96.9	130.3	173.2	-60	168.9	0	0	0	105.9	R153 C154 C160 V163 R164	I151-R153 PolarHBondContact O-N 2.85Å; I151-C154 HydrophobicContact CB-CB 4.18Å; I151-C154 WeakPolarHBondContact O-CB 3.5Å; I151-C154 PolarHBondContact O-N 2.78Å; I151-C154 VanDerWaalsContact O-N 3.13Å; I151-C160 HydrophobicContact CD1-CB 4.12Å; I151-V163 HydrophobicContact CD1-CB 3.4Å; I151-V163 VanDerWaalsContact CD1-CB 3.4Å; I151-V163 HydrophobicContact CD1-CG1 3.36Å; I151-V163 HydrophobicContact CG1-CG1 4.41Å; I151-R164 HydrophobicContact CD1-CG 4Å; I151-R164 HydrophobicContact CG1-CG 4.06Å
152	P	73.8	Confident	75.6	Confident	55 Å²	55	52.8 Å²	52.8	36%	0.357	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	136.7	179.7	-30.2	35.5	0	0	0	112.3	C154 M230	P152-C154 PolarHBondContact O-N 2.9Å; P152-C154 VanDerWaalsContact O-N 3.09Å; P152-M230 HydrophobicContact CB-CE 3.66Å; P152-M230 HydrophobicContact CB-SD 3.73Å; P152-M230 HydrophobicContact CG-CE 3.95Å
153	R	64.9	Low	73.8	Confident	162 Å²	162	55.6 Å²	55.6	61%	0.611	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	22.7	177.9	-58.2	-177.1	171.4	172	-1.3	115.2	I151 T229 M230 D292	I151-R153 PolarHBondContact O-N 2.85Å; R153-T229 PolarHBondContact N-O 3.13Å; R153-M230 HydrophobicContact CG-SD 4.41Å; R153-D292 IonicContact NH2-OD2 2.71Å
154	C	63.3	Low	72.1	Confident	20 Å²	20	56.7 Å²	56.7	14%	0.135	29%	0.294	C	S	.	.			trans	-104	104.4	175.1	-160.8	0	0	0	0	114.2	I151 P152 G156 S157 C160	I151-C154 HydrophobicContact CB-CB 4.18Å; I151-C154 WeakPolarHBondContact O-CB 3.5Å; I151-C154 PolarHBondContact O-N 2.78Å; I151-C154 VanDerWaalsContact O-N 3.13Å; P152-C154 PolarHBondContact O-N 2.9Å; P152-C154 VanDerWaalsContact O-N 3.09Å; C154-G156 PolarHBondContact O-N 2.66Å; C154-S157 PolarHBondContact SG-OG 2.96Å; C154-S157 VanDerWaalsContact SG-OG 3.33Å; C154-C160 HydrophobicContact CB-CB 3.63Å; C154-C160 WeakPolarHBondContact CB-SG 3.29Å; C154-C160 WeakPolarHBondContact SG-CB 3.35Å; C154-C160 CovalentContact SG-SG 1.95Å; C154-C160 PolarHBondContact SG-SG 2.85Å
155	N	57.9	Low	70.3	Confident	162 Å²	162	62 Å²	62	87%	0.866	32%	0.319	S	S	*	.			trans	-78.7	51.6	-179.3	-63.8	-7.5	0	0	0	113	S157	N155-S157 VanDerWaalsContact C-N 3.29Å; N155-S157 PolarHBondContact O-N 3.09Å
156	G	52.7	Low	68.4	Low	42 Å²	42	67.2 Å²	67.2	43%	0.433	35%	0.346	S	S	.	.	S	Bend	trans	67.7	23.6	174.6	0	0	0	0	0	114.8	C154 H161	C154-G156 PolarHBondContact O-N 2.66Å; G156-H161 PolarHBondContact O-NE2 3.13Å
157	S	53	Low	66.7	Low	52 Å²	52	70.2 Å²	70.2	36%	0.364	36%	0.362	S	S	.	.			trans	-63.8	145.7	174.1	80.4	0	0	0	0	110.4	C154 N155 I159 C160 H161	C154-S157 PolarHBondContact SG-OG 2.96Å; C154-S157 VanDerWaalsContact SG-OG 3.33Å; N155-S157 VanDerWaalsContact C-N 3.29Å; N155-S157 PolarHBondContact O-N 3.09Å; S157-I159 PolarHBondContact O-N 3.48Å; S157-I159 VanDerWaalsContact O-N 3.1Å; S157-C160 WeakPolarHBondContact O-CB 3.42Å; S157-C160 PolarHBondContact O-N 2.93Å; S157-C160 PolarHBondContact OG-N 3.23Å; S157-C160 PolarHBondContact OG-SG 2.91Å; S157-H161 PolarHBondContact O-CD2 3Å; S157-H161 PolarHBondContact O-N 3.39Å
158	R	56	Low	65	Low	225 Å²	225	72.6 Å²	72.6	85%	0.849	38%	0.375	S	S	*	.	H	α-helix	trans	-49.9	-37.5	177.2	-96.7	-177.7	162.6	-171.7	-4.7	112.9	C160 H161 V162	R158-C160 VanDerWaalsContact C-N 3.27Å; R158-C160 PolarHBondContact O-N 3.45Å; R158-H161 PolarHBondContact O-N 2.94Å; R158-V162 WeakPolarHBondContact O-CG2 3.48Å; R158-V162 PolarHBondContact O-N 3.47Å; R158-V162 VanDerWaalsContact O-N 3.09Å
159	I	51.8	Low	63.2	Low	130 Å²	130	77.7 Å²	77.7	67%	0.667	40%	0.397	S	S	*	.	H	α-helix	trans	-61.4	-39.8	178.7	-68.6	162.8	0	0	0	110.6	S157 V162 V163	S157-I159 PolarHBondContact O-N 3.48Å; S157-I159 VanDerWaalsContact O-N 3.1Å; I159-V162 WeakPolarHBondContact O-CB 3.29Å; I159-V162 PolarHBondContact O-N 2.87Å; I159-V163 WeakPolarHBondContact O-CG2 3.42Å; I159-V163 PolarHBondContact O-N 2.72Å
160	C	59	Low	61.3	Low	14 Å²	14	79.5 Å²	79.5	10%	0.095	42%	0.417	C	S	.	.	H	α-helix	trans	-73.7	-34.6	179.6	-63.2	0	0	0	0	112.7	I151 C154 S157 R158 V162 V163 R164	I151-C160 HydrophobicContact CD1-CB 4.12Å; C154-C160 HydrophobicContact CB-CB 3.63Å; C154-C160 WeakPolarHBondContact CB-SG 3.29Å; C154-C160 WeakPolarHBondContact SG-CB 3.35Å; C154-C160 CovalentContact SG-SG 1.95Å; C154-C160 PolarHBondContact SG-SG 2.85Å; S157-C160 WeakPolarHBondContact O-CB 3.42Å; S157-C160 PolarHBondContact O-N 2.93Å; S157-C160 PolarHBondContact OG-N 3.23Å; S157-C160 PolarHBondContact OG-SG 2.91Å; R158-C160 VanDerWaalsContact C-N 3.27Å; R158-C160 PolarHBondContact O-N 3.45Å; C160-V162 VanDerWaalsContact C-N 3.25Å; C160-V162 PolarHBondContact O-N 2.83Å; C160-V163 PolarHBondContact O-N 2.99Å; C160-R164 WeakPolarHBondContact O-CB 3.32Å; C160-R164 WeakPolarHBondContact O-CG 3.37Å; C160-R164 PolarHBondContact O-N 3.44Å
161	H	61	Low	59.7	Low	77 Å²	77	81.5 Å²	81.5	36%	0.356	43%	0.433	S	S	.	.	H	α-helix	trans	-59.1	-40.6	169.4	-70.7	-75.4	0	0	0	111.3	G156 S157 R158 R164 H165 E247	G156-H161 PolarHBondContact O-NE2 3.13Å; S157-H161 PolarHBondContact O-CD2 3Å; S157-H161 PolarHBondContact O-N 3.39Å; R158-H161 PolarHBondContact O-N 2.94Å; H161-R164 PolarHBondContact O-N 2.74Å; H161-H165 WeakPolarHBondContact O-CB 3.44Å; H161-H165 PolarHBondContact O-N 3.2Å; H161-E247 IonicContact CE1-OE1 3.75Å; H161-E247 PolarHBondContact CE1-OE1 2.92Å; H161-E247 IonicContact ND1-OE1 3.56Å
162	V	55.7	Low	58.5	Low	87 Å²	87	88.4 Å²	88.4	53%	0.527	46%	0.458	S	S	.	.	H	α-helix	trans	-64.2	-47	175.4	174.6	0	0	0	0	111.6	R158 I159 C160 R164 H165 L166	R158-V162 WeakPolarHBondContact O-CG2 3.48Å; R158-V162 PolarHBondContact O-N 3.47Å; R158-V162 VanDerWaalsContact O-N 3.09Å; I159-V162 WeakPolarHBondContact O-CB 3.29Å; I159-V162 PolarHBondContact O-N 2.87Å; C160-V162 VanDerWaalsContact C-N 3.25Å; C160-V162 PolarHBondContact O-N 2.83Å; V162-R164 PolarHBondContact O-N 2.74Å; V162-H165 CarbonylContact O-C 3.34Å; V162-H165 PolarHBondContact O-N 2.71Å; V162-H165 VanDerWaalsContact O-N 3.17Å; V162-L166 HydrophobicContact CG1-CD1 4.07Å; V162-L166 HydrophobicContact CG1-CG 4.37Å; V162-L166 WeakPolarHBondContact O-CG 3.31Å; V162-L166 PolarHBondContact O-N 3.07Å
163	V	61.1	Low	57.6	Low	59 Å²	59	89.6 Å²	89.6	36%	0.358	46%	0.464	S	S	.	.	H	α-helix	trans	-65.7	-39.2	179.3	176	0	0	0	0	111.5	I151 I159 C160 H165 L166 L167	I151-V163 HydrophobicContact CD1-CB 3.4Å; I151-V163 VanDerWaalsContact CD1-CB 3.4Å; I151-V163 HydrophobicContact CD1-CG1 3.36Å; I151-V163 HydrophobicContact CG1-CG1 4.41Å; I159-V163 WeakPolarHBondContact O-CG2 3.42Å; I159-V163 PolarHBondContact O-N 2.72Å; C160-V163 PolarHBondContact O-N 2.99Å; V163-H165 VanDerWaalsContact C-N 3.3Å; V163-H165 PolarHBondContact O-N 3.09Å; V163-L166 PolarHBondContact O-N 3.08Å; V163-L167 HydrophobicContact CG1-CD1 4.28Å; V163-L167 HydrophobicContact CG1-CG 4.48Å; V163-L167 WeakPolarHBondContact O-CG 3.35Å; V163-L167 PolarHBondContact O-N 3.36Å
164	R	62.9	Low	58	Low	23 Å²	23	85.5 Å²	85.5	9%	0.087	46%	0.458	C	S	.	.	H	α-helix	trans	-57.3	-45.8	171.2	-70.5	-177.8	-172.7	178.4	-4.7	110.8	I151 C160 H161 V162 L166 L167 N168 W181 E247	I151-R164 HydrophobicContact CD1-CG 4Å; I151-R164 HydrophobicContact CG1-CG 4.06Å; C160-R164 WeakPolarHBondContact O-CB 3.32Å; C160-R164 WeakPolarHBondContact O-CG 3.37Å; C160-R164 PolarHBondContact O-N 3.44Å; H161-R164 PolarHBondContact O-N 2.74Å; V162-R164 PolarHBondContact O-N 2.74Å; R164-L166 VanDerWaalsContact C-N 3.35Å; R164-L166 PolarHBondContact O-N 3.4Å; R164-L167 WeakPolarHBondContact O-CB 3.23Å; R164-L167 PolarHBondContact O-N 3.16Å; R164-N168 PolarHBondContact O-N 3.19Å; R164-N168 VanDerWaalsContact O-N 3.08Å; R164-N168 PolarHBondContact O-OD1 2.66Å; R164-W181 HydrophobicContact CB-CH2 4.15Å; R164-W181 HydrophobicContact CB-CZ2 4.21Å; R164-W181 HydrophobicContact CG-CH2 3.8Å; R164-W181 HydrophobicContact CG-CZ2 4.35Å; R164-E247 IonicContact NH1-OE2 2.72Å; R164-E247 PolarHBondContact NH1-OE2 2.8Å
165	H	61.2	Low	59.2	Low	115 Å²	115	86.6 Å²	86.6	53%	0.532	46%	0.462	S	S	.	.	H	α-helix	trans	-67.4	-33.4	178.8	-156.9	53.8	0	0	0	113.1	H161 V162 V163 N168 H169	H161-H165 WeakPolarHBondContact O-CB 3.44Å; H161-H165 PolarHBondContact O-N 3.2Å; V162-H165 CarbonylContact O-C 3.34Å; V162-H165 PolarHBondContact O-N 2.71Å; V162-H165 VanDerWaalsContact O-N 3.17Å; V163-H165 VanDerWaalsContact C-N 3.3Å; V163-H165 PolarHBondContact O-N 3.09Å; H165-N168 WeakPolarHBondContact O-CB 3.49Å; H165-N168 PolarHBondContact O-N 2.93Å; H165-H169 AromaticContact CE1-CE1 3.67Å; H165-H169 AromaticContact NE2-CE1 3.69Å; H165-H169 PolarHBondContact O-ND1 3.42Å
166	L	59.3	Low	60.8	Low	110 Å²	110	78.9 Å²	78.9	58%	0.576	42%	0.421	S	S	*	.	H	α-helix	trans	-69.7	-37.6	172.8	-71.9	173	0	0	0	111.8	V162 V163 R164 N168 H169 G170	V162-L166 HydrophobicContact CG1-CD1 4.07Å; V162-L166 HydrophobicContact CG1-CG 4.37Å; V162-L166 WeakPolarHBondContact O-CG 3.31Å; V162-L166 PolarHBondContact O-N 3.07Å; V163-L166 PolarHBondContact O-N 3.08Å; R164-L166 VanDerWaalsContact C-N 3.35Å; R164-L166 PolarHBondContact O-N 3.4Å; L166-N168 VanDerWaalsContact C-N 3.25Å; L166-N168 PolarHBondContact O-N 3.45Å; L166-H169 CarbonylContact O-C 3.6Å; L166-H169 PolarHBondContact O-N 2.96Å; L166-H169 VanDerWaalsContact O-N 3.08Å; L166-G170 WeakPolarHBondContact O-CA 3.5Å; L166-G170 PolarHBondContact O-N 3.46Å
167	L	63.3	Low	62.7	Low	69 Å²	69	79 Å²	79	36%	0.361	41%	0.41	S	S	.	.	H	α-helix	trans	-62.2	-34.5	173.1	-71.7	169.5	0	0	0	111.5	V163 R164 H169 G170	V163-L167 HydrophobicContact CG1-CD1 4.28Å; V163-L167 HydrophobicContact CG1-CG 4.48Å; V163-L167 WeakPolarHBondContact O-CG 3.35Å; V163-L167 PolarHBondContact O-N 3.36Å; R164-L167 WeakPolarHBondContact O-CB 3.23Å; R164-L167 PolarHBondContact O-N 3.16Å; L167-H169 PolarHBondContact O-N 2.85Å; L167-G170 PolarHBondContact O-N 3.4Å
168	N	59.9	Low	64.5	Low	50 Å²	50	77.8 Å²	77.8	27%	0.267	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-27.1	173.5	-67.4	-4.7	0	0	0	113.4	R164 H165 L166 W181 D183	R164-N168 PolarHBondContact O-N 3.19Å; R164-N168 VanDerWaalsContact O-N 3.08Å; R164-N168 PolarHBondContact O-OD1 2.66Å; H165-N168 WeakPolarHBondContact O-CB 3.49Å; H165-N168 PolarHBondContact O-N 2.93Å; L166-N168 VanDerWaalsContact C-N 3.25Å; L166-N168 PolarHBondContact O-N 3.45Å; N168-W181 PolarHBondContact OD1-NE1 3.22Å; N168-D183 PolarHBondContact ND2-OD2 2.63Å; N168-D183 PolarHBondContact OD1-OD2 3.31Å
169	H	58.5	Low	66.4	Low	127 Å²	127	67.5 Å²	67.5	59%	0.588	37%	0.365	S	S	*	.	H	α-helix	trans	-105.3	-16.9	-177.7	-66.4	82.5	0	0	0	113.6	H165 L166 L167	H165-H169 AromaticContact CE1-CE1 3.67Å; H165-H169 AromaticContact NE2-CE1 3.69Å; H165-H169 PolarHBondContact O-ND1 3.42Å; L166-H169 CarbonylContact O-C 3.6Å; L166-H169 PolarHBondContact O-N 2.96Å; L166-H169 VanDerWaalsContact O-N 3.08Å; L167-H169 PolarHBondContact O-N 2.85Å
170	G	52.6	Low	68.5	Low	44 Å²	44	61.8 Å²	61.8	45%	0.454	34%	0.335	S	S	.	.	H	α-helix	trans	-111.7	10.4	-166.6	0	0	0	0	0	116.5	L166 L167 Y172	L166-G170 WeakPolarHBondContact O-CA 3.5Å; L166-G170 PolarHBondContact O-N 3.46Å; L167-G170 PolarHBondContact O-N 3.4Å; G170-Y172 PolarHBondContact O-N 2.95Å
171	A	50.6	Low	70.2	Confident	49 Å²	49	62.8 Å²	62.8	41%	0.405	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	22.3	-175.2	0	0	0	0	0	116.1	A178	A171-A178 HydrophobicContact CB-CB 3.8Å
172	Y	49.9	Very low	71.9	Confident	185 Å²	185	59.3 Å²	59.3	73%	0.725	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	5.4	-174.9	-60.4	-66.2	0	0	0	115.2	G170	G170-Y172 PolarHBondContact O-N 2.95Å
173	V	55.4	Low	73.7	Confident	79 Å²	79	55.9 Å²	55.9	48%	0.479	30%	0.3	S	S	.	.	S	Bend	trans	-89.1	142.7	156.4	179.6	0	0	0	0	106.1	I175	V173-I175 HydrophobicContact CB-CD1 3.99Å; V173-I175 HydrophobicContact CB-CG1 3.9Å; V173-I175 HydrophobicContact CG1-CD1 4.43Å; V173-I175 HydrophobicContact CG1-CG1 3.96Å; V173-I175 PolarHBondContact O-N 3.03Å
174	P	73.5	Confident	75.4	Confident	77 Å²	77	53.1 Å²	53.1	50%	0.5	28%	0.283	S	S	.	.			trans	-68.5	76.8	178.4	30.1	-36	0	0	0	109.7	F87 G88	F87-P174 CarbonylContact C-O 3.56Å; F87-P174 WeakPolarHBondContact CA-O 3.31Å; G88-P174 PolarHBondContact N-O 3.38Å
175	I	87.4	Confident	76.9	Confident	42 Å²	42	56.4 Å²	56.4	22%	0.215	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-94.3	125.7	-179.8	-64.6	169.5	0	0	0	106.3	V173 Q177 A178 Q179	V173-I175 HydrophobicContact CB-CD1 3.99Å; V173-I175 HydrophobicContact CB-CG1 3.9Å; V173-I175 HydrophobicContact CG1-CD1 4.43Å; V173-I175 HydrophobicContact CG1-CG1 3.96Å; V173-I175 PolarHBondContact O-N 3.03Å; I175-Q177 VanDerWaalsContact C-N 3.29Å; I175-Q177 HydrophobicContact CG2-CB 4.11Å; I175-Q177 PolarHBondContact O-N 3.31Å; I175-A178 HydrophobicContact CB-CB 4.15Å; I175-A178 HydrophobicContact CG2-CB 4.38Å; I175-A178 PolarHBondContact O-N 3.28Å; I175-Q179 PolarHBondContact O-NE2 3.39Å; I175-Q179 VanDerWaalsContact O-NE2 3.13Å
176	V	92	Very high	78.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-42.8	-178.7	167.2	0	0	0	0	110.5	Y86 V90 F122 A178 Q179 Y180	Y86-V176 PolarHBondContact O-N 3.13Å; V90-V176 HydrophobicContact CG2-CB 4.36Å; V90-V176 HydrophobicContact CG2-CG1 3.82Å; V90-V176 HydrophobicContact CG2-CG2 4.24Å; F122-V176 HydrophobicContact CE2-CG1 4.16Å; F122-V176 HydrophobicContact CZ-CG1 3.6Å; V176-A178 VanDerWaalsContact C-N 3.29Å; V176-A178 PolarHBondContact O-N 2.89Å; V176-Q179 WeakPolarHBondContact O-CB 3.22Å; V176-Q179 PolarHBondContact O-N 2.95Å; V176-Q179 VanDerWaalsContact O-N 3.09Å; V176-Y180 HydrophobicContact CG1-CE1 3.95Å; V176-Y180 VanDerWaalsContact O-CD1 3.32Å; V176-Y180 WeakPolarHBondContact O-CD1 3.38Å; V176-Y180 VanDerWaalsContact O-CE1 3.23Å; V176-Y180 WeakPolarHBondContact O-CE1 3.35Å
177	Q	92.3	Very high	80.2	Confident	44 Å²	44	50.4 Å²	50.4	21%	0.206	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-63.8	-32.3	-178.5	-64.8	62.1	48.6	0	0	112.8	M43 S85 Y86 I175 Q179 Y180 W181	M43-Q177 VanDerWaalsContact SD-CD 3.59Å; M43-Q177 HydrophobicContact SD-CG 3.68Å; M43-Q177 PolarHBondContact SD-NE2 3.06Å; S85-Q177 PolarHBondContact O-NE2 2.97Å; Y86-Q177 PolarHBondContact O-OE1 2.99Å; I175-Q177 VanDerWaalsContact C-N 3.29Å; I175-Q177 HydrophobicContact CG2-CB 4.11Å; I175-Q177 PolarHBondContact O-N 3.31Å; Q177-Q179 PolarHBondContact O-N 3.08Å; Q177-Y180 WeakPolarHBondContact CG-OH 3.43Å; Q177-Y180 PolarHBondContact O-N 3.12Å; Q177-W181 PolarHBondContact O-N 3.46Å
178	A	91.1	Very high	81.7	Confident	27 Å²	27	50.4 Å²	50.4	22%	0.223	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-68.4	-25.3	177.6	0	0	0	0	0	112.5	A171 I175 V176 Y180 W181	A171-A178 HydrophobicContact CB-CB 3.8Å; I175-A178 HydrophobicContact CB-CB 4.15Å; I175-A178 HydrophobicContact CG2-CB 4.38Å; I175-A178 PolarHBondContact O-N 3.28Å; V176-A178 VanDerWaalsContact C-N 3.29Å; V176-A178 PolarHBondContact O-N 2.89Å; A178-Y180 PolarHBondContact O-N 2.72Å; A178-W181 PolarHBondContact O-N 2.73Å
179	Q	95.3	Very high	83.4	Confident	10 Å²	10	50.4 Å²	50.4	5%	0.047	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-76.5	-12.3	-177.1	-66.3	170.5	62.6	0	0	113.1	G88 V90 I175 V176 Q177 I195 F196 I197	G88-Q179 PolarHBondContact O-NE2 2.84Å; V90-Q179 HydrophobicContact CG2-CB 4.34Å; I175-Q179 PolarHBondContact O-NE2 3.39Å; I175-Q179 VanDerWaalsContact O-NE2 3.13Å; V176-Q179 WeakPolarHBondContact O-CB 3.22Å; V176-Q179 PolarHBondContact O-N 2.95Å; V176-Q179 VanDerWaalsContact O-N 3.09Å; Q177-Q179 PolarHBondContact O-N 3.08Å; Q179-I195 HydrophobicContact CG-CD1 3.99Å; Q179-I195 HydrophobicContact CG-CG1 3.87Å; Q179-F196 HydrophobicContact CB-CB 3.89Å; Q179-F196 WeakPolarHBondContact O-CB 3.33Å; Q179-I197 PolarHBondContact O-N 2.85Å; Q179-I197 VanDerWaalsContact O-N 3.09Å
180	Y	96.2	Very high	85.1	Confident	10 Å²	10	44.9 Å²	44.9	4%	0.039	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-127	22.8	169.1	59.2	-93.1	0	0	0	112.9	Q118 F122 G147 V148 V176 Q177 A178	Q118-Y180 HydrophobicContact CB-CE1 4.3Å; Q118-Y180 PolarHBondContact OE1-OH 3.19Å; F122-Y180 HydrophobicContact CE1-CD1 4.21Å; F122-Y180 HydrophobicContact CE1-CE1 4.31Å; F122-Y180 HydrophobicContact CZ-CD1 4.47Å; F122-Y180 HydrophobicContact CZ-CE1 4.14Å; G147-Y180 CarbonylContact C-O 3.59Å; G147-Y180 WeakPolarHBondContact CA-O 3.32Å; V148-Y180 HydrophobicContact CG2-CD2 4.11Å; V148-Y180 HydrophobicContact CG2-CE2 4.13Å; V148-Y180 PolarHBondContact N-O 2.9Å; V176-Y180 HydrophobicContact CG1-CE1 3.95Å; V176-Y180 VanDerWaalsContact O-CD1 3.32Å; V176-Y180 WeakPolarHBondContact O-CD1 3.38Å; V176-Y180 VanDerWaalsContact O-CE1 3.23Å; V176-Y180 WeakPolarHBondContact O-CE1 3.35Å; Q177-Y180 WeakPolarHBondContact CG-OH 3.43Å; Q177-Y180 PolarHBondContact O-N 3.12Å; A178-Y180 PolarHBondContact O-N 2.72Å
181	W	94.9	Very high	87.1	Confident	34 Å²	34	45.7 Å²	45.7	13%	0.129	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-70.4	128.2	162.6	-176.3	-103	0	0	0	109.1	V148 F149 R164 N168 Q177 A178	V148-W181 HydrophobicContact CG2-CE3 4.23Å; F149-W181 AromaticContact CD2-CE2 3.74Å; F149-W181 AromaticContact CD2-CH2 3.71Å; F149-W181 HydrophobicContact CD2-CH2 3.71Å; F149-W181 AromaticContact CD2-CZ2 3.25Å; F149-W181 HydrophobicContact CD2-CZ2 3.25Å; F149-W181 HydrophobicContact CE2-CH2 4.15Å; F149-W181 AromaticContact CE2-CZ2 3.4Å; F149-W181 HydrophobicContact CE2-CZ2 3.4Å; F149-W181 HydrophobicContact CG-CH2 4.36Å; F149-W181 HydrophobicContact CG-CZ2 4.3Å; R164-W181 HydrophobicContact CB-CH2 4.15Å; R164-W181 HydrophobicContact CB-CZ2 4.21Å; R164-W181 HydrophobicContact CG-CH2 3.8Å; R164-W181 HydrophobicContact CG-CZ2 4.35Å; N168-W181 PolarHBondContact OD1-NE1 3.22Å; Q177-W181 PolarHBondContact O-N 3.46Å; A178-W181 PolarHBondContact O-N 2.73Å
182	H	96	Very high	89.2	Confident	5 Å²	5	50.2 Å²	50.2	2%	0.023	26%	0.263	C	S	.	.			trans	-128.3	103.2	-178.5	-178.4	176.4	0	0	0	107.6	Q146 V148 F149 P184 E187 Y190 F241	Q146-H182 WeakPolarHBondContact O-CB 3.39Å; Q146-H182 PolarHBondContact O-ND1 3.36Å; V148-H182 PolarHBondContact O-N 3.45Å; F149-H182 WeakPolarHBondContact CB-O 3.47Å; F149-H182 WeakPolarHBondContact CD2-O 3.39Å; H182-P184 VanDerWaalsContact O-CD 3.23Å; H182-P184 WeakPolarHBondContact O-CD 3.34Å; H182-E187 IonicContact CD2-OE1 3.66Å; H182-E187 IonicContact CE1-OE1 3.86Å; H182-E187 IonicContact NE2-OE1 2.71Å; H182-E187 PolarHBondContact NE2-OE1 2.81Å; H182-E187 IonicContact NE2-OE2 2.92Å; H182-Y190 HydrophobicContact CB-CD2 4.15Å; H182-Y190 HydrophobicContact CB-CE2 3.85Å; H182-Y190 AromaticContact CD2-CD1 3.34Å; H182-Y190 WeakPolarHBondContact CD2-CD1 3.39Å; H182-Y190 AromaticContact CD2-CD2 3.8Å; H182-Y190 AromaticContact CD2-CE1 3.37Å; H182-Y190 WeakPolarHBondContact CD2-CE1 3.29Å; H182-Y190 AromaticContact CD2-CE2 3.8Å; H182-Y190 AromaticContact CD2-CG 3.57Å; H182-Y190 AromaticContact CD2-CZ 3.6Å; H182-Y190 AromaticContact CE1-CE1 3.68Å; H182-Y190 AromaticContact CE1-CZ 3.89Å; H182-Y190 AromaticContact CG-CE1 3.91Å; H182-Y190 AromaticContact CG-CE2 3.74Å; H182-Y190 AromaticContact CG-CZ 3.65Å; H182-Y190 AromaticContact ND1-CZ 3.84Å; H182-Y190 AromaticContact NE2-CD1 3.43Å; H182-Y190 WeakPolarHBondContact NE2-CD1 3.29Å; H182-Y190 AromaticContact NE2-CE1 3.2Å; H182-Y190 WeakPolarHBondContact NE2-CE1 3.45Å; H182-Y190 AromaticContact NE2-CZ 3.74Å; H182-F241 HydrophobicContact CB-CE1 3.85Å; H182-F241 HydrophobicContact CB-CE2 4.33Å; H182-F241 HydrophobicContact CB-CZ 3.56Å; H182-F241 AromaticContact CD2-CE1 3.66Å; H182-F241 AromaticContact CE1-CD1 3.51Å; H182-F241 AromaticContact CE1-CE1 3.63Å; H182-F241 AromaticContact CG-CE1 3.32Å; H182-F241 AromaticContact CG-CZ 3.57Å; H182-F241 AromaticContact ND1-CD1 3.5Å; H182-F241 WeakPolarHBondContact ND1-CD1 3.24Å; H182-F241 AromaticContact ND1-CE1 3.29Å; H182-F241 VanDerWaalsContact ND1-CE1 3.29Å; H182-F241 WeakPolarHBondContact ND1-CE1 3.46Å; H182-F241 AromaticContact ND1-CZ 3.67Å; H182-F241 AromaticContact NE2-CE1 3.85Å; H182-F241 WeakPolarHBondContact O-CZ 3.01Å
183	D	95.1	Very high	91.3	Very high	15 Å²	15	46.9 Å²	46.9	8%	0.08	25%	0.252	C	S	.	.			trans	-86.2	105.9	179.6	-169.1	-19.9	0	0	0	110	F149 N168 L185 D186 E187	F149-D183 HydrophobicContact CD2-CB 4.26Å; F149-D183 HydrophobicContact CE2-CB 3.91Å; F149-D183 VanDerWaalsContact CE2-CG 3.42Å; F149-D183 VanDerWaalsContact CE2-OD1 3.24Å; F149-D183 WeakPolarHBondContact CE2-OD1 3.39Å; F149-D183 WeakPolarHBondContact CZ-OD1 3.32Å; N168-D183 PolarHBondContact ND2-OD2 2.63Å; N168-D183 PolarHBondContact OD1-OD2 3.31Å; D183-L185 PolarHBondContact O-N 3.22Å; D183-L185 WeakPolarHBondContact OD1-CA 3.27Å; D183-L185 WeakPolarHBondContact OD1-CB 3.28Å; D183-L185 PolarHBondContact OD1-N 2.93Å; D183-D186 CarbonylContact O-C 3.37Å; D183-D186 PolarHBondContact O-N 2.75Å; D183-D186 PolarHBondContact OD1-N 3.34Å; D183-E187 PolarHBondContact O-N 2.76Å
184	P	95.9	Very high	93.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.9	178.6	34	-36.6	0	0	0	111.7	F149 H182 F241 F242 G245 Q246	F149-P184 HydrophobicContact CB-CG 4.43Å; F149-P184 VanDerWaalsContact CD1-CD 3.46Å; F149-P184 HydrophobicContact CD1-CG 3.67Å; F149-P184 VanDerWaalsContact CD2-CD 3.41Å; F149-P184 HydrophobicContact CD2-CG 4.49Å; F149-P184 HydrophobicContact CE1-CG 3.96Å; F149-P184 HydrophobicContact CG-CG 3.95Å; F149-P184 HydrophobicContact CZ-CG 4.49Å; H182-P184 VanDerWaalsContact O-CD 3.23Å; H182-P184 WeakPolarHBondContact O-CD 3.34Å; P184-F241 HydrophobicContact CB-CE1 4.22Å; P184-F241 HydrophobicContact CG-CE1 4.46Å; P184-F242 HydrophobicContact CB-CB 3.77Å; P184-F242 HydrophobicContact CG-CB 3.84Å; P184-F242 HydrophobicContact CG-CD2 4.1Å; P184-F242 HydrophobicContact CG-CG 4.29Å; P184-G245 WeakPolarHBondContact O-CA 3.34Å; P184-G245 PolarHBondContact O-N 3.29Å; P184-Q246 WeakPolarHBondContact CB-O 3.3Å; P184-Q246 WeakPolarHBondContact CG-O 3.42Å
185	L	95.6	Very high	94.3	Very high	93 Å²	93	44.1 Å²	44.1	49%	0.487	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-25.2	178.7	-50	-178.5	0	0	0	111.8	F149 D183 E247	F149-L185 HydrophobicContact CE1-CD1 4.18Å; F149-L185 HydrophobicContact CE1-CG 4.15Å; F149-L185 HydrophobicContact CZ-CD1 3.87Å; F149-L185 HydrophobicContact CZ-CG 3.96Å; D183-L185 PolarHBondContact O-N 3.22Å; D183-L185 WeakPolarHBondContact OD1-CA 3.27Å; D183-L185 WeakPolarHBondContact OD1-CB 3.28Å; D183-L185 PolarHBondContact OD1-N 2.93Å; L185-E247 HydrophobicContact CD2-CB 4.44Å
186	D	95	Very high	94.8	Very high	70 Å²	70	42.1 Å²	42.1	37%	0.374	22%	0.22	S	C	.	.			trans	-136.2	66.6	177.4	-163.1	-16.9	0	0	0	111.6	D183 A188 V189 Y190	D183-D186 CarbonylContact O-C 3.37Å; D183-D186 PolarHBondContact O-N 2.75Å; D183-D186 PolarHBondContact OD1-N 3.34Å; D186-A188 PolarHBondContact O-N 3.37Å; D186-V189 HydrophobicContact CB-CB 4.34Å; D186-V189 VanDerWaalsContact CG-CG2 3.43Å; D186-V189 PolarHBondContact O-N 3.43Å; D186-V189 WeakPolarHBondContact OD1-CB 3.32Å; D186-V189 WeakPolarHBondContact OD1-CG2 3.47Å; D186-V189 PolarHBondContact OD1-N 3.44Å; D186-V189 VanDerWaalsContact OD1-N 3.08Å; D186-V189 WeakPolarHBondContact OD2-CG2 3.39Å; D186-Y190 PolarHBondContact O-N 3.35Å
187	E	94.5	Very high	95.1	Very high	29 Å²	29	42.1 Å²	42.1	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-53.9	-33.7	176.2	-77.5	-74.5	151.4	0	0	113.2	H182 D183 K191 P244	H182-E187 IonicContact CD2-OE1 3.66Å; H182-E187 IonicContact CE1-OE1 3.86Å; H182-E187 IonicContact NE2-OE1 2.71Å; H182-E187 PolarHBondContact NE2-OE1 2.81Å; H182-E187 IonicContact NE2-OE2 2.92Å; D183-E187 PolarHBondContact O-N 2.76Å; E187-K191 WeakPolarHBondContact O-CB 3.42Å; E187-K191 WeakPolarHBondContact O-CG 3.3Å; E187-K191 PolarHBondContact O-N 3.32Å; E187-K191 WeakPolarHBondContact OE2-CE 3.48Å; E187-K191 IonicContact OE2-NZ 2.85Å; E187-K191 PolarHBondContact OE2-NZ 2.84Å; E187-P244 HydrophobicContact CG-CB 4.01Å; E187-P244 HydrophobicContact CG-CG 4.41Å
188	A	95	Very high	95.3	Very high	69 Å²	69	40 Å²	40	57%	0.57	21%	0.21	S	C	*	.	H	α-helix	trans	-65.3	-49.4	-179.3	0	0	0	0	0	110.4	D186 K191 E192	D186-A188 PolarHBondContact O-N 3.37Å; A188-K191 PolarHBondContact O-N 3.15Å; A188-E192 WeakPolarHBondContact O-CB 3.45Å; A188-E192 PolarHBondContact O-N 2.78Å
189	V	94	Very high	95.6	Very high	50 Å²	50	40.9 Å²	40.9	30%	0.303	21%	0.211	S	C	.	.	H	α-helix	trans	-65.6	-40.7	177	172.1	0	0	0	0	111.4	D186 E192 K193	D186-V189 HydrophobicContact CB-CB 4.34Å; D186-V189 VanDerWaalsContact CG-CG2 3.43Å; D186-V189 PolarHBondContact O-N 3.43Å; D186-V189 WeakPolarHBondContact OD1-CB 3.32Å; D186-V189 WeakPolarHBondContact OD1-CG2 3.47Å; D186-V189 PolarHBondContact OD1-N 3.44Å; D186-V189 VanDerWaalsContact OD1-N 3.08Å; D186-V189 WeakPolarHBondContact OD2-CG2 3.39Å; V189-E192 PolarHBondContact O-N 2.95Å; V189-K193 HydrophobicContact CG1-CD 3.74Å; V189-K193 HydrophobicContact CG1-CG 4.17Å; V189-K193 WeakPolarHBondContact O-CB 3.47Å; V189-K193 PolarHBondContact O-N 3.31Å
190	Y	94.7	Very high	95.8	Very high	11 Å²	11	40.4 Å²	40.4	4%	0.043	21%	0.209	C	C	.	.	H	α-helix	trans	-55.1	-52.7	174.4	156.5	-112.8	0	0	0	111.7	H182 D186 E192 K193 S194 I197 A198 E203	H182-Y190 HydrophobicContact CB-CD2 4.15Å; H182-Y190 HydrophobicContact CB-CE2 3.85Å; H182-Y190 AromaticContact CD2-CD1 3.34Å; H182-Y190 WeakPolarHBondContact CD2-CD1 3.39Å; H182-Y190 AromaticContact CD2-CD2 3.8Å; H182-Y190 AromaticContact CD2-CE1 3.37Å; H182-Y190 WeakPolarHBondContact CD2-CE1 3.29Å; H182-Y190 AromaticContact CD2-CE2 3.8Å; H182-Y190 AromaticContact CD2-CG 3.57Å; H182-Y190 AromaticContact CD2-CZ 3.6Å; H182-Y190 AromaticContact CE1-CE1 3.68Å; H182-Y190 AromaticContact CE1-CZ 3.89Å; H182-Y190 AromaticContact CG-CE1 3.91Å; H182-Y190 AromaticContact CG-CE2 3.74Å; H182-Y190 AromaticContact CG-CZ 3.65Å; H182-Y190 AromaticContact ND1-CZ 3.84Å; H182-Y190 AromaticContact NE2-CD1 3.43Å; H182-Y190 WeakPolarHBondContact NE2-CD1 3.29Å; H182-Y190 AromaticContact NE2-CE1 3.2Å; H182-Y190 WeakPolarHBondContact NE2-CE1 3.45Å; H182-Y190 AromaticContact NE2-CZ 3.74Å; D186-Y190 PolarHBondContact O-N 3.35Å; Y190-E192 VanDerWaalsContact C-N 3.34Å; Y190-E192 PolarHBondContact O-N 3.09Å; Y190-K193 PolarHBondContact O-N 2.94Å; Y190-S194 WeakPolarHBondContact O-CB 3.45Å; Y190-S194 PolarHBondContact O-N 3.46Å; Y190-I197 HydrophobicContact CE2-CG2 3.54Å; Y190-A198 HydrophobicContact CE2-CB 4.13Å; Y190-E203 HydrophobicContact CE1-CG 3.96Å
191	K	95.1	Very high	95.8	Very high	61 Å²	61	40 Å²	40	27%	0.265	21%	0.207	S	C	.	.	H	α-helix	trans	-65	-38.4	-177.9	-68.5	177.3	-179.1	154.1	0	112.1	E187 A188 E203 R204	E187-K191 WeakPolarHBondContact O-CB 3.42Å; E187-K191 WeakPolarHBondContact O-CG 3.3Å; E187-K191 PolarHBondContact O-N 3.32Å; E187-K191 WeakPolarHBondContact OE2-CE 3.48Å; E187-K191 IonicContact OE2-NZ 2.85Å; E187-K191 PolarHBondContact OE2-NZ 2.84Å; A188-K191 PolarHBondContact O-N 3.15Å; K191-E203 HydrophobicContact CD-CB 4.32Å; K191-E203 VanDerWaalsContact CE-OE2 3.28Å; K191-E203 WeakPolarHBondContact CE-OE2 3.25Å; K191-E203 HydrophobicContact CG-CB 3.89Å; K191-E203 HydrophobicContact CG-CG 4.44Å; K191-R204 WeakPolarHBondContact O-CD 3.34Å; K191-R204 VanDerWaalsContact O-CG 3.27Å; K191-R204 WeakPolarHBondContact O-CG 3.23Å; K191-R204 PolarHBondContact O-NH1 2.96Å
192	E	95.1	Very high	95.9	Very high	144 Å²	144	38.5 Å²	38.5	67%	0.673	20%	0.201	S	C	*	.	H	α-helix	trans	-68.6	-51.2	178.2	-173.7	-177.8	-171.4	0	0	111.5	A188 V189 Y190 R204	A188-E192 WeakPolarHBondContact O-CB 3.45Å; A188-E192 PolarHBondContact O-N 2.78Å; V189-E192 PolarHBondContact O-N 2.95Å; Y190-E192 VanDerWaalsContact C-N 3.34Å; Y190-E192 PolarHBondContact O-N 3.09Å; E192-R204 PolarHBondContact O-NH1 3.44Å; E192-R204 VanDerWaalsContact O-NH1 3.07Å
193	K	93.9	Very high	95.8	Very high	115 Å²	115	39.5 Å²	39.5	50%	0.5	21%	0.206	S	C	.	.	H	α-helix	trans	-93.1	-22.2	-165.8	-62.3	-169	-176.6	173.9	0	115.1	V189 Y190 I195	V189-K193 HydrophobicContact CG1-CD 3.74Å; V189-K193 HydrophobicContact CG1-CG 4.17Å; V189-K193 WeakPolarHBondContact O-CB 3.47Å; V189-K193 PolarHBondContact O-N 3.31Å; Y190-K193 PolarHBondContact O-N 2.94Å; K193-I195 PolarHBondContact O-N 3.38Å; K193-I195 VanDerWaalsContact O-N 3.16Å
194	S	94.9	Very high	95.6	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.063	22%	0.222	C	C	.	.			trans	-68.1	116.1	-178.1	174.8	0	0	0	0	111.1	Y190 F196 I197 A198 R204	Y190-S194 WeakPolarHBondContact O-CB 3.45Å; Y190-S194 PolarHBondContact O-N 3.46Å; S194-F196 VanDerWaalsContact C-N 3.34Å; S194-I197 WeakPolarHBondContact OG-CG2 3.38Å; S194-I197 PolarHBondContact OG-N 3.32Å; S194-A198 PolarHBondContact OG-N 3.04Å; S194-R204 VanDerWaalsContact O-CZ 3.29Å; S194-R204 PolarHBondContact O-NH1 3.11Å; S194-R204 PolarHBondContact O-NH2 2.86Å
195	I	96	Very high	95.3	Very high	89 Å²	89	49.5 Å²	49.5	46%	0.456	26%	0.255	S	S	.	.	S	Bend	trans	-84.9	-5.3	-176.9	65.6	167	0	0	0	113.7	N91 Q179 K193	N91-I195 PolarHBondContact ND2-O 2.8Å; N91-I195 PolarHBondContact OD1-O 3.3Å; Q179-I195 HydrophobicContact CG-CD1 3.99Å; Q179-I195 HydrophobicContact CG-CG1 3.87Å; K193-I195 PolarHBondContact O-N 3.38Å; K193-I195 VanDerWaalsContact O-N 3.16Å
196	F	97.9	Very high	95.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-133.6	-71.2	-175.6	175.2	-108.1	0	0	0	112.4	V90 V94 Q121 F122 A125 Q179 S194 A198 D199 I200	V90-F196 HydrophobicContact CB-CD1 4.47Å; V90-F196 HydrophobicContact CB-CD2 4.12Å; V90-F196 HydrophobicContact CB-CE2 4.4Å; V90-F196 HydrophobicContact CB-CG 4.16Å; V90-F196 HydrophobicContact CG1-CD1 4.07Å; V90-F196 HydrophobicContact CG1-CD2 3.66Å; V90-F196 HydrophobicContact CG1-CE1 3.9Å; V90-F196 HydrophobicContact CG1-CE2 3.46Å; V90-F196 VanDerWaalsContact CG1-CE2 3.46Å; V90-F196 HydrophobicContact CG1-CG 3.97Å; V90-F196 HydrophobicContact CG1-CZ 3.59Å; V94-F196 HydrophobicContact CG2-CE2 4.37Å; Q121-F196 HydrophobicContact CG-CE1 4.07Å; F122-F196 AromaticContact CD1-CE1 3.7Å; F122-F196 HydrophobicContact CD1-CE1 3.7Å; F122-F196 AromaticContact CD1-CZ 3.62Å; F122-F196 HydrophobicContact CD1-CZ 3.62Å; F122-F196 AromaticContact CE1-CE1 3.8Å; F122-F196 HydrophobicContact CE1-CE1 3.8Å; F122-F196 HydrophobicContact CE1-CZ 4.17Å; A125-F196 HydrophobicContact CB-CE2 3.59Å; A125-F196 HydrophobicContact CB-CZ 3.85Å; Q179-F196 HydrophobicContact CB-CB 3.89Å; Q179-F196 WeakPolarHBondContact O-CB 3.33Å; S194-F196 VanDerWaalsContact C-N 3.34Å; F196-A198 VanDerWaalsContact C-N 3.33Å; F196-A198 PolarHBondContact O-N 3.02Å; F196-D199 WeakPolarHBondContact O-CB 3.1Å; F196-D199 PolarHBondContact O-N 3.16Å; F196-I200 HydrophobicContact CD2-CG2 4.44Å; F196-I200 HydrophobicContact CE1-CD1 3.81Å; F196-I200 HydrophobicContact CE2-CD1 4.01Å; F196-I200 HydrophobicContact CE2-CG2 4.15Å; F196-I200 HydrophobicContact CZ-CD1 3.5Å; F196-I200 VanDerWaalsContact CZ-CD1 3.5Å; F196-I200 PolarHBondContact O-N 2.95Å
197	I	98.1	Very high	95.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-38	-170.3	-163.9	66.7	0	0	0	112.1	Q121 Q179 Y190 S194 D199 I200 N201	Q121-I197 HydrophobicContact CB-CD1 4.48Å; Q179-I197 PolarHBondContact O-N 2.85Å; Q179-I197 VanDerWaalsContact O-N 3.09Å; Y190-I197 HydrophobicContact CE2-CG2 3.54Å; S194-I197 WeakPolarHBondContact OG-CG2 3.38Å; S194-I197 PolarHBondContact OG-N 3.32Å; I197-D199 VanDerWaalsContact C-N 3.31Å; I197-D199 PolarHBondContact O-N 3.26Å; I197-I200 HydrophobicContact CD1-CD1 3.96Å; I197-I200 HydrophobicContact CD1-CG1 4.08Å; I197-I200 PolarHBondContact O-N 3.45Å; I197-N201 VanDerWaalsContact O-CB 3.24Å; I197-N201 WeakPolarHBondContact O-CB 3.39Å; I197-N201 PolarHBondContact O-N 3.37Å
198	A	97	Very high	95	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-29.2	176.1	0	0	0	0	0	113.1	Y190 S194 F196 N202 E203	Y190-A198 HydrophobicContact CE2-CB 4.13Å; S194-A198 PolarHBondContact OG-N 3.04Å; F196-A198 VanDerWaalsContact C-N 3.33Å; F196-A198 PolarHBondContact O-N 3.02Å; A198-N202 PolarHBondContact O-N 2.77Å; A198-E203 HydrophobicContact CB-CB 4.04Å; A198-E203 HydrophobicContact CB-CG 4.07Å; A198-E203 WeakPolarHBondContact O-CB 3.3Å; A198-E203 PolarHBondContact O-N 3.04Å
199	D	97.9	Very high	95	Very high	45 Å²	45	50.6 Å²	50.6	24%	0.241	25%	0.251	C	S	.	.	H	α-helix	trans	-68.7	-55.3	172.7	175.1	68.2	0	0	0	110.7	R129 F196 I197 N201 N202 Y210	R129-D199 IonicContact CZ-OD2 2.93Å; R129-D199 IonicContact NE-OD2 4Å; R129-D199 IonicContact NH2-OD2 3.29Å; R129-D199 PolarHBondContact NH2-OD2 2.83Å; F196-D199 WeakPolarHBondContact O-CB 3.1Å; F196-D199 PolarHBondContact O-N 3.16Å; I197-D199 VanDerWaalsContact C-N 3.31Å; I197-D199 PolarHBondContact O-N 3.26Å; D199-N201 PolarHBondContact O-N 2.96Å; D199-N201 VanDerWaalsContact O-N 3.17Å; D199-N202 PolarHBondContact O-N 3.28Å; D199-Y210 WeakPolarHBondContact OD2-CE2 3.46Å; D199-Y210 PolarHBondContact OD2-OH 2.58Å
200	I	98.3	Very high	95.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-72.2	-10.2	-176.9	68.9	171.6	0	0	0	113.4	R124 A125 Q128 F196 I197 L273	R124-I200 VanDerWaalsContact CZ-CD1 3.49Å; R124-I200 PolarHBondContact NH1-O 2.96Å; R124-I200 VanDerWaalsContact NH2-CD1 3.33Å; A125-I200 HydrophobicContact CB-CD1 4.14Å; A125-I200 HydrophobicContact CB-CG2 3.85Å; Q128-I200 PolarHBondContact NE2-O 3.17Å; Q128-I200 PolarHBondContact OE1-O 2.83Å; F196-I200 HydrophobicContact CD2-CG2 4.44Å; F196-I200 HydrophobicContact CE1-CD1 3.81Å; F196-I200 HydrophobicContact CE2-CD1 4.01Å; F196-I200 HydrophobicContact CE2-CG2 4.15Å; F196-I200 HydrophobicContact CZ-CD1 3.5Å; F196-I200 VanDerWaalsContact CZ-CD1 3.5Å; F196-I200 PolarHBondContact O-N 2.95Å; I197-I200 HydrophobicContact CD1-CD1 3.96Å; I197-I200 HydrophobicContact CD1-CG1 4.08Å; I197-I200 PolarHBondContact O-N 3.45Å; I200-L273 VanDerWaalsContact O-CD2 3.3Å; I200-L273 WeakPolarHBondContact O-CD2 3.24Å
201	N	97.8	Very high	95.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	4.8	170.6	-71.6	4.7	0	0	0	113.2	R124 H145 Q146 I197 D199 E203 L258	R124-N201 PolarHBondContact NH1-OD1 3.42Å; R124-N201 PolarHBondContact NH2-OD1 2.83Å; H145-N201 PolarHBondContact O-ND2 3.02Å; H145-N201 VanDerWaalsContact O-ND2 3.08Å; H145-N201 PolarHBondContact O-OD1 2.95Å; Q146-N201 PolarHBondContact OE1-ND2 3.44Å; I197-N201 VanDerWaalsContact O-CB 3.24Å; I197-N201 WeakPolarHBondContact O-CB 3.39Å; I197-N201 PolarHBondContact O-N 3.37Å; D199-N201 PolarHBondContact O-N 2.96Å; D199-N201 VanDerWaalsContact O-N 3.17Å; N201-E203 HydrophobicContact CB-CG 3.99Å; N201-E203 PolarHBondContact O-N 2.87Å; N201-L258 HydrophobicContact CB-CD1 4.3Å; N201-L258 WeakPolarHBondContact O-CD1 3.38Å
202	N	95.7	Very high	95.2	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.016	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	41.8	-179	-78.3	-19.6	0	0	0	112	A198 D199 V205 I206 N207 R272 L273	A198-N202 PolarHBondContact O-N 2.77Å; D199-N202 PolarHBondContact O-N 3.28Å; N202-V205 PolarHBondContact OD1-O 3.07Å; N202-I206 HydrophobicContact CB-CD1 3.93Å; N202-N207 PolarHBondContact ND2-N 2.83Å; N202-N207 WeakPolarHBondContact OD1-CB 3.45Å; N202-N207 PolarHBondContact OD1-N 2.88Å; N202-N207 VanDerWaalsContact OD1-N 3.11Å; N202-R272 HydrophobicContact CB-CB 4.39Å; N202-R272 PolarHBondContact ND2-O 2.83Å; N202-L273 HydrophobicContact CB-CD2 4.42Å
203	E	93.9	Very high	95.4	Very high	26 Å²	26	49.2 Å²	49.2	12%	0.121	24%	0.241	C	C	.	.	S	Bend	trans	-75.5	-28.1	-175.9	-68.4	-65.6	172.8	0	0	113.9	Y190 K191 A198 N201 R272	Y190-E203 HydrophobicContact CE1-CG 3.96Å; K191-E203 HydrophobicContact CD-CB 4.32Å; K191-E203 VanDerWaalsContact CE-OE2 3.28Å; K191-E203 WeakPolarHBondContact CE-OE2 3.25Å; K191-E203 HydrophobicContact CG-CB 3.89Å; K191-E203 HydrophobicContact CG-CG 4.44Å; A198-E203 HydrophobicContact CB-CB 4.04Å; A198-E203 HydrophobicContact CB-CG 4.07Å; A198-E203 WeakPolarHBondContact O-CB 3.3Å; A198-E203 PolarHBondContact O-N 3.04Å; N201-E203 HydrophobicContact CB-CG 3.99Å; N201-E203 PolarHBondContact O-N 2.87Å; E203-R272 IonicContact OE2-NH1 3.52Å; E203-R272 PolarHBondContact OE2-NH1 3.09Å
204	R	91	Very high	95.5	Very high	112 Å²	112	43.7 Å²	43.7	42%	0.423	22%	0.217	S	C	.	.	S	Bend	trans	-95.7	-51.1	-178.5	-69	177.2	-81.3	-119.6	-2.4	111.9	K191 E192 S194	K191-R204 WeakPolarHBondContact O-CD 3.34Å; K191-R204 VanDerWaalsContact O-CG 3.27Å; K191-R204 WeakPolarHBondContact O-CG 3.23Å; K191-R204 PolarHBondContact O-NH1 2.96Å; E192-R204 PolarHBondContact O-NH1 3.44Å; E192-R204 VanDerWaalsContact O-NH1 3.07Å; S194-R204 VanDerWaalsContact O-CZ 3.29Å; S194-R204 PolarHBondContact O-NH1 3.11Å; S194-R204 PolarHBondContact O-NH2 2.86Å
205	V	90	Very high	95.6	Very high	114 Å²	114	44 Å²	44	69%	0.691	22%	0.222	S	C	*	.	S	Bend	trans	-143.2	140.7	-176.7	179.8	0	0	0	0	107.6	N202 N207	N202-V205 PolarHBondContact OD1-O 3.07Å; V205-N207 PolarHBondContact O-N 2.97Å
206	I	91.2	Very high	95.6	Very high	42 Å²	42	43.2 Å²	43.2	22%	0.215	22%	0.216	C	C	.	.			trans	-74.3	110.9	174	-53.7	-53.2	0	0	0	109.2	N202 E208 V211 R272	N202-I206 HydrophobicContact CB-CD1 3.93Å; I206-E208 PolarHBondContact O-N 3.42Å; I206-V211 HydrophobicContact CG2-CG2 4.12Å; I206-R272 HydrophobicContact CD1-CB 3.94Å; I206-R272 HydrophobicContact CD1-CG 3.74Å
207	N	94.2	Very high	95.7	Very high	55 Å²	55	43.3 Å²	43.3	29%	0.294	22%	0.216	S	C	.	.			trans	-86	100.5	170	-171.7	-28.8	0	0	0	109.9	N202 V205 T209 Y210 V211	N202-N207 PolarHBondContact ND2-N 2.83Å; N202-N207 WeakPolarHBondContact OD1-CB 3.45Å; N202-N207 PolarHBondContact OD1-N 2.88Å; N202-N207 VanDerWaalsContact OD1-N 3.11Å; V205-N207 PolarHBondContact O-N 2.97Å; N207-T209 PolarHBondContact O-N 3.22Å; N207-T209 VanDerWaalsContact O-N 3.13Å; N207-T209 VanDerWaalsContact OD1-CB 3.27Å; N207-T209 WeakPolarHBondContact OD1-CB 3.43Å; N207-T209 PolarHBondContact OD1-N 3.5Å; N207-Y210 HydrophobicContact CB-CD1 4.3Å; N207-Y210 HydrophobicContact CB-CD2 3.76Å; N207-Y210 HydrophobicContact CB-CE2 4.26Å; N207-Y210 HydrophobicContact CB-CG 3.8Å; N207-Y210 WeakPolarHBondContact ND2-CE1 3.37Å; N207-Y210 WeakPolarHBondContact O-CB 3.39Å; N207-Y210 PolarHBondContact O-N 2.75Å; N207-Y210 PolarHBondContact OD1-N 3.44Å; N207-V211 PolarHBondContact O-N 3.25Å
208	E	93.8	Very high	95.7	Very high	113 Å²	113	46.3 Å²	46.3	53%	0.528	23%	0.231	S	C	.	.	H	α-helix	trans	-56.6	-28.8	179.4	-66.2	-61.3	158.7	0	0	113.5	I206 V211 K212	I206-E208 PolarHBondContact O-N 3.42Å; E208-V211 PolarHBondContact O-N 3.41Å; E208-K212 VanDerWaalsContact O-CB 3.28Å; E208-K212 WeakPolarHBondContact O-CB 3.45Å; E208-K212 PolarHBondContact O-N 3.11Å
209	T	95.5	Very high	95.8	Very high	73 Å²	73	48 Å²	48	45%	0.448	24%	0.24	S	C	.	.	H	α-helix	trans	-67.8	-39.2	175.8	-60.6	0	0	0	0	111	N207 K213	N207-T209 PolarHBondContact O-N 3.22Å; N207-T209 VanDerWaalsContact O-N 3.13Å; N207-T209 VanDerWaalsContact OD1-CB 3.27Å; N207-T209 WeakPolarHBondContact OD1-CB 3.43Å; N207-T209 PolarHBondContact OD1-N 3.5Å; T209-K213 HydrophobicContact CG2-CD 3.83Å; T209-K213 HydrophobicContact CG2-CG 4.32Å; T209-K213 WeakPolarHBondContact O-CB 3.45Å; T209-K213 VanDerWaalsContact O-CG 3.31Å; T209-K213 WeakPolarHBondContact O-CG 3.23Å; T209-K213 PolarHBondContact O-N 2.88Å
210	Y	97	Very high	95.8	Very high	25 Å²	25	45.9 Å²	45.9	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-46	176.4	-71.1	2	0	0	0	111.2	Q128 R129 D199 N207 K213 L214	Q128-Y210 HydrophobicContact CB-CD1 3.98Å; Q128-Y210 HydrophobicContact CB-CD2 4.48Å; Q128-Y210 HydrophobicContact CB-CG 3.94Å; Q128-Y210 HydrophobicContact CG-CG 4.49Å; Q128-Y210 WeakPolarHBondContact O-CD1 3.47Å; R129-Y210 HydrophobicContact CG-CE1 3.67Å; R129-Y210 PolarHBondContact NE-OH 3Å; D199-Y210 WeakPolarHBondContact OD2-CE2 3.46Å; D199-Y210 PolarHBondContact OD2-OH 2.58Å; N207-Y210 HydrophobicContact CB-CD1 4.3Å; N207-Y210 HydrophobicContact CB-CD2 3.76Å; N207-Y210 HydrophobicContact CB-CE2 4.26Å; N207-Y210 HydrophobicContact CB-CG 3.8Å; N207-Y210 WeakPolarHBondContact ND2-CE1 3.37Å; N207-Y210 WeakPolarHBondContact O-CB 3.39Å; N207-Y210 PolarHBondContact O-N 2.75Å; N207-Y210 PolarHBondContact OD1-N 3.44Å; Y210-K213 PolarHBondContact O-N 3.41Å; Y210-L214 WeakPolarHBondContact O-CB 2.87Å; Y210-L214 PolarHBondContact O-N 3.49Å
211	V	95.3	Very high	95.8	Very high	27 Å²	27	45.9 Å²	45.9	16%	0.164	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-50.6	177.1	-178.1	0	0	0	0	110.4	I206 N207 E208 K213 G215 R272	I206-V211 HydrophobicContact CG2-CG2 4.12Å; N207-V211 PolarHBondContact O-N 3.25Å; E208-V211 PolarHBondContact O-N 3.41Å; V211-K213 PolarHBondContact O-N 2.87Å; V211-G215 PolarHBondContact O-N 2.99Å; V211-R272 VanDerWaalsContact CG2-O 3.24Å; V211-R272 WeakPolarHBondContact CG2-O 3.23Å
212	K	95.6	Very high	95.9	Very high	147 Å²	147	45.9 Å²	45.9	64%	0.639	23%	0.228	S	C	*	.	H	α-helix	trans	-60	-46.7	179.9	-179.4	178.8	176.9	-179.3	0	112.1	E208 G215 Q216	E208-K212 VanDerWaalsContact O-CB 3.28Å; E208-K212 WeakPolarHBondContact O-CB 3.45Å; E208-K212 PolarHBondContact O-N 3.11Å; K212-G215 PolarHBondContact O-N 3.01Å; K212-Q216 WeakPolarHBondContact O-CG 3.41Å; K212-Q216 PolarHBondContact O-N 3.09Å
213	K	97.5	Very high	96	Very high	38 Å²	38	45.7 Å²	45.7	17%	0.165	23%	0.227	C	C	.	.	H	α-helix	trans	-71.6	-41.1	-176.5	-74	176.7	174.7	-178.1	0	112.4	A127 Q128 R129 C130 T209 Y210 V211 G215 Q216	A127-K213 WeakPolarHBondContact O-CB 3.31Å; Q128-K213 WeakPolarHBondContact O-CD 3.34Å; R129-K213 PolarHBondContact O-NZ 3.14Å; C130-K213 VanDerWaalsContact C-NZ 3.31Å; C130-K213 VanDerWaalsContact O-CE 3.28Å; C130-K213 WeakPolarHBondContact O-CE 3.38Å; C130-K213 PolarHBondContact O-NZ 2.85Å; T209-K213 HydrophobicContact CG2-CD 3.83Å; T209-K213 HydrophobicContact CG2-CG 4.32Å; T209-K213 WeakPolarHBondContact O-CB 3.45Å; T209-K213 VanDerWaalsContact O-CG 3.31Å; T209-K213 WeakPolarHBondContact O-CG 3.23Å; T209-K213 PolarHBondContact O-N 2.88Å; Y210-K213 PolarHBondContact O-N 3.41Å; V211-K213 PolarHBondContact O-N 2.87Å; K213-G215 VanDerWaalsContact C-N 3.28Å; K213-G215 PolarHBondContact O-N 2.88Å; K213-Q216 WeakPolarHBondContact O-CB 3.46Å; K213-Q216 PolarHBondContact O-N 2.86Å; K213-Q216 VanDerWaalsContact O-N 3.07Å
214	L	97.7	Very high	96.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-39.5	174.2	-166.2	69.2	0	0	0	111.1	R124 A127 Q128 Y210 Q216 L217 L273 L275 L278	R124-L214 HydrophobicContact CG-CD1 4.05Å; A127-L214 HydrophobicContact CB-CD1 4.42Å; Q128-L214 HydrophobicContact CG-CB 4.15Å; Q128-L214 HydrophobicContact CG-CD1 4.25Å; Y210-L214 WeakPolarHBondContact O-CB 2.87Å; Y210-L214 PolarHBondContact O-N 3.49Å; L214-Q216 PolarHBondContact O-N 3.14Å; L214-Q216 VanDerWaalsContact O-N 3.09Å; L214-L217 HydrophobicContact CD1-CD1 3.67Å; L214-L217 HydrophobicContact CG-CD1 4.43Å; L214-L217 WeakPolarHBondContact O-CG 3.33Å; L214-L217 PolarHBondContact O-N 3.16Å; L214-L217 VanDerWaalsContact O-N 3.08Å; L214-L273 HydrophobicContact CD2-CB 4Å; L214-L275 HydrophobicContact CD2-CD2 4.04Å; L214-L278 HydrophobicContact CG-CD1 4.38Å
215	G	96.6	Very high	96.6	Very high	15 Å²	15	40.5 Å²	40.5	16%	0.155	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-9.8	174.1	0	0	0	0	0	115.4	V211 K212 K213 R283	V211-G215 PolarHBondContact O-N 2.99Å; K212-G215 PolarHBondContact O-N 3.01Å; K213-G215 VanDerWaalsContact C-N 3.28Å; K213-G215 PolarHBondContact O-N 2.88Å; G215-R283 PolarHBondContact O-NH1 2.96Å; G215-R283 PolarHBondContact O-NH2 3.31Å; G215-R283 VanDerWaalsContact O-NH2 3.16Å
216	Q	96.7	Very high	96.9	Very high	72 Å²	72	38.3 Å²	38.3	34%	0.336	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.7	173.3	-71	172.5	-12.6	0	0	113.6	R134 K212 K213 L214 E218	R134-Q216 VanDerWaalsContact CZ-O 3.31Å; R134-Q216 PolarHBondContact NE-O 2.88Å; R134-Q216 PolarHBondContact NH2-O 3.23Å; K212-Q216 WeakPolarHBondContact O-CG 3.41Å; K212-Q216 PolarHBondContact O-N 3.09Å; K213-Q216 WeakPolarHBondContact O-CB 3.46Å; K213-Q216 PolarHBondContact O-N 2.86Å; K213-Q216 VanDerWaalsContact O-N 3.07Å; L214-Q216 PolarHBondContact O-N 3.14Å; L214-Q216 VanDerWaalsContact O-N 3.09Å; Q216-E218 PolarHBondContact O-N 3.4Å
217	L	98.4	Very high	97.2	Very high	2 Å²	2	42 Å²	42	1%	0.01	21%	0.21	C	C	.	.			trans	-61.7	136.5	170.7	-66.8	174	0	0	0	110.1	A127 M135 R136 L138 L214 F220 R283	A127-L217 HydrophobicContact CB-CD2 4.47Å; M135-L217 HydrophobicContact CB-CD2 3.93Å; M135-L217 HydrophobicContact CG-CD2 3.77Å; M135-L217 HydrophobicContact SD-CD2 3.88Å; R136-L217 CarbonylContact O-C 3.52Å; R136-L217 WeakPolarHBondContact O-CA 3.49Å; L138-L217 HydrophobicContact CB-CD1 3.87Å; L138-L217 HydrophobicContact CB-CD2 4.17Å; L138-L217 HydrophobicContact CD2-CD1 4.22Å; L214-L217 HydrophobicContact CD1-CD1 3.67Å; L214-L217 HydrophobicContact CG-CD1 4.43Å; L214-L217 WeakPolarHBondContact O-CG 3.33Å; L214-L217 PolarHBondContact O-N 3.16Å; L214-L217 VanDerWaalsContact O-N 3.08Å; L217-F220 HydrophobicContact CD1-CB 4.09Å; L217-F220 HydrophobicContact CD1-CD1 4.39Å; L217-F220 HydrophobicContact CD1-CG 4.26Å; L217-R283 PolarHBondContact O-NH1 2.83Å
218	E	98.4	Very high	97.2	Very high	64 Å²	64	39.9 Å²	39.9	30%	0.299	20%	0.2	S	C	.	.	S	Bend	trans	-70.3	-45	169.9	-72.6	170.6	-153.4	0	0	109.6	R136 N137 Q216 R283	R136-E218 IonicContact CZ-OE1 3.81Å; R136-E218 IonicContact CZ-OE2 3.73Å; R136-E218 IonicContact NE-OE1 3.73Å; R136-E218 PolarHBondContact NE-OE1 3.49Å; R136-E218 IonicContact NE-OE2 2.97Å; R136-E218 PolarHBondContact NE-OE2 2.88Å; R136-E218 IonicContact NH2-OE1 3.1Å; R136-E218 PolarHBondContact NH2-OE1 3.32Å; R136-E218 IonicContact NH2-OE2 3.17Å; R136-E218 PolarHBondContact NH2-OE2 3.24Å; R136-E218 WeakPolarHBondContact O-CB 3.38Å; R136-E218 PolarHBondContact O-N 3.08Å; N137-E218 VanDerWaalsContact OD1-CB 3.29Å; N137-E218 WeakPolarHBondContact OD1-CB 3.2Å; Q216-E218 PolarHBondContact O-N 3.4Å; E218-R283 WeakPolarHBondContact O-CB 3.49Å; E218-R283 VanDerWaalsContact O-CD 3.31Å; E218-R283 WeakPolarHBondContact O-CD 3.38Å; E218-R283 VanDerWaalsContact O-CG 3.23Å; E218-R283 WeakPolarHBondContact O-CG 3.33Å
219	N	98.7	Very high	97.2	Very high	35 Å²	35	37.3 Å²	37.3	19%	0.187	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	140.1	172.6	-58.6	-84.1	0	0	0	111.1	N137 L138 V221 R283 H285 F309	N137-N219 CarbonylContact C-O 3.55Å; N137-N219 WeakPolarHBondContact CA-O 3.44Å; N137-N219 HydrophobicContact CB-CB 4.47Å; N137-N219 VanDerWaalsContact OD1-CB 3.29Å; N137-N219 WeakPolarHBondContact OD1-CB 3.19Å; N137-N219 PolarHBondContact OD1-N 3.44Å; N137-N219 PolarHBondContact OD1-ND2 3Å; L138-N219 PolarHBondContact N-O 3.24Å; N219-V221 HydrophobicContact CB-CG2 4.32Å; N219-R283 CarbonylContact C-O 3.58Å; N219-R283 WeakPolarHBondContact CA-O 3.26Å; N219-H285 PolarHBondContact OD1-NE2 3.08Å; N219-F309 HydrophobicContact CB-CD1 3.97Å; N219-F309 HydrophobicContact CB-CE1 4.25Å
220	F	98.8	Very high	97.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	105.6	166.4	-173	-177.5	0	0	0	108.3	L138 H145 L217 M222 F239 L275 R283 L284 H285	L138-F220 HydrophobicContact CB-CD2 4.1Å; L138-F220 HydrophobicContact CD2-CD2 3.91Å; L138-F220 HydrophobicContact CD2-CE2 3.63Å; L138-F220 HydrophobicContact CD2-CG 4.5Å; L138-F220 HydrophobicContact CD2-CZ 3.97Å; L138-F220 HydrophobicContact CG-CD2 3.93Å; L138-F220 HydrophobicContact CG-CE2 3.91Å; L138-F220 CarbonylContact O-C 3.53Å; L138-F220 WeakPolarHBondContact O-CA 3.48Å; H145-F220 AromaticContact CE1-CE2 3.94Å; H145-F220 AromaticContact CE1-CZ 3.52Å; H145-F220 AromaticContact ND1-CZ 3.96Å; H145-F220 AromaticContact NE2-CE2 3.99Å; H145-F220 AromaticContact NE2-CZ 3.84Å; L217-F220 HydrophobicContact CD1-CB 4.09Å; L217-F220 HydrophobicContact CD1-CD1 4.39Å; L217-F220 HydrophobicContact CD1-CG 4.26Å; F220-M222 HydrophobicContact CD2-CG 4.04Å; F220-M222 HydrophobicContact CE2-CG 3.68Å; F220-M222 HydrophobicContact CE2-SD 4.24Å; F220-M222 HydrophobicContact CZ-CG 4.17Å; F220-M222 HydrophobicContact CZ-SD 4.12Å; F220-F239 AromaticContact CE1-CE2 3.61Å; F220-F239 HydrophobicContact CE1-CE2 3.61Å; F220-F239 HydrophobicContact CE1-CZ 4.2Å; F220-F239 AromaticContact CZ-CE2 3.73Å; F220-F239 HydrophobicContact CZ-CE2 3.73Å; F220-F239 HydrophobicContact CZ-CZ 4.43Å; F220-L275 HydrophobicContact CD1-CD2 4.32Å; F220-L275 HydrophobicContact CE1-CD2 4.25Å; F220-R283 PolarHBondContact N-O 2.81Å; F220-L284 HydrophobicContact CB-CD1 3.86Å; F220-L284 HydrophobicContact CD1-CD1 3.71Å; F220-L284 HydrophobicContact CE1-CD1 4.48Å; F220-L284 HydrophobicContact CG-CD1 3.89Å; F220-L284 WeakPolarHBondContact O-CA 3.32Å; F220-H285 PolarHBondContact O-N 3.02Å
221	V	98.9	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.3	-176.8	-174.5	0	0	0	0	109.2	L138 I139 S140 N219 H285 L287 F309	L138-V221 PolarHBondContact O-N 2.87Å; I139-V221 HydrophobicContact CD1-CB 3.66Å; I139-V221 HydrophobicContact CD1-CG2 3.5Å; I139-V221 HydrophobicContact CG2-CB 4.34Å; I139-V221 HydrophobicContact CG2-CG1 4.48Å; S140-V221 PolarHBondContact N-O 2.94Å; N219-V221 HydrophobicContact CB-CG2 4.32Å; V221-H285 HydrophobicContact CB-CB 4.36Å; V221-H285 HydrophobicContact CG1-CB 4.24Å; V221-H285 HydrophobicContact CG2-CB 4.1Å; V221-L287 HydrophobicContact CG1-CD1 3.51Å; V221-L287 HydrophobicContact CG1-CG 3.9Å; V221-F309 HydrophobicContact CG1-CE2 4.18Å; V221-F309 HydrophobicContact CG2-CD1 3.76Å; V221-F309 HydrophobicContact CG2-CD2 3.8Å; V221-F309 HydrophobicContact CG2-CE1 3.71Å; V221-F309 HydrophobicContact CG2-CE2 3.75Å; V221-F309 HydrophobicContact CG2-CG 3.79Å; V221-F309 HydrophobicContact CG2-CZ 3.7Å
222	M	98.8	Very high	97	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	117.9	-178.5	-63.5	175	-67.8	0	0	110.4	F220 S237 W238 F239 L284 H285 F286 L287	F220-M222 HydrophobicContact CD2-CG 4.04Å; F220-M222 HydrophobicContact CE2-CG 3.68Å; F220-M222 HydrophobicContact CE2-SD 4.24Å; F220-M222 HydrophobicContact CZ-CG 4.17Å; F220-M222 HydrophobicContact CZ-SD 4.12Å; M222-S237 WeakPolarHBondContact CB-O 3.38Å; M222-W238 PolarHBondContact O-NE1 3.36Å; M222-F239 HydrophobicContact SD-CD2 3.61Å; M222-F239 HydrophobicContact SD-CE2 4.01Å; M222-L284 HydrophobicContact CE-CD1 3.48Å; M222-L284 VanDerWaalsContact CE-CD1 3.48Å; M222-L284 HydrophobicContact CE-CD2 4.16Å; M222-L284 HydrophobicContact CE-CG 3.71Å; M222-L284 HydrophobicContact SD-CD1 4.42Å; M222-H285 PolarHBondContact N-O 2.67Å; M222-F286 HydrophobicContact CE-CD1 3.72Å; M222-F286 HydrophobicContact CE-CE1 3.32Å; M222-F286 HydrophobicContact CE-CE2 4.32Å; M222-F286 HydrophobicContact CE-CG 4.39Å; M222-F286 HydrophobicContact CE-CZ 3.66Å; M222-L287 PolarHBondContact O-N 3.44Å
223	V	98.8	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.5	178.1	-172.4	0	0	0	0	109.3	S140 I141 G142 F225 L287 M296 F300 I305	S140-V223 PolarHBondContact O-N 3.15Å; I141-V223 HydrophobicContact CG1-CG2 4.21Å; G142-V223 WeakPolarHBondContact CA-O 3.32Å; G142-V223 PolarHBondContact N-O 3.27Å; V223-F225 HydrophobicContact CG1-CZ 4.33Å; V223-L287 CarbonylContact C-O 3.53Å; V223-L287 VanDerWaalsContact CA-O 3.29Å; V223-L287 WeakPolarHBondContact CA-O 3.06Å; V223-L287 HydrophobicContact CG2-CB 4.24Å; V223-L287 HydrophobicContact CG2-CD1 4.42Å; V223-M296 HydrophobicContact CG1-CE 4.37Å; V223-F300 HydrophobicContact CG1-CE1 3.98Å; V223-F300 HydrophobicContact CG1-CZ 4.21Å; V223-F300 HydrophobicContact CG2-CE1 4.4Å; V223-I305 HydrophobicContact CG2-CD1 4Å
224	K	98.7	Very high	97.1	Very high	27 Å²	27	29 Å²	29	12%	0.117	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	143.7	171.3	-169.9	-172	81.1	-162.2	0	110.2	W238 L287 E288 H289	K224-W238 HydrophobicContact CB-CD2 3.93Å; K224-W238 HydrophobicContact CB-CG 4.13Å; K224-W238 HydrophobicContact CB-CZ2 4.08Å; K224-W238 HydrophobicContact CD-CD2 3.99Å; K224-W238 HydrophobicContact CD-CE3 4Å; K224-W238 HydrophobicContact CD-CG 4.39Å; K224-W238 HydrophobicContact CD-CZ3 4.42Å; K224-W238 VanDerWaalsContact NZ-CZ3 3.29Å; K224-L287 PolarHBondContact N-O 3.42Å; K224-E288 WeakPolarHBondContact CE-OE2 3.13Å; K224-E288 IonicContact NZ-OE2 3.38Å; K224-E288 PolarHBondContact NZ-OE2 3.2Å; K224-E288 WeakPolarHBondContact O-CA 3.4Å; K224-H289 PolarHBondContact O-N 3.37Å
225	F	98.5	Very high	97.1	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.7	175.2	-67.2	-80.9	0	0	0	109.9	I141 V223 E227 D228 H289 G291 I294 M296	I141-F225 HydrophobicContact CG2-CE2 4.08Å; I141-F225 HydrophobicContact CG2-CZ 4.05Å; V223-F225 HydrophobicContact CG1-CZ 4.33Å; F225-E227 VanDerWaalsContact C-N 3.32Å; F225-E227 PolarHBondContact O-N 3.39Å; F225-D228 HydrophobicContact CB-CB 4.04Å; F225-H289 WeakPolarHBondContact CA-O 3.39Å; F225-H289 HydrophobicContact CD1-CB 4.33Å; F225-H289 HydrophobicContact CE1-CB 4.27Å; F225-G291 WeakPolarHBondContact CB-O 3.12Å; F225-I294 HydrophobicContact CE2-CG2 4.32Å; F225-M296 HydrophobicContact CE1-CB 4.01Å; F225-M296 HydrophobicContact CE1-CE 4.36Å; F225-M296 HydrophobicContact CZ-CB 4.37Å; F225-M296 HydrophobicContact CZ-CE 3.68Å
226	T	96.8	Very high	97.2	Very high	69 Å²	69	31.6 Å²	31.6	42%	0.423	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-23.5	-172.4	57.8	0	0	0	0	113.9	E288 H289 P290	T226-E288 HydrophobicContact CG2-CG 3.35Å; T226-H289 PolarHBondContact N-O 3.17Å; T226-H289 VanDerWaalsContact N-O 3.16Å; T226-P290 WeakPolarHBondContact OG1-CA 3.28Å
227	E	96.1	Very high	97.2	Very high	118 Å²	118	28.1 Å²	28.1	55%	0.551	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.4	27.3	-177.4	-59.6	154.6	-121.3	0	0	110.8	F225 T229 G291	F225-E227 VanDerWaalsContact C-N 3.32Å; F225-E227 PolarHBondContact O-N 3.39Å; E227-T229 WeakPolarHBondContact O-CG2 3.05Å; E227-T229 PolarHBondContact O-N 3.31Å; E227-T229 VanDerWaalsContact O-N 3.14Å; E227-G291 PolarHBondContact N-O 2.7Å; E227-G291 VanDerWaalsContact N-O 3.14Å; E227-G291 PolarHBondContact OE1-N 2.97Å
228	D	95.7	Very high	97.3	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.064	16%	0.157	C	C	.	.			trans	-61.9	114.7	-176.7	-159	-45.7	0	0	0	111.4	F225 M230 V231 P234 H293	F225-D228 HydrophobicContact CB-CB 4.04Å; D228-M230 WeakPolarHBondContact OD1-CA 3.2Å; D228-M230 PolarHBondContact OD1-N 3.01Å; D228-V231 PolarHBondContact OD1-N 3.31Å; D228-P234 HydrophobicContact CB-CB 4.12Å; D228-P234 HydrophobicContact CB-CG 4.22Å; D228-H293 WeakPolarHBondContact OD1-CB 3.46Å; D228-H293 IonicContact OD1-CG 2.77Å; D228-H293 IonicContact OD1-ND1 2.97Å; D228-H293 PolarHBondContact OD1-ND1 2.82Å; D228-H293 IonicContact OD2-CE1 3.43Å; D228-H293 IonicContact OD2-CG 3.1Å; D228-H293 IonicContact OD2-ND1 2.81Å; D228-H293 PolarHBondContact OD2-ND1 2.83Å
229	T	93.1	Very high	97.3	Very high	59 Å²	59	27.6 Å²	27.6	36%	0.362	14%	0.143	S	C	.	.	S	Bend	trans	-100.4	0.3	176.9	66.1	0	0	0	0	113.4	R153 E227 D292	R153-T229 PolarHBondContact N-O 3.13Å; E227-T229 WeakPolarHBondContact O-CG2 3.05Å; E227-T229 PolarHBondContact O-N 3.31Å; E227-T229 VanDerWaalsContact O-N 3.14Å; T229-D292 PolarHBondContact N-OD1 3.44Å; T229-D292 PolarHBondContact OG1-OD1 3.01Å; T229-D292 PolarHBondContact OG1-OD2 3.17Å; T229-D292 VanDerWaalsContact OG1-OD2 3.11Å
230	M	92.5	Very high	97.3	Very high	59 Å²	59	26 Å²	26	29%	0.291	14%	0.135	S	C	.	.	S	Bend	trans	-102.1	-43.7	-175.6	-62.3	-65.6	-63.7	0	0	111.9	P152 R153 D228 H293	P152-M230 HydrophobicContact CB-CE 3.66Å; P152-M230 HydrophobicContact CB-SD 3.73Å; P152-M230 HydrophobicContact CG-CE 3.95Å; R153-M230 HydrophobicContact CG-SD 4.41Å; D228-M230 WeakPolarHBondContact OD1-CA 3.2Å; D228-M230 PolarHBondContact OD1-N 3.01Å; M230-H293 HydrophobicContact CB-CB 3.64Å; M230-H293 HydrophobicContact CG-CB 3.44Å; M230-H293 VanDerWaalsContact CG-CB 3.44Å
231	V	95.7	Very high	97.2	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.024	14%	0.136	C	C	.	.	S	Bend	trans	-91.6	125.1	-178.2	-179.6	0	0	0	0	109.6	Q144 V148 D228 P233 P234 H293	Q144-V231 HydrophobicContact CG-CB 4.41Å; Q144-V231 HydrophobicContact CG-CG1 3.66Å; Q144-V231 HydrophobicContact CG-CG2 3.83Å; V148-V231 HydrophobicContact CG1-CG1 4.26Å; D228-V231 PolarHBondContact OD1-N 3.31Å; V231-P233 WeakPolarHBondContact CG1-O 3.34Å; V231-P233 CarbonylContact O-C 3.51Å; V231-P234 VanDerWaalsContact O-CD 3.29Å; V231-P234 WeakPolarHBondContact O-CD 3.43Å; V231-P234 WeakPolarHBondContact O-CG 3.37Å; V231-H293 WeakPolarHBondContact CG2-CE1 3.4Å
232	V	95.6	Very high	97.2	Very high	32 Å²	32	27.3 Å²	27.3	19%	0.194	14%	0.14	C	C	.	.	S	Bend	trans	-127.2	115.5	179.3	-179	0	0	0	0	109.4	V148 F149 F242	V148-V232 CarbonylContact C-O 3.53Å; V148-V232 WeakPolarHBondContact CA-O 3.22Å; F149-V232 PolarHBondContact N-O 3.25Å; V232-F242 HydrophobicContact CG1-CE2 4.19Å; V232-F242 HydrophobicContact CG1-CZ 4.17Å
233	P	96.7	Very high	97.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.013	16%	0.155	C	C	.	.	S	Bend	cis	-78	147.4	-7.1	33.4	-32.2	0	0	0	111.9	V231 E235 S236 F241 F242 V250	V231-P233 WeakPolarHBondContact CG1-O 3.34Å; V231-P233 CarbonylContact O-C 3.51Å; P233-E235 WeakPolarHBondContact CB-OE2 3.2Å; P233-E235 PolarHBondContact O-N 2.96Å; P233-E235 VanDerWaalsContact O-N 3.1Å; P233-S236 VanDerWaalsContact O-CB 3.26Å; P233-S236 WeakPolarHBondContact O-CB 3.39Å; P233-S236 PolarHBondContact O-N 2.91Å; P233-F241 VanDerWaalsContact CD-CE2 3.46Å; P233-F241 HydrophobicContact CG-CD2 3.82Å; P233-F241 HydrophobicContact CG-CE2 4.16Å; P233-F242 HydrophobicContact CB-CE1 4.39Å; P233-F242 HydrophobicContact CB-CE2 4.17Å; P233-F242 HydrophobicContact CB-CZ 4.02Å; P233-F242 HydrophobicContact CG-CD2 4.1Å; P233-F242 HydrophobicContact CG-CE2 4.01Å; P233-F242 HydrophobicContact CG-CZ 4.33Å; P233-V250 HydrophobicContact CB-CG1 4.18Å; P233-V250 HydrophobicContact CB-CG2 3.86Å; P233-V250 HydrophobicContact CG-CG1 4.27Å; P233-V250 HydrophobicContact CG-CG2 4.43Å
234	P	97	Very high	97	Very high	37 Å²	37	34.2 Å²	34.2	24%	0.24	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-54.3	-30.1	178	-28.5	36.2	0	0	0	114.2	D228 V231 S236 S237	D228-P234 HydrophobicContact CB-CB 4.12Å; D228-P234 HydrophobicContact CB-CG 4.22Å; V231-P234 VanDerWaalsContact O-CD 3.29Å; V231-P234 WeakPolarHBondContact O-CD 3.43Å; V231-P234 WeakPolarHBondContact O-CG 3.37Å; P234-S236 PolarHBondContact O-N 3.28Å; P234-S236 VanDerWaalsContact O-N 3.12Å; P234-S237 WeakPolarHBondContact O-CB 3.15Å; P234-S237 PolarHBondContact O-N 2.88Å; P234-S237 PolarHBondContact O-OG 2.95Å
235	E	98	Very high	96.8	Very high	70 Å²	70	35.7 Å²	35.7	33%	0.327	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-59.5	-17.7	176	-66.6	80.7	176.8	0	0	113.5	P233 S237 W238 F239 G240 V250	P233-E235 WeakPolarHBondContact CB-OE2 3.2Å; P233-E235 PolarHBondContact O-N 2.96Å; P233-E235 VanDerWaalsContact O-N 3.1Å; E235-S237 PolarHBondContact O-N 3.41Å; E235-S237 VanDerWaalsContact O-N 3.13Å; E235-W238 CarbonylContact O-C 3.58Å; E235-W238 WeakPolarHBondContact O-CA 3.33Å; E235-W238 PolarHBondContact O-N 3.22Å; E235-F239 PolarHBondContact O-N 2.86Å; E235-G240 CarbonylContact C-O 3.44Å; E235-G240 WeakPolarHBondContact O-CA 3.34Å; E235-G240 PolarHBondContact O-N 3.5Å; E235-V250 HydrophobicContact CB-CG1 3.64Å; E235-V250 HydrophobicContact CG-CG1 3.67Å
236	S	98.5	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-57.5	-24.2	170.5	-168.9	0	0	0	0	112.4	Q144 H145 Q146 G147 P233 P234 W238 F239 G240	Q144-S236 VanDerWaalsContact C-OG 3.27Å; Q144-S236 WeakPolarHBondContact CA-OG 3.24Å; H145-S236 PolarHBondContact N-O 2.74Å; H145-S236 PolarHBondContact N-OG 3.4Å; Q146-S236 PolarHBondContact N-OG 2.98Å; Q146-S236 VanDerWaalsContact N-OG 3.15Å; G147-S236 PolarHBondContact N-OG 3.19Å; G147-S236 WeakPolarHBondContact O-CB 3.45Å; G147-S236 PolarHBondContact O-OG 3.49Å; P233-S236 VanDerWaalsContact O-CB 3.26Å; P233-S236 WeakPolarHBondContact O-CB 3.39Å; P233-S236 PolarHBondContact O-N 2.91Å; P234-S236 PolarHBondContact O-N 3.28Å; P234-S236 VanDerWaalsContact O-N 3.12Å; S236-W238 PolarHBondContact O-N 3.35Å; S236-F239 PolarHBondContact O-N 3.08Å; S236-G240 WeakPolarHBondContact CA-O 3.46Å; S236-G240 PolarHBondContact N-O 2.77Å
237	S	98.5	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.8	-25.7	170.4	-49	0	0	0	0	113.5	G143 M222 P234 E235	G143-S237 WeakPolarHBondContact O-CA 3.27Å; G143-S237 PolarHBondContact O-N 3.44Å; G143-S237 PolarHBondContact O-OG 3.3Å; M222-S237 WeakPolarHBondContact CB-O 3.38Å; P234-S237 WeakPolarHBondContact O-CB 3.15Å; P234-S237 PolarHBondContact O-N 2.88Å; P234-S237 PolarHBondContact O-OG 2.95Å; E235-S237 PolarHBondContact O-N 3.41Å; E235-S237 VanDerWaalsContact O-N 3.13Å
238	W	98.7	Very high	96.3	Very high	55 Å²	55	40.5 Å²	40.5	21%	0.208	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-115.2	27.2	177.7	-74.9	-8.8	0	0	0	112.1	M222 K224 E235 S236 G240 F286 L287 E288	M222-W238 PolarHBondContact O-NE1 3.36Å; K224-W238 HydrophobicContact CB-CD2 3.93Å; K224-W238 HydrophobicContact CB-CG 4.13Å; K224-W238 HydrophobicContact CB-CZ2 4.08Å; K224-W238 HydrophobicContact CD-CD2 3.99Å; K224-W238 HydrophobicContact CD-CE3 4Å; K224-W238 HydrophobicContact CD-CG 4.39Å; K224-W238 HydrophobicContact CD-CZ3 4.42Å; K224-W238 VanDerWaalsContact NZ-CZ3 3.29Å; E235-W238 CarbonylContact O-C 3.58Å; E235-W238 WeakPolarHBondContact O-CA 3.33Å; E235-W238 PolarHBondContact O-N 3.22Å; S236-W238 PolarHBondContact O-N 3.35Å; W238-G240 PolarHBondContact O-N 2.98Å; W238-G240 VanDerWaalsContact O-N 3.11Å; W238-F286 HydrophobicContact CB-CD1 3.9Å; W238-F286 HydrophobicContact CB-CE1 4.07Å; W238-F286 AromaticContact CD1-CD1 3.79Å; W238-F286 HydrophobicContact CD2-CB 4.24Å; W238-F286 AromaticContact CD2-CD1 3.76Å; W238-F286 HydrophobicContact CD2-CD1 3.76Å; W238-F286 HydrophobicContact CD2-CG 4.5Å; W238-F286 HydrophobicContact CE3-CD1 4.32Å; W238-F286 AromaticContact CG-CD1 3.58Å; W238-F286 HydrophobicContact CG-CD1 3.58Å; W238-F286 HydrophobicContact CG-CE1 4.25Å; W238-F286 HydrophobicContact CH2-CB 4.4Å; W238-F286 HydrophobicContact CZ2-CB 3.85Å; W238-L287 VanDerWaalsContact CZ2-O 3.23Å; W238-L287 WeakPolarHBondContact CZ2-O 3.43Å; W238-L287 PolarHBondContact NE1-O 3.23Å; W238-E288 HydrophobicContact CH2-CB 4Å; W238-E288 HydrophobicContact CH2-CG 4.47Å; W238-E288 HydrophobicContact CZ2-CB 3.88Å
239	F	98.6	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	12.1	-176.3	-83.9	-88.1	0	0	0	116.1	H145 Q146 F220 M222 E235 S236 L253 L258 L273 L275	H145-F239 HydrophobicContact CB-CD1 3.59Å; H145-F239 HydrophobicContact CB-CD2 3.6Å; H145-F239 HydrophobicContact CB-CE1 3.59Å; H145-F239 HydrophobicContact CB-CE2 3.57Å; H145-F239 HydrophobicContact CB-CG 3.62Å; H145-F239 HydrophobicContact CB-CZ 3.59Å; H145-F239 AromaticContact CG-CD2 3.9Å; H145-F239 AromaticContact CG-CE2 3.57Å; H145-F239 AromaticContact CG-CZ 3.86Å; H145-F239 AromaticContact ND1-CE2 3.82Å; H145-F239 AromaticContact ND1-CZ 3.87Å; Q146-F239 HydrophobicContact CG-CD1 4.28Å; Q146-F239 WeakPolarHBondContact CG-O 3.19Å; Q146-F239 PolarHBondContact NE2-O 3.38Å; F220-F239 AromaticContact CE1-CE2 3.61Å; F220-F239 HydrophobicContact CE1-CE2 3.61Å; F220-F239 HydrophobicContact CE1-CZ 4.2Å; F220-F239 AromaticContact CZ-CE2 3.73Å; F220-F239 HydrophobicContact CZ-CE2 3.73Å; F220-F239 HydrophobicContact CZ-CZ 4.43Å; M222-F239 HydrophobicContact SD-CD2 3.61Å; M222-F239 HydrophobicContact SD-CE2 4.01Å; E235-F239 PolarHBondContact O-N 2.86Å; S236-F239 PolarHBondContact O-N 3.08Å; F239-L253 HydrophobicContact CB-CB 4.15Å; F239-L253 HydrophobicContact CB-CD1 3.65Å; F239-L253 HydrophobicContact CB-CD2 4.39Å; F239-L253 HydrophobicContact CB-CG 4.26Å; F239-L253 HydrophobicContact CG-CD1 4.36Å; F239-L258 HydrophobicContact CD1-CD2 3.4Å; F239-L258 HydrophobicContact CE1-CD2 3.69Å; F239-L258 HydrophobicContact CG-CD2 4.35Å; F239-L273 HydrophobicContact CE1-CD1 4.02Å; F239-L273 HydrophobicContact CZ-CD1 4.32Å; F239-L275 HydrophobicContact CD1-CD1 3.96Å; F239-L275 HydrophobicContact CD2-CD1 4.1Å; F239-L275 HydrophobicContact CE1-CD1 3.89Å; F239-L275 HydrophobicContact CE2-CD1 4.04Å; F239-L275 HydrophobicContact CE2-CD2 4.2Å; F239-L275 HydrophobicContact CG-CD1 4.05Å; F239-L275 HydrophobicContact CZ-CD1 3.91Å; F239-L275 HydrophobicContact CZ-CD2 4.36Å
240	G	98.4	Very high	96.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.01	23%	0.229	C	C	.	.			trans	-75.6	158.3	166.6	0	0	0	0	0	111.4	E235 S236 W238 L251	E235-G240 CarbonylContact C-O 3.44Å; E235-G240 WeakPolarHBondContact O-CA 3.34Å; E235-G240 PolarHBondContact O-N 3.5Å; S236-G240 WeakPolarHBondContact CA-O 3.46Å; S236-G240 PolarHBondContact N-O 2.77Å; W238-G240 PolarHBondContact O-N 2.98Å; W238-G240 VanDerWaalsContact O-N 3.11Å; G240-L251 CarbonylContact C-O 3.53Å; G240-L251 WeakPolarHBondContact CA-O 3.35Å
241	F	98.4	Very high	96.9	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	172.6	177	-153.9	-114.2	0	0	0	112.2	Q146 F149 H182 P184 P233 V250 L251	Q146-F241 HydrophobicContact CB-CB 3.73Å; Q146-F241 HydrophobicContact CB-CD2 3.54Å; Q146-F241 HydrophobicContact CB-CE2 4.37Å; Q146-F241 HydrophobicContact CB-CG 3.77Å; Q146-F241 HydrophobicContact CG-CB 3.95Å; F149-F241 HydrophobicContact CB-CZ 3.99Å; H182-F241 HydrophobicContact CB-CE1 3.85Å; H182-F241 HydrophobicContact CB-CE2 4.33Å; H182-F241 HydrophobicContact CB-CZ 3.56Å; H182-F241 AromaticContact CD2-CE1 3.66Å; H182-F241 AromaticContact CE1-CD1 3.51Å; H182-F241 AromaticContact CE1-CE1 3.63Å; H182-F241 AromaticContact CG-CE1 3.32Å; H182-F241 AromaticContact CG-CZ 3.57Å; H182-F241 AromaticContact ND1-CD1 3.5Å; H182-F241 WeakPolarHBondContact ND1-CD1 3.24Å; H182-F241 AromaticContact ND1-CE1 3.29Å; H182-F241 VanDerWaalsContact ND1-CE1 3.29Å; H182-F241 WeakPolarHBondContact ND1-CE1 3.46Å; H182-F241 AromaticContact ND1-CZ 3.67Å; H182-F241 AromaticContact NE2-CE1 3.85Å; H182-F241 WeakPolarHBondContact O-CZ 3.01Å; P184-F241 HydrophobicContact CB-CE1 4.22Å; P184-F241 HydrophobicContact CG-CE1 4.46Å; P233-F241 VanDerWaalsContact CD-CE2 3.46Å; P233-F241 HydrophobicContact CG-CD2 3.82Å; P233-F241 HydrophobicContact CG-CE2 4.16Å; F241-V250 CarbonylContact O-C 3.51Å; F241-V250 WeakPolarHBondContact O-CA 2.77Å; F241-V250 WeakPolarHBondContact O-CG1 3.43Å; F241-L251 PolarHBondContact N-O 3.37Å; F241-L251 PolarHBondContact O-N 3.34Å
242	F	97.9	Very high	97	Very high	21 Å²	21	44.7 Å²	44.7	9%	0.092	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	142.1	172.6	-68.8	-63.1	0	0	0	111.7	F149 P184 V232 P233 E247 R249 V250	F149-F242 HydrophobicContact CB-CD2 4.04Å; F149-F242 HydrophobicContact CB-CE2 4.04Å; F149-F242 HydrophobicContact CD1-CD2 4.32Å; F149-F242 HydrophobicContact CD1-CE2 4.3Å; P184-F242 HydrophobicContact CB-CB 3.77Å; P184-F242 HydrophobicContact CG-CB 3.84Å; P184-F242 HydrophobicContact CG-CD2 4.1Å; P184-F242 HydrophobicContact CG-CG 4.29Å; V232-F242 HydrophobicContact CG1-CE2 4.19Å; V232-F242 HydrophobicContact CG1-CZ 4.17Å; P233-F242 HydrophobicContact CB-CE1 4.39Å; P233-F242 HydrophobicContact CB-CE2 4.17Å; P233-F242 HydrophobicContact CB-CZ 4.02Å; P233-F242 HydrophobicContact CG-CD2 4.1Å; P233-F242 HydrophobicContact CG-CE2 4.01Å; P233-F242 HydrophobicContact CG-CZ 4.33Å; F242-E247 VanDerWaalsContact CD1-C 3.4Å; F242-E247 VanDerWaalsContact CE1-C 3.41Å; F242-E247 WeakPolarHBondContact CE1-O 3.37Å; F242-R249 WeakPolarHBondContact CA-O 3.49Å; F242-V250 HydrophobicContact CD1-CG2 3.7Å; F242-V250 HydrophobicContact CE1-CG2 3.64Å
243	E	96.8	Very high	97.1	Very high	64 Å²	64	43.3 Å²	43.3	30%	0.299	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-62.6	132.9	170.5	-179.6	168.2	-126.1	0	0	110	G245 Q246 R249 L251	E243-G245 PolarHBondContact O-N 3.01Å; E243-Q246 HydrophobicContact CB-CG 4.39Å; E243-Q246 VanDerWaalsContact N-NE2 3.12Å; E243-Q246 WeakPolarHBondContact O-CG 3.34Å; E243-Q246 PolarHBondContact O-N 3.35Å; E243-Q246 PolarHBondContact O-NE2 2.92Å; E243-Q246 VanDerWaalsContact O-O 3.12Å; E243-R249 PolarHBondContact N-O 3.02Å; E243-R249 IonicContact OE1-CZ 2.83Å; E243-R249 IonicContact OE1-NH1 2.73Å; E243-R249 PolarHBondContact OE1-NH1 2.96Å; E243-R249 WeakPolarHBondContact OE2-CD 2.93Å; E243-R249 IonicContact OE2-CZ 3.04Å; E243-R249 IonicContact OE2-NE 2.63Å; E243-R249 IonicContact OE2-NH1 3.78Å; E243-R249 PolarHBondContact OE2-NH1 3.28Å; E243-L251 HydrophobicContact CB-CD1 3.96Å; E243-L251 HydrophobicContact CB-CD2 4.07Å; E243-L251 HydrophobicContact CB-CG 3.83Å; E243-L251 HydrophobicContact CG-CD1 4.11Å; E243-L251 HydrophobicContact CG-CD2 4.4Å; E243-L251 HydrophobicContact CG-CG 4.4Å
244	P	96	Very high	97	Very high	81 Å²	81	46.2 Å²	46.2	53%	0.526	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	135.2	178.1	-34.8	39.4	0	0	0	114.1	E187	E187-P244 HydrophobicContact CG-CB 4.01Å; E187-P244 HydrophobicContact CG-CG 4.41Å
245	G	96.2	Very high	96.8	Very high	58 Å²	58	48.1 Å²	48.1	60%	0.598	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	90	-0.5	-179.7	0	0	0	0	0	115.2	P184 E243	P184-G245 WeakPolarHBondContact O-CA 3.34Å; P184-G245 PolarHBondContact O-N 3.29Å; E243-G245 PolarHBondContact O-N 3.01Å
246	Q	94.3	Very high	96.6	Very high	47 Å²	47	45.3 Å²	45.3	22%	0.22	23%	0.233	C	C	.	.			trans	-155.5	167.8	-177.7	61.5	79.8	60.3	0	0	113.2	P184 E243 K248 R249	P184-Q246 WeakPolarHBondContact CB-O 3.3Å; P184-Q246 WeakPolarHBondContact CG-O 3.42Å; E243-Q246 HydrophobicContact CB-CG 4.39Å; E243-Q246 VanDerWaalsContact N-NE2 3.12Å; E243-Q246 WeakPolarHBondContact O-CG 3.34Å; E243-Q246 PolarHBondContact O-N 3.35Å; E243-Q246 PolarHBondContact O-NE2 2.92Å; E243-Q246 VanDerWaalsContact O-O 3.12Å; Q246-K248 VanDerWaalsContact OE1-CA 3.29Å; Q246-R249 PolarHBondContact NE2-O 3.41Å
247	E	92.7	Very high	96.2	Very high	59 Å²	59	48 Å²	48	28%	0.276	25%	0.254	S	S	.	.	S	Bend	trans	-124.1	27.3	-176.4	63.9	169	177.7	0	0	113.9	F149 H161 R164 L185 F242	F149-E247 HydrophobicContact CD1-CB 3.95Å; F149-E247 HydrophobicContact CE1-CB 3.76Å; F149-E247 HydrophobicContact CE1-CG 4.44Å; F149-E247 VanDerWaalsContact CE1-OE2 3.24Å; F149-E247 WeakPolarHBondContact CE1-OE2 3.41Å; H161-E247 IonicContact CE1-OE1 3.75Å; H161-E247 PolarHBondContact CE1-OE1 2.92Å; H161-E247 IonicContact ND1-OE1 3.56Å; R164-E247 IonicContact NH1-OE2 2.72Å; R164-E247 PolarHBondContact NH1-OE2 2.8Å; L185-E247 HydrophobicContact CD2-CB 4.44Å; F242-E247 VanDerWaalsContact CD1-C 3.4Å; F242-E247 VanDerWaalsContact CE1-C 3.41Å; F242-E247 WeakPolarHBondContact CE1-O 3.37Å
248	K	93.7	Very high	95.9	Very high	184 Å²	184	48.1 Å²	48.1	80%	0.8	26%	0.255	S	S	*	.	S	Bend	trans	-118.1	-59.4	-175.7	-63.4	-177.9	178.7	178.3	0	113.5	Q246	Q246-K248 VanDerWaalsContact OE1-CA 3.29Å
249	R	97.1	Very high	95.7	Very high	116 Å²	116	46.9 Å²	46.9	44%	0.438	25%	0.251	S	S	.	.			trans	-75	127.1	176.4	178.8	170.3	167.5	-142.1	-1.5	109.2	F242 E243 Q246 L251 E255	F242-R249 WeakPolarHBondContact CA-O 3.49Å; E243-R249 PolarHBondContact N-O 3.02Å; E243-R249 IonicContact OE1-CZ 2.83Å; E243-R249 IonicContact OE1-NH1 2.73Å; E243-R249 PolarHBondContact OE1-NH1 2.96Å; E243-R249 WeakPolarHBondContact OE2-CD 2.93Å; E243-R249 IonicContact OE2-CZ 3.04Å; E243-R249 IonicContact OE2-NE 2.63Å; E243-R249 IonicContact OE2-NH1 3.78Å; E243-R249 PolarHBondContact OE2-NH1 3.28Å; Q246-R249 PolarHBondContact NE2-O 3.41Å; R249-L251 HydrophobicContact CG-CD2 4.41Å; R249-E255 IonicContact NH2-OE2 3.52Å; R249-E255 PolarHBondContact NH2-OE2 3.04Å
250	V	97.8	Very high	95	Very high	39 Å²	39	51.1 Å²	51.1	24%	0.236	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.2	174	-176.9	0	0	0	0	108.1	P233 E235 F241 F242	P233-V250 HydrophobicContact CB-CG1 4.18Å; P233-V250 HydrophobicContact CB-CG2 3.86Å; P233-V250 HydrophobicContact CG-CG1 4.27Å; P233-V250 HydrophobicContact CG-CG2 4.43Å; E235-V250 HydrophobicContact CB-CG1 3.64Å; E235-V250 HydrophobicContact CG-CG1 3.67Å; F241-V250 CarbonylContact O-C 3.51Å; F241-V250 WeakPolarHBondContact O-CA 2.77Å; F241-V250 WeakPolarHBondContact O-CG1 3.43Å; F242-V250 HydrophobicContact CD1-CG2 3.7Å; F242-V250 HydrophobicContact CE1-CG2 3.64Å
251	L	97.9	Very high	93.4	Very high	15 Å²	15	57.5 Å²	57.5	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.7	174.2	-57.9	-178.4	0	0	0	109.4	G240 F241 E243 R249 E255 T256	G240-L251 CarbonylContact C-O 3.53Å; G240-L251 WeakPolarHBondContact CA-O 3.35Å; F241-L251 PolarHBondContact N-O 3.37Å; F241-L251 PolarHBondContact O-N 3.34Å; E243-L251 HydrophobicContact CB-CD1 3.96Å; E243-L251 HydrophobicContact CB-CD2 4.07Å; E243-L251 HydrophobicContact CB-CG 3.83Å; E243-L251 HydrophobicContact CG-CD1 4.11Å; E243-L251 HydrophobicContact CG-CD2 4.4Å; E243-L251 HydrophobicContact CG-CG 4.4Å; R249-L251 HydrophobicContact CG-CD2 4.41Å; L251-E255 HydrophobicContact CB-CB 4.08Å; L251-E255 HydrophobicContact CD2-CB 4.32Å; L251-T256 HydrophobicContact CB-CG2 4.27Å
252	P	97.8	Very high	91.3	Very high	52 Å²	52	59.9 Å²	59.9	34%	0.338	31%	0.313	S	S	.	.			trans	-65.7	161.4	165.6	31.3	-36.3	0	0	0	110.4	E254 E255 T256	P252-E254 PolarHBondContact O-N 2.89Å; P252-E254 VanDerWaalsContact O-N 3.09Å; P252-E255 HydrophobicContact CG-CB 4.11Å; P252-E255 HydrophobicContact CG-CG 3.95Å; P252-E255 PolarHBondContact O-N 3.14Å; P252-T256 WeakPolarHBondContact O-CG2 3.45Å; P252-T256 PolarHBondContact O-N 2.76Å
253	L	97.1	Very high	88.8	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.016	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-45.4	-47	-178.5	166.3	63.7	0	0	0	112	F239 E255 T256 L258 Y259 L275 L284 F286	F239-L253 HydrophobicContact CB-CB 4.15Å; F239-L253 HydrophobicContact CB-CD1 3.65Å; F239-L253 HydrophobicContact CB-CD2 4.39Å; F239-L253 HydrophobicContact CB-CG 4.26Å; F239-L253 HydrophobicContact CG-CD1 4.36Å; L253-E255 PolarHBondContact O-N 2.92Å; L253-E255 VanDerWaalsContact O-N 3.17Å; L253-T256 WeakPolarHBondContact O-CB 3.29Å; L253-T256 PolarHBondContact O-N 3.22Å; L253-T256 PolarHBondContact O-OG1 3.03Å; L253-L258 HydrophobicContact CD1-CD2 4.28Å; L253-Y259 HydrophobicContact CD1-CD2 3.85Å; L253-Y259 HydrophobicContact CD1-CG 4.23Å; L253-Y259 HydrophobicContact CD2-CD2 3.79Å; L253-Y259 HydrophobicContact CD2-CE2 4.11Å; L253-Y259 HydrophobicContact CG-CD2 3.56Å; L253-Y259 HydrophobicContact CG-CE2 4.28Å; L253-Y259 HydrophobicContact CG-CG 4.06Å; L253-Y259 WeakPolarHBondContact O-CB 3.48Å; L253-L275 HydrophobicContact CD1-CD1 3.79Å; L253-L284 HydrophobicContact CD2-CD2 3.93Å; L253-F286 HydrophobicContact CD2-CE1 4.37Å; L253-F286 HydrophobicContact CD2-CZ 3.94Å
254	E	94.8	Very high	86.5	Confident	63 Å²	63	66.9 Å²	66.9	29%	0.294	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-65	-20.8	-174.8	-59.5	74.4	-167	0	0	113.3	P252 Y259 K260 K279	P252-E254 PolarHBondContact O-N 2.89Å; P252-E254 VanDerWaalsContact O-N 3.09Å; E254-Y259 HydrophobicContact CB-CD1 4.2Å; E254-Y259 HydrophobicContact CB-CE1 4.26Å; E254-Y259 HydrophobicContact CG-CD1 4.39Å; E254-Y259 HydrophobicContact CG-CE1 4.08Å; E254-K260 WeakPolarHBondContact O-CE 3.38Å; E254-K260 WeakPolarHBondContact O-CG 3.2Å; E254-K279 IonicContact OE1-NZ 3.9Å; E254-K279 PolarHBondContact OE1-NZ 3.17Å
255	E	94.6	Very high	84	Confident	77 Å²	77	68.2 Å²	68.2	36%	0.36	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-91.1	-13.9	176.4	-75	-175.2	-134.9	0	0	113.5	R249 L251 P252 L253 K260	R249-E255 IonicContact NH2-OE2 3.52Å; R249-E255 PolarHBondContact NH2-OE2 3.04Å; L251-E255 HydrophobicContact CB-CB 4.08Å; L251-E255 HydrophobicContact CD2-CB 4.32Å; P252-E255 HydrophobicContact CG-CB 4.11Å; P252-E255 HydrophobicContact CG-CG 3.95Å; P252-E255 PolarHBondContact O-N 3.14Å; L253-E255 PolarHBondContact O-N 2.92Å; L253-E255 VanDerWaalsContact O-N 3.17Å; E255-K260 WeakPolarHBondContact O-CD 3.4Å; E255-K260 VanDerWaalsContact O-CE 3.32Å; E255-K260 WeakPolarHBondContact O-CE 3.41Å; E255-K260 PolarHBondContact O-NZ 2.78Å
256	T	93.8	Very high	81.7	Confident	11 Å²	11	72.8 Å²	72.8	7%	0.067	38%	0.384	C	S	.	.	S	Bend	trans	-76.7	155.2	-177.8	71.5	0	0	0	0	112.9	L251 P252 L253 L258 Y259 K260	L251-T256 HydrophobicContact CB-CG2 4.27Å; P252-T256 WeakPolarHBondContact O-CG2 3.45Å; P252-T256 PolarHBondContact O-N 2.76Å; L253-T256 WeakPolarHBondContact O-CB 3.29Å; L253-T256 PolarHBondContact O-N 3.22Å; L253-T256 PolarHBondContact O-OG1 3.03Å; T256-L258 PolarHBondContact O-N 3.02Å; T256-L258 WeakPolarHBondContact OG1-CB 3.41Å; T256-L258 PolarHBondContact OG1-N 3.27Å; T256-Y259 PolarHBondContact O-N 3.01Å; T256-K260 WeakPolarHBondContact O-CB 3.45Å; T256-K260 WeakPolarHBondContact O-CG 2.95Å; T256-K260 PolarHBondContact O-N 3.48Å
257	A	89.4	Confident	79.4	Confident	55 Å²	55	74.4 Å²	74.4	46%	0.455	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.9	171.9	0	0	0	0	0	113.7	R272	A257-R272 PolarHBondContact O-NE 3.25Å
258	L	92.4	Very high	77.1	Confident	4 Å²	4	78.5 Å²	78.5	2%	0.021	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-37.2	174.5	-171.8	79.2	0	0	0	111.5	N201 F239 L253 T256 R272 L273 L275	N201-L258 HydrophobicContact CB-CD1 4.3Å; N201-L258 WeakPolarHBondContact O-CD1 3.38Å; F239-L258 HydrophobicContact CD1-CD2 3.4Å; F239-L258 HydrophobicContact CE1-CD2 3.69Å; F239-L258 HydrophobicContact CG-CD2 4.35Å; L253-L258 HydrophobicContact CD1-CD2 4.28Å; T256-L258 PolarHBondContact O-N 3.02Å; T256-L258 WeakPolarHBondContact OG1-CB 3.41Å; T256-L258 PolarHBondContact OG1-N 3.27Å; L258-R272 HydrophobicContact CD1-CB 4.04Å; L258-R272 PolarHBondContact O-N 2.94Å; L258-R272 VanDerWaalsContact O-N 3.14Å; L258-L273 HydrophobicContact CD1-CD1 3.86Å; L258-L273 HydrophobicContact CD1-CG 3.92Å; L258-L273 HydrophobicContact CD2-CD1 4.14Å; L258-L273 HydrophobicContact CG-CD1 4.35Å; L258-L275 HydrophobicContact CD2-CD1 3.64Å; L258-L275 HydrophobicContact CG-CD1 4.32Å
259	Y	93.2	Very high	75.2	Confident	29 Å²	29	72.2 Å²	72.2	11%	0.114	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-37.1	-175.4	-170.3	-87.7	0	0	0	113.2	L253 E254 T256 L275 K276 K279	L253-Y259 HydrophobicContact CD1-CD2 3.85Å; L253-Y259 HydrophobicContact CD1-CG 4.23Å; L253-Y259 HydrophobicContact CD2-CD2 3.79Å; L253-Y259 HydrophobicContact CD2-CE2 4.11Å; L253-Y259 HydrophobicContact CG-CD2 3.56Å; L253-Y259 HydrophobicContact CG-CE2 4.28Å; L253-Y259 HydrophobicContact CG-CG 4.06Å; L253-Y259 WeakPolarHBondContact O-CB 3.48Å; E254-Y259 HydrophobicContact CB-CD1 4.2Å; E254-Y259 HydrophobicContact CB-CE1 4.26Å; E254-Y259 HydrophobicContact CG-CD1 4.39Å; E254-Y259 HydrophobicContact CG-CE1 4.08Å; T256-Y259 PolarHBondContact O-N 3.01Å; Y259-L275 HydrophobicContact CD2-CB 4.22Å; Y259-K276 HydrophobicContact CD1-CB 4.41Å; Y259-K276 HydrophobicContact CD2-CB 4.12Å; Y259-K276 HydrophobicContact CE1-CB 4.03Å; Y259-K276 HydrophobicContact CE1-CD 4.35Å; Y259-K276 HydrophobicContact CE1-CG 3.98Å; Y259-K276 HydrophobicContact CE2-CB 3.75Å; Y259-K276 HydrophobicContact CE2-CG 4.4Å; Y259-K276 HydrophobicContact CG-CB 4.45Å; Y259-K279 HydrophobicContact CE2-CB 4.41Å; Y259-K279 HydrophobicContact CE2-CD 4.23Å; Y259-K279 WeakPolarHBondContact OH-CD 3.08Å
260	K	85.3	Confident	73.6	Confident	89 Å²	89	73.1 Å²	73.1	39%	0.387	40%	0.398	S	S	.	.			trans	-68.3	134.7	-177.9	-76.6	176.8	169.9	155.9	0	111.1	E254 E255 T256 V262	E254-K260 WeakPolarHBondContact O-CE 3.38Å; E254-K260 WeakPolarHBondContact O-CG 3.2Å; E255-K260 WeakPolarHBondContact O-CD 3.4Å; E255-K260 VanDerWaalsContact O-CE 3.32Å; E255-K260 WeakPolarHBondContact O-CE 3.41Å; E255-K260 PolarHBondContact O-NZ 2.78Å; T256-K260 WeakPolarHBondContact O-CB 3.45Å; T256-K260 WeakPolarHBondContact O-CG 2.95Å; T256-K260 PolarHBondContact O-N 3.48Å; K260-V262 HydrophobicContact CB-CG2 4.05Å; K260-V262 PolarHBondContact O-N 1.95Å
261	E	64.1	Low	72.8	Confident	135 Å²	135	72.6 Å²	72.6	63%	0.631	39%	0.394	S	S	*	.			trans	-80.6	107	163.5	-174.1	175.1	-176.7	0	0	107.2	K276	E261-K276 IonicContact OE2-NZ 3.55Å; E261-K276 PolarHBondContact OE2-NZ 2.85Å
262	V	54.6	Low	72.4	Confident	55 Å²	55	73.2 Å²	73.2	33%	0.333	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	103.1	175.5	-173.9	0	0	0	0	108.1	K260 L264 L269	K260-V262 HydrophobicContact CB-CG2 4.05Å; K260-V262 PolarHBondContact O-N 1.95Å; V262-L264 HydrophobicContact CG1-CD1 4.23Å; V262-L264 HydrophobicContact CG1-CG 3.99Å; V262-L264 PolarHBondContact O-N 3.49Å; V262-L269 HydrophobicContact CB-CB 4.33Å; V262-L269 HydrophobicContact CB-CD1 3.94Å; V262-L269 HydrophobicContact CG1-CD1 4.39Å; V262-L269 PolarHBondContact N-O 2.91Å; V262-L269 WeakPolarHBondContact O-CB 3.42Å
263	S	45.9	Very low	72.3	Confident	115 Å²	115	70.7 Å²	70.7	80%	0.804	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	95.7	166.6	-174	0	0	0	0	108.3
264	L	46.8	Very low	72.1	Confident	118 Å²	118	70.9 Å²	70.9	62%	0.618	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.5	157	-76.1	168.4	0	0	0	107.1	V262 D266 S267	V262-L264 HydrophobicContact CG1-CD1 4.23Å; V262-L264 HydrophobicContact CG1-CG 3.99Å; V262-L264 PolarHBondContact O-N 3.49Å; L264-D266 PolarHBondContact O-N 2.89Å; L264-S267 PolarHBondContact O-N 3.41Å
265	S	45.2	Very low	72.2	Confident	108 Å²	108	67.9 Å²	67.9	76%	0.755	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-9.6	-156.5	54.2	0	0	0	0	118.3
266	D	47.9	Very low	72.2	Confident	154 Å²	154	66.7 Å²	66.7	82%	0.824	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.1	13.1	-173.2	-63.6	-71.5	0	0	0	114.3	L264	L264-D266 PolarHBondContact O-N 2.89Å
267	S	44.3	Very low	72.1	Confident	82 Å²	82	71.3 Å²	71.3	57%	0.573	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.3	112.3	171.7	-171.9	0	0	0	0	110.4	L264 L269	L264-S267 PolarHBondContact O-N 3.41Å; S267-L269 PolarHBondContact O-N 3.33Å
268	H	45.5	Very low	72.5	Confident	144 Å²	144	68.7 Å²	68.7	67%	0.667	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	100.7	177.2	-61.6	-74.8	0	0	0	110.3	W270	H268-W270 VanDerWaalsContact C-N 3.27Å; H268-W270 HydrophobicContact CB-CD2 4.18Å; H268-W270 VanDerWaalsContact CB-CE2 3.44Å; H268-W270 HydrophobicContact CB-CG 4.37Å; H268-W270 HydrophobicContact CB-CZ2 3.77Å; H268-W270 AromaticContact CG-CZ2 3.83Å; H268-W270 PolarHBondContact O-N 3.13Å
269	L	54.2	Low	72.7	Confident	52 Å²	52	72 Å²	72	27%	0.272	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	84.5	166.8	-70.3	158.9	0	0	0	107.8	V262 S267	V262-L269 HydrophobicContact CB-CB 4.33Å; V262-L269 HydrophobicContact CB-CD1 3.94Å; V262-L269 HydrophobicContact CG1-CD1 4.39Å; V262-L269 PolarHBondContact N-O 2.91Å; V262-L269 WeakPolarHBondContact O-CB 3.42Å; S267-L269 PolarHBondContact O-N 3.33Å
270	W	63.7	Low	72.8	Confident	136 Å²	136	76.9 Å²	76.9	52%	0.515	40%	0.397	S	S	.	.			trans	-60.7	162.1	173.2	-58.5	100.1	0	0	0	111.6	H268 R272	H268-W270 VanDerWaalsContact C-N 3.27Å; H268-W270 HydrophobicContact CB-CD2 4.18Å; H268-W270 VanDerWaalsContact CB-CE2 3.44Å; H268-W270 HydrophobicContact CB-CG 4.37Å; H268-W270 HydrophobicContact CB-CZ2 3.77Å; H268-W270 AromaticContact CG-CZ2 3.83Å; H268-W270 PolarHBondContact O-N 3.13Å; W270-R272 WeakPolarHBondContact O-CA 3.47Å; W270-R272 WeakPolarHBondContact O-CG 3.24Å; W270-R272 PolarHBondContact O-N 3.3Å
271	D	81.2	Confident	73.3	Confident	28 Å²	28	77 Å²	77	15%	0.15	40%	0.399	C	S	.	.			trans	-50.1	91.4	154.3	175.3	8	0	0	0	108.4	L273 G274 L275 K276 K277	D271-L273 PolarHBondContact O-N 3.41Å; D271-G274 VanDerWaalsContact CG-C 3.46Å; D271-G274 PolarHBondContact O-N 2.84Å; D271-G274 VanDerWaalsContact OD1-C 3.32Å; D271-G274 WeakPolarHBondContact OD1-CA 3.2Å; D271-G274 PolarHBondContact OD1-N 3.5Å; D271-G274 WeakPolarHBondContact OD2-CA 3.4Å; D271-L275 PolarHBondContact OD1-N 3.49Å; D271-L275 PolarHBondContact OD2-N 3.29Å; D271-K276 HydrophobicContact CB-CB 4.22Å; D271-K276 VanDerWaalsContact CG-N 3.35Å; D271-K276 PolarHBondContact OD1-N 2.84Å; D271-K276 WeakPolarHBondContact OD2-CA 3.36Å; D271-K276 VanDerWaalsContact OD2-CB 3.3Å; D271-K276 WeakPolarHBondContact OD2-CB 3.46Å; D271-K276 PolarHBondContact OD2-N 3.45Å; D271-K277 PolarHBondContact OD2-N 3.43Å
272	R	89	Confident	75	Confident	27 Å²	27	78.9 Å²	78.9	10%	0.102	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.9	-156.8	-65.2	-167.4	-175.5	178.1	-3.6	113	N202 E203 I206 V211 A257 L258 W270	N202-R272 HydrophobicContact CB-CB 4.39Å; N202-R272 PolarHBondContact ND2-O 2.83Å; E203-R272 IonicContact OE2-NH1 3.52Å; E203-R272 PolarHBondContact OE2-NH1 3.09Å; I206-R272 HydrophobicContact CD1-CB 3.94Å; I206-R272 HydrophobicContact CD1-CG 3.74Å; V211-R272 VanDerWaalsContact CG2-O 3.24Å; V211-R272 WeakPolarHBondContact CG2-O 3.23Å; A257-R272 PolarHBondContact O-NE 3.25Å; L258-R272 HydrophobicContact CD1-CB 4.04Å; L258-R272 PolarHBondContact O-N 2.94Å; L258-R272 VanDerWaalsContact O-N 3.14Å; W270-R272 WeakPolarHBondContact O-CA 3.47Å; W270-R272 WeakPolarHBondContact O-CG 3.24Å; W270-R272 PolarHBondContact O-N 3.3Å
273	L	95.1	Very high	77	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-4.2	178.7	-70.8	-176	0	0	0	113.9	I200 N202 L214 F239 L258 D271 L275	I200-L273 VanDerWaalsContact O-CD2 3.3Å; I200-L273 WeakPolarHBondContact O-CD2 3.24Å; N202-L273 HydrophobicContact CB-CD2 4.42Å; L214-L273 HydrophobicContact CD2-CB 4Å; F239-L273 HydrophobicContact CE1-CD1 4.02Å; F239-L273 HydrophobicContact CZ-CD1 4.32Å; L258-L273 HydrophobicContact CD1-CD1 3.86Å; L258-L273 HydrophobicContact CD1-CG 3.92Å; L258-L273 HydrophobicContact CD2-CD1 4.14Å; L258-L273 HydrophobicContact CG-CD1 4.35Å; D271-L273 PolarHBondContact O-N 3.41Å; L273-L275 HydrophobicContact CB-CD1 4.38Å; L273-L275 HydrophobicContact CB-CG 3.98Å; L273-L275 HydrophobicContact CD1-CD1 4.37Å
274	G	93.8	Very high	79.5	Confident	6 Å²	6	73.4 Å²	73.4	6%	0.062	36%	0.361	C	S	.	.	S	Bend	trans	81.9	16.8	-172.8	0	0	0	0	0	114	D271 L278	D271-G274 VanDerWaalsContact CG-C 3.46Å; D271-G274 PolarHBondContact O-N 2.84Å; D271-G274 VanDerWaalsContact OD1-C 3.32Å; D271-G274 WeakPolarHBondContact OD1-CA 3.2Å; D271-G274 PolarHBondContact OD1-N 3.5Å; D271-G274 WeakPolarHBondContact OD2-CA 3.4Å; G274-L278 WeakPolarHBondContact O-CG 3.29Å; G274-L278 PolarHBondContact O-N 3.38Å
275	L	96.5	Very high	82	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-72.3	-36.3	-177.4	-65.7	177.8	0	0	0	112.4	L214 F220 F239 L253 L258 Y259 D271 L273 K277 L278 K279 L284	L214-L275 HydrophobicContact CD2-CD2 4.04Å; F220-L275 HydrophobicContact CD1-CD2 4.32Å; F220-L275 HydrophobicContact CE1-CD2 4.25Å; F239-L275 HydrophobicContact CD1-CD1 3.96Å; F239-L275 HydrophobicContact CD2-CD1 4.1Å; F239-L275 HydrophobicContact CE1-CD1 3.89Å; F239-L275 HydrophobicContact CE2-CD1 4.04Å; F239-L275 HydrophobicContact CE2-CD2 4.2Å; F239-L275 HydrophobicContact CG-CD1 4.05Å; F239-L275 HydrophobicContact CZ-CD1 3.91Å; F239-L275 HydrophobicContact CZ-CD2 4.36Å; L253-L275 HydrophobicContact CD1-CD1 3.79Å; L258-L275 HydrophobicContact CD2-CD1 3.64Å; L258-L275 HydrophobicContact CG-CD1 4.32Å; Y259-L275 HydrophobicContact CD2-CB 4.22Å; D271-L275 PolarHBondContact OD1-N 3.49Å; D271-L275 PolarHBondContact OD2-N 3.29Å; L273-L275 HydrophobicContact CB-CD1 4.38Å; L273-L275 HydrophobicContact CB-CG 3.98Å; L273-L275 HydrophobicContact CD1-CD1 4.37Å; L275-K277 VanDerWaalsContact C-N 3.34Å; L275-L278 HydrophobicContact CD2-CD1 4.3Å; L275-L278 PolarHBondContact O-N 2.71Å; L275-K279 WeakPolarHBondContact O-CB 3.5Å; L275-K279 PolarHBondContact O-N 2.95Å; L275-L284 HydrophobicContact CD2-CD1 4.43Å
276	K	93.8	Very high	84.5	Confident	53 Å²	53	67.9 Å²	67.9	23%	0.23	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-46.8	173.7	177.9	-179.7	170.4	-173.2	0	109.9	Y259 E261 D271 L278 K279 E280	Y259-K276 HydrophobicContact CD1-CB 4.41Å; Y259-K276 HydrophobicContact CD2-CB 4.12Å; Y259-K276 HydrophobicContact CE1-CB 4.03Å; Y259-K276 HydrophobicContact CE1-CD 4.35Å; Y259-K276 HydrophobicContact CE1-CG 3.98Å; Y259-K276 HydrophobicContact CE2-CB 3.75Å; Y259-K276 HydrophobicContact CE2-CG 4.4Å; Y259-K276 HydrophobicContact CG-CB 4.45Å; E261-K276 IonicContact OE2-NZ 3.55Å; E261-K276 PolarHBondContact OE2-NZ 2.85Å; D271-K276 HydrophobicContact CB-CB 4.22Å; D271-K276 VanDerWaalsContact CG-N 3.35Å; D271-K276 PolarHBondContact OD1-N 2.84Å; D271-K276 WeakPolarHBondContact OD2-CA 3.36Å; D271-K276 VanDerWaalsContact OD2-CB 3.3Å; D271-K276 WeakPolarHBondContact OD2-CB 3.46Å; D271-K276 PolarHBondContact OD2-N 3.45Å; K276-L278 PolarHBondContact O-N 3.17Å; K276-K279 PolarHBondContact O-N 3.29Å; K276-E280 WeakPolarHBondContact CE-OE1 3.12Å; K276-E280 WeakPolarHBondContact CG-OE1 3.47Å; K276-E280 WeakPolarHBondContact O-CG 3.34Å; K276-E280 PolarHBondContact O-N 2.85Å
277	K	92.9	Very high	86.9	Confident	107 Å²	107	62 Å²	62	47%	0.465	29%	0.287	S	S	.	.	H	α-helix	trans	-58.1	-48.5	174.1	-179	179.3	179.3	178	0	112.6	D271 L275 K279 E280 E281	D271-K277 PolarHBondContact OD2-N 3.43Å; L275-K277 VanDerWaalsContact C-N 3.34Å; K277-K279 VanDerWaalsContact C-N 3.27Å; K277-K279 PolarHBondContact O-N 3.08Å; K277-E280 PolarHBondContact O-N 2.97Å; K277-E281 WeakPolarHBondContact CE-OE1 3.43Å; K277-E281 WeakPolarHBondContact CG-OE1 3.46Å; K277-E281 IonicContact NZ-OE1 2.83Å; K277-E281 WeakPolarHBondContact O-CB 3.35Å; K277-E281 WeakPolarHBondContact O-CG 3.14Å; K277-E281 PolarHBondContact O-N 3.1Å
278	L	96.4	Very high	89.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-38.9	178.3	-75.6	169	0	0	0	111.9	L214 G274 L275 K276 K282 R283 L284	L214-L278 HydrophobicContact CG-CD1 4.38Å; G274-L278 WeakPolarHBondContact O-CG 3.29Å; G274-L278 PolarHBondContact O-N 3.38Å; L275-L278 HydrophobicContact CD2-CD1 4.3Å; L275-L278 PolarHBondContact O-N 2.71Å; K276-L278 PolarHBondContact O-N 3.17Å; L278-K282 PolarHBondContact O-N 3.24Å; L278-R283 HydrophobicContact CD2-CB 3.92Å; L278-R283 VanDerWaalsContact CD2-CZ 3.49Å; L278-R283 WeakPolarHBondContact O-CA 3.1Å; L278-R283 PolarHBondContact O-N 3.47Å; L278-L284 HydrophobicContact CB-CB 4.16Å; L278-L284 PolarHBondContact O-N 3.45Å
279	K	96.4	Very high	92	Very high	75 Å²	75	56.6 Å²	56.6	33%	0.326	25%	0.254	S	S	.	.	H	α-helix	trans	-68.4	-47.1	177.1	-167.6	177.8	-179.5	-177.1	0	112.3	E254 Y259 L275 K276 K277 E281 K282 L284 F286	E254-K279 IonicContact OE1-NZ 3.9Å; E254-K279 PolarHBondContact OE1-NZ 3.17Å; Y259-K279 HydrophobicContact CE2-CB 4.41Å; Y259-K279 HydrophobicContact CE2-CD 4.23Å; Y259-K279 WeakPolarHBondContact OH-CD 3.08Å; L275-K279 WeakPolarHBondContact O-CB 3.5Å; L275-K279 PolarHBondContact O-N 2.95Å; K276-K279 PolarHBondContact O-N 3.29Å; K277-K279 VanDerWaalsContact C-N 3.27Å; K277-K279 PolarHBondContact O-N 3.08Å; K279-E281 PolarHBondContact O-N 3.12Å; K279-K282 PolarHBondContact O-N 2.86Å; K279-L284 HydrophobicContact CB-CB 4.14Å; K279-L284 HydrophobicContact CB-CD2 4.03Å; K279-F286 HydrophobicContact CD-CE2 4.34Å
280	E	95.4	Very high	94.1	Very high	131 Å²	131	58.1 Å²	58.1	61%	0.612	27%	0.266	S	S	*	.	H	α-helix	trans	-60	-35.9	178.2	-73.4	172.5	176.8	0	0	112	K276 K277 K282	K276-E280 WeakPolarHBondContact CE-OE1 3.12Å; K276-E280 WeakPolarHBondContact CG-OE1 3.47Å; K276-E280 WeakPolarHBondContact O-CG 3.34Å; K276-E280 PolarHBondContact O-N 2.85Å; K277-E280 PolarHBondContact O-N 2.97Å; E280-K282 PolarHBondContact O-N 3.29Å
281	E	97.2	Very high	95.6	Very high	92 Å²	92	52.3 Å²	52.3	43%	0.43	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	7.4	176	-65.3	177.7	-172.3	0	0	113.8	K277 K279 R283	K277-E281 WeakPolarHBondContact CE-OE1 3.43Å; K277-E281 WeakPolarHBondContact CG-OE1 3.46Å; K277-E281 IonicContact NZ-OE1 2.83Å; K277-E281 WeakPolarHBondContact O-CB 3.35Å; K277-E281 WeakPolarHBondContact O-CG 3.14Å; K277-E281 PolarHBondContact O-N 3.1Å; K279-E281 PolarHBondContact O-N 3.12Å; E281-R283 HydrophobicContact CB-CG 4.25Å; E281-R283 PolarHBondContact O-N 2.72Å; E281-R283 IonicContact OE2-CZ 3.35Å; E281-R283 IonicContact OE2-NE 3.52Å; E281-R283 PolarHBondContact OE2-NE 3.03Å; E281-R283 IonicContact OE2-NH2 2.8Å; E281-R283 PolarHBondContact OE2-NH2 3.11Å
282	K	98.2	Very high	96.3	Very high	174 Å²	174	52.1 Å²	52.1	76%	0.757	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	29.2	-179.6	-52.3	179.8	-178.1	178.6	0	114.3	L278 K279 E280 H285	L278-K282 PolarHBondContact O-N 3.24Å; K279-K282 PolarHBondContact O-N 2.86Å; E280-K282 PolarHBondContact O-N 3.29Å; K282-H285 PolarHBondContact O-CE1 2.58Å; K282-H285 VanDerWaalsContact O-CE1 3.3Å; K282-H285 PolarHBondContact O-NE2 2.99Å
283	R	98.2	Very high	96.6	Very high	44 Å²	44	51.9 Å²	51.9	17%	0.166	25%	0.248	C	C	.	.			trans	-100.3	-8.7	177.5	-61.3	-171.9	-67.9	150	1.3	112.8	G215 L217 E218 N219 F220 L278 E281 H285	G215-R283 PolarHBondContact O-NH1 2.96Å; G215-R283 PolarHBondContact O-NH2 3.31Å; G215-R283 VanDerWaalsContact O-NH2 3.16Å; L217-R283 PolarHBondContact O-NH1 2.83Å; E218-R283 WeakPolarHBondContact O-CB 3.49Å; E218-R283 VanDerWaalsContact O-CD 3.31Å; E218-R283 WeakPolarHBondContact O-CD 3.38Å; E218-R283 VanDerWaalsContact O-CG 3.23Å; E218-R283 WeakPolarHBondContact O-CG 3.33Å; N219-R283 CarbonylContact C-O 3.58Å; N219-R283 WeakPolarHBondContact CA-O 3.26Å; F220-R283 PolarHBondContact N-O 2.81Å; L278-R283 HydrophobicContact CD2-CB 3.92Å; L278-R283 VanDerWaalsContact CD2-CZ 3.49Å; L278-R283 WeakPolarHBondContact O-CA 3.1Å; L278-R283 PolarHBondContact O-N 3.47Å; E281-R283 HydrophobicContact CB-CG 4.25Å; E281-R283 PolarHBondContact O-N 2.72Å; E281-R283 IonicContact OE2-CZ 3.35Å; E281-R283 IonicContact OE2-NE 3.52Å; E281-R283 PolarHBondContact OE2-NE 3.03Å; E281-R283 IonicContact OE2-NH2 2.8Å; E281-R283 PolarHBondContact OE2-NH2 3.11Å; R283-H285 PolarHBondContact O-CD2 3.42Å
284	L	98.3	Very high	96.6	Very high	11 Å²	11	55.4 Å²	55.4	6%	0.058	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116	173.5	-164.9	66.5	0	0	0	109.8	F220 M222 L253 L275 L278 K279 F286	F220-L284 HydrophobicContact CB-CD1 3.86Å; F220-L284 HydrophobicContact CD1-CD1 3.71Å; F220-L284 HydrophobicContact CE1-CD1 4.48Å; F220-L284 HydrophobicContact CG-CD1 3.89Å; F220-L284 WeakPolarHBondContact O-CA 3.32Å; M222-L284 HydrophobicContact CE-CD1 3.48Å; M222-L284 VanDerWaalsContact CE-CD1 3.48Å; M222-L284 HydrophobicContact CE-CD2 4.16Å; M222-L284 HydrophobicContact CE-CG 3.71Å; M222-L284 HydrophobicContact SD-CD1 4.42Å; L253-L284 HydrophobicContact CD2-CD2 3.93Å; L275-L284 HydrophobicContact CD2-CD1 4.43Å; L278-L284 HydrophobicContact CB-CB 4.16Å; L278-L284 PolarHBondContact O-N 3.45Å; K279-L284 HydrophobicContact CB-CB 4.14Å; K279-L284 HydrophobicContact CB-CD2 4.03Å; L284-F286 HydrophobicContact CB-CE2 4.38Å; L284-F286 HydrophobicContact CD2-CE2 3.78Å; L284-F286 HydrophobicContact CD2-CZ 3.53Å; L284-F286 HydrophobicContact CG-CE2 3.78Å; L284-F286 HydrophobicContact CG-CZ 3.86Å
285	H	98.6	Very high	96.6	Very high	49 Å²	49	63.1 Å²	63.1	23%	0.227	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.3	-173.7	-55.7	-90.2	0	0	0	111.2	N219 F220 V221 M222 K282 R283 F309	N219-H285 PolarHBondContact OD1-NE2 3.08Å; F220-H285 PolarHBondContact O-N 3.02Å; V221-H285 HydrophobicContact CB-CB 4.36Å; V221-H285 HydrophobicContact CG1-CB 4.24Å; V221-H285 HydrophobicContact CG2-CB 4.1Å; M222-H285 PolarHBondContact N-O 2.67Å; K282-H285 PolarHBondContact O-CE1 2.58Å; K282-H285 VanDerWaalsContact O-CE1 3.3Å; K282-H285 PolarHBondContact O-NE2 2.99Å; R283-H285 PolarHBondContact O-CD2 3.42Å; H285-F309 HydrophobicContact CB-CZ 4.39Å; H285-F309 AromaticContact CD2-CE1 3.77Å; H285-F309 AromaticContact CE1-CE1 3.93Å; H285-F309 AromaticContact CG-CZ 3.92Å; H285-F309 AromaticContact NE2-CE1 3.69Å
286	F	98.6	Very high	96.6	Very high	61 Å²	61	64.9 Å²	64.9	27%	0.268	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104.3	-178.6	-61.5	-95.1	0	0	0	108.6	M222 W238 L253 K279 L284	M222-F286 HydrophobicContact CE-CD1 3.72Å; M222-F286 HydrophobicContact CE-CE1 3.32Å; M222-F286 HydrophobicContact CE-CE2 4.32Å; M222-F286 HydrophobicContact CE-CG 4.39Å; M222-F286 HydrophobicContact CE-CZ 3.66Å; W238-F286 HydrophobicContact CB-CD1 3.9Å; W238-F286 HydrophobicContact CB-CE1 4.07Å; W238-F286 AromaticContact CD1-CD1 3.79Å; W238-F286 HydrophobicContact CD2-CB 4.24Å; W238-F286 AromaticContact CD2-CD1 3.76Å; W238-F286 HydrophobicContact CD2-CD1 3.76Å; W238-F286 HydrophobicContact CD2-CG 4.5Å; W238-F286 HydrophobicContact CE3-CD1 4.32Å; W238-F286 AromaticContact CG-CD1 3.58Å; W238-F286 HydrophobicContact CG-CD1 3.58Å; W238-F286 HydrophobicContact CG-CE1 4.25Å; W238-F286 HydrophobicContact CH2-CB 4.4Å; W238-F286 HydrophobicContact CZ2-CB 3.85Å; L253-F286 HydrophobicContact CD2-CE1 4.37Å; L253-F286 HydrophobicContact CD2-CZ 3.94Å; K279-F286 HydrophobicContact CD-CE2 4.34Å; L284-F286 HydrophobicContact CB-CE2 4.38Å; L284-F286 HydrophobicContact CD2-CE2 3.78Å; L284-F286 HydrophobicContact CD2-CZ 3.53Å; L284-F286 HydrophobicContact CG-CE2 3.78Å; L284-F286 HydrophobicContact CG-CZ 3.86Å
287	L	98.5	Very high	96.7	Very high	30 Å²	30	65.8 Å²	65.8	16%	0.157	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	144.8	177.5	-57.1	-177.1	0	0	0	110.1	V221 M222 V223 K224 W238 F300 E304 I305	V221-L287 HydrophobicContact CG1-CD1 3.51Å; V221-L287 HydrophobicContact CG1-CG 3.9Å; M222-L287 PolarHBondContact O-N 3.44Å; V223-L287 CarbonylContact C-O 3.53Å; V223-L287 VanDerWaalsContact CA-O 3.29Å; V223-L287 WeakPolarHBondContact CA-O 3.06Å; V223-L287 HydrophobicContact CG2-CB 4.24Å; V223-L287 HydrophobicContact CG2-CD1 4.42Å; K224-L287 PolarHBondContact N-O 3.42Å; W238-L287 VanDerWaalsContact CZ2-O 3.23Å; W238-L287 WeakPolarHBondContact CZ2-O 3.43Å; W238-L287 PolarHBondContact NE1-O 3.23Å; L287-F300 HydrophobicContact CB-CZ 4.17Å; L287-F300 HydrophobicContact CD1-CZ 4.37Å; L287-E304 HydrophobicContact CD1-CB 4.38Å; L287-I305 HydrophobicContact CD1-CG1 4.45Å
288	E	97.9	Very high	97	Very high	96 Å²	96	64.5 Å²	64.5	45%	0.449	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.8	-179.5	-168.9	168.5	74.6	0	0	109.3	K224 T226 W238	K224-E288 WeakPolarHBondContact CE-OE2 3.13Å; K224-E288 IonicContact NZ-OE2 3.38Å; K224-E288 PolarHBondContact NZ-OE2 3.2Å; K224-E288 WeakPolarHBondContact O-CA 3.4Å; T226-E288 HydrophobicContact CG2-CG 3.35Å; W238-E288 HydrophobicContact CH2-CB 4Å; W238-E288 HydrophobicContact CH2-CG 4.47Å; W238-E288 HydrophobicContact CZ2-CB 3.88Å
289	H	98.3	Very high	97	Very high	17 Å²	17	70.4 Å²	70.4	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.9	176.3	-172.3	-77.9	0	0	0	110.2	K224 F225 T226 T297 F300	K224-H289 PolarHBondContact O-N 3.37Å; F225-H289 WeakPolarHBondContact CA-O 3.39Å; F225-H289 HydrophobicContact CD1-CB 4.33Å; F225-H289 HydrophobicContact CE1-CB 4.27Å; T226-H289 PolarHBondContact N-O 3.17Å; T226-H289 VanDerWaalsContact N-O 3.16Å; H289-T297 PolarHBondContact NE2-N 3.1Å; H289-F300 HydrophobicContact CB-CE1 4.35Å; H289-F300 HydrophobicContact CB-CE2 4.42Å; H289-F300 HydrophobicContact CB-CZ 4.22Å; H289-F300 AromaticContact CD2-CD1 3.78Å; H289-F300 AromaticContact CD2-CD2 3.6Å; H289-F300 AromaticContact CD2-CG 3.39Å; H289-F300 WeakPolarHBondContact CD2-CG 3.39Å
290	P	97.3	Very high	97.1	Very high	83 Å²	83	68.1 Å²	68.1	54%	0.539	33%	0.326	S	S	.	.	S	Bend	trans	-66.7	146.2	175.1	27.4	-33.8	0	0	0	112.4	T226	T226-P290 WeakPolarHBondContact OG1-CA 3.28Å
291	G	95.7	Very high	97.3	Very high	14 Å²	14	62 Å²	62	14%	0.144	30%	0.297	C	S	.	.	S	Bend	trans	112.8	174	-179.5	0	0	0	0	0	115.1	F225 E227	F225-G291 WeakPolarHBondContact CB-O 3.12Å; E227-G291 PolarHBondContact N-O 2.7Å; E227-G291 VanDerWaalsContact N-O 3.14Å; E227-G291 PolarHBondContact OE1-N 2.97Å
292	D	96.3	Very high	97.3	Very high	24 Å²	24	58.9 Å²	58.9	13%	0.128	28%	0.283	C	S	.	.	S	Bend	trans	-77.6	173	-178	-163.2	2.5	0	0	0	111.5	R153 T229 I294 R295	R153-D292 IonicContact NH2-OD2 2.71Å; T229-D292 PolarHBondContact N-OD1 3.44Å; T229-D292 PolarHBondContact OG1-OD1 3.01Å; T229-D292 PolarHBondContact OG1-OD2 3.17Å; T229-D292 VanDerWaalsContact OG1-OD2 3.11Å; D292-I294 PolarHBondContact O-N 2.97Å; D292-R295 WeakPolarHBondContact O-CB 3.45Å; D292-R295 PolarHBondContact O-N 3.05Å
293	H	95.8	Very high	97.3	Very high	22 Å²	22	54.3 Å²	54.3	10%	0.102	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	126	-173.8	-165.8	61.6	0	0	0	113.2	S117 G142 D228 M230 V231 R295	S117-H293 WeakPolarHBondContact CB-NE2 3.41Å; S117-H293 PolarHBondContact OG-NE2 3.43Å; G142-H293 PolarHBondContact O-CE1 3.3Å; D228-H293 WeakPolarHBondContact OD1-CB 3.46Å; D228-H293 IonicContact OD1-CG 2.77Å; D228-H293 IonicContact OD1-ND1 2.97Å; D228-H293 PolarHBondContact OD1-ND1 2.82Å; D228-H293 IonicContact OD2-CE1 3.43Å; D228-H293 IonicContact OD2-CG 3.1Å; D228-H293 IonicContact OD2-ND1 2.81Å; D228-H293 PolarHBondContact OD2-ND1 2.83Å; M230-H293 HydrophobicContact CB-CB 3.64Å; M230-H293 HydrophobicContact CG-CB 3.44Å; M230-H293 VanDerWaalsContact CG-CB 3.44Å; V231-H293 WeakPolarHBondContact CG2-CE1 3.4Å; H293-R295 PolarHBondContact O-N 3.46Å
294	I	94.8	Very high	97.3	Very high	74 Å²	74	54.8 Å²	54.8	38%	0.379	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	7.8	179.1	67.5	166.1	0	0	0	115.9	I116 I141 F225 D292 M296	I116-I294 HydrophobicContact CG2-CD1 4.49Å; I116-I294 HydrophobicContact CG2-CG2 3.93Å; I141-I294 HydrophobicContact CG2-CG2 4.39Å; F225-I294 HydrophobicContact CE2-CG2 4.32Å; D292-I294 PolarHBondContact O-N 2.97Å; I294-M296 VanDerWaalsContact C-N 3.34Å; I294-M296 PolarHBondContact O-N 2.93Å; I294-M296 VanDerWaalsContact O-N 3.08Å
295	R	94.3	Very high	97.3	Very high	169 Å²	169	54.3 Å²	54.3	64%	0.638	27%	0.266	S	S	*	.			trans	-85.4	75.8	175.7	-63.4	-170.7	175.7	-177	-4.6	110.5	D292 H293	D292-R295 WeakPolarHBondContact O-CB 3.45Å; D292-R295 PolarHBondContact O-N 3.05Å; H293-R295 PolarHBondContact O-N 3.46Å
296	M	95.4	Very high	97.3	Very high	37 Å²	37	52 Å²	52	18%	0.182	26%	0.255	C	S	.	.			trans	-100.4	156.2	170	71.3	178.6	65.4	0	0	112.2	I141 V223 F225 I294 F300 F301 I305	I141-M296 HydrophobicContact CB-CE 4.15Å; I141-M296 HydrophobicContact CD1-CE 3.85Å; I141-M296 HydrophobicContact CD1-SD 4.41Å; I141-M296 HydrophobicContact CG1-CE 3.91Å; I141-M296 HydrophobicContact CG2-CE 3.19Å; V223-M296 HydrophobicContact CG1-CE 4.37Å; F225-M296 HydrophobicContact CE1-CB 4.01Å; F225-M296 HydrophobicContact CE1-CE 4.36Å; F225-M296 HydrophobicContact CZ-CB 4.37Å; F225-M296 HydrophobicContact CZ-CE 3.68Å; I294-M296 VanDerWaalsContact C-N 3.34Å; I294-M296 PolarHBondContact O-N 2.93Å; I294-M296 VanDerWaalsContact O-N 3.08Å; M296-F300 HydrophobicContact CB-CD1 4.26Å; M296-F300 HydrophobicContact SD-CD1 4.04Å; M296-F300 HydrophobicContact SD-CE1 4.49Å; M296-F301 HydrophobicContact SD-CB 3.87Å; M296-F301 HydrophobicContact SD-CD2 4.04Å; M296-F301 HydrophobicContact SD-CG 4.39Å; M296-I305 HydrophobicContact SD-CD1 4.44Å
297	T	97.2	Very high	97.3	Very high	72 Å²	72	55.1 Å²	55.1	44%	0.442	27%	0.266	S	S	.	.			trans	-74.9	149.3	169.8	65.2	0	0	0	0	110.9	H289 Q299 F300 F301	H289-T297 PolarHBondContact NE2-N 3.1Å; T297-Q299 PolarHBondContact O-N 3.38Å; T297-F300 PolarHBondContact O-N 3.39Å; T297-F300 WeakPolarHBondContact OG1-CB 3.24Å; T297-F300 PolarHBondContact OG1-N 2.92Å; T297-F300 VanDerWaalsContact OG1-N 3.12Å; T297-F301 PolarHBondContact O-N 3.21Å; T297-F301 VanDerWaalsContact O-N 3.14Å
298	M	97.3	Very high	97.2	Very high	80 Å²	80	58.7 Å²	58.7	39%	0.394	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-31.8	173	-171.2	58.8	70.9	0	0	111.6	A55 L56 A59 F301 I302	A55-M298 HydrophobicContact CB-CE 4.38Å; L56-M298 HydrophobicContact CD2-CE 4.3Å; A59-M298 HydrophobicContact CB-CE 4.26Å; A59-M298 HydrophobicContact CB-SD 3.51Å; A59-M298 VanDerWaalsContact CB-SD 3.51Å; M298-F301 PolarHBondContact O-N 3.27Å; M298-F301 HydrophobicContact SD-CB 4.4Å; M298-F301 HydrophobicContact SD-CD1 3.84Å; M298-I302 HydrophobicContact CG-CD1 3.9Å; M298-I302 HydrophobicContact CG-CG1 4.45Å; M298-I302 WeakPolarHBondContact O-CG1 3.12Å; M298-I302 PolarHBondContact O-N 3.41Å; M298-I302 HydrophobicContact SD-CD1 4.41Å; M298-I302 HydrophobicContact SD-CG1 4.47Å
299	Q	97.9	Very high	97.3	Very high	123 Å²	123	55 Å²	55	58%	0.575	26%	0.262	S	S	*	.	H	α-helix	trans	-60.1	-49.6	175	-175.4	176.6	6.3	0	0	111.3	T297 F301 I302 E303	T297-Q299 PolarHBondContact O-N 3.38Å; Q299-F301 PolarHBondContact O-N 2.91Å; Q299-I302 PolarHBondContact O-N 2.94Å; Q299-E303 VanDerWaalsContact CG-CD 3.49Å; Q299-E303 HydrophobicContact CG-CG 4.27Å; Q299-E303 VanDerWaalsContact CG-OE1 3.31Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.46Å; Q299-E303 PolarHBondContact NE2-OE1 2.71Å; Q299-E303 PolarHBondContact NE2-OE2 3.25Å; Q299-E303 WeakPolarHBondContact O-CB 3.44Å; Q299-E303 WeakPolarHBondContact O-CG 3.39Å; Q299-E303 PolarHBondContact O-N 2.91Å
300	F	98.4	Very high	97.2	Very high	28 Å²	28	54.4 Å²	54.4	12%	0.123	26%	0.26	C	S	.	.	H	α-helix	trans	-59	-46	175.7	176.6	-92.4	0	0	0	111.8	V223 L287 H289 M296 T297 I302 E303 E304 I305	V223-F300 HydrophobicContact CG1-CE1 3.98Å; V223-F300 HydrophobicContact CG1-CZ 4.21Å; V223-F300 HydrophobicContact CG2-CE1 4.4Å; L287-F300 HydrophobicContact CB-CZ 4.17Å; L287-F300 HydrophobicContact CD1-CZ 4.37Å; H289-F300 HydrophobicContact CB-CE1 4.35Å; H289-F300 HydrophobicContact CB-CE2 4.42Å; H289-F300 HydrophobicContact CB-CZ 4.22Å; H289-F300 AromaticContact CD2-CD1 3.78Å; H289-F300 AromaticContact CD2-CD2 3.6Å; H289-F300 AromaticContact CD2-CG 3.39Å; H289-F300 WeakPolarHBondContact CD2-CG 3.39Å; M296-F300 HydrophobicContact CB-CD1 4.26Å; M296-F300 HydrophobicContact SD-CD1 4.04Å; M296-F300 HydrophobicContact SD-CE1 4.49Å; T297-F300 PolarHBondContact O-N 3.39Å; T297-F300 WeakPolarHBondContact OG1-CB 3.24Å; T297-F300 PolarHBondContact OG1-N 2.92Å; T297-F300 VanDerWaalsContact OG1-N 3.12Å; F300-I302 VanDerWaalsContact C-N 3.31Å; F300-I302 PolarHBondContact O-N 2.84Å; F300-E303 PolarHBondContact O-N 3.09Å; F300-E304 HydrophobicContact CD2-CB 3.98Å; F300-E304 HydrophobicContact CD2-CG 3.61Å; F300-E304 HydrophobicContact CE1-CB 4.49Å; F300-E304 HydrophobicContact CE2-CB 3.88Å; F300-E304 HydrophobicContact CE2-CG 3.71Å; F300-E304 HydrophobicContact CG-CB 4.36Å; F300-E304 HydrophobicContact CG-CG 4.33Å; F300-E304 HydrophobicContact CZ-CB 4.14Å; F300-E304 HydrophobicContact CZ-CG 4.47Å; F300-E304 VanDerWaalsContact O-CB 3.3Å; F300-E304 WeakPolarHBondContact O-CB 3.5Å; F300-E304 PolarHBondContact O-N 3.33Å; F300-I305 HydrophobicContact CE1-CD1 4.19Å
301	F	98.5	Very high	97.1	Very high	1 Å²	1	53 Å²	53	0%	0.004	26%	0.255	C	S	.	.	I	π-helix	trans	-56.7	-45.2	177.7	180	-108.7	0	0	0	112.1	L56 A59 I60 I114 I141 M296 T297 M298 Q299 I305 V306	L56-F301 HydrophobicContact CB-CE1 4.18Å; L56-F301 HydrophobicContact CB-CZ 4.08Å; L56-F301 HydrophobicContact CD2-CD1 3.84Å; L56-F301 HydrophobicContact CD2-CD2 4.02Å; L56-F301 HydrophobicContact CD2-CE1 3.86Å; L56-F301 HydrophobicContact CD2-CE2 4.07Å; L56-F301 HydrophobicContact CD2-CG 3.92Å; L56-F301 HydrophobicContact CD2-CZ 3.99Å; L56-F301 HydrophobicContact CG-CZ 4.49Å; A59-F301 HydrophobicContact CB-CD1 4.27Å; A59-F301 HydrophobicContact CB-CE1 4.16Å; I60-F301 HydrophobicContact CD1-CE1 4.5Å; I60-F301 HydrophobicContact CD1-CZ 4.04Å; I60-F301 HydrophobicContact CG1-CE1 3.97Å; I60-F301 HydrophobicContact CG1-CZ 3.93Å; I114-F301 HydrophobicContact CD1-CE2 4.31Å; I114-F301 HydrophobicContact CD1-CZ 4.2Å; I141-F301 HydrophobicContact CD1-CD2 4.24Å; I141-F301 HydrophobicContact CD1-CE2 4.12Å; M296-F301 HydrophobicContact SD-CB 3.87Å; M296-F301 HydrophobicContact SD-CD2 4.04Å; M296-F301 HydrophobicContact SD-CG 4.39Å; T297-F301 PolarHBondContact O-N 3.21Å; T297-F301 VanDerWaalsContact O-N 3.14Å; M298-F301 PolarHBondContact O-N 3.27Å; M298-F301 HydrophobicContact SD-CB 4.4Å; M298-F301 HydrophobicContact SD-CD1 3.84Å; Q299-F301 PolarHBondContact O-N 2.91Å; F301-I305 HydrophobicContact CD2-CB 4.4Å; F301-I305 HydrophobicContact CD2-CD1 3.94Å; F301-I305 HydrophobicContact CE2-CG2 4.3Å; F301-I305 VanDerWaalsContact O-CB 3.26Å; F301-I305 WeakPolarHBondContact O-CB 3.4Å; F301-I305 PolarHBondContact O-N 3.3Å; F301-V306 HydrophobicContact CD1-CG2 3.96Å; F301-V306 HydrophobicContact CE1-CG2 3.56Å; F301-V306 HydrophobicContact CE2-CG2 4.41Å; F301-V306 HydrophobicContact CZ-CG2 3.81Å; F301-V306 PolarHBondContact O-N 3.45Å
302	I	98.3	Very high	96.4	Very high	28 Å²	28	57.8 Å²	57.8	14%	0.144	28%	0.281	C	S	.	.	I	π-helix	trans	-69.4	-52	-180	-70	168.6	0	0	0	111.4	A59 E63 M298 Q299 F300 V306 R307	A59-I302 HydrophobicContact CB-CG1 4.49Å; E63-I302 VanDerWaalsContact CD-CG2 3.44Å; E63-I302 HydrophobicContact CG-CD1 4.48Å; E63-I302 HydrophobicContact CG-CG1 4.22Å; E63-I302 HydrophobicContact CG-CG2 3.84Å; M298-I302 HydrophobicContact CG-CD1 3.9Å; M298-I302 HydrophobicContact CG-CG1 4.45Å; M298-I302 WeakPolarHBondContact O-CG1 3.12Å; M298-I302 PolarHBondContact O-N 3.41Å; M298-I302 HydrophobicContact SD-CD1 4.41Å; M298-I302 HydrophobicContact SD-CG1 4.47Å; Q299-I302 PolarHBondContact O-N 2.94Å; F300-I302 VanDerWaalsContact C-N 3.31Å; F300-I302 PolarHBondContact O-N 2.84Å; I302-V306 PolarHBondContact O-N 2.74Å; I302-R307 HydrophobicContact CG2-CG 4.32Å; I302-R307 WeakPolarHBondContact O-CG 3.45Å; I302-R307 PolarHBondContact O-N 3.44Å
303	E	98	Very high	96.4	Very high	78 Å²	78	59.5 Å²	59.5	36%	0.364	29%	0.289	S	S	.	.	I	π-helix	trans	-76	-40.9	-169.8	-68.3	177.3	-176.3	0	0	112.9	Q299 F300 K308	Q299-E303 VanDerWaalsContact CG-CD 3.49Å; Q299-E303 HydrophobicContact CG-CG 4.27Å; Q299-E303 VanDerWaalsContact CG-OE1 3.31Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.46Å; Q299-E303 PolarHBondContact NE2-OE1 2.71Å; Q299-E303 PolarHBondContact NE2-OE2 3.25Å; Q299-E303 WeakPolarHBondContact O-CB 3.44Å; Q299-E303 WeakPolarHBondContact O-CG 3.39Å; Q299-E303 PolarHBondContact O-N 2.91Å; F300-E303 PolarHBondContact O-N 3.09Å; E303-K308 WeakPolarHBondContact O-CE 3.47Å; E303-K308 WeakPolarHBondContact O-CG 3.41Å
304	E	98.1	Very high	96.4	Very high	54 Å²	54	61.4 Å²	61.4	25%	0.252	30%	0.299	S	S	.	.	I	π-helix	trans	-94.7	-21.5	-173.7	-64	-62.3	125.7	0	0	113.2	L287 F300 K308 F309	L287-E304 HydrophobicContact CD1-CB 4.38Å; F300-E304 HydrophobicContact CD2-CB 3.98Å; F300-E304 HydrophobicContact CD2-CG 3.61Å; F300-E304 HydrophobicContact CE1-CB 4.49Å; F300-E304 HydrophobicContact CE2-CB 3.88Å; F300-E304 HydrophobicContact CE2-CG 3.71Å; F300-E304 HydrophobicContact CG-CB 4.36Å; F300-E304 HydrophobicContact CG-CG 4.33Å; F300-E304 HydrophobicContact CZ-CB 4.14Å; F300-E304 HydrophobicContact CZ-CG 4.47Å; F300-E304 VanDerWaalsContact O-CB 3.3Å; F300-E304 WeakPolarHBondContact O-CB 3.5Å; F300-E304 PolarHBondContact O-N 3.33Å; E304-K308 WeakPolarHBondContact OE1-CE 3.5Å; E304-K308 IonicContact OE1-NZ 3.71Å; E304-K308 PolarHBondContact OE1-NZ 3.23Å; E304-K308 IonicContact OE2-NZ 3.27Å; E304-K308 PolarHBondContact OE2-NZ 2.85Å; E304-F309 WeakPolarHBondContact O-CD2 3.36Å; E304-F309 VanDerWaalsContact O-CE2 3.29Å; E304-F309 WeakPolarHBondContact O-CE2 3.32Å
305	I	98.5	Very high	96.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.294	C	S	.	.	I	π-helix	trans	-113.2	-65.4	-177.9	-60.9	168.4	0	0	0	111.2	I139 I141 V223 L287 M296 F300 F301 K308 F309	I139-I305 HydrophobicContact CB-CG2 4.39Å; I139-I305 HydrophobicContact CG1-CG2 4.06Å; I139-I305 HydrophobicContact CG2-CD1 4.17Å; I139-I305 HydrophobicContact CG2-CG1 4.3Å; I139-I305 HydrophobicContact CG2-CG2 3.67Å; I141-I305 HydrophobicContact CD1-CD1 4.05Å; I141-I305 HydrophobicContact CG1-CD1 4.27Å; V223-I305 HydrophobicContact CG2-CD1 4Å; L287-I305 HydrophobicContact CD1-CG1 4.45Å; M296-I305 HydrophobicContact SD-CD1 4.44Å; F300-I305 HydrophobicContact CE1-CD1 4.19Å; F301-I305 HydrophobicContact CD2-CB 4.4Å; F301-I305 HydrophobicContact CD2-CD1 3.94Å; F301-I305 HydrophobicContact CE2-CG2 4.3Å; F301-I305 VanDerWaalsContact O-CB 3.26Å; F301-I305 WeakPolarHBondContact O-CB 3.4Å; F301-I305 PolarHBondContact O-N 3.3Å; I305-K308 PolarHBondContact O-N 3.19Å; I305-F309 PolarHBondContact O-N 3Å
306	V	98.5	Very high	96.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	I	π-helix	trans	-63.9	-54.1	-169.1	179.3	0	0	0	0	111.2	I60 E63 I64 F301 I302 K308 I310 A311	I60-V306 HydrophobicContact CG1-CG2 3.99Å; E63-V306 HydrophobicContact CB-CG1 3.89Å; E63-V306 HydrophobicContact CG-CG1 4.39Å; I64-V306 HydrophobicContact CD1-CG1 3.97Å; I64-V306 HydrophobicContact CG1-CG1 4.25Å; F301-V306 HydrophobicContact CD1-CG2 3.96Å; F301-V306 HydrophobicContact CE1-CG2 3.56Å; F301-V306 HydrophobicContact CE2-CG2 4.41Å; F301-V306 HydrophobicContact CZ-CG2 3.81Å; F301-V306 PolarHBondContact O-N 3.45Å; I302-V306 PolarHBondContact O-N 2.74Å; V306-K308 VanDerWaalsContact C-N 3.33Å; V306-K308 PolarHBondContact O-N 2.8Å; V306-I310 HydrophobicContact CG1-CB 4.41Å; V306-I310 WeakPolarHBondContact O-CA 3.44Å; V306-I310 WeakPolarHBondContact O-CB 3.47Å; V306-I310 PolarHBondContact O-N 3.02Å; V306-A311 PolarHBondContact O-N 2.75Å
307	R	97.9	Very high	96.7	Very high	128 Å²	128	55.4 Å²	55.4	48%	0.483	28%	0.28	S	S	.	.	I	π-helix	trans	-66.2	-32.7	-177.3	-70.7	179.9	-179.9	162.1	5.5	113.5	E63 I302	E63-R307 IonicContact OE1-NH2 2.58Å; E63-R307 PolarHBondContact OE1-NH2 3.45Å; E63-R307 VanDerWaalsContact OE1-NH2 3.1Å; E63-R307 IonicContact OE2-CZ 3.73Å; E63-R307 VanDerWaalsContact OE2-CZ 3.29Å; E63-R307 IonicContact OE2-NE 2.71Å; E63-R307 PolarHBondContact OE2-NE 3.07Å; E63-R307 IonicContact OE2-NH2 3.49Å; E63-R307 PolarHBondContact OE2-NH2 3.04Å; I302-R307 HydrophobicContact CG2-CG 4.32Å; I302-R307 WeakPolarHBondContact O-CG 3.45Å; I302-R307 PolarHBondContact O-N 3.44Å
308	K	97.9	Very high	96.7	Very high	104 Å²	104	54.3 Å²	54.3	45%	0.452	27%	0.269	S	S	.	.	I	π-helix	trans	-85	-33.2	-175.9	-68.3	-175.5	-170.2	179.6	0	113.8	E303 E304 I305 V306 V312	E303-K308 WeakPolarHBondContact O-CE 3.47Å; E303-K308 WeakPolarHBondContact O-CG 3.41Å; E304-K308 WeakPolarHBondContact OE1-CE 3.5Å; E304-K308 IonicContact OE1-NZ 3.71Å; E304-K308 PolarHBondContact OE1-NZ 3.23Å; E304-K308 IonicContact OE2-NZ 3.27Å; E304-K308 PolarHBondContact OE2-NZ 2.85Å; I305-K308 PolarHBondContact O-N 3.19Å; V306-K308 VanDerWaalsContact C-N 3.33Å; V306-K308 PolarHBondContact O-N 2.8Å; K308-V312 WeakPolarHBondContact O-CG1 3.39Å
309	F	98.2	Very high	96.6	Very high	18 Å²	18	52.5 Å²	52.5	8%	0.079	26%	0.26	C	S	.	.	I	π-helix	trans	-128.6	-11.6	-168.2	-57.5	-74.8	0	0	0	115	N137 I139 N219 V221 H285 E304 I305	N137-F309 PolarHBondContact ND2-O 2.71Å; I139-F309 HydrophobicContact CD1-CB 3.87Å; I139-F309 HydrophobicContact CD1-CG 4.29Å; N219-F309 HydrophobicContact CB-CD1 3.97Å; N219-F309 HydrophobicContact CB-CE1 4.25Å; V221-F309 HydrophobicContact CG1-CE2 4.18Å; V221-F309 HydrophobicContact CG2-CD1 3.76Å; V221-F309 HydrophobicContact CG2-CD2 3.8Å; V221-F309 HydrophobicContact CG2-CE1 3.71Å; V221-F309 HydrophobicContact CG2-CE2 3.75Å; V221-F309 HydrophobicContact CG2-CG 3.79Å; V221-F309 HydrophobicContact CG2-CZ 3.7Å; H285-F309 HydrophobicContact CB-CZ 4.39Å; H285-F309 AromaticContact CD2-CE1 3.77Å; H285-F309 AromaticContact CE1-CE1 3.93Å; H285-F309 AromaticContact CG-CZ 3.92Å; H285-F309 AromaticContact NE2-CE1 3.69Å; E304-F309 WeakPolarHBondContact O-CD2 3.36Å; E304-F309 VanDerWaalsContact O-CE2 3.29Å; E304-F309 WeakPolarHBondContact O-CE2 3.32Å; I305-F309 PolarHBondContact O-N 3Å
310	I	97.9	Very high	96.5	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	24%	0.236	C	C	.	.	I	π-helix	trans	-114.8	-40.8	-177.8	-50.8	-63.6	0	0	0	111.5	V37 I64 H112 I114 I139 V306 V312	V37-I310 HydrophobicContact CG2-CG2 3.49Å; V37-I310 VanDerWaalsContact CG2-CG2 3.49Å; I64-I310 HydrophobicContact CD1-CB 4.07Å; I64-I310 HydrophobicContact CD1-CG2 3.55Å; H112-I310 HydrophobicContact CB-CD1 3.57Å; I114-I310 HydrophobicContact CD1-CD1 4.33Å; I114-I310 HydrophobicContact CD1-CG1 4.47Å; I114-I310 HydrophobicContact CG1-CD1 4.39Å; I139-I310 HydrophobicContact CG1-CD1 4.08Å; V306-I310 HydrophobicContact CG1-CB 4.41Å; V306-I310 WeakPolarHBondContact O-CA 3.44Å; V306-I310 WeakPolarHBondContact O-CB 3.47Å; V306-I310 PolarHBondContact O-N 3.02Å; I310-V312 PolarHBondContact O-N 3.04Å
311	A	93.6	Very high	96.4	Very high	53 Å²	53	48.7 Å²	48.7	44%	0.438	25%	0.245	S	C	.	.			trans	-79.2	26.2	179.8	0	0	0	0	0	114	I64 V306	I64-A311 HydrophobicContact CD1-CB 3.8Å; I64-A311 HydrophobicContact CG1-CB 3.81Å; V306-A311 PolarHBondContact O-N 2.75Å
312	V	81.3	Confident	96.2	Very high	115 Å²	115	53 Å²	53	70%	0.697	27%	0.267	S	S	*	.			trans	-101.9	0	-171.2	-63.2	0	0	0	0	114.3	K308 I310	K308-V312 WeakPolarHBondContact O-CG1 3.39Å; I310-V312 PolarHBondContact O-N 3.04Å

Retrieved 312 of 312 residues in 167.3 ms (Link to these results)

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