C4QJA6_SCHMA Loading...

Phosphatidylcholine-sterol acyltransferase (Lecithin-cholesterol acyltransferase)/ Phospholipase A AlphaSync

AlphaFold DB , UniProt , Accession C4QJA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 406 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	38.9	Very low	37.2	Very low	233 Å²	233	177.3 Å²	177.3	100%	1.148	86%	0.856	S	S	*	*				0	87.9	0	-79.9	-174.6	-95.1	0	0	108.9
2	Y	37	Very low	37	Very low	235 Å²	235	173.3 Å²	173.3	92%	0.922	84%	0.842	S	S	*	*			trans	-140.7	123.3	171.8	-88.6	-82.9	0	0	0	108.2
3	K	37	Very low	37	Very low	210 Å²	210	171.3 Å²	171.3	91%	0.913	84%	0.835	S	S	*	*			trans	-71.8	129.2	-177.5	-79.1	177.5	172.3	178.9	0	110.2
4	L	37.8	Very low	37	Very low	160 Å²	160	171.2 Å²	171.2	84%	0.838	83%	0.829	S	S	*	*			trans	-81.2	118.1	167.8	-130.8	83.2	0	0	0	108.6
5	N	38.3	Very low	37	Very low	162 Å²	162	168.1 Å²	168.1	87%	0.866	83%	0.825	S	S	*	*			trans	-93.2	115.1	165.2	-99	-21.3	0	0	0	107.9
6	L	38.5	Very low	37.1	Very low	151 Å²	151	169.4 Å²	169.4	79%	0.791	83%	0.825	S	S	*	*			trans	-91.3	107.9	171.7	-142.7	84.3	0	0	0	107.9
7	Q	38.7	Very low	37	Very low	177 Å²	177	165.5 Å²	165.5	83%	0.827	82%	0.819	S	S	*	*			trans	-76.7	121.4	168.7	-83.7	-173.7	-30.9	0	0	109.6	N9	Q7-N9 PolarHBondContact O-N 3.37Å
8	L	35.7	Very low	37	Very low	156 Å²	156	164.6 Å²	164.6	82%	0.817	82%	0.816	S	S	*	*			trans	-68.2	112.2	166.9	-113.3	81.6	0	0	0	109
9	N	36.3	Very low	37.1	Very low	135 Å²	135	163.6 Å²	163.6	72%	0.722	81%	0.813	S	S	*	*			trans	-90.4	109.7	162.9	-87.7	-35.1	0	0	0	108.9	Q7 F11	Q7-N9 PolarHBondContact O-N 3.37Å; N9-F11 PolarHBondContact O-N 3.23Å
10	L	35.2	Very low	37	Very low	149 Å²	149	162.3 Å²	162.3	78%	0.78	81%	0.809	S	S	*	*			trans	-78.8	99	173.4	-154.1	86.7	0	0	0	108.4	L12	L10-L12 PolarHBondContact O-N 3.31Å
11	F	36.3	Very low	36.9	Very low	182 Å²	182	160.2 Å²	160.2	80%	0.798	81%	0.809	S	S	*	*			trans	-78.1	105.5	170.2	-94.5	-90.2	0	0	0	109.4	N9 I13	N9-F11 PolarHBondContact O-N 3.23Å; F11-I13 PolarHBondContact O-N 3.27Å
12	L	34.5	Very low	36.7	Very low	130 Å²	130	156.3 Å²	156.3	68%	0.681	79%	0.793	S	S	*	*			trans	-66.3	106.8	164.8	-96.4	132.2	0	0	0	109.1	L10 F14	L10-L12 PolarHBondContact O-N 3.31Å; L12-F14 HydrophobicContact CB-CD2 4.42Å; L12-F14 HydrophobicContact CB-CE2 4.42Å; L12-F14 HydrophobicContact CD2-CE2 4.2Å; L12-F14 PolarHBondContact O-N 3.32Å
13	I	37.2	Very low	36.8	Very low	147 Å²	147	151.5 Å²	151.5	75%	0.754	79%	0.787	S	S	*	*			trans	-77.9	99.1	167.9	-61.3	174.3	0	0	0	107	F11 T15	F11-I13 PolarHBondContact O-N 3.27Å; I13-T15 HydrophobicContact CG2-CG2 4.23Å; I13-T15 PolarHBondContact O-N 3.22Å
14	F	36.1	Very low	36.9	Very low	170 Å²	170	150 Å²	150	75%	0.746	78%	0.783	S	S	*	*			trans	-75.2	102.3	163.6	-88.9	-89.1	0	0	0	108.4	L12 F16	L12-F14 HydrophobicContact CB-CD2 4.42Å; L12-F14 HydrophobicContact CB-CE2 4.42Å; L12-F14 HydrophobicContact CD2-CE2 4.2Å; L12-F14 PolarHBondContact O-N 3.32Å; F14-F16 PolarHBondContact O-N 3.06Å; F14-F16 VanDerWaalsContact O-N 3.12Å
15	T	37.7	Very low	36.9	Very low	125 Å²	125	147 Å²	147	77%	0.767	78%	0.775	S	S	*	*			trans	-71.2	98.7	165.4	41.3	0	0	0	0	108.7	I13 S17	I13-T15 HydrophobicContact CG2-CG2 4.23Å; I13-T15 PolarHBondContact O-N 3.22Å; T15-S17 PolarHBondContact O-N 3.12Å
16	F	38.7	Very low	37.1	Very low	188 Å²	188	146.6 Å²	146.6	83%	0.825	77%	0.773	S	S	*	*			trans	-64.1	105.2	162.1	-96	-94.7	0	0	0	108	F14 L18	F14-F16 PolarHBondContact O-N 3.06Å; F14-F16 VanDerWaalsContact O-N 3.12Å; F16-L18 VanDerWaalsContact C-N 3.29Å; F16-L18 PolarHBondContact O-N 3.01Å
17	S	35.9	Very low	37.5	Very low	104 Å²	104	144 Å²	144	73%	0.727	77%	0.768	S	S	*	*			trans	-64.6	96.3	162.1	-178.8	0	0	0	0	107.1	T15 I19	T15-S17 PolarHBondContact O-N 3.12Å; S17-I19 VanDerWaalsContact C-N 3.3Å; S17-I19 PolarHBondContact O-N 2.96Å
18	L	36.8	Very low	38.7	Very low	148 Å²	148	141.6 Å²	141.6	78%	0.775	77%	0.765	S	S	*	*			trans	-63.4	100.2	159.8	-77.5	162.8	0	0	0	106.1	F16 N20	F16-L18 VanDerWaalsContact C-N 3.29Å; F16-L18 PolarHBondContact O-N 3.01Å; L18-N20 PolarHBondContact O-N 2.86Å
19	I	39.1	Very low	40.8	Very low	146 Å²	146	138.1 Å²	138.1	75%	0.749	74%	0.744	S	S	*	*			trans	-59.8	95.8	159.3	-61.9	170.9	0	0	0	104.7	S17 C21	S17-I19 VanDerWaalsContact C-N 3.3Å; S17-I19 PolarHBondContact O-N 2.96Å; I19-C21 VanDerWaalsContact C-N 3.26Å; I19-C21 PolarHBondContact O-N 2.97Å
20	N	33.6	Very low	43.1	Very low	138 Å²	138	138.4 Å²	138.4	74%	0.738	75%	0.745	S	S	*	*			trans	-57.8	99.7	160.3	-81.4	-32.4	0	0	0	105.5	L18 D22	L18-N20 PolarHBondContact O-N 2.86Å; N20-D22 VanDerWaalsContact C-N 3.3Å; N20-D22 PolarHBondContact O-N 3.1Å
21	C	34.9	Very low	45.9	Very low	119 Å²	119	132 Å²	132	80%	0.804	72%	0.715	S	S	*	*			trans	-57.4	107.7	155.9	-90.8	0	0	0	0	105.6	I19 V23	I19-C21 VanDerWaalsContact C-N 3.26Å; I19-C21 PolarHBondContact O-N 2.97Å; C21-V23 PolarHBondContact O-N 2.92Å; C21-V23 VanDerWaalsContact O-N 3.1Å
22	D	35.5	Very low	48.8	Very low	151 Å²	151	124.3 Å²	124.3	81%	0.807	68%	0.684	S	S	*	*			trans	-42.8	119.6	173.8	-81.6	-48.9	0	0	0	109.3	N20 H24	N20-D22 VanDerWaalsContact C-N 3.3Å; N20-D22 PolarHBondContact O-N 3.1Å; D22-H24 PolarHBondContact O-N 2.72Å; D22-H24 VanDerWaalsContact O-N 3.08Å
23	V	38.4	Very low	51.8	Low	133 Å²	133	119.4 Å²	119.4	81%	0.806	66%	0.656	S	S	*	*			trans	-38.3	117.9	157.7	173.1	0	0	0	0	106.6	C21 S25	C21-V23 PolarHBondContact O-N 2.92Å; C21-V23 VanDerWaalsContact O-N 3.1Å; V23-S25 VanDerWaalsContact C-N 3.28Å; V23-S25 PolarHBondContact O-N 3.08Å
24	H	39.4	Very low	54.8	Low	178 Å²	178	112.4 Å²	112.4	82%	0.824	62%	0.62	S	S	*	*			trans	-45.2	102.5	165.9	-89.8	-70.7	0	0	0	107.2	D22 N26	D22-H24 PolarHBondContact O-N 2.72Å; D22-H24 VanDerWaalsContact O-N 3.08Å; H24-N26 VanDerWaalsContact C-N 3.35Å; H24-N26 PolarHBondContact O-N 2.92Å
25	S	37.5	Very low	57.7	Low	97 Å²	97	104.3 Å²	104.3	68%	0.678	59%	0.585	S	S	*	*			trans	-59.7	111.6	165.1	61.4	0	0	0	0	103.7	V23 S27	V23-S25 VanDerWaalsContact C-N 3.28Å; V23-S25 PolarHBondContact O-N 3.08Å; S25-S27 PolarHBondContact O-N 3.48Å
26	N	42.5	Very low	60.7	Low	154 Å²	154	98.3 Å²	98.3	82%	0.824	55%	0.548	S	S	*	.			trans	-64.9	70.1	159.8	-88.5	-20.1	0	0	0	105.9	H24 T28	H24-N26 VanDerWaalsContact C-N 3.35Å; H24-N26 PolarHBondContact O-N 2.92Å; N26-T28 PolarHBondContact O-N 2.86Å
27	S	47.5	Very low	63.5	Low	96 Å²	96	89.4 Å²	89.4	67%	0.671	51%	0.509	S	S	*	.			trans	-61.5	102.3	159	74.1	0	0	0	0	103.7	S25 F29	S25-S27 PolarHBondContact O-N 3.48Å; S27-F29 VanDerWaalsContact C-N 3.3Å; S27-F29 PolarHBondContact O-N 2.72Å
28	T	63.8	Low	66.5	Low	127 Å²	127	84.6 Å²	84.6	78%	0.779	48%	0.475	S	S	*	.			trans	-59.8	100	175.5	30.8	0	0	0	0	106.6	N26 N30	N26-T28 PolarHBondContact O-N 2.86Å; T28-N30 PolarHBondContact O-N 3.48Å
29	F	80.3	Confident	69.5	Low	84 Å²	84	77.6 Å²	77.6	37%	0.368	44%	0.439	S	S	.	.			trans	-54.6	114.2	177.7	170.7	-98	0	0	0	108.2	S27 G31 Y33 R176	S27-F29 VanDerWaalsContact C-N 3.3Å; S27-F29 PolarHBondContact O-N 2.72Å; F29-G31 WeakPolarHBondContact CE1-O 3.38Å; F29-Y33 AromaticContact CD1-CE1 3.73Å; F29-Y33 HydrophobicContact CD1-CE1 3.73Å; F29-Y33 HydrophobicContact CD1-CE2 4.38Å; F29-Y33 AromaticContact CD1-CZ 3.65Å; F29-Y33 HydrophobicContact CE1-CD1 4.38Å; F29-Y33 HydrophobicContact CE1-CE1 4.03Å; F29-R176 HydrophobicContact CE1-CG 4.2Å; F29-R176 HydrophobicContact CE2-CG 4.46Å; F29-R176 HydrophobicContact CZ-CG 3.96Å
30	N	84.7	Confident	72.3	Confident	141 Å²	141	70.7 Å²	70.7	75%	0.754	40%	0.403	S	S	*	.			trans	-102.2	19.8	-171.3	-160.3	26.2	0	0	0	112.7	T28 N400	T28-N30 PolarHBondContact O-N 3.48Å; N30-N400 PolarHBondContact O-ND2 3.29Å
31	G	93.2	Very high	75.3	Confident	13 Å²	13	66.1 Å²	66.1	13%	0.134	38%	0.38	C	S	.	.	S	Bend	trans	-100.5	175.4	176	0	0	0	0	0	113.1	F29 N400	F29-G31 WeakPolarHBondContact CE1-O 3.38Å; G31-N400 VanDerWaalsContact C-ND2 3.32Å; G31-N400 PolarHBondContact O-ND2 3.09Å
32	P	97.1	Very high	78.1	Confident	22 Å²	22	61.1 Å²	61.1	14%	0.143	35%	0.348	C	S	.	.			trans	-73.4	151.2	177.7	28.4	-35.4	0	0	0	112.4	F134 Y135 R176 L399 N400	P32-F134 HydrophobicContact CB-CB 4.27Å; P32-F134 HydrophobicContact CB-CD1 3.5Å; P32-F134 HydrophobicContact CB-CE1 3.91Å; P32-F134 HydrophobicContact CB-CG 3.87Å; P32-F134 HydrophobicContact CG-CB 3.53Å; P32-F134 HydrophobicContact CG-CD1 3.47Å; P32-F134 VanDerWaalsContact CG-CD1 3.47Å; P32-F134 HydrophobicContact CG-CD2 3.72Å; P32-F134 HydrophobicContact CG-CE1 4.05Å; P32-F134 HydrophobicContact CG-CE2 4.28Å; P32-F134 HydrophobicContact CG-CG 3.26Å; P32-F134 HydrophobicContact CG-CZ 4.41Å; P32-Y135 HydrophobicContact CB-CE2 4.21Å; P32-Y135 WeakPolarHBondContact CB-OH 3.38Å; P32-R176 VanDerWaalsContact O-CD 3.23Å; P32-R176 WeakPolarHBondContact O-CD 3.4Å; P32-R176 PolarHBondContact O-NH1 3.26Å; P32-L399 CarbonylContact C-O 3.56Å; P32-L399 VanDerWaalsContact CA-O 3.26Å; P32-L399 WeakPolarHBondContact CA-O 3.15Å; P32-N400 WeakPolarHBondContact CA-O 3.26Å
33	Y	98.3	Very high	81	Confident	26 Å²	26	54 Å²	54	10%	0.102	31%	0.31	C	S	.	.			trans	-104	142.7	176.4	-63.4	-82	0	0	0	111.2	F29 Y135 P177 K207 L399 N400	F29-Y33 AromaticContact CD1-CE1 3.73Å; F29-Y33 HydrophobicContact CD1-CE1 3.73Å; F29-Y33 HydrophobicContact CD1-CE2 4.38Å; F29-Y33 AromaticContact CD1-CZ 3.65Å; F29-Y33 HydrophobicContact CE1-CD1 4.38Å; F29-Y33 HydrophobicContact CE1-CE1 4.03Å; Y33-Y135 WeakPolarHBondContact O-CE1 3.39Å; Y33-Y135 PolarHBondContact O-OH 2.89Å; Y33-P177 HydrophobicContact CD1-CG 4.25Å; Y33-P177 WeakPolarHBondContact CD1-O 3.18Å; Y33-P177 HydrophobicContact CE1-CG 4.13Å; Y33-K207 HydrophobicContact CD1-CB 4.17Å; Y33-K207 HydrophobicContact CD1-CD 4.05Å; Y33-K207 HydrophobicContact CD1-CG 3.72Å; Y33-K207 HydrophobicContact CD2-CG 4.17Å; Y33-K207 HydrophobicContact CE1-CD 3.64Å; Y33-K207 HydrophobicContact CE1-CG 3.87Å; Y33-K207 HydrophobicContact CE2-CD 4.27Å; Y33-K207 HydrophobicContact CE2-CG 4.32Å; Y33-K207 HydrophobicContact CG-CG 3.87Å; Y33-L399 PolarHBondContact N-O 3.12Å; Y33-L399 WeakPolarHBondContact O-CD2 3.23Å; Y33-N400 HydrophobicContact CD2-CB 4.39Å; Y33-N400 HydrophobicContact CE2-CB 4.44Å
34	P	98.7	Very high	83.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.272	C	S	.	.			trans	-72.3	161	177.9	34.3	-39	0	0	0	112.2	F134 T140 T169 A173 R176 P177 V178 V179	P34-F134 HydrophobicContact CB-CE1 4.43Å; P34-F134 HydrophobicContact CB-CZ 4.31Å; P34-T140 CarbonylContact C-O 3.59Å; P34-T140 VanDerWaalsContact CA-O 3.3Å; P34-T140 WeakPolarHBondContact CA-O 3.33Å; P34-T140 WeakPolarHBondContact CB-O 3.32Å; P34-T169 HydrophobicContact CB-CG2 3.64Å; P34-T169 HydrophobicContact CG-CG2 4.14Å; P34-A173 HydrophobicContact CB-CB 3.62Å; P34-A173 HydrophobicContact CG-CB 3.39Å; P34-R176 HydrophobicContact CG-CB 4.5Å; P34-R176 WeakPolarHBondContact CG-O 3.18Å; P34-P177 WeakPolarHBondContact CD-O 3.46Å; P34-V178 HydrophobicContact CG-CB 4.48Å; P34-V178 HydrophobicContact CG-CG2 3.97Å; P34-V179 PolarHBondContact O-N 3.16Å
35	L	98.9	Very high	86.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.1	-169.7	176	65.1	0	0	0	111.6	M37 L125 L129 T140 M141 R142 V179 L181 L399	L35-M37 HydrophobicContact CD1-CG 4.34Å; L35-M37 HydrophobicContact CD2-CE 4.35Å; L35-M37 HydrophobicContact CD2-CG 3.91Å; L35-M37 HydrophobicContact CD2-SD 4.02Å; L35-M37 HydrophobicContact CG-CG 3.99Å; L35-L125 HydrophobicContact CD2-CD2 4.38Å; L35-L129 HydrophobicContact CD2-CD1 3.53Å; L35-T140 PolarHBondContact N-O 2.91Å; L35-M141 HydrophobicContact CB-CG 4.48Å; L35-M141 HydrophobicContact CD2-CG 4.23Å; L35-M141 HydrophobicContact CD2-SD 4.33Å; L35-M141 WeakPolarHBondContact O-CA 3.28Å; L35-R142 PolarHBondContact O-N 3.12Å; L35-V179 HydrophobicContact CD1-CB 4.48Å; L35-V179 HydrophobicContact CD1-CG1 4.28Å; L35-L181 HydrophobicContact CD1-CB 3.58Å; L35-L181 HydrophobicContact CD1-CD2 4.2Å; L35-L399 HydrophobicContact CB-CD2 4.07Å; L35-L399 HydrophobicContact CD1-CD2 4.28Å; L35-L399 HydrophobicContact CD2-CD1 4.25Å
36	V	98.9	Very high	89.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.5	165.3	174.4	0	0	0	0	109.2	R142 A144 L162 L165 I166 T169 V178 V179 L180 L181	V36-R142 WeakPolarHBondContact CA-O 3.36Å; V36-R142 HydrophobicContact CG2-CB 4.24Å; V36-A144 HydrophobicContact CG1-CB 4.42Å; V36-L162 HydrophobicContact CG1-CD1 4.31Å; V36-L165 HydrophobicContact CG1-CD2 4.14Å; V36-I166 HydrophobicContact CG2-CG1 4.34Å; V36-T169 HydrophobicContact CG2-CG2 4.13Å; V36-V178 HydrophobicContact CB-CG1 3.99Å; V36-V178 HydrophobicContact CG2-CG1 3.58Å; V36-V179 PolarHBondContact N-O 2.97Å; V36-L180 HydrophobicContact CB-CD2 3.84Å; V36-L180 HydrophobicContact CG1-CD2 4.2Å; V36-L181 PolarHBondContact O-N 2.77Å
37	M	98.9	Very high	91.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.2	179.6	-67.3	164.8	-73	0	0	110.7	L35 T105 I108 F122 V126 M141 R142 A144 L181	L35-M37 HydrophobicContact CD1-CG 4.34Å; L35-M37 HydrophobicContact CD2-CE 4.35Å; L35-M37 HydrophobicContact CD2-CG 3.91Å; L35-M37 HydrophobicContact CD2-SD 4.02Å; L35-M37 HydrophobicContact CG-CG 3.99Å; M37-T105 HydrophobicContact CE-CG2 3.77Å; M37-I108 HydrophobicContact CB-CD1 3.66Å; M37-I108 HydrophobicContact CE-CD1 4.1Å; M37-I108 HydrophobicContact SD-CD1 4.27Å; M37-F122 HydrophobicContact CB-CD1 4.37Å; M37-F122 HydrophobicContact CB-CD2 4.39Å; M37-F122 HydrophobicContact CB-CE1 4.08Å; M37-F122 HydrophobicContact CB-CE2 4.09Å; M37-F122 HydrophobicContact CB-CZ 3.93Å; M37-F122 HydrophobicContact CG-CD1 3.96Å; M37-F122 HydrophobicContact CG-CE1 3.83Å; M37-F122 HydrophobicContact CG-CG 4.45Å; M37-F122 HydrophobicContact CG-CZ 4.21Å; M37-F122 HydrophobicContact SD-CB 4.02Å; M37-F122 HydrophobicContact SD-CD1 3.52Å; M37-F122 VanDerWaalsContact SD-CD1 3.52Å; M37-F122 HydrophobicContact SD-CD2 4.5Å; M37-F122 HydrophobicContact SD-CE1 4.05Å; M37-F122 HydrophobicContact SD-CG 3.78Å; M37-V126 HydrophobicContact CE-CG2 3.86Å; M37-V126 HydrophobicContact SD-CG2 3.94Å; M37-M141 HydrophobicContact CE-CG 3.58Å; M37-M141 HydrophobicContact CE-SD 4.15Å; M37-R142 PolarHBondContact N-O 3.13Å; M37-A144 PolarHBondContact O-N 2.96Å; M37-L181 WeakPolarHBondContact CA-O 3.44Å; M37-L181 HydrophobicContact CG-CB 4.45Å; M37-L181 HydrophobicContact CG-CD2 4.38Å
38	I	98.9	Very high	94.2	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	109.8	178.9	-54.2	169.4	0	0	0	108	A144 Y146 L162 L181 P182 H183 A190	I38-A144 HydrophobicContact CG1-CB 4.29Å; I38-Y146 HydrophobicContact CG2-CE1 4Å; I38-L162 HydrophobicContact CD1-CD2 4.18Å; I38-L181 PolarHBondContact N-O 3.36Å; I38-L181 VanDerWaalsContact N-O 3.09Å; I38-P182 HydrophobicContact CB-CB 4.09Å; I38-P182 WeakPolarHBondContact O-CA 3.29Å; I38-H183 PolarHBondContact O-N 2.85Å; I38-A190 HydrophobicContact CD1-CB 3.87Å
39	P	98.7	Very high	95.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	11%	0.106	C	C	.	.			trans	-68.4	162.4	-176.2	29.7	-34.8	0	0	0	112.5	G43 C44 I108 Y121 A144 Y146 G186	P39-G43 WeakPolarHBondContact CB-O 3.31Å; P39-C44 HydrophobicContact CG-CB 4.41Å; P39-I108 HydrophobicContact CB-CG2 4.12Å; P39-I108 HydrophobicContact CG-CG2 3.98Å; P39-Y121 HydrophobicContact CB-CE1 3.74Å; P39-A144 VanDerWaalsContact CD-O 3.26Å; P39-A144 WeakPolarHBondContact CD-O 3.31Å; P39-Y146 HydrophobicContact CG-CD1 4.2Å; P39-Y146 HydrophobicContact CG-CE1 3.9Å; P39-Y146 WeakPolarHBondContact O-CE1 3.48Å; P39-Y146 VanDerWaalsContact O-CZ 3.31Å; P39-Y146 PolarHBondContact O-OH 2.85Å; P39-G186 WeakPolarHBondContact O-CA 3.3Å; P39-G186 PolarHBondContact O-N 3.35Å
40	G	98.1	Very high	96.3	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.01	10%	0.104	C	C	.	.			trans	-92.1	-165.6	173.8	0	0	0	0	0	112.5	A42 G43 Y121 H183	G40-A42 PolarHBondContact O-N 3.39Å; G40-G43 PolarHBondContact O-N 3.06Å; G40-Y121 PolarHBondContact N-OH 3.14Å; G40-H183 WeakPolarHBondContact CA-O 3.48Å; G40-H183 PolarHBondContact N-O 2.96Å
41	T	96.1	Very high	96.6	Very high	42 Å²	42	17 Å²	17	26%	0.258	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	127.3	172.5	-51	0	0	0	0	109.6	G43 M185 L252	T41-G43 PolarHBondContact O-N 3.23Å; T41-G43 VanDerWaalsContact O-N 3.16Å; T41-M185 HydrophobicContact CG2-CE 4.49Å; T41-M185 WeakPolarHBondContact OG1-CB 3.08Å; T41-M185 VanDerWaalsContact OG1-CE 3.29Å; T41-M185 WeakPolarHBondContact OG1-CE 3.43Å; T41-M185 PolarHBondContact OG1-SD 2.77Å; T41-L252 HydrophobicContact CG2-CD2 4.49Å
42	A	94.6	Very high	96.5	Very high	14 Å²	14	23.7 Å²	23.7	12%	0.116	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	16.5	-179.9	0	0	0	0	0	115.1	G40 C44 W62 L111 F148	G40-A42 PolarHBondContact O-N 3.39Å; A42-C44 PolarHBondContact O-N 3.31Å; A42-W62 HydrophobicContact CB-CD2 4.45Å; A42-W62 VanDerWaalsContact CB-CE2 3.49Å; A42-W62 HydrophobicContact CB-CH2 3.7Å; A42-W62 HydrophobicContact CB-CZ2 3.11Å; A42-W62 PolarHBondContact O-NE1 3.31Å; A42-L111 WeakPolarHBondContact O-CD1 3.2Å; A42-F148 HydrophobicContact CB-CD2 4.25Å; A42-F148 HydrophobicContact CB-CE2 3.95Å; A42-F148 HydrophobicContact CB-CZ 4.2Å
43	G	96.2	Very high	96.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.01	13%	0.126	C	C	.	.			trans	-89	16	-174.1	0	0	0	0	0	115.8	P39 G40 T41 Y121	P39-G43 WeakPolarHBondContact CB-O 3.31Å; G40-G43 PolarHBondContact O-N 3.06Å; T41-G43 PolarHBondContact O-N 3.23Å; T41-G43 VanDerWaalsContact O-N 3.16Å; G43-Y121 WeakPolarHBondContact O-CD1 3.33Å; G43-Y121 WeakPolarHBondContact O-CE1 3.17Å
44	C	96.7	Very high	95.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	16%	0.157	C	C	.	.	S	Bend	trans	-146	160.7	170.9	60.9	0	0	0	0	111.3	P39 A42 S107 I108 P145 Y146 F148	P39-C44 HydrophobicContact CG-CB 4.41Å; A42-C44 PolarHBondContact O-N 3.31Å; C44-S107 CarbonylContact C-O 3.33Å; C44-S107 WeakPolarHBondContact CA-O 3.35Å; C44-I108 HydrophobicContact CB-CG2 3.75Å; C44-P145 HydrophobicContact CB-CB 3.6Å; C44-Y146 PolarHBondContact SG-O 2.8Å; C44-F148 WeakPolarHBondContact O-CE1 3.43Å
45	Q	96.6	Very high	95.2	Very high	13 Å²	13	33.6 Å²	33.6	6%	0.061	18%	0.184	C	C	.	.			trans	-64.8	150.3	173.4	-60.4	-165.6	15.7	0	0	112.1	F47 W62 W106 S107 N110 L111	Q45-F47 HydrophobicContact CB-CE2 3.89Å; Q45-W62 CarbonylContact C-O 3.5Å; Q45-W62 VanDerWaalsContact CA-O 3.3Å; Q45-W62 WeakPolarHBondContact CA-O 3.32Å; Q45-W106 HydrophobicContact CG-CZ3 4.5Å; Q45-S107 PolarHBondContact N-O 2.93Å; Q45-N110 WeakPolarHBondContact CG-O 3.1Å; Q45-N110 PolarHBondContact NE2-O 3.34Å; Q45-L111 WeakPolarHBondContact CG-O 3.45Å
46	A	96.8	Very high	94.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.1	170.8	0	0	0	0	0	111.3	V61 W62 F78 I97 V98 F99	A46-V61 HydrophobicContact CB-CG2 4.09Å; A46-V61 VanDerWaalsContact O-CG2 3.27Å; A46-V61 WeakPolarHBondContact O-CG2 3.38Å; A46-V61 PolarHBondContact O-N 3.37Å; A46-W62 HydrophobicContact CB-CB 3.82Å; A46-W62 PolarHBondContact N-O 3.28Å; A46-W62 PolarHBondContact O-N 3.49Å; A46-F78 HydrophobicContact CB-CE2 3.85Å; A46-F78 HydrophobicContact CB-CZ 4.43Å; A46-I97 HydrophobicContact CB-CG2 4.18Å; A46-V98 WeakPolarHBondContact CA-O 3.45Å; A46-F99 HydrophobicContact CB-CD1 3.79Å; A46-F99 HydrophobicContact CB-CE1 3.56Å; A46-F99 HydrophobicContact CB-CZ 4.14Å
47	F	96.1	Very high	94.2	Very high	21 Å²	21	44.7 Å²	44.7	9%	0.092	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.6	-179.8	-63.1	-105.9	0	0	0	110.2	Q45 L59 P60 I97 V98 P100 W106	Q45-F47 HydrophobicContact CB-CE2 3.89Å; F47-L59 CarbonylContact C-O 3.54Å; F47-L59 WeakPolarHBondContact CA-O 3.48Å; F47-P60 HydrophobicContact CD1-CB 4.02Å; F47-P60 HydrophobicContact CE1-CB 3.79Å; F47-P60 HydrophobicContact CZ-CB 4.46Å; F47-I97 CarbonylContact O-C 3.34Å; F47-I97 WeakPolarHBondContact O-CA 3.24Å; F47-V98 HydrophobicContact CB-CG2 3.79Å; F47-V98 PolarHBondContact N-O 3.03Å; F47-V98 PolarHBondContact O-N 3.12Å; F47-P100 HydrophobicContact CD2-CG 3.51Å; F47-P100 HydrophobicContact CE2-CG 3.48Å; F47-P100 VanDerWaalsContact CE2-CG 3.48Å; F47-W106 HydrophobicContact CE2-CH2 4.27Å; F47-W106 HydrophobicContact CE2-CZ3 4.41Å
48	A	95.6	Very high	93.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137.1	167.8	0	0	0	0	0	110.2	T58 L59 V61 V95 D96 I97	A48-T58 WeakPolarHBondContact O-CA 3.37Å; A48-L59 HydrophobicContact CB-CB 4.46Å; A48-L59 PolarHBondContact N-O 3.34Å; A48-L59 PolarHBondContact O-N 3.25Å; A48-V61 HydrophobicContact CB-CG1 3.58Å; A48-V95 HydrophobicContact CB-CG1 3.82Å; A48-D96 WeakPolarHBondContact CA-O 3.43Å; A48-I97 HydrophobicContact CB-CD1 3.69Å
49	V	95.6	Very high	93.5	Very high	22 Å²	22	51.6 Å²	51.6	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.3	167.3	-176.7	0	0	0	0	106.9	N56 T58 V95 D96 V98	V49-N56 HydrophobicContact CG1-CB 4.26Å; V49-T58 HydrophobicContact CG2-CG2 3.91Å; V49-V95 WeakPolarHBondContact O-CA 3.38Å; V49-D96 PolarHBondContact N-O 3.45Å; V49-D96 PolarHBondContact O-N 2.78Å; V49-V98 HydrophobicContact CG2-CG1 4.38Å; V49-V98 HydrophobicContact CG2-CG2 4.29Å
50	L	93.6	Very high	93.3	Very high	64 Å²	64	53.1 Å²	53.1	34%	0.335	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.7	178.9	-58	-178.5	0	0	0	109.1	N52 D53 Y77 V95	L50-N52 PolarHBondContact O-N 3.31Å; L50-N52 VanDerWaalsContact O-N 3.13Å; L50-D53 HydrophobicContact CB-CB 4.02Å; L50-D53 WeakPolarHBondContact O-CB 3.35Å; L50-D53 PolarHBondContact O-N 3.08Å; L50-Y77 HydrophobicContact CD2-CD1 4.19Å; L50-Y77 HydrophobicContact CD2-CE1 3.77Å; L50-V95 HydrophobicContact CD2-CG2 4.01Å
51	K	92	Very high	93.1	Very high	112 Å²	112	53 Å²	53	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25	-176.4	-70	-179.1	173.1	164.8	0	114	G94 D96	K51-G94 PolarHBondContact N-O 2.94Å; K51-D96 WeakPolarHBondContact CE-OD1 3.38Å; K51-D96 WeakPolarHBondContact CE-OD2 3.4Å; K51-D96 IonicContact NZ-OD1 2.75Å; K51-D96 PolarHBondContact NZ-OD1 3.15Å; K51-D96 IonicContact NZ-OD2 2.88Å
52	N	90.8	Very high	92.9	Very high	152 Å²	152	51.7 Å²	51.7	81%	0.813	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	2.2	-179.8	-61.8	-8.6	0	0	0	112.6	L50 P54	L50-N52 PolarHBondContact O-N 3.31Å; L50-N52 VanDerWaalsContact O-N 3.13Å; N52-P54 WeakPolarHBondContact O-CD 3.28Å
53	D	89	Confident	92.7	Very high	34 Å²	34	51.5 Å²	51.5	18%	0.182	27%	0.273	C	S	.	.			trans	-84	112.8	175.5	-178	4	0	0	0	109.6	L50 D55 N56 K57	L50-D53 HydrophobicContact CB-CB 4.02Å; L50-D53 WeakPolarHBondContact O-CB 3.35Å; L50-D53 PolarHBondContact O-N 3.08Å; D53-D55 PolarHBondContact O-N 3.43Å; D53-D55 VanDerWaalsContact O-N 3.14Å; D53-D55 PolarHBondContact OD1-N 2.68Å; D53-D55 VanDerWaalsContact OD1-N 3.1Å; D53-N56 PolarHBondContact O-N 2.81Å; D53-N56 VanDerWaalsContact O-N 3.07Å; D53-K57 VanDerWaalsContact OD2-CB 3.26Å; D53-K57 WeakPolarHBondContact OD2-CB 3.31Å; D53-K57 PolarHBondContact OD2-N 2.75Å; D53-K57 VanDerWaalsContact OD2-N 3.08Å
54	P	86.8	Confident	92.3	Very high	118 Å²	118	52.7 Å²	52.7	77%	0.766	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.3	-178.1	26.7	-35.4	0	0	0	113.2	N52	N52-P54 WeakPolarHBondContact O-CD 3.28Å
55	D	90.4	Very high	91.8	Very high	105 Å²	105	54.9 Å²	54.9	56%	0.561	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.2	-179.3	-64.7	-30	0	0	0	112.7	D53 K57	D53-D55 PolarHBondContact O-N 3.43Å; D53-D55 VanDerWaalsContact O-N 3.14Å; D53-D55 PolarHBondContact OD1-N 2.68Å; D53-D55 VanDerWaalsContact OD1-N 3.1Å; D55-K57 HydrophobicContact CB-CD 4.21Å; D55-K57 HydrophobicContact CB-CG 3.85Å; D55-K57 PolarHBondContact O-N 2.57Å; D55-K57 VanDerWaalsContact OD2-CE 3.22Å; D55-K57 WeakPolarHBondContact OD2-CE 3.3Å; D55-K57 IonicContact OD2-NZ 2.98Å; D55-K57 PolarHBondContact OD2-NZ 2.91Å
56	N	85.4	Confident	91.4	Very high	105 Å²	105	60.8 Å²	60.8	56%	0.561	32%	0.318	S	S	*	.			trans	47.4	40.8	-172.4	-73.7	-34.1	0	0	0	112.9	V49 D53 T58	V49-N56 HydrophobicContact CG1-CB 4.26Å; D53-N56 PolarHBondContact O-N 2.81Å; D53-N56 VanDerWaalsContact O-N 3.07Å; N56-T58 PolarHBondContact O-N 2.88Å
57	K	90.4	Very high	91	Very high	127 Å²	127	61.7 Å²	61.7	55%	0.552	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-65.9	135.8	-178.3	-68.7	168.6	-177.1	141.2	0	109.9	D53 D55	D53-K57 VanDerWaalsContact OD2-CB 3.26Å; D53-K57 WeakPolarHBondContact OD2-CB 3.31Å; D53-K57 PolarHBondContact OD2-N 2.75Å; D53-K57 VanDerWaalsContact OD2-N 3.08Å; D55-K57 HydrophobicContact CB-CD 4.21Å; D55-K57 HydrophobicContact CB-CG 3.85Å; D55-K57 PolarHBondContact O-N 2.57Å; D55-K57 VanDerWaalsContact OD2-CE 3.22Å; D55-K57 WeakPolarHBondContact OD2-CE 3.3Å; D55-K57 IonicContact OD2-NZ 2.98Å; D55-K57 PolarHBondContact OD2-NZ 2.91Å
58	T	92.2	Very high	90.6	Very high	81 Å²	81	60.7 Å²	60.7	50%	0.497	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.4	174.5	56.7	0	0	0	0	110.4	A48 V49 N56	A48-T58 WeakPolarHBondContact O-CA 3.37Å; V49-T58 HydrophobicContact CG2-CG2 3.91Å; N56-T58 PolarHBondContact O-N 2.88Å
59	L	92.3	Very high	90.2	Very high	69 Å²	69	63 Å²	63	36%	0.361	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.4	171.3	178.6	72.9	0	0	0	109.5	F47 A48 V61 Y77	F47-L59 CarbonylContact C-O 3.54Å; F47-L59 WeakPolarHBondContact CA-O 3.48Å; A48-L59 HydrophobicContact CB-CB 4.46Å; A48-L59 PolarHBondContact N-O 3.34Å; A48-L59 PolarHBondContact O-N 3.25Å; L59-V61 HydrophobicContact CD2-CG1 4.36Å; L59-V61 HydrophobicContact CG-CG1 4.49Å; L59-V61 PolarHBondContact O-N 2.97Å; L59-Y77 HydrophobicContact CD2-CD2 4.38Å; L59-Y77 HydrophobicContact CD2-CE2 4.1Å
60	P	93.1	Very high	89.9	Confident	32 Å²	32	67.4 Å²	67.4	21%	0.208	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	120.7	173.9	25.8	-33	0	0	0	110.2	F47 N64	F47-P60 HydrophobicContact CD1-CB 4.02Å; F47-P60 HydrophobicContact CE1-CB 3.79Å; F47-P60 HydrophobicContact CZ-CB 4.46Å; P60-N64 PolarHBondContact O-ND2 2.95Å
61	V	93.8	Very high	89.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-22.8	179.8	-67.6	0	0	0	0	113.3	A46 A48 L59 L67 F78 I97	A46-V61 HydrophobicContact CB-CG2 4.09Å; A46-V61 VanDerWaalsContact O-CG2 3.27Å; A46-V61 WeakPolarHBondContact O-CG2 3.38Å; A46-V61 PolarHBondContact O-N 3.37Å; A48-V61 HydrophobicContact CB-CG1 3.58Å; L59-V61 HydrophobicContact CD2-CG1 4.36Å; L59-V61 HydrophobicContact CG-CG1 4.49Å; L59-V61 PolarHBondContact O-N 2.97Å; V61-L67 HydrophobicContact CB-CD1 4.18Å; V61-L67 HydrophobicContact CG1-CD1 3.96Å; V61-F78 HydrophobicContact CB-CD2 4.25Å; V61-F78 HydrophobicContact CG2-CD2 3.7Å; V61-F78 HydrophobicContact CG2-CE2 3.91Å; V61-I97 HydrophobicContact CG2-CD1 4.31Å
62	W	93.6	Very high	89.7	Confident	13 Å²	13	68.1 Å²	68.1	5%	0.049	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.2	174.8	-177.7	-85.7	0	0	0	111.1	A42 Q45 A46 F68 F74 F78 L111 F148 F232	A42-W62 HydrophobicContact CB-CD2 4.45Å; A42-W62 VanDerWaalsContact CB-CE2 3.49Å; A42-W62 HydrophobicContact CB-CH2 3.7Å; A42-W62 HydrophobicContact CB-CZ2 3.11Å; A42-W62 PolarHBondContact O-NE1 3.31Å; Q45-W62 CarbonylContact C-O 3.5Å; Q45-W62 VanDerWaalsContact CA-O 3.3Å; Q45-W62 WeakPolarHBondContact CA-O 3.32Å; A46-W62 HydrophobicContact CB-CB 3.82Å; A46-W62 PolarHBondContact N-O 3.28Å; A46-W62 PolarHBondContact O-N 3.49Å; W62-F68 HydrophobicContact CE3-CE1 4.24Å; W62-F68 AromaticContact CE3-CZ 3.92Å; W62-F68 HydrophobicContact CE3-CZ 3.92Å; W62-F68 HydrophobicContact CH2-CZ 4.04Å; W62-F68 HydrophobicContact CZ3-CE1 4.1Å; W62-F68 HydrophobicContact CZ3-CE2 4.44Å; W62-F68 AromaticContact CZ3-CZ 3.42Å; W62-F68 HydrophobicContact CZ3-CZ 3.42Å; W62-F68 VanDerWaalsContact CZ3-CZ 3.42Å; W62-F74 HydrophobicContact CE3-CE2 4.45Å; W62-F74 HydrophobicContact CE3-CZ 4.16Å; W62-F74 HydrophobicContact CZ3-CZ 4.41Å; W62-F78 HydrophobicContact CB-CE2 4.23Å; W62-F78 HydrophobicContact CB-CZ 4.2Å; W62-L111 CarbonylContact C-O 3.58Å; W62-F148 HydrophobicContact CB-CZ 4.37Å; W62-F148 AromaticContact CD1-CE1 3.99Å; W62-F148 AromaticContact CD1-CZ 3.74Å; W62-F148 AromaticContact CD2-CZ 3.98Å; W62-F148 HydrophobicContact CD2-CZ 3.98Å; W62-F148 HydrophobicContact CG-CE1 4.39Å; W62-F148 AromaticContact CG-CZ 3.75Å; W62-F148 HydrophobicContact CG-CZ 3.75Å; W62-F148 AromaticContact NE1-CZ 3.94Å; W62-F232 AromaticContact CH2-CD1 3.9Å; W62-F232 HydrophobicContact CH2-CD1 3.9Å; W62-F232 HydrophobicContact CH2-CD2 4.44Å; W62-F232 HydrophobicContact CH2-CE1 4.11Å; W62-F232 HydrophobicContact CH2-CG 4.07Å; W62-F232 HydrophobicContact CH2-CZ 4.46Å; W62-F232 HydrophobicContact CZ3-CD1 4.44Å; W62-F232 HydrophobicContact CZ3-CD2 4.42Å; W62-F232 HydrophobicContact CZ3-CE1 4.32Å; W62-F232 HydrophobicContact CZ3-CE2 4.29Å; W62-F232 HydrophobicContact CZ3-CG 4.48Å; W62-F232 HydrophobicContact CZ3-CZ 4.23Å
63	L	90	Very high	89.8	Confident	11 Å²	11	65.3 Å²	65.3	6%	0.058	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	cis	-79.8	130.2	-16.1	-178.7	65	0	0	0	108.5	L65 F68 L111 D112	L63-L65 HydrophobicContact CD1-CD2 4.22Å; L63-L65 HydrophobicContact CD2-CD2 4.28Å; L63-L65 HydrophobicContact CG-CD2 4.23Å; L63-F68 HydrophobicContact CD1-CE1 4.46Å; L63-F68 HydrophobicContact CD1-CE2 3.75Å; L63-F68 HydrophobicContact CD1-CZ 3.59Å; L63-L111 HydrophobicContact CB-CB 4.01Å; L63-L111 WeakPolarHBondContact CB-O 3.21Å; L63-L111 PolarHBondContact N-O 3.39Å; L63-D112 HydrophobicContact CB-CB 4.4Å
64	N	88.4	Confident	90	Very high	26 Å²	26	63.8 Å²	63.8	14%	0.139	33%	0.329	C	S	.	.			trans	-139.1	100.1	177.4	-175.8	-28.6	0	0	0	109.7	P60 E66 L67 F68	P60-N64 PolarHBondContact O-ND2 2.95Å; N64-E66 VanDerWaalsContact C-N 3.28Å; N64-E66 PolarHBondContact O-N 2.93Å; N64-E66 WeakPolarHBondContact OD1-CB 3.48Å; N64-E66 PolarHBondContact OD1-N 3.49Å; N64-E66 VanDerWaalsContact OD1-N 3.14Å; N64-L67 HydrophobicContact CB-CB 4.1Å; N64-L67 HydrophobicContact CB-CD1 3.96Å; N64-L67 HydrophobicContact CB-CG 4.23Å; N64-L67 PolarHBondContact O-N 2.92Å; N64-L67 PolarHBondContact OD1-N 3.4Å; N64-F68 WeakPolarHBondContact O-CD1 3.5Å; N64-F68 PolarHBondContact O-N 3.35Å
65	L	85.9	Confident	90.3	Very high	46 Å²	46	59.6 Å²	59.6	24%	0.241	30%	0.302	C	S	.	.	H	α-helix	trans	-66.7	-28.8	-176.3	-60	-177.3	0	0	0	112.8	L63 F68 A69 V234 L236	L63-L65 HydrophobicContact CD1-CD2 4.22Å; L63-L65 HydrophobicContact CD2-CD2 4.28Å; L63-L65 HydrophobicContact CG-CD2 4.23Å; L65-F68 HydrophobicContact CD2-CD2 4.36Å; L65-F68 WeakPolarHBondContact O-CB 3.23Å; L65-F68 PolarHBondContact O-N 3.34Å; L65-A69 PolarHBondContact O-N 3.5Å; L65-V234 HydrophobicContact CD2-CG1 4.03Å; L65-V234 HydrophobicContact CD2-CG2 4.12Å; L65-L236 HydrophobicContact CB-CD1 4.34Å
66	E	87.6	Confident	90.4	Very high	137 Å²	137	61.1 Å²	61.1	64%	0.64	30%	0.303	S	S	*	.	H	α-helix	trans	-65.3	-44.9	174	-173	-178.3	178.2	0	0	110.5	N64 F68 A69 F70	N64-E66 VanDerWaalsContact C-N 3.28Å; N64-E66 PolarHBondContact O-N 2.93Å; N64-E66 WeakPolarHBondContact OD1-CB 3.48Å; N64-E66 PolarHBondContact OD1-N 3.49Å; N64-E66 VanDerWaalsContact OD1-N 3.14Å; E66-F68 PolarHBondContact O-N 3.42Å; E66-A69 WeakPolarHBondContact O-CB 3.15Å; E66-A69 PolarHBondContact O-N 2.86Å; E66-A69 VanDerWaalsContact O-N 3.11Å; E66-F70 HydrophobicContact CG-CD2 4.1Å; E66-F70 HydrophobicContact CG-CE2 4Å; E66-F70 VanDerWaalsContact O-CD2 3.24Å; E66-F70 WeakPolarHBondContact O-CD2 3.18Å; E66-F70 PolarHBondContact O-N 3.38Å; E66-F70 VanDerWaalsContact O-N 3.1Å
67	L	87.7	Confident	90.8	Very high	20 Å²	20	57.9 Å²	57.9	11%	0.105	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-29.8	174.5	-78.6	176.9	0	0	0	112.8	V61 N64 F70 I71 H73 F74	V61-L67 HydrophobicContact CB-CD1 4.18Å; V61-L67 HydrophobicContact CG1-CD1 3.96Å; N64-L67 HydrophobicContact CB-CB 4.1Å; N64-L67 HydrophobicContact CB-CD1 3.96Å; N64-L67 HydrophobicContact CB-CG 4.23Å; N64-L67 PolarHBondContact O-N 2.92Å; N64-L67 PolarHBondContact OD1-N 3.4Å; L67-F70 CarbonylContact O-C 3.31Å; L67-F70 WeakPolarHBondContact O-CA 3.23Å; L67-F70 PolarHBondContact O-N 3.42Å; L67-I71 PolarHBondContact O-N 2.95Å; L67-H73 HydrophobicContact CD2-CB 4.02Å; L67-F74 HydrophobicContact CB-CB 4.28Å; L67-F74 HydrophobicContact CB-CD2 4.5Å
68	F	88	Confident	91.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69	-38.1	174.8	-74.4	13.1	0	0	0	112	W62 L63 N64 L65 E66 F70 I71 F74 F232 L236 R237 F242	W62-F68 HydrophobicContact CE3-CE1 4.24Å; W62-F68 AromaticContact CE3-CZ 3.92Å; W62-F68 HydrophobicContact CE3-CZ 3.92Å; W62-F68 HydrophobicContact CH2-CZ 4.04Å; W62-F68 HydrophobicContact CZ3-CE1 4.1Å; W62-F68 HydrophobicContact CZ3-CE2 4.44Å; W62-F68 AromaticContact CZ3-CZ 3.42Å; W62-F68 HydrophobicContact CZ3-CZ 3.42Å; W62-F68 VanDerWaalsContact CZ3-CZ 3.42Å; L63-F68 HydrophobicContact CD1-CE1 4.46Å; L63-F68 HydrophobicContact CD1-CE2 3.75Å; L63-F68 HydrophobicContact CD1-CZ 3.59Å; N64-F68 WeakPolarHBondContact O-CD1 3.5Å; N64-F68 PolarHBondContact O-N 3.35Å; L65-F68 HydrophobicContact CD2-CD2 4.36Å; L65-F68 WeakPolarHBondContact O-CB 3.23Å; L65-F68 PolarHBondContact O-N 3.34Å; E66-F68 PolarHBondContact O-N 3.42Å; F68-F70 PolarHBondContact O-N 2.63Å; F68-I71 PolarHBondContact O-N 3.33Å; F68-F74 HydrophobicContact CD1-CD1 4.33Å; F68-F74 HydrophobicContact CD1-CD2 4.29Å; F68-F74 HydrophobicContact CD1-CE1 4.46Å; F68-F74 HydrophobicContact CD1-CE2 4.46Å; F68-F74 HydrophobicContact CD1-CG 4.23Å; F68-F74 HydrophobicContact CE1-CD1 4.3Å; F68-F74 HydrophobicContact CE1-CD2 4.1Å; F68-F74 AromaticContact CE1-CE1 4Å; F68-F74 HydrophobicContact CE1-CE1 4Å; F68-F74 AromaticContact CE1-CE2 3.82Å; F68-F74 HydrophobicContact CE1-CE2 3.82Å; F68-F74 HydrophobicContact CE1-CG 4.34Å; F68-F74 AromaticContact CE1-CZ 3.76Å; F68-F74 HydrophobicContact CE1-CZ 3.76Å; F68-F232 HydrophobicContact CE2-CD2 4.11Å; F68-F232 HydrophobicContact CZ-CD2 4.23Å; F68-L236 HydrophobicContact CB-CD1 4.35Å; F68-R237 WeakPolarHBondContact O-CG 3.4Å; F68-F242 HydrophobicContact CB-CE1 4.2Å; F68-F242 HydrophobicContact CB-CZ 4.14Å; F68-F242 HydrophobicContact CD1-CE1 4.07Å; F68-F242 AromaticContact CD2-CE1 3.91Å; F68-F242 HydrophobicContact CD2-CE1 3.91Å; F68-F242 HydrophobicContact CD2-CZ 4.02Å; F68-F242 HydrophobicContact CE1-CE1 4.46Å; F68-F242 HydrophobicContact CE2-CE1 4.3Å; F68-F242 AromaticContact CG-CE1 3.8Å; F68-F242 HydrophobicContact CG-CE1 3.8Å; F68-F242 HydrophobicContact CG-CZ 4.09Å
69	A	86.8	Confident	91.3	Very high	48 Å²	48	52 Å²	52	40%	0.397	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-37.7	170.9	0	0	0	0	0	110.8	L65 E66 I71	L65-A69 PolarHBondContact O-N 3.5Å; E66-A69 WeakPolarHBondContact O-CB 3.15Å; E66-A69 PolarHBondContact O-N 2.86Å; E66-A69 VanDerWaalsContact O-N 3.11Å; A69-I71 PolarHBondContact O-N 3.4Å
70	F	91.1	Very high	91.5	Very high	116 Å²	116	48.9 Å²	48.9	51%	0.509	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	52.8	174.3	-60.8	-70.5	0	0	0	113.6	E66 L67 F68 K72 H73 F74	E66-F70 HydrophobicContact CG-CD2 4.1Å; E66-F70 HydrophobicContact CG-CE2 4Å; E66-F70 VanDerWaalsContact O-CD2 3.24Å; E66-F70 WeakPolarHBondContact O-CD2 3.18Å; E66-F70 PolarHBondContact O-N 3.38Å; E66-F70 VanDerWaalsContact O-N 3.1Å; L67-F70 CarbonylContact O-C 3.31Å; L67-F70 WeakPolarHBondContact O-CA 3.23Å; L67-F70 PolarHBondContact O-N 3.42Å; F68-F70 PolarHBondContact O-N 2.63Å; F70-K72 PolarHBondContact O-N 3.32Å; F70-H73 HydrophobicContact CB-CB 4.46Å; F70-H73 WeakPolarHBondContact O-CB 3.48Å; F70-H73 PolarHBondContact O-N 3.06Å; F70-F74 PolarHBondContact O-N 3.3Å
71	I	89.8	Confident	91.7	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.056	25%	0.247	C	C	.	.	H	α-helix	trans	-48.2	-30.6	-169.8	-166.2	59	0	0	0	116.4	L67 F68 A69 H73 F74 T75 S241 F242	L67-I71 PolarHBondContact O-N 2.95Å; F68-I71 PolarHBondContact O-N 3.33Å; A69-I71 PolarHBondContact O-N 3.4Å; I71-H73 VanDerWaalsContact C-N 3.35Å; I71-F74 HydrophobicContact CD1-CB 4.36Å; I71-F74 HydrophobicContact CD1-CD1 3.85Å; I71-F74 PolarHBondContact O-N 3.45Å; I71-T75 WeakPolarHBondContact O-CB 3.49Å; I71-T75 PolarHBondContact O-N 3.4Å; I71-T75 PolarHBondContact O-OG1 3.26Å; I71-S241 VanDerWaalsContact CG1-O 3.31Å; I71-S241 WeakPolarHBondContact CG1-O 3.32Å; I71-F242 HydrophobicContact CD1-CD1 3.35Å; I71-F242 HydrophobicContact CD1-CE1 3.37Å; I71-F242 HydrophobicContact CD1-CG 3.99Å; I71-F242 HydrophobicContact CD1-CZ 4.01Å
72	K	91.5	Very high	91.8	Very high	180 Å²	180	53.5 Å²	53.5	78%	0.783	25%	0.253	S	S	*	.	H	α-helix	trans	-62.7	-40.5	175.3	-70.4	-174.8	178.1	-179.1	0	111.9	F70 K76	F70-K72 PolarHBondContact O-N 3.32Å; K72-K76 WeakPolarHBondContact O-CB 3.36Å; K72-K76 PolarHBondContact O-N 3.04Å
73	H	91.8	Very high	91.9	Very high	93 Å²	93	55.2 Å²	55.2	43%	0.431	26%	0.263	S	S	.	.	H	α-helix	trans	-69.5	-44.5	175.8	-64.7	99.6	0	0	0	111.1	L67 F70 I71 T75 K76 Y77	L67-H73 HydrophobicContact CD2-CB 4.02Å; F70-H73 HydrophobicContact CB-CB 4.46Å; F70-H73 WeakPolarHBondContact O-CB 3.48Å; F70-H73 PolarHBondContact O-N 3.06Å; I71-H73 VanDerWaalsContact C-N 3.35Å; H73-T75 VanDerWaalsContact C-N 3.31Å; H73-T75 PolarHBondContact O-N 2.94Å; H73-K76 WeakPolarHBondContact O-CB 3.24Å; H73-K76 PolarHBondContact O-N 2.95Å; H73-K76 VanDerWaalsContact O-N 3.15Å; H73-Y77 HydrophobicContact CB-CE2 4.24Å; H73-Y77 WeakPolarHBondContact O-CD2 3.37Å; H73-Y77 PolarHBondContact O-N 3.21Å; H73-Y77 VanDerWaalsContact O-N 3.09Å
74	F	93.3	Very high	92	Very high	1 Å²	1	58.1 Å²	58.1	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-55.8	-47.9	173.9	-179.7	-116.6	0	0	0	111.5	W62 L67 F68 F70 I71 K76 Y77 F78 F242 V245	W62-F74 HydrophobicContact CE3-CE2 4.45Å; W62-F74 HydrophobicContact CE3-CZ 4.16Å; W62-F74 HydrophobicContact CZ3-CZ 4.41Å; L67-F74 HydrophobicContact CB-CB 4.28Å; L67-F74 HydrophobicContact CB-CD2 4.5Å; F68-F74 HydrophobicContact CD1-CD1 4.33Å; F68-F74 HydrophobicContact CD1-CD2 4.29Å; F68-F74 HydrophobicContact CD1-CE1 4.46Å; F68-F74 HydrophobicContact CD1-CE2 4.46Å; F68-F74 HydrophobicContact CD1-CG 4.23Å; F68-F74 HydrophobicContact CE1-CD1 4.3Å; F68-F74 HydrophobicContact CE1-CD2 4.1Å; F68-F74 AromaticContact CE1-CE1 4Å; F68-F74 HydrophobicContact CE1-CE1 4Å; F68-F74 AromaticContact CE1-CE2 3.82Å; F68-F74 HydrophobicContact CE1-CE2 3.82Å; F68-F74 HydrophobicContact CE1-CG 4.34Å; F68-F74 AromaticContact CE1-CZ 3.76Å; F68-F74 HydrophobicContact CE1-CZ 3.76Å; F70-F74 PolarHBondContact O-N 3.3Å; I71-F74 HydrophobicContact CD1-CB 4.36Å; I71-F74 HydrophobicContact CD1-CD1 3.85Å; I71-F74 PolarHBondContact O-N 3.45Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.86Å; F74-Y77 PolarHBondContact O-N 3.33Å; F74-F78 HydrophobicContact CD2-CB 4.02Å; F74-F78 HydrophobicContact CD2-CG 4.43Å; F74-F78 HydrophobicContact CE1-CD1 4.31Å; F74-F78 HydrophobicContact CE2-CB 3.69Å; F74-F78 AromaticContact CE2-CD1 3.73Å; F74-F78 HydrophobicContact CE2-CD1 3.73Å; F74-F78 HydrophobicContact CE2-CD2 4.28Å; F74-F78 HydrophobicContact CE2-CE1 4.43Å; F74-F78 AromaticContact CE2-CG 3.64Å; F74-F78 HydrophobicContact CE2-CG 3.64Å; F74-F78 HydrophobicContact CZ-CB 4.02Å; F74-F78 AromaticContact CZ-CD1 3.44Å; F74-F78 HydrophobicContact CZ-CD1 3.44Å; F74-F78 VanDerWaalsContact CZ-CD1 3.44Å; F74-F78 HydrophobicContact CZ-CE1 4.08Å; F74-F78 AromaticContact CZ-CG 3.84Å; F74-F78 HydrophobicContact CZ-CG 3.84Å; F74-F78 VanDerWaalsContact O-CB 3.22Å; F74-F78 WeakPolarHBondContact O-CB 3.41Å; F74-F78 PolarHBondContact O-N 3.28Å; F74-F242 HydrophobicContact CE1-CD1 4.41Å; F74-V245 HydrophobicContact CD1-CG1 4.01Å; F74-V245 HydrophobicContact CD1-CG2 4.45Å; F74-V245 HydrophobicContact CE1-CB 4.45Å; F74-V245 HydrophobicContact CE1-CG1 3.73Å; F74-V245 HydrophobicContact CE1-CG2 3.97Å; F74-V245 HydrophobicContact CZ-CG2 4.46Å
75	T	93.4	Very high	92.3	Very high	30 Å²	30	66.2 Å²	66.2	18%	0.184	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-39.5	178	-55.5	0	0	0	0	111.7	I71 H73 Y77 K79 H244 V245	I71-T75 WeakPolarHBondContact O-CB 3.49Å; I71-T75 PolarHBondContact O-N 3.4Å; I71-T75 PolarHBondContact O-OG1 3.26Å; H73-T75 VanDerWaalsContact C-N 3.31Å; H73-T75 PolarHBondContact O-N 2.94Å; T75-Y77 VanDerWaalsContact C-N 3.33Å; T75-Y77 PolarHBondContact O-N 3.01Å; T75-K79 HydrophobicContact CG2-CB 4.25Å; T75-K79 HydrophobicContact CG2-CD 4.22Å; T75-K79 WeakPolarHBondContact O-CB 3.1Å; T75-K79 PolarHBondContact O-N 3.23Å; T75-H244 HydrophobicContact CG2-CB 4.36Å; T75-V245 HydrophobicContact CG2-CB 4.4Å
76	K	92.8	Very high	92.7	Very high	137 Å²	137	67.2 Å²	67.2	60%	0.596	33%	0.325	S	S	*	.	H	α-helix	trans	-59.8	-41.8	178.3	-178.6	-176.7	176	-173.9	0	112.2	K72 H73 F74 A92	K72-K76 WeakPolarHBondContact O-CB 3.36Å; K72-K76 PolarHBondContact O-N 3.04Å; H73-K76 WeakPolarHBondContact O-CB 3.24Å; H73-K76 PolarHBondContact O-N 2.95Å; H73-K76 VanDerWaalsContact O-N 3.15Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.86Å; K76-A92 WeakPolarHBondContact O-CB 3.35Å
77	Y	94	Very high	92.9	Very high	37 Å²	37	61.4 Å²	61.4	15%	0.145	30%	0.301	C	S	.	.	H	α-helix	trans	-86.2	-44.5	-177.4	-60.7	-54.9	0	0	0	112.9	L50 L59 H73 F74 T75 V95 I97	L50-Y77 HydrophobicContact CD2-CD1 4.19Å; L50-Y77 HydrophobicContact CD2-CE1 3.77Å; L59-Y77 HydrophobicContact CD2-CD2 4.38Å; L59-Y77 HydrophobicContact CD2-CE2 4.1Å; H73-Y77 HydrophobicContact CB-CE2 4.24Å; H73-Y77 WeakPolarHBondContact O-CD2 3.37Å; H73-Y77 PolarHBondContact O-N 3.21Å; H73-Y77 VanDerWaalsContact O-N 3.09Å; F74-Y77 PolarHBondContact O-N 3.33Å; T75-Y77 VanDerWaalsContact C-N 3.33Å; T75-Y77 PolarHBondContact O-N 3.01Å; Y77-V95 HydrophobicContact CD1-CG1 4.43Å; Y77-V95 HydrophobicContact CD1-CG2 3.88Å; Y77-V95 HydrophobicContact CE1-CG2 4.48Å; Y77-I97 WeakPolarHBondContact O-CD1 3.38Å
78	F	96	Very high	93.3	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-93.8	-20.3	-162	-155.5	-112.1	0	0	0	114.4	A46 V61 W62 F74 I97 F148 R149 V245 M249	A46-F78 HydrophobicContact CB-CE2 3.85Å; A46-F78 HydrophobicContact CB-CZ 4.43Å; V61-F78 HydrophobicContact CB-CD2 4.25Å; V61-F78 HydrophobicContact CG2-CD2 3.7Å; V61-F78 HydrophobicContact CG2-CE2 3.91Å; W62-F78 HydrophobicContact CB-CE2 4.23Å; W62-F78 HydrophobicContact CB-CZ 4.2Å; F74-F78 HydrophobicContact CD2-CB 4.02Å; F74-F78 HydrophobicContact CD2-CG 4.43Å; F74-F78 HydrophobicContact CE1-CD1 4.31Å; F74-F78 HydrophobicContact CE2-CB 3.69Å; F74-F78 AromaticContact CE2-CD1 3.73Å; F74-F78 HydrophobicContact CE2-CD1 3.73Å; F74-F78 HydrophobicContact CE2-CD2 4.28Å; F74-F78 HydrophobicContact CE2-CE1 4.43Å; F74-F78 AromaticContact CE2-CG 3.64Å; F74-F78 HydrophobicContact CE2-CG 3.64Å; F74-F78 HydrophobicContact CZ-CB 4.02Å; F74-F78 AromaticContact CZ-CD1 3.44Å; F74-F78 HydrophobicContact CZ-CD1 3.44Å; F74-F78 VanDerWaalsContact CZ-CD1 3.44Å; F74-F78 HydrophobicContact CZ-CE1 4.08Å; F74-F78 AromaticContact CZ-CG 3.84Å; F74-F78 HydrophobicContact CZ-CG 3.84Å; F74-F78 VanDerWaalsContact O-CB 3.22Å; F74-F78 WeakPolarHBondContact O-CB 3.41Å; F74-F78 PolarHBondContact O-N 3.28Å; F78-I97 HydrophobicContact CD2-CG2 4.38Å; F78-I97 HydrophobicContact CE2-CG2 4.08Å; F78-F148 HydrophobicContact CE1-CE2 4.06Å; F78-F148 HydrophobicContact CE1-CZ 4.35Å; F78-F148 AromaticContact CZ-CE2 3.79Å; F78-F148 HydrophobicContact CZ-CE2 3.79Å; F78-F148 AromaticContact CZ-CZ 3.68Å; F78-F148 HydrophobicContact CZ-CZ 3.68Å; F78-R149 HydrophobicContact CE1-CG 3.81Å; F78-R149 HydrophobicContact CZ-CG 3.9Å; F78-R149 PolarHBondContact O-NH1 3.05Å; F78-R149 VanDerWaalsContact O-NH1 3.16Å; F78-V245 HydrophobicContact CB-CG2 4.15Å; F78-V245 HydrophobicContact CD1-CG2 3.99Å; F78-M249 HydrophobicContact CD1-CE 3.65Å; F78-M249 HydrophobicContact CE1-CE 3.58Å
79	K	95.7	Very high	93.7	Very high	86 Å²	86	66 Å²	66	37%	0.374	32%	0.317	S	S	.	.			trans	-66	135.7	-179.6	-175.5	-166.4	171.2	-168.3	0	110.8	T75 V245 S248	T75-K79 HydrophobicContact CG2-CB 4.25Å; T75-K79 HydrophobicContact CG2-CD 4.22Å; T75-K79 WeakPolarHBondContact O-CB 3.1Å; T75-K79 PolarHBondContact O-N 3.23Å; K79-V245 HydrophobicContact CB-CB 4.45Å; K79-V245 HydrophobicContact CB-CG2 4.29Å; K79-S248 WeakPolarHBondContact CG-OG 3.17Å
80	L	97.7	Very high	94.2	Very high	3 Å²	3	68.6 Å²	68.6	2%	0.016	32%	0.318	C	S	.	.			trans	-84.8	153.6	171.3	-71.3	170	0	0	0	112	Y90 R149 K150 S248	L80-Y90 CarbonylContact C-O 3.59Å; L80-Y90 WeakPolarHBondContact CA-O 3.21Å; L80-Y90 WeakPolarHBondContact CD2-O 3.3Å; L80-R149 HydrophobicContact CD1-CB 3.62Å; L80-R149 HydrophobicContact CG-CB 4.39Å; L80-K150 HydrophobicContact CD1-CG 4.02Å; L80-S248 WeakPolarHBondContact CB-O 3.26Å; L80-S248 PolarHBondContact N-OG 3.13Å; L80-S248 VanDerWaalsContact O-CB 3.28Å; L80-S248 WeakPolarHBondContact O-CB 3.14Å
81	Q	96.9	Very high	94.5	Very high	101 Å²	101	64.6 Å²	64.6	47%	0.472	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.5	169.1	-60.2	-175.9	-1.9	0	0	108.4	S89 Y90	Q81-S89 CarbonylContact O-C 3.57Å; Q81-S89 VanDerWaalsContact O-CA 3.32Å; Q81-S89 WeakPolarHBondContact O-CA 3.31Å; Q81-Y90 PolarHBondContact N-O 3.18Å; Q81-Y90 PolarHBondContact O-N 3.43Å
82	Y	96.7	Very high	94.7	Very high	28 Å²	28	64.6 Å²	64.6	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.3	-179.9	178.6	-91.1	0	0	0	111	P84 R88 S89 P250 I292 Q295 M296 D299	Y82-P84 HydrophobicContact CD1-CB 4.5Å; Y82-P84 HydrophobicContact CE1-CB 4.03Å; Y82-R88 WeakPolarHBondContact CA-O 3.44Å; Y82-S89 WeakPolarHBondContact CD2-OG 3.48Å; Y82-P250 HydrophobicContact CD2-CG 4.36Å; Y82-I292 HydrophobicContact CD1-CG2 3.45Å; Y82-I292 VanDerWaalsContact CD1-CG2 3.45Å; Y82-I292 HydrophobicContact CE1-CG2 4.01Å; Y82-I292 HydrophobicContact CG-CG2 4.2Å; Y82-Q295 HydrophobicContact CE1-CB 4.39Å; Y82-Q295 HydrophobicContact CE1-CG 4.21Å; Y82-Q295 WeakPolarHBondContact OH-CG 3.43Å; Y82-M296 HydrophobicContact CD1-CE 4.05Å; Y82-M296 HydrophobicContact CD1-CG 4.23Å; Y82-M296 HydrophobicContact CD2-CE 3.77Å; Y82-M296 HydrophobicContact CD2-CG 3.81Å; Y82-M296 HydrophobicContact CE1-CG 4.12Å; Y82-M296 HydrophobicContact CE2-CG 3.76Å; Y82-M296 HydrophobicContact CG-CE 3.42Å; Y82-M296 VanDerWaalsContact CG-CE 3.42Å; Y82-M296 HydrophobicContact CG-CG 4.05Å; Y82-D299 PolarHBondContact OH-OD2 2.65Å
83	D	95.7	Very high	94.9	Very high	48 Å²	48	64.5 Å²	64.5	26%	0.257	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	107.4	175.5	173.9	12.9	0	0	0	110	K85 T86 G87 R88 Y90	D83-K85 PolarHBondContact O-N 2.76Å; D83-K85 WeakPolarHBondContact OD1-CB 3.19Å; D83-K85 PolarHBondContact OD1-N 2.93Å; D83-T86 WeakPolarHBondContact CB-OG1 3.47Å; D83-T86 VanDerWaalsContact CG-OG1 3.24Å; D83-T86 PolarHBondContact O-N 3.04Å; D83-T86 WeakPolarHBondContact OD2-CB 3.18Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.11Å; D83-T86 PolarHBondContact OD2-OG1 2.94Å; D83-G87 PolarHBondContact O-N 3.37Å; D83-R88 PolarHBondContact N-O 2.77Å; D83-R88 PolarHBondContact O-N 3.28Å; D83-Y90 HydrophobicContact CB-CE2 3.91Å
84	P	91.9	Very high	95	Very high	73 Å²	73	61.4 Å²	61.4	47%	0.474	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.8	-177.9	29.4	-35.8	0	0	0	113.4	Y82	Y82-P84 HydrophobicContact CD1-CB 4.5Å; Y82-P84 HydrophobicContact CE1-CB 4.03Å
85	K	93.4	Very high	95.1	Very high	195 Å²	195	61.7 Å²	61.7	85%	0.848	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-33.6	175.8	-63.4	-178.6	179.1	178.4	0	111.9	D83	D83-K85 PolarHBondContact O-N 2.76Å; D83-K85 WeakPolarHBondContact OD1-CB 3.19Å; D83-K85 PolarHBondContact OD1-N 2.93Å
86	T	94.3	Very high	95.2	Very high	68 Å²	68	63.4 Å²	63.4	42%	0.417	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-16.2	-177.4	57.9	0	0	0	0	112.6	D83 R88 Y90	D83-T86 WeakPolarHBondContact CB-OG1 3.47Å; D83-T86 VanDerWaalsContact CG-OG1 3.24Å; D83-T86 PolarHBondContact O-N 3.04Å; D83-T86 WeakPolarHBondContact OD2-CB 3.18Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.11Å; D83-T86 PolarHBondContact OD2-OG1 2.94Å; T86-R88 VanDerWaalsContact C-N 3.29Å; T86-Y90 PolarHBondContact OG1-OH 3.21Å
87	G	92.8	Very high	95.4	Very high	14 Å²	14	57.5 Å²	57.5	14%	0.144	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	29.4	-174.2	0	0	0	0	0	112.1	D83 D299	D83-G87 PolarHBondContact O-N 3.37Å; G87-D299 VanDerWaalsContact CA-OD2 3.24Å; G87-D299 WeakPolarHBondContact CA-OD2 3.49Å
88	R	95.2	Very high	95.5	Very high	112 Å²	112	58.5 Å²	58.5	42%	0.423	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.9	-171.1	-61.8	179.9	-177	-174.5	-6.2	112.7	Y82 D83 T86 Y90 E154 Y156	Y82-R88 WeakPolarHBondContact CA-O 3.44Å; D83-R88 PolarHBondContact N-O 2.77Å; D83-R88 PolarHBondContact O-N 3.28Å; T86-R88 VanDerWaalsContact C-N 3.29Å; R88-Y90 HydrophobicContact CB-CE2 4.04Å; R88-E154 WeakPolarHBondContact CA-OE1 3.26Å; R88-Y156 VanDerWaalsContact CD-OH 3.31Å; R88-Y156 WeakPolarHBondContact CD-OH 3.48Å; R88-Y156 WeakPolarHBondContact CG-OH 3.48Å; R88-Y156 PolarHBondContact NE-OH 2.98Å
89	S	97.4	Very high	95.5	Very high	4 Å²	4	60 Å²	60	3%	0.028	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.8	179.2	-46.4	0	0	0	0	111.2	Q81 Y82 K150 E154 P250	Q81-S89 CarbonylContact O-C 3.57Å; Q81-S89 VanDerWaalsContact O-CA 3.32Å; Q81-S89 WeakPolarHBondContact O-CA 3.31Å; Y82-S89 WeakPolarHBondContact CD2-OG 3.48Å; S89-K150 PolarHBondContact O-NZ 3.47Å; S89-K150 VanDerWaalsContact O-NZ 3.09Å; S89-E154 WeakPolarHBondContact CA-OE1 3.33Å; S89-E154 WeakPolarHBondContact CB-OE1 3.4Å; S89-E154 PolarHBondContact N-OE1 3.19Å; S89-E154 PolarHBondContact OG-OE1 3.35Å; S89-P250 VanDerWaalsContact OG-CG 3.28Å; S89-P250 WeakPolarHBondContact OG-CG 3.48Å
90	Y	97.3	Very high	95.5	Very high	103 Å²	103	57.5 Å²	57.5	40%	0.404	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	153	179.6	-54.3	-85	0	0	0	110.1	L80 Q81 D83 T86 R88	L80-Y90 CarbonylContact C-O 3.59Å; L80-Y90 WeakPolarHBondContact CA-O 3.21Å; L80-Y90 WeakPolarHBondContact CD2-O 3.3Å; Q81-Y90 PolarHBondContact N-O 3.18Å; Q81-Y90 PolarHBondContact O-N 3.43Å; D83-Y90 HydrophobicContact CB-CE2 3.91Å; T86-Y90 PolarHBondContact OG1-OH 3.21Å; R88-Y90 HydrophobicContact CB-CE2 4.04Å
91	D	97.2	Very high	95.5	Very high	32 Å²	32	57.7 Å²	57.7	17%	0.171	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-63.1	162.9	171.1	-75.2	-34.2	0	0	0	111.5	V95 I97 R149	D91-V95 WeakPolarHBondContact CB-O 3.37Å; D91-I97 PolarHBondContact OD2-N 3.15Å; D91-R149 IonicContact OD1-CZ 3.63Å; D91-R149 IonicContact OD1-NH1 3.97Å; D91-R149 PolarHBondContact OD1-NH1 3.18Å; D91-R149 IonicContact OD1-NH2 3.79Å; D91-R149 PolarHBondContact OD1-NH2 3.18Å
92	A	94.9	Very high	95.6	Very high	12 Å²	12	56.1 Å²	56.1	10%	0.099	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-57.7	147	173.2	0	0	0	0	0	111.3	K76 G94 V95	K76-A92 WeakPolarHBondContact O-CB 3.35Å; A92-G94 PolarHBondContact O-N 2.86Å; A92-V95 HydrophobicContact CB-CG2 4.46Å; A92-V95 PolarHBondContact O-N 3.34Å; A92-V95 VanDerWaalsContact O-O 3.1Å
93	E	94.2	Very high	95.6	Very high	178 Å²	178	54.8 Å²	54.8	83%	0.832	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	133.5	179.9	-171.2	179.4	-178.3	0	0	111.8	V95	E93-V95 VanDerWaalsContact C-N 3.25Å; E93-V95 PolarHBondContact O-N 3.24Å
94	G	94.3	Very high	95.8	Very high	28 Å²	28	56 Å²	56	29%	0.289	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	5.6	-179	0	0	0	0	0	115.3	K51 A92	K51-G94 PolarHBondContact N-O 2.94Å; A92-G94 PolarHBondContact O-N 2.86Å
95	V	95.1	Very high	96.1	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.4	-177.9	-170.6	0	0	0	0	109.3	A48 V49 L50 Y77 D91 A92 E93 I97	A48-V95 HydrophobicContact CB-CG1 3.82Å; V49-V95 WeakPolarHBondContact O-CA 3.38Å; L50-V95 HydrophobicContact CD2-CG2 4.01Å; Y77-V95 HydrophobicContact CD1-CG1 4.43Å; Y77-V95 HydrophobicContact CD1-CG2 3.88Å; Y77-V95 HydrophobicContact CE1-CG2 4.48Å; D91-V95 WeakPolarHBondContact CB-O 3.37Å; A92-V95 HydrophobicContact CB-CG2 4.46Å; A92-V95 PolarHBondContact O-N 3.34Å; A92-V95 VanDerWaalsContact O-O 3.1Å; E93-V95 VanDerWaalsContact C-N 3.25Å; E93-V95 PolarHBondContact O-N 3.24Å; V95-I97 HydrophobicContact CG1-CD1 3.69Å; V95-I97 HydrophobicContact CG1-CG1 4.42Å
96	D	95.4	Very high	96.2	Very high	66 Å²	66	47.8 Å²	47.8	35%	0.353	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.7	160.4	-66.5	-45.6	0	0	0	108.6	A48 V49 K51	A48-D96 WeakPolarHBondContact CA-O 3.43Å; V49-D96 PolarHBondContact N-O 3.45Å; V49-D96 PolarHBondContact O-N 2.78Å; K51-D96 WeakPolarHBondContact CE-OD1 3.38Å; K51-D96 WeakPolarHBondContact CE-OD2 3.4Å; K51-D96 IonicContact NZ-OD1 2.75Å; K51-D96 PolarHBondContact NZ-OD1 3.15Å; K51-D96 IonicContact NZ-OD2 2.88Å
97	I	96.9	Very high	96.3	Very high	13 Å²	13	44.6 Å²	44.6	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.6	175	-56.9	-59	0	0	0	109.2	A46 F47 A48 V61 Y77 F78 D91 V95 F99	A46-I97 HydrophobicContact CB-CG2 4.18Å; F47-I97 CarbonylContact O-C 3.34Å; F47-I97 WeakPolarHBondContact O-CA 3.24Å; A48-I97 HydrophobicContact CB-CD1 3.69Å; V61-I97 HydrophobicContact CG2-CD1 4.31Å; Y77-I97 WeakPolarHBondContact O-CD1 3.38Å; F78-I97 HydrophobicContact CD2-CG2 4.38Å; F78-I97 HydrophobicContact CE2-CG2 4.08Å; D91-I97 PolarHBondContact OD2-N 3.15Å; V95-I97 HydrophobicContact CG1-CD1 3.69Å; V95-I97 HydrophobicContact CG1-CG1 4.42Å; I97-F99 HydrophobicContact CB-CE2 4.45Å; I97-F99 HydrophobicContact CG2-CD2 4.48Å; I97-F99 HydrophobicContact CG2-CE2 3.67Å; I97-F99 HydrophobicContact CG2-CZ 3.74Å
98	V	96.1	Very high	96.5	Very high	58 Å²	58	43.9 Å²	43.9	35%	0.352	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.4	-179.4	-58.2	0	0	0	0	111.1	A46 F47 V49 P100	A46-V98 WeakPolarHBondContact CA-O 3.45Å; F47-V98 HydrophobicContact CB-CG2 3.79Å; F47-V98 PolarHBondContact N-O 3.03Å; F47-V98 PolarHBondContact O-N 3.12Å; V49-V98 HydrophobicContact CG2-CG1 4.38Å; V49-V98 HydrophobicContact CG2-CG2 4.29Å; V98-P100 WeakPolarHBondContact O-CD 3.44Å
99	F	97	Very high	96.6	Very high	32 Å²	32	39.6 Å²	39.6	14%	0.14	20%	0.197	C	C	.	.			trans	-115.7	88.3	178.6	-62.2	-93	0	0	0	108.1	A46 I97 Y146 D147 F148 R149	A46-F99 HydrophobicContact CB-CD1 3.79Å; A46-F99 HydrophobicContact CB-CE1 3.56Å; A46-F99 HydrophobicContact CB-CZ 4.14Å; I97-F99 HydrophobicContact CB-CE2 4.45Å; I97-F99 HydrophobicContact CG2-CD2 4.48Å; I97-F99 HydrophobicContact CG2-CE2 3.67Å; I97-F99 HydrophobicContact CG2-CZ 3.74Å; F99-Y146 WeakPolarHBondContact CD1-O 3.26Å; F99-D147 HydrophobicContact CD2-CB 3.74Å; F99-D147 HydrophobicContact CE2-CB 3.41Å; F99-D147 VanDerWaalsContact CE2-CB 3.41Å; F99-D147 WeakPolarHBondContact CE2-OD1 3.33Å; F99-D147 HydrophobicContact CZ-CB 3.91Å; F99-D147 VanDerWaalsContact CZ-CG 3.46Å; F99-D147 WeakPolarHBondContact CZ-OD1 3.48Å; F99-F148 HydrophobicContact CD1-CD1 4.1Å; F99-F148 AromaticContact CD1-CE1 4Å; F99-F148 HydrophobicContact CD1-CE1 4Å; F99-F148 AromaticContact CE1-CD1 3.71Å; F99-F148 HydrophobicContact CE1-CD1 3.71Å; F99-F148 AromaticContact CE1-CE1 3.5Å; F99-F148 HydrophobicContact CE1-CE1 3.5Å; F99-F148 VanDerWaalsContact CE1-CE1 3.5Å; F99-F148 HydrophobicContact CE1-CG 4.41Å; F99-F148 HydrophobicContact CE1-CZ 4.03Å; F99-R149 HydrophobicContact CZ-CG 4.49Å
100	P	96.1	Very high	96.4	Very high	34 Å²	34	41.2 Å²	41.2	22%	0.221	21%	0.206	C	C	.	.			trans	-77.9	175.1	-168.8	33.7	-38.8	0	0	0	113.1	F47 V98 W106 S107 P145	F47-P100 HydrophobicContact CD2-CG 3.51Å; F47-P100 HydrophobicContact CE2-CG 3.48Å; F47-P100 VanDerWaalsContact CE2-CG 3.48Å; V98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-W106 HydrophobicContact CB-CH2 3.8Å; P100-W106 HydrophobicContact CB-CZ2 3.84Å; P100-W106 HydrophobicContact CG-CH2 3.43Å; P100-W106 VanDerWaalsContact CG-CH2 3.43Å; P100-W106 HydrophobicContact CG-CZ2 3.99Å; P100-W106 HydrophobicContact CG-CZ3 4.33Å; P100-S107 VanDerWaalsContact O-CB 3.27Å; P100-S107 WeakPolarHBondContact O-CB 3.44Å; P100-S107 PolarHBondContact O-OG 2.98Å; P100-P145 VanDerWaalsContact O-CG 3.31Å; P100-P145 WeakPolarHBondContact O-CG 3.39Å
101	G	96.6	Very high	96.2	Very high	7 Å²	7	37 Å²	37	7%	0.072	19%	0.19	C	C	.	.			trans	78.6	33	176.7	0	0	0	0	0	113.4	G103 E104 P145	G101-G103 PolarHBondContact O-N 3.16Å; G101-E104 PolarHBondContact O-N 3.11Å; G101-P145 WeakPolarHBondContact O-CD 3.27Å; G101-P145 WeakPolarHBondContact O-CG 3.33Å
102	W	98.3	Very high	95.8	Very high	67 Å²	67	36.7 Å²	36.7	25%	0.254	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	121.1	173.4	-178.8	-93.4	0	0	0	110.7	E104 A144 P145 L158 K161 L162 L165	W102-E104 PolarHBondContact O-N 3.17Å; W102-A144 HydrophobicContact CH2-CB 3.99Å; W102-A144 HydrophobicContact CZ3-CB 4.06Å; W102-P145 VanDerWaalsContact CZ3-O 3.26Å; W102-P145 WeakPolarHBondContact CZ3-O 3.48Å; W102-L158 HydrophobicContact CH2-CD1 3.59Å; W102-L158 HydrophobicContact CZ3-CD1 3.59Å; W102-K161 HydrophobicContact CH2-CB 4.04Å; W102-K161 VanDerWaalsContact CZ2-C 3.42Å; W102-K161 HydrophobicContact CZ2-CB 3.52Å; W102-K161 WeakPolarHBondContact CZ2-O 3.39Å; W102-L162 HydrophobicContact CH2-CB 4.24Å; W102-L165 HydrophobicContact CZ2-CB 4.15Å; W102-L165 HydrophobicContact CZ2-CD2 3.98Å
103	G	98.6	Very high	95.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-9.7	-173.4	0	0	0	0	0	113.6	G101 R142 G143	G101-G103 PolarHBondContact O-N 3.16Å; G103-R142 WeakPolarHBondContact O-CD 2.92Å; G103-R142 PolarHBondContact O-NE 3.29Å; G103-G143 WeakPolarHBondContact CA-O 3.37Å; G103-G143 PolarHBondContact N-O 3.08Å
104	E	98.3	Very high	94.7	Very high	74 Å²	74	39.9 Å²	39.9	35%	0.346	21%	0.206	S	C	.	.			trans	-97.2	164.5	177.9	-55.8	-176.1	-138.6	0	0	111.4	G101 W102 W106 N138 G143	G101-E104 PolarHBondContact O-N 3.11Å; W102-E104 PolarHBondContact O-N 3.17Å; E104-W106 PolarHBondContact OE2-NE1 3.34Å; E104-N138 WeakPolarHBondContact CA-OD1 3.29Å; E104-N138 WeakPolarHBondContact CB-OD1 3.38Å; E104-N138 HydrophobicContact CG-CB 4.31Å; E104-G143 WeakPolarHBondContact O-CA 2.85Å; E104-G143 PolarHBondContact O-N 3.5Å; E104-G143 VanDerWaalsContact O-N 3.12Å
105	T	97.8	Very high	94.2	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	22%	0.218	C	C	.	.	S	Bend	trans	-98.8	-26	-179.5	59.5	0	0	0	0	113.8	M37 S107 I108 E109 R130 S137 N138 M141	M37-T105 HydrophobicContact CE-CG2 3.77Å; T105-S107 VanDerWaalsContact C-N 3.32Å; T105-S107 PolarHBondContact O-N 3.01Å; T105-I108 CarbonylContact O-C 3.56Å; T105-I108 WeakPolarHBondContact O-CG1 3.14Å; T105-I108 PolarHBondContact O-N 2.86Å; T105-E109 VanDerWaalsContact CB-OE1 3.23Å; T105-E109 WeakPolarHBondContact CB-OE1 3.27Å; T105-E109 WeakPolarHBondContact O-CG 3.48Å; T105-E109 PolarHBondContact O-N 2.93Å; T105-E109 PolarHBondContact OG1-OE1 2.58Å; T105-R130 PolarHBondContact OG1-NH2 3.26Å; T105-S137 WeakPolarHBondContact OG1-CB 3.22Å; T105-S137 PolarHBondContact OG1-OG 2.99Å; T105-N138 PolarHBondContact N-OD1 3.01Å; T105-M141 HydrophobicContact CG2-CG 4.09Å; T105-M141 WeakPolarHBondContact CG2-O 3.4Å
106	W	96.1	Very high	93.6	Very high	93 Å²	93	44.6 Å²	44.6	35%	0.352	23%	0.229	S	C	.	.	H	α-helix	trans	-59.3	-37.8	-167.9	65.3	-95.7	0	0	0	114	Q45 F47 P100 E104 I108 E109	Q45-W106 HydrophobicContact CG-CZ3 4.5Å; F47-W106 HydrophobicContact CE2-CH2 4.27Å; F47-W106 HydrophobicContact CE2-CZ3 4.41Å; P100-W106 HydrophobicContact CB-CH2 3.8Å; P100-W106 HydrophobicContact CB-CZ2 3.84Å; P100-W106 HydrophobicContact CG-CH2 3.43Å; P100-W106 VanDerWaalsContact CG-CH2 3.43Å; P100-W106 HydrophobicContact CG-CZ2 3.99Å; P100-W106 HydrophobicContact CG-CZ3 4.33Å; E104-W106 PolarHBondContact OE2-NE1 3.34Å; W106-I108 PolarHBondContact O-N 2.93Å; W106-E109 PolarHBondContact N-OE1 2.97Å; W106-E109 PolarHBondContact O-N 2.91Å
107	S	96.3	Very high	92.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-72.7	-14.2	-176.6	66.7	0	0	0	0	113.2	C44 Q45 P100 T105	C44-S107 CarbonylContact C-O 3.33Å; C44-S107 WeakPolarHBondContact CA-O 3.35Å; Q45-S107 PolarHBondContact N-O 2.93Å; P100-S107 VanDerWaalsContact O-CB 3.27Å; P100-S107 WeakPolarHBondContact O-CB 3.44Å; P100-S107 PolarHBondContact O-OG 2.98Å; T105-S107 VanDerWaalsContact C-N 3.32Å; T105-S107 PolarHBondContact O-N 3.01Å
108	I	97.5	Very high	91.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-112.9	-8.5	175.3	66.3	166.4	0	0	0	112.6	M37 P39 C44 T105 W106 Y121 F122 P145	M37-I108 HydrophobicContact CB-CD1 3.66Å; M37-I108 HydrophobicContact CE-CD1 4.1Å; M37-I108 HydrophobicContact SD-CD1 4.27Å; P39-I108 HydrophobicContact CB-CG2 4.12Å; P39-I108 HydrophobicContact CG-CG2 3.98Å; C44-I108 HydrophobicContact CB-CG2 3.75Å; T105-I108 CarbonylContact O-C 3.56Å; T105-I108 WeakPolarHBondContact O-CG1 3.14Å; T105-I108 PolarHBondContact O-N 2.86Å; W106-I108 PolarHBondContact O-N 2.93Å; I108-Y121 HydrophobicContact CB-CD1 4.4Å; I108-Y121 WeakPolarHBondContact O-CB 3.26Å; I108-Y121 VanDerWaalsContact O-CD1 3.25Å; I108-Y121 WeakPolarHBondContact O-CD1 3.34Å; I108-F122 HydrophobicContact CB-CD2 4.11Å; I108-F122 HydrophobicContact CD1-CD2 3.82Å; I108-F122 HydrophobicContact CD1-CE2 4.34Å; I108-F122 HydrophobicContact CD1-CG 4.34Å; I108-F122 HydrophobicContact CG1-CB 4.48Å; I108-F122 HydrophobicContact CG1-CD2 4.23Å; I108-F122 WeakPolarHBondContact O-CB 3.31Å; I108-F122 PolarHBondContact O-N 2.91Å; I108-P145 HydrophobicContact CG2-CB 4.28Å
109	E	96.5	Very high	91.5	Very high	22 Å²	22	49.7 Å²	49.7	10%	0.103	25%	0.246	C	C	.	.	H	α-helix	trans	-70.4	-47.5	173.7	-79.2	174.7	-117.1	0	0	110.9	T105 W106 Y121 G123 V126 R130	T105-E109 VanDerWaalsContact CB-OE1 3.23Å; T105-E109 WeakPolarHBondContact CB-OE1 3.27Å; T105-E109 WeakPolarHBondContact O-CG 3.48Å; T105-E109 PolarHBondContact O-N 2.93Å; T105-E109 PolarHBondContact OG1-OE1 2.58Å; W106-E109 PolarHBondContact N-OE1 2.97Å; W106-E109 PolarHBondContact O-N 2.91Å; E109-Y121 PolarHBondContact O-N 2.88Å; E109-Y121 VanDerWaalsContact O-N 3.07Å; E109-G123 WeakPolarHBondContact O-CA 3.45Å; E109-G123 PolarHBondContact O-N 3.05Å; E109-V126 VanDerWaalsContact CD-CG1 3.44Å; E109-V126 HydrophobicContact CG-CB 3.92Å; E109-V126 HydrophobicContact CG-CG1 3.85Å; E109-V126 HydrophobicContact CG-CG2 3.92Å; E109-R130 IonicContact OE1-CZ 3.33Å; E109-R130 IonicContact OE1-NH1 3.78Å; E109-R130 IonicContact OE1-NH2 3.07Å; E109-R130 PolarHBondContact OE1-NH2 2.98Å; E109-R130 IonicContact OE2-CZ 2.77Å; E109-R130 IonicContact OE2-NH1 3.41Å; E109-R130 PolarHBondContact OE2-NH1 2.58Å; E109-R130 IonicContact OE2-NH2 2.71Å; E109-R130 PolarHBondContact OE2-NH2 3.12Å
110	N	94.3	Very high	91.3	Very high	38 Å²	38	53 Å²	53	20%	0.203	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-136.5	133.5	175.7	-69.4	-73.9	0	0	0	110	Q45 D112 P115 S119	Q45-N110 WeakPolarHBondContact CG-O 3.1Å; Q45-N110 PolarHBondContact NE2-O 3.34Å; N110-D112 VanDerWaalsContact C-N 3.35Å; N110-P115 HydrophobicContact CB-CB 4.49Å; N110-P115 HydrophobicContact CB-CG 4.28Å; N110-S119 CarbonylContact C-O 3.49Å; N110-S119 WeakPolarHBondContact CA-O 3.35Å
111	L	92.7	Very high	91.2	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.079	25%	0.251	C	S	.	.	S	Bend	trans	-79.8	-17.8	-177.8	-54.1	179.1	0	0	0	112.8	A42 Q45 W62 L63 S119 Y121	A42-L111 WeakPolarHBondContact O-CD1 3.2Å; Q45-L111 WeakPolarHBondContact CG-O 3.45Å; W62-L111 CarbonylContact C-O 3.58Å; L63-L111 HydrophobicContact CB-CB 4.01Å; L63-L111 WeakPolarHBondContact CB-O 3.21Å; L63-L111 PolarHBondContact N-O 3.39Å; L111-S119 WeakPolarHBondContact CG-O 3.37Å; L111-S119 PolarHBondContact N-O 3.35Å; L111-Y121 HydrophobicContact CD2-CD1 4.21Å; L111-Y121 HydrophobicContact CD2-CG 4.2Å
112	D	88.8	Confident	91.3	Very high	25 Å²	25	51.3 Å²	51.3	13%	0.134	25%	0.248	C	C	.	.	S	Bend	trans	-109.1	144.3	177.6	-165.6	-36.2	0	0	0	108.6	L63 N110 T114 N116 S119	L63-D112 HydrophobicContact CB-CB 4.4Å; N110-D112 VanDerWaalsContact C-N 3.35Å; D112-T114 PolarHBondContact O-N 3.5Å; D112-T114 PolarHBondContact OD1-N 2.89Å; D112-N116 PolarHBondContact OD2-ND2 2.88Å; D112-S119 VanDerWaalsContact CB-CB 3.44Å
113	K	81.7	Confident	91.2	Very high	154 Å²	154	48.5 Å²	48.5	67%	0.67	24%	0.24	S	C	*	.	S	Bend	trans	-60.1	-30.7	172	-172.6	177.9	179.6	-179.5	0	111.2	P115	K113-P115 WeakPolarHBondContact O-CD 3.46Å
114	T	83.9	Confident	91	Very high	103 Å²	103	49 Å²	49	63%	0.632	24%	0.243	S	C	*	.	S	Bend	trans	-109.2	98.9	172.4	-49.6	0	0	0	0	108.9	D112 N116	D112-T114 PolarHBondContact O-N 3.5Å; D112-T114 PolarHBondContact OD1-N 2.89Å; T114-N116 PolarHBondContact O-N 3.29Å; T114-N116 PolarHBondContact O-ND2 2.93Å
115	P	83.2	Confident	91	Very high	84 Å²	84	45.4 Å²	45.4	55%	0.545	23%	0.226	S	C	.	.			trans	-52.9	131	-176.1	-28.4	35.3	0	0	0	112.7	N110 K113 S119	N110-P115 HydrophobicContact CB-CB 4.49Å; N110-P115 HydrophobicContact CB-CG 4.28Å; K113-P115 WeakPolarHBondContact O-CD 3.46Å; P115-S119 WeakPolarHBondContact CA-OG 3.12Å
116	N	83.3	Confident	90.9	Very high	48 Å²	48	45.3 Å²	45.3	26%	0.257	23%	0.226	S	C	.	.			trans	-142.3	175.9	176.9	63.3	69.4	0	0	0	110.3	D112 T114 F118 S119	D112-N116 PolarHBondContact OD2-ND2 2.88Å; T114-N116 PolarHBondContact O-N 3.29Å; T114-N116 PolarHBondContact O-ND2 2.93Å; N116-F118 PolarHBondContact O-N 2.79Å; N116-F118 VanDerWaalsContact O-N 3.12Å; N116-F118 WeakPolarHBondContact OD1-CA 3.45Å; N116-F118 WeakPolarHBondContact OD1-CB 3.38Å; N116-F118 PolarHBondContact OD1-N 3.4Å; N116-S119 PolarHBondContact N-OG 2.91Å; N116-S119 PolarHBondContact O-N 3.45Å; N116-S119 VanDerWaalsContact O-N 3.09Å; N116-S119 PolarHBondContact O-OG 3.36Å; N116-S119 VanDerWaalsContact O-OG 3.04Å; N116-S119 PolarHBondContact OD1-N 2.93Å
117	M	78.5	Confident	91	Very high	135 Å²	135	48.2 Å²	48.2	67%	0.665	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.1	-175.4	68.1	-177.1	-67.6	0	0	114.6
118	F	78.7	Confident	91	Very high	109 Å²	109	49.5 Å²	49.5	48%	0.478	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-13.4	178.7	-54.6	-75.2	0	0	0	112.8	N116	N116-F118 PolarHBondContact O-N 2.79Å; N116-F118 VanDerWaalsContact O-N 3.12Å; N116-F118 WeakPolarHBondContact OD1-CA 3.45Å; N116-F118 WeakPolarHBondContact OD1-CB 3.38Å; N116-F118 PolarHBondContact OD1-N 3.4Å
119	S	87.8	Confident	91	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-13.6	-174.2	74.2	0	0	0	0	114	N110 L111 D112 P115 N116 Y121	N110-S119 CarbonylContact C-O 3.49Å; N110-S119 WeakPolarHBondContact CA-O 3.35Å; L111-S119 WeakPolarHBondContact CG-O 3.37Å; L111-S119 PolarHBondContact N-O 3.35Å; D112-S119 VanDerWaalsContact CB-CB 3.44Å; P115-S119 WeakPolarHBondContact CA-OG 3.12Å; N116-S119 PolarHBondContact N-OG 2.91Å; N116-S119 PolarHBondContact O-N 3.45Å; N116-S119 VanDerWaalsContact O-N 3.09Å; N116-S119 PolarHBondContact O-OG 3.36Å; N116-S119 VanDerWaalsContact O-OG 3.04Å; N116-S119 PolarHBondContact OD1-N 2.93Å; S119-Y121 PolarHBondContact O-N 2.98Å
120	K	91.5	Very high	91	Very high	102 Å²	102	53.7 Å²	53.7	44%	0.443	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-67.8	127.9	-176.2	-161.7	-179.1	-158.1	-171	0	110.2	S124	K120-S124 WeakPolarHBondContact CD-OG 3.4Å; K120-S124 WeakPolarHBondContact CE-OG 3.43Å; K120-S124 PolarHBondContact NZ-OG 3.21Å
121	Y	96	Very high	91.1	Very high	5 Å²	5	57 Å²	57	2%	0.02	27%	0.273	C	S	.	.	S	Bend	trans	-128.5	-104.5	-178.6	-168.5	-122.2	0	0	0	110.5	P39 G40 G43 I108 E109 L111 S119 G123 H183 V383 L386	P39-Y121 HydrophobicContact CB-CE1 3.74Å; G40-Y121 PolarHBondContact N-OH 3.14Å; G43-Y121 WeakPolarHBondContact O-CD1 3.33Å; G43-Y121 WeakPolarHBondContact O-CE1 3.17Å; I108-Y121 HydrophobicContact CB-CD1 4.4Å; I108-Y121 WeakPolarHBondContact O-CB 3.26Å; I108-Y121 VanDerWaalsContact O-CD1 3.25Å; I108-Y121 WeakPolarHBondContact O-CD1 3.34Å; E109-Y121 PolarHBondContact O-N 2.88Å; E109-Y121 VanDerWaalsContact O-N 3.07Å; L111-Y121 HydrophobicContact CD2-CD1 4.21Å; L111-Y121 HydrophobicContact CD2-CG 4.2Å; S119-Y121 PolarHBondContact O-N 2.98Å; Y121-G123 PolarHBondContact O-N 2.61Å; Y121-H183 AromaticContact CE2-CE1 3.83Å; Y121-H183 AromaticContact CE2-ND1 3.5Å; Y121-H183 WeakPolarHBondContact CE2-ND1 3.44Å; Y121-H183 AromaticContact CZ-ND1 3.48Å; Y121-H183 PolarHBondContact OH-ND1 3.31Å; Y121-V383 HydrophobicContact CD2-CG1 3.87Å; Y121-V383 HydrophobicContact CE2-CG1 4.28Å; Y121-L386 HydrophobicContact CD1-CD1 4.46Å; Y121-L386 HydrophobicContact CD2-CD1 3.64Å; Y121-L386 HydrophobicContact CE1-CD1 4.24Å; Y121-L386 HydrophobicContact CE2-CD1 3.41Å; Y121-L386 VanDerWaalsContact CE2-CD1 3.41Å; Y121-L386 HydrophobicContact CG-CD1 4.15Å
122	F	97.5	Very high	91.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.3	174.8	-80	-76.4	0	0	0	114.2	M37 I108 S124 L125 V126 L181 H183 L386	M37-F122 HydrophobicContact CB-CD1 4.37Å; M37-F122 HydrophobicContact CB-CD2 4.39Å; M37-F122 HydrophobicContact CB-CE1 4.08Å; M37-F122 HydrophobicContact CB-CE2 4.09Å; M37-F122 HydrophobicContact CB-CZ 3.93Å; M37-F122 HydrophobicContact CG-CD1 3.96Å; M37-F122 HydrophobicContact CG-CE1 3.83Å; M37-F122 HydrophobicContact CG-CG 4.45Å; M37-F122 HydrophobicContact CG-CZ 4.21Å; M37-F122 HydrophobicContact SD-CB 4.02Å; M37-F122 HydrophobicContact SD-CD1 3.52Å; M37-F122 VanDerWaalsContact SD-CD1 3.52Å; M37-F122 HydrophobicContact SD-CD2 4.5Å; M37-F122 HydrophobicContact SD-CE1 4.05Å; M37-F122 HydrophobicContact SD-CG 3.78Å; I108-F122 HydrophobicContact CB-CD2 4.11Å; I108-F122 HydrophobicContact CD1-CD2 3.82Å; I108-F122 HydrophobicContact CD1-CE2 4.34Å; I108-F122 HydrophobicContact CD1-CG 4.34Å; I108-F122 HydrophobicContact CG1-CB 4.48Å; I108-F122 HydrophobicContact CG1-CD2 4.23Å; I108-F122 WeakPolarHBondContact O-CB 3.31Å; I108-F122 PolarHBondContact O-N 2.91Å; F122-S124 VanDerWaalsContact C-N 3.28Å; F122-S124 PolarHBondContact O-N 2.61Å; F122-S124 VanDerWaalsContact O-N 3.15Å; F122-L125 HydrophobicContact CD1-CD2 4.24Å; F122-L125 PolarHBondContact O-N 2.72Å; F122-L125 VanDerWaalsContact O-N 3.12Å; F122-V126 HydrophobicContact CB-CG2 4.32Å; F122-V126 WeakPolarHBondContact O-CG2 3.3Å; F122-V126 PolarHBondContact O-N 3.33Å; F122-L181 HydrophobicContact CE1-CD2 3.97Å; F122-L181 HydrophobicContact CE1-CG 4.17Å; F122-H183 HydrophobicContact CZ-CB 3.98Å; F122-L386 HydrophobicContact CD1-CD1 4.25Å; F122-L386 HydrophobicContact CD1-CD2 4.31Å; F122-L386 HydrophobicContact CD2-CD1 4.34Å; F122-L386 HydrophobicContact CE1-CD1 4.17Å; F122-L386 HydrophobicContact CE1-CD2 3.83Å; F122-L386 HydrophobicContact CE2-CD1 4.27Å; F122-L386 HydrophobicContact CG-CD1 4.34Å; F122-L386 HydrophobicContact CZ-CD1 4.19Å; F122-L386 HydrophobicContact CZ-CD2 4.3Å
123	G	95.8	Very high	91.6	Very high	8 Å²	8	61.5 Å²	61.5	8%	0.082	30%	0.304	C	S	.	.	H	α-helix	trans	-56.3	-35.3	-171.7	0	0	0	0	0	114.9	E109 Y121 Y127	E109-G123 WeakPolarHBondContact O-CA 3.45Å; E109-G123 PolarHBondContact O-N 3.05Å; Y121-G123 PolarHBondContact O-N 2.61Å; G123-Y127 WeakPolarHBondContact O-CB 3.47Å; G123-Y127 PolarHBondContact O-N 2.73Å
124	S	95.5	Very high	92.3	Very high	11 Å²	11	55.8 Å²	55.8	8%	0.077	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-49.9	176.5	-62	0	0	0	0	112.2	K120 F122 Y127 V128 S387	K120-S124 WeakPolarHBondContact CD-OG 3.4Å; K120-S124 WeakPolarHBondContact CE-OG 3.43Å; K120-S124 PolarHBondContact NZ-OG 3.21Å; F122-S124 VanDerWaalsContact C-N 3.28Å; F122-S124 PolarHBondContact O-N 2.61Å; F122-S124 VanDerWaalsContact O-N 3.15Å; S124-Y127 PolarHBondContact O-N 3.42Å; S124-V128 WeakPolarHBondContact O-CG2 3.49Å; S124-V128 PolarHBondContact O-N 2.91Å; S124-V128 VanDerWaalsContact O-N 3.12Å; S124-S387 WeakPolarHBondContact CB-OG 3.39Å; S124-S387 VanDerWaalsContact OG-CB 3.23Å; S124-S387 WeakPolarHBondContact OG-CB 3.44Å; S124-S387 PolarHBondContact OG-OG 3.22Å
125	L	97.1	Very high	93	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-47.3	179.7	175.1	62.9	0	0	0	110.9	L35 F122 Y127 V128 L129 L181 I392 I395	L35-L125 HydrophobicContact CD2-CD2 4.38Å; F122-L125 HydrophobicContact CD1-CD2 4.24Å; F122-L125 PolarHBondContact O-N 2.72Å; F122-L125 VanDerWaalsContact O-N 3.12Å; L125-Y127 VanDerWaalsContact C-N 3.33Å; L125-Y127 PolarHBondContact O-N 3.09Å; L125-V128 PolarHBondContact O-N 3.39Å; L125-L129 HydrophobicContact CD1-CD1 3.86Å; L125-L129 HydrophobicContact CD1-CG 4.09Å; L125-L129 HydrophobicContact CD2-CD1 4.43Å; L125-L129 HydrophobicContact CG-CD1 3.8Å; L125-L129 HydrophobicContact CG-CG 4.43Å; L125-L129 WeakPolarHBondContact O-CG 3.24Å; L125-L129 PolarHBondContact O-N 3.28Å; L125-L181 HydrophobicContact CD2-CD2 3.35Å; L125-I392 HydrophobicContact CD1-CG1 4.4Å; L125-I392 HydrophobicContact CD1-CG2 4.3Å; L125-I395 HydrophobicContact CD1-CB 4.18Å; L125-I395 HydrophobicContact CD1-CG2 3.88Å; L125-I395 HydrophobicContact CD2-CG2 4.12Å
126	V	97.4	Very high	93.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-43.3	179.1	168.1	0	0	0	0	111.3	M37 E109 F122 V128 L129 R130 M141	M37-V126 HydrophobicContact CE-CG2 3.86Å; M37-V126 HydrophobicContact SD-CG2 3.94Å; E109-V126 VanDerWaalsContact CD-CG1 3.44Å; E109-V126 HydrophobicContact CG-CB 3.92Å; E109-V126 HydrophobicContact CG-CG1 3.85Å; E109-V126 HydrophobicContact CG-CG2 3.92Å; F122-V126 HydrophobicContact CB-CG2 4.32Å; F122-V126 WeakPolarHBondContact O-CG2 3.3Å; F122-V126 PolarHBondContact O-N 3.33Å; V126-V128 VanDerWaalsContact C-N 3.34Å; V126-V128 PolarHBondContact O-N 2.8Å; V126-L129 PolarHBondContact O-N 2.74Å; V126-R130 WeakPolarHBondContact O-CG 3.32Å; V126-R130 PolarHBondContact O-N 3.07Å; V126-M141 HydrophobicContact CB-CE 4.28Å; V126-M141 HydrophobicContact CB-SD 4.37Å; V126-M141 HydrophobicContact CG1-CE 3.66Å; V126-M141 HydrophobicContact CG1-SD 4.36Å; V126-M141 HydrophobicContact CG2-CE 4.31Å; V126-M141 HydrophobicContact CG2-SD 3.95Å
127	Y	96.1	Very high	94.4	Very high	153 Å²	153	49.7 Å²	49.7	60%	0.6	24%	0.242	S	C	*	.	H	α-helix	trans	-59.4	-44.1	176.2	173.9	-98.7	0	0	0	112.3	G123 S124 L125	G123-Y127 WeakPolarHBondContact O-CB 3.47Å; G123-Y127 PolarHBondContact O-N 2.73Å; S124-Y127 PolarHBondContact O-N 3.42Å; L125-Y127 VanDerWaalsContact C-N 3.33Å; L125-Y127 PolarHBondContact O-N 3.09Å
128	V	96.9	Very high	95.4	Very high	28 Å²	28	46.3 Å²	46.3	17%	0.17	23%	0.226	C	C	.	.	H	α-helix	trans	-66.4	-49.3	178.4	172.9	0	0	0	0	110.3	S124 L125 V126 R130 K131 I392 L396 I403	S124-V128 WeakPolarHBondContact O-CG2 3.49Å; S124-V128 PolarHBondContact O-N 2.91Å; S124-V128 VanDerWaalsContact O-N 3.12Å; L125-V128 PolarHBondContact O-N 3.39Å; V126-V128 VanDerWaalsContact C-N 3.34Å; V126-V128 PolarHBondContact O-N 2.8Å; V128-R130 VanDerWaalsContact C-N 3.31Å; V128-R130 PolarHBondContact O-N 3.29Å; V128-K131 VanDerWaalsContact O-CB 3.28Å; V128-K131 WeakPolarHBondContact O-CB 3.42Å; V128-K131 WeakPolarHBondContact O-CG 3.49Å; V128-K131 PolarHBondContact O-N 2.85Å; V128-I392 HydrophobicContact CB-CG2 4.29Å; V128-I392 HydrophobicContact CG1-CG2 4Å; V128-I392 HydrophobicContact CG2-CG2 4.38Å; V128-L396 HydrophobicContact CG1-CD1 3.89Å; V128-L396 HydrophobicContact CG1-CD2 4.24Å; V128-I403 HydrophobicContact CG1-CD1 3.49Å; V128-I403 VanDerWaalsContact CG1-CD1 3.49Å; V128-I403 VanDerWaalsContact O-CD1 3.23Å; V128-I403 WeakPolarHBondContact O-CD1 3.11Å
129	L	97.6	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.6	-39	-179	-76.9	170.4	0	0	0	113.6	L35 L125 V126 K131 D132 Y135 M141 L396 L399 A401	L35-L129 HydrophobicContact CD2-CD1 3.53Å; L125-L129 HydrophobicContact CD1-CD1 3.86Å; L125-L129 HydrophobicContact CD1-CG 4.09Å; L125-L129 HydrophobicContact CD2-CD1 4.43Å; L125-L129 HydrophobicContact CG-CD1 3.8Å; L125-L129 HydrophobicContact CG-CG 4.43Å; L125-L129 WeakPolarHBondContact O-CG 3.24Å; L125-L129 PolarHBondContact O-N 3.28Å; V126-L129 PolarHBondContact O-N 2.74Å; L129-K131 PolarHBondContact O-N 2.76Å; L129-D132 PolarHBondContact O-N 2.83Å; L129-Y135 HydrophobicContact CB-CD1 4.46Å; L129-Y135 HydrophobicContact CB-CD2 4.28Å; L129-Y135 HydrophobicContact CB-CG 3.99Å; L129-Y135 HydrophobicContact CD2-CD1 4.03Å; L129-Y135 HydrophobicContact CD2-CD2 3.88Å; L129-Y135 HydrophobicContact CD2-CE1 3.95Å; L129-Y135 HydrophobicContact CD2-CE2 3.81Å; L129-Y135 HydrophobicContact CD2-CG 4Å; L129-Y135 WeakPolarHBondContact O-CB 3.43Å; L129-Y135 WeakPolarHBondContact O-CD2 3.48Å; L129-M141 HydrophobicContact CB-CE 4.38Å; L129-M141 HydrophobicContact CB-SD 3.94Å; L129-M141 HydrophobicContact CD1-SD 3.58Å; L129-M141 VanDerWaalsContact CD1-SD 3.58Å; L129-M141 HydrophobicContact CG-SD 4.42Å; L129-L396 HydrophobicContact CD2-CD2 3.47Å; L129-L396 VanDerWaalsContact CD2-CD2 3.47Å; L129-L396 HydrophobicContact CG-CD2 4.16Å; L129-L399 HydrophobicContact CD1-CD1 4.08Å; L129-L399 HydrophobicContact CD2-CD1 3.68Å; L129-A401 HydrophobicContact CD2-CB 4.2Å
130	R	96.8	Very high	96.8	Very high	109 Å²	109	45.7 Å²	45.7	41%	0.411	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.3	177.3	-77.2	174.2	179.4	145.9	-1.4	114.4	T105 E109 V126 V128 D132 S137 M141	T105-R130 PolarHBondContact OG1-NH2 3.26Å; E109-R130 IonicContact OE1-CZ 3.33Å; E109-R130 IonicContact OE1-NH1 3.78Å; E109-R130 IonicContact OE1-NH2 3.07Å; E109-R130 PolarHBondContact OE1-NH2 2.98Å; E109-R130 IonicContact OE2-CZ 2.77Å; E109-R130 IonicContact OE2-NH1 3.41Å; E109-R130 PolarHBondContact OE2-NH1 2.58Å; E109-R130 IonicContact OE2-NH2 2.71Å; E109-R130 PolarHBondContact OE2-NH2 3.12Å; V126-R130 WeakPolarHBondContact O-CG 3.32Å; V126-R130 PolarHBondContact O-N 3.07Å; V128-R130 VanDerWaalsContact C-N 3.31Å; V128-R130 PolarHBondContact O-N 3.29Å; R130-D132 VanDerWaalsContact C-N 3.3Å; R130-S137 VanDerWaalsContact CZ-OG 3.28Å; R130-S137 PolarHBondContact NE-OG 2.81Å; R130-S137 PolarHBondContact NH2-OG 2.65Å; R130-M141 HydrophobicContact CG-CE 4.08Å
131	K	96.4	Very high	97.2	Very high	109 Å²	109	40.8 Å²	40.8	47%	0.474	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.7	173	-64	-175	173.9	-169.1	0	112.9	V128 L129 I403	V128-K131 VanDerWaalsContact O-CB 3.28Å; V128-K131 WeakPolarHBondContact O-CB 3.42Å; V128-K131 WeakPolarHBondContact O-CG 3.49Å; V128-K131 PolarHBondContact O-N 2.85Å; L129-K131 PolarHBondContact O-N 2.76Å; K131-I403 HydrophobicContact CB-CG2 4.25Å; K131-I403 HydrophobicContact CD-CG2 4.26Å
132	D	95.7	Very high	97.3	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.064	21%	0.206	C	C	.	.	S	Bend	trans	-91	121.9	171	172.7	-15.5	0	0	0	108.6	L129 R130 F134 Y135 N402 I403	L129-D132 PolarHBondContact O-N 2.83Å; R130-D132 VanDerWaalsContact C-N 3.3Å; D132-F134 PolarHBondContact O-N 3.2Å; D132-F134 WeakPolarHBondContact OD1-CB 3.13Å; D132-F134 PolarHBondContact OD1-N 2.95Å; D132-Y135 HydrophobicContact CB-CD2 3.76Å; D132-Y135 HydrophobicContact CB-CE2 4.03Å; D132-Y135 PolarHBondContact O-N 3.18Å; D132-Y135 WeakPolarHBondContact OD2-CE2 3.45Å; D132-N402 PolarHBondContact OD2-N 3.02Å; D132-I403 HydrophobicContact CB-CG1 4.12Å
133	P	96	Very high	97.4	Very high	121 Å²	121	41.5 Å²	41.5	79%	0.786	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-18.4	-177.2	-26.2	34.2	0	0	0	115.4
134	F	97.1	Very high	97.5	Very high	35 Å²	35	41.2 Å²	41.2	15%	0.154	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-32.2	175.2	176	-99.1	0	0	0	112.9	P32 P34 D132 V136 T140 A173	P32-F134 HydrophobicContact CB-CB 4.27Å; P32-F134 HydrophobicContact CB-CD1 3.5Å; P32-F134 HydrophobicContact CB-CE1 3.91Å; P32-F134 HydrophobicContact CB-CG 3.87Å; P32-F134 HydrophobicContact CG-CB 3.53Å; P32-F134 HydrophobicContact CG-CD1 3.47Å; P32-F134 VanDerWaalsContact CG-CD1 3.47Å; P32-F134 HydrophobicContact CG-CD2 3.72Å; P32-F134 HydrophobicContact CG-CE1 4.05Å; P32-F134 HydrophobicContact CG-CE2 4.28Å; P32-F134 HydrophobicContact CG-CG 3.26Å; P32-F134 HydrophobicContact CG-CZ 4.41Å; P34-F134 HydrophobicContact CB-CE1 4.43Å; P34-F134 HydrophobicContact CB-CZ 4.31Å; D132-F134 PolarHBondContact O-N 3.2Å; D132-F134 WeakPolarHBondContact OD1-CB 3.13Å; D132-F134 PolarHBondContact OD1-N 2.95Å; F134-V136 PolarHBondContact O-N 3.43Å; F134-T140 HydrophobicContact CE1-CG2 4.45Å; F134-T140 HydrophobicContact CE2-CG2 4.12Å; F134-T140 HydrophobicContact CZ-CG2 4.06Å; F134-T140 WeakPolarHBondContact O-CB 3.34Å; F134-T140 PolarHBondContact O-OG1 2.89Å; F134-A173 HydrophobicContact CE2-CB 4.4Å; F134-A173 HydrophobicContact CZ-CB 4Å
135	Y	98.2	Very high	97.6	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.02	20%	0.2	C	C	.	.			trans	-90.1	92.8	-175.4	-59.9	-82.8	0	0	0	111.5	P32 Y33 L129 D132 T140 L399 A401	P32-Y135 HydrophobicContact CB-CE2 4.21Å; P32-Y135 WeakPolarHBondContact CB-OH 3.38Å; Y33-Y135 WeakPolarHBondContact O-CE1 3.39Å; Y33-Y135 PolarHBondContact O-OH 2.89Å; L129-Y135 HydrophobicContact CB-CD1 4.46Å; L129-Y135 HydrophobicContact CB-CD2 4.28Å; L129-Y135 HydrophobicContact CB-CG 3.99Å; L129-Y135 HydrophobicContact CD2-CD1 4.03Å; L129-Y135 HydrophobicContact CD2-CD2 3.88Å; L129-Y135 HydrophobicContact CD2-CE1 3.95Å; L129-Y135 HydrophobicContact CD2-CE2 3.81Å; L129-Y135 HydrophobicContact CD2-CG 4Å; L129-Y135 WeakPolarHBondContact O-CB 3.43Å; L129-Y135 WeakPolarHBondContact O-CD2 3.48Å; D132-Y135 HydrophobicContact CB-CD2 3.76Å; D132-Y135 HydrophobicContact CB-CE2 4.03Å; D132-Y135 PolarHBondContact O-N 3.18Å; D132-Y135 WeakPolarHBondContact OD2-CE2 3.45Å; Y135-T140 WeakPolarHBondContact CA-OG1 3.26Å; Y135-L399 HydrophobicContact CE1-CD1 4.22Å; Y135-L399 HydrophobicContact CE1-CD2 4.47Å; Y135-L399 VanDerWaalsContact OH-CB 3.31Å; Y135-L399 WeakPolarHBondContact OH-CB 3.42Å; Y135-L399 PolarHBondContact OH-O 2.97Å; Y135-A401 HydrophobicContact CE2-CB 3.55Å
136	V	98.3	Very high	97.7	Very high	77 Å²	77	41.2 Å²	41.2	47%	0.467	20%	0.201	S	C	.	.			trans	-100.5	119.5	174	-178	0	0	0	0	107.9	F134 F139 T140 M141	F134-V136 PolarHBondContact O-N 3.43Å; V136-F139 HydrophobicContact CB-CB 4.06Å; V136-F139 HydrophobicContact CG1-CB 3.99Å; V136-F139 PolarHBondContact O-N 2.85Å; V136-F139 VanDerWaalsContact O-N 3.12Å; V136-T140 PolarHBondContact N-OG1 2.9Å; V136-T140 PolarHBondContact O-N 3.2Å; V136-T140 VanDerWaalsContact O-N 3.08Å; V136-T140 PolarHBondContact O-OG1 2.88Å; V136-M141 PolarHBondContact O-N 2.52Å; V136-M141 VanDerWaalsContact O-N 3.16Å
137	S	98.2	Very high	97.7	Very high	24 Å²	24	42 Å²	42	17%	0.168	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-53.6	142.7	173.6	-78.7	0	0	0	0	111	T105 R130 F139 M141	T105-S137 WeakPolarHBondContact OG1-CB 3.22Å; T105-S137 PolarHBondContact OG1-OG 2.99Å; R130-S137 VanDerWaalsContact CZ-OG 3.28Å; R130-S137 PolarHBondContact NE-OG 2.81Å; R130-S137 PolarHBondContact NH2-OG 2.65Å; S137-F139 PolarHBondContact O-N 3.5Å; S137-F139 VanDerWaalsContact O-N 3.15Å; S137-M141 CarbonylContact C-O 3.55Å
138	N	98.1	Very high	97.8	Very high	64 Å²	64	34.9 Å²	34.9	34%	0.342	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	4.7	179.7	-43.6	-9	0	0	0	113.1	E104 T105 M141 R142	E104-N138 WeakPolarHBondContact CA-OD1 3.29Å; E104-N138 WeakPolarHBondContact CB-OD1 3.38Å; E104-N138 HydrophobicContact CG-CB 4.31Å; T105-N138 PolarHBondContact N-OD1 3.01Å; N138-M141 PolarHBondContact N-O 2.82Å; N138-R142 VanDerWaalsContact O-CD 3.26Å; N138-R142 WeakPolarHBondContact O-CD 3.23Å; N138-R142 VanDerWaalsContact O-CZ 3.25Å; N138-R142 PolarHBondContact O-NE 2.63Å; N138-R142 PolarHBondContact O-NH1 3.09Å
139	F	98.6	Very high	97.9	Very high	91 Å²	91	33.5 Å²	33.5	40%	0.399	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-75.4	-177.9	-166.3	-110.8	0	0	0	112.7	V136 S137 N172	V136-F139 HydrophobicContact CB-CB 4.06Å; V136-F139 HydrophobicContact CG1-CB 3.99Å; V136-F139 PolarHBondContact O-N 2.85Å; V136-F139 VanDerWaalsContact O-N 3.12Å; S137-F139 PolarHBondContact O-N 3.5Å; S137-F139 VanDerWaalsContact O-N 3.15Å; F139-N172 HydrophobicContact CD1-CB 4.15Å; F139-N172 HydrophobicContact CD2-CB 4Å; F139-N172 HydrophobicContact CE1-CB 3.82Å; F139-N172 WeakPolarHBondContact CE1-O 3.42Å; F139-N172 HydrophobicContact CE2-CB 3.68Å; F139-N172 WeakPolarHBondContact CE2-OD1 3.46Å; F139-N172 HydrophobicContact CG-CB 4.22Å; F139-N172 HydrophobicContact CZ-CB 3.57Å; F139-N172 PolarHBondContact O-ND2 2.79Å
140	T	98.5	Very high	97.9	Very high	5 Å²	5	35 Å²	35	3%	0.031	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-12.1	174.4	48.8	0	0	0	0	112.7	P34 L35 F134 Y135 V136 A173	P34-T140 CarbonylContact C-O 3.59Å; P34-T140 VanDerWaalsContact CA-O 3.3Å; P34-T140 WeakPolarHBondContact CA-O 3.33Å; P34-T140 WeakPolarHBondContact CB-O 3.32Å; L35-T140 PolarHBondContact N-O 2.91Å; F134-T140 HydrophobicContact CE1-CG2 4.45Å; F134-T140 HydrophobicContact CE2-CG2 4.12Å; F134-T140 HydrophobicContact CZ-CG2 4.06Å; F134-T140 WeakPolarHBondContact O-CB 3.34Å; F134-T140 PolarHBondContact O-OG1 2.89Å; Y135-T140 WeakPolarHBondContact CA-OG1 3.26Å; V136-T140 PolarHBondContact N-OG1 2.9Å; V136-T140 PolarHBondContact O-N 3.2Å; V136-T140 VanDerWaalsContact O-N 3.08Å; V136-T140 PolarHBondContact O-OG1 2.88Å; T140-A173 HydrophobicContact CG2-CB 4.24Å
141	M	98.5	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.9	172.5	-178.5	171.4	53.4	0	0	109.1	L35 M37 T105 V126 L129 R130 V136 S137 N138	L35-M141 HydrophobicContact CB-CG 4.48Å; L35-M141 HydrophobicContact CD2-CG 4.23Å; L35-M141 HydrophobicContact CD2-SD 4.33Å; L35-M141 WeakPolarHBondContact O-CA 3.28Å; M37-M141 HydrophobicContact CE-CG 3.58Å; M37-M141 HydrophobicContact CE-SD 4.15Å; T105-M141 HydrophobicContact CG2-CG 4.09Å; T105-M141 WeakPolarHBondContact CG2-O 3.4Å; V126-M141 HydrophobicContact CB-CE 4.28Å; V126-M141 HydrophobicContact CB-SD 4.37Å; V126-M141 HydrophobicContact CG1-CE 3.66Å; V126-M141 HydrophobicContact CG1-SD 4.36Å; V126-M141 HydrophobicContact CG2-CE 4.31Å; V126-M141 HydrophobicContact CG2-SD 3.95Å; L129-M141 HydrophobicContact CB-CE 4.38Å; L129-M141 HydrophobicContact CB-SD 3.94Å; L129-M141 HydrophobicContact CD1-SD 3.58Å; L129-M141 VanDerWaalsContact CD1-SD 3.58Å; L129-M141 HydrophobicContact CG-SD 4.42Å; R130-M141 HydrophobicContact CG-CE 4.08Å; V136-M141 PolarHBondContact O-N 2.52Å; V136-M141 VanDerWaalsContact O-N 3.16Å; S137-M141 CarbonylContact C-O 3.55Å; N138-M141 PolarHBondContact N-O 2.82Å
142	R	98.9	Very high	98	Very high	20 Å²	20	24.7 Å²	24.7	8%	0.075	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.6	-172.7	-51.1	-67.5	-78.4	-106.9	-13.7	111.8	L35 V36 M37 G103 N138 L165 E168 T169 N172	L35-R142 PolarHBondContact O-N 3.12Å; V36-R142 WeakPolarHBondContact CA-O 3.36Å; V36-R142 HydrophobicContact CG2-CB 4.24Å; M37-R142 PolarHBondContact N-O 3.13Å; G103-R142 WeakPolarHBondContact O-CD 2.92Å; G103-R142 PolarHBondContact O-NE 3.29Å; N138-R142 VanDerWaalsContact O-CD 3.26Å; N138-R142 WeakPolarHBondContact O-CD 3.23Å; N138-R142 VanDerWaalsContact O-CZ 3.25Å; N138-R142 PolarHBondContact O-NE 2.63Å; N138-R142 PolarHBondContact O-NH1 3.09Å; R142-L165 HydrophobicContact CB-CD1 4.11Å; R142-L165 HydrophobicContact CB-CD2 4.34Å; R142-L165 HydrophobicContact CB-CG 4.39Å; R142-L165 HydrophobicContact CG-CD1 4.11Å; R142-L165 VanDerWaalsContact NH2-CD1 3.29Å; R142-E168 IonicContact CZ-OE1 2.9Å; R142-E168 IonicContact CZ-OE2 2.77Å; R142-E168 IonicContact NH1-OE1 3.31Å; R142-E168 PolarHBondContact NH1-OE1 3.13Å; R142-E168 IonicContact NH1-OE2 2.72Å; R142-E168 IonicContact NH2-OE1 3.78Å; R142-E168 PolarHBondContact NH2-OE1 2.87Å; R142-E168 IonicContact NH2-OE2 3.72Å; R142-E168 PolarHBondContact NH2-OE2 3.39Å; R142-T169 HydrophobicContact CG-CG2 4.27Å; R142-T169 VanDerWaalsContact CG-OG1 3.28Å; R142-T169 WeakPolarHBondContact CG-OG1 3.34Å; R142-N172 PolarHBondContact NH1-ND2 2.91Å
143	G	98.7	Very high	98	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	147.1	166.8	0	0	0	0	0	111.7	G103 E104 P145	G103-G143 WeakPolarHBondContact CA-O 3.37Å; G103-G143 PolarHBondContact N-O 3.08Å; E104-G143 WeakPolarHBondContact O-CA 2.85Å; E104-G143 PolarHBondContact O-N 3.5Å; E104-G143 VanDerWaalsContact O-N 3.12Å; G143-P145 WeakPolarHBondContact O-CD 3.3Å
144	A	98.8	Very high	98	Very high	2 Å²	2	21 Å²	21	2%	0.017	11%	0.107	C	C	.	.			trans	-118.9	65.2	176.1	0	0	0	0	0	111.1	V36 M37 I38 P39 W102 Y146 L162 L165	V36-A144 HydrophobicContact CG1-CB 4.42Å; M37-A144 PolarHBondContact O-N 2.96Å; I38-A144 HydrophobicContact CG1-CB 4.29Å; P39-A144 VanDerWaalsContact CD-O 3.26Å; P39-A144 WeakPolarHBondContact CD-O 3.31Å; W102-A144 HydrophobicContact CH2-CB 3.99Å; W102-A144 HydrophobicContact CZ3-CB 4.06Å; A144-Y146 WeakPolarHBondContact O-CD1 3.45Å; A144-L162 HydrophobicContact CB-CD1 4.01Å; A144-L165 HydrophobicContact CB-CD2 3.97Å
145	P	98.4	Very high	98	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.019	11%	0.105	C	C	.	.			trans	-62.8	145.6	175.8	29.7	-36.3	0	0	0	111.4	C44 P100 G101 W102 I108 G143	C44-P145 HydrophobicContact CB-CB 3.6Å; P100-P145 VanDerWaalsContact O-CG 3.31Å; P100-P145 WeakPolarHBondContact O-CG 3.39Å; G101-P145 WeakPolarHBondContact O-CD 3.27Å; G101-P145 WeakPolarHBondContact O-CG 3.33Å; W102-P145 VanDerWaalsContact CZ3-O 3.26Å; W102-P145 WeakPolarHBondContact CZ3-O 3.48Å; I108-P145 HydrophobicContact CG2-CB 4.28Å; G143-P145 WeakPolarHBondContact O-CD 3.3Å
146	Y	98.5	Very high	97.8	Very high	8 Å²	8	26.7 Å²	26.7	3%	0.031	13%	0.13	C	C	.	.			trans	-145.4	172	-179.7	58.9	-87.4	0	0	0	109.8	I38 P39 C44 F99 A144 F148 L158 M185 Y189	I38-Y146 HydrophobicContact CG2-CE1 4Å; P39-Y146 HydrophobicContact CG-CD1 4.2Å; P39-Y146 HydrophobicContact CG-CE1 3.9Å; P39-Y146 WeakPolarHBondContact O-CE1 3.48Å; P39-Y146 VanDerWaalsContact O-CZ 3.31Å; P39-Y146 PolarHBondContact O-OH 2.85Å; C44-Y146 PolarHBondContact SG-O 2.8Å; F99-Y146 WeakPolarHBondContact CD1-O 3.26Å; A144-Y146 WeakPolarHBondContact O-CD1 3.45Å; Y146-F148 VanDerWaalsContact C-N 3.34Å; Y146-F148 HydrophobicContact CE2-CB 4.09Å; Y146-F148 PolarHBondContact O-N 3Å; Y146-L158 HydrophobicContact CG-CD2 4.49Å; Y146-M185 HydrophobicContact CE2-CE 3.95Å; Y146-Y189 HydrophobicContact CD2-CD1 4.39Å; Y146-Y189 AromaticContact CD2-CE1 3.89Å; Y146-Y189 HydrophobicContact CD2-CE1 3.89Å; Y146-Y189 HydrophobicContact CD2-CE2 4.26Å; Y146-Y189 AromaticContact CD2-CZ 3.8Å; Y146-Y189 HydrophobicContact CE2-CD1 4.27Å; Y146-Y189 AromaticContact CE2-CD2 3.89Å; Y146-Y189 HydrophobicContact CE2-CD2 3.89Å; Y146-Y189 AromaticContact CE2-CE1 3.95Å; Y146-Y189 HydrophobicContact CE2-CE1 3.95Å; Y146-Y189 AromaticContact CE2-CE2 3.54Å; Y146-Y189 HydrophobicContact CE2-CE2 3.54Å; Y146-Y189 HydrophobicContact CE2-CG 4.23Å; Y146-Y189 AromaticContact CE2-CZ 3.56Å; Y146-Y189 HydrophobicContact CG-CE1 4.49Å; Y146-Y189 AromaticContact CZ-CD2 3.93Å
147	D	98.3	Very high	97.7	Very high	15 Å²	15	24.7 Å²	24.7	8%	0.08	13%	0.126	C	C	.	.			trans	-72	93.4	173.4	-172.6	-10.9	0	0	0	109.6	F99 R149 K150 N155	F99-D147 HydrophobicContact CD2-CB 3.74Å; F99-D147 HydrophobicContact CE2-CB 3.41Å; F99-D147 VanDerWaalsContact CE2-CB 3.41Å; F99-D147 WeakPolarHBondContact CE2-OD1 3.33Å; F99-D147 HydrophobicContact CZ-CB 3.91Å; F99-D147 VanDerWaalsContact CZ-CG 3.46Å; F99-D147 WeakPolarHBondContact CZ-OD1 3.48Å; D147-R149 PolarHBondContact O-N 3.32Å; D147-R149 WeakPolarHBondContact OD1-CB 3.48Å; D147-R149 WeakPolarHBondContact OD1-CG 3.41Å; D147-R149 IonicContact OD1-CZ 3.39Å; D147-R149 PolarHBondContact OD1-N 3.31Å; D147-R149 IonicContact OD1-NE 3.61Å; D147-R149 PolarHBondContact OD1-NE 3.11Å; D147-R149 IonicContact OD1-NH2 2.8Å; D147-R149 IonicContact OD2-CZ 2.61Å; D147-R149 IonicContact OD2-NE 3.64Å; D147-R149 PolarHBondContact OD2-NE 3.08Å; D147-R149 IonicContact OD2-NH2 3.94Å; D147-R149 PolarHBondContact OD2-NH2 3.42Å; D147-K150 HydrophobicContact CB-CD 4.37Å; D147-K150 PolarHBondContact O-N 3.3Å; D147-K150 VanDerWaalsContact O-N 3.16Å; D147-K150 WeakPolarHBondContact OD2-CD 3.45Å; D147-K150 WeakPolarHBondContact OD2-CE 3.21Å; D147-K150 IonicContact OD2-NZ 3.48Å; D147-N155 PolarHBondContact N-OD1 3.46Å; D147-N155 PolarHBondContact O-ND2 3.2Å
148	F	97.7	Very high	97.7	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.018	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-6.1	-179	60.6	-107.9	0	0	0	113.7	A42 C44 W62 F78 F99 Y146 M185 S251	A42-F148 HydrophobicContact CB-CD2 4.25Å; A42-F148 HydrophobicContact CB-CE2 3.95Å; A42-F148 HydrophobicContact CB-CZ 4.2Å; C44-F148 WeakPolarHBondContact O-CE1 3.43Å; W62-F148 HydrophobicContact CB-CZ 4.37Å; W62-F148 AromaticContact CD1-CE1 3.99Å; W62-F148 AromaticContact CD1-CZ 3.74Å; W62-F148 AromaticContact CD2-CZ 3.98Å; W62-F148 HydrophobicContact CD2-CZ 3.98Å; W62-F148 HydrophobicContact CG-CE1 4.39Å; W62-F148 AromaticContact CG-CZ 3.75Å; W62-F148 HydrophobicContact CG-CZ 3.75Å; W62-F148 AromaticContact NE1-CZ 3.94Å; F78-F148 HydrophobicContact CE1-CE2 4.06Å; F78-F148 HydrophobicContact CE1-CZ 4.35Å; F78-F148 AromaticContact CZ-CE2 3.79Å; F78-F148 HydrophobicContact CZ-CE2 3.79Å; F78-F148 AromaticContact CZ-CZ 3.68Å; F78-F148 HydrophobicContact CZ-CZ 3.68Å; F99-F148 HydrophobicContact CD1-CD1 4.1Å; F99-F148 AromaticContact CD1-CE1 4Å; F99-F148 HydrophobicContact CD1-CE1 4Å; F99-F148 AromaticContact CE1-CD1 3.71Å; F99-F148 HydrophobicContact CE1-CD1 3.71Å; F99-F148 AromaticContact CE1-CE1 3.5Å; F99-F148 HydrophobicContact CE1-CE1 3.5Å; F99-F148 VanDerWaalsContact CE1-CE1 3.5Å; F99-F148 HydrophobicContact CE1-CG 4.41Å; F99-F148 HydrophobicContact CE1-CZ 4.03Å; Y146-F148 VanDerWaalsContact C-N 3.34Å; Y146-F148 HydrophobicContact CE2-CB 4.09Å; Y146-F148 PolarHBondContact O-N 3Å; F148-M185 HydrophobicContact CB-CE 4.11Å; F148-M185 WeakPolarHBondContact O-CE 3.17Å; F148-S251 WeakPolarHBondContact O-CB 3.25Å; F148-S251 PolarHBondContact O-OG 3.29Å
149	R	98.1	Very high	97.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-21.2	172.4	-54.7	172.6	-64.3	166	1.3	111	F78 L80 D91 F99 D147 M249 P250 S251	F78-R149 HydrophobicContact CE1-CG 3.81Å; F78-R149 HydrophobicContact CZ-CG 3.9Å; F78-R149 PolarHBondContact O-NH1 3.05Å; F78-R149 VanDerWaalsContact O-NH1 3.16Å; L80-R149 HydrophobicContact CD1-CB 3.62Å; L80-R149 HydrophobicContact CG-CB 4.39Å; D91-R149 IonicContact OD1-CZ 3.63Å; D91-R149 IonicContact OD1-NH1 3.97Å; D91-R149 PolarHBondContact OD1-NH1 3.18Å; D91-R149 IonicContact OD1-NH2 3.79Å; D91-R149 PolarHBondContact OD1-NH2 3.18Å; F99-R149 HydrophobicContact CZ-CG 4.49Å; D147-R149 PolarHBondContact O-N 3.32Å; D147-R149 WeakPolarHBondContact OD1-CB 3.48Å; D147-R149 WeakPolarHBondContact OD1-CG 3.41Å; D147-R149 IonicContact OD1-CZ 3.39Å; D147-R149 PolarHBondContact OD1-N 3.31Å; D147-R149 IonicContact OD1-NE 3.61Å; D147-R149 PolarHBondContact OD1-NE 3.11Å; D147-R149 IonicContact OD1-NH2 2.8Å; D147-R149 IonicContact OD2-CZ 2.61Å; D147-R149 IonicContact OD2-NE 3.64Å; D147-R149 PolarHBondContact OD2-NE 3.08Å; D147-R149 IonicContact OD2-NH2 3.94Å; D147-R149 PolarHBondContact OD2-NH2 3.42Å; R149-M249 HydrophobicContact CB-CB 4.29Å; R149-M249 HydrophobicContact CB-CG 3.88Å; R149-M249 HydrophobicContact CB-SD 4.19Å; R149-M249 HydrophobicContact CG-CE 4.1Å; R149-M249 HydrophobicContact CG-CG 4.22Å; R149-M249 HydrophobicContact CG-SD 4.02Å; R149-M249 CarbonylContact O-C 3.59Å; R149-M249 VanDerWaalsContact O-C 3.32Å; R149-M249 WeakPolarHBondContact O-CA 3.32Å; R149-M249 VanDerWaalsContact O-CB 3.28Å; R149-M249 WeakPolarHBondContact O-CB 3.45Å; R149-P250 VanDerWaalsContact O-CD 3.24Å; R149-P250 WeakPolarHBondContact O-CD 3.5Å; R149-S251 PolarHBondContact O-N 3.39Å; R149-S251 PolarHBondContact O-OG 2.85Å
150	K	98.1	Very high	97.7	Very high	30 Å²	30	24 Å²	24	13%	0.13	12%	0.122	C	C	.	.	S	Bend	trans	-104.6	157.8	-173.9	-67.3	-178	-177	-170.3	0	111.8	L80 S89 D147 E154 Y189 S251	L80-K150 HydrophobicContact CD1-CG 4.02Å; S89-K150 PolarHBondContact O-NZ 3.47Å; S89-K150 VanDerWaalsContact O-NZ 3.09Å; D147-K150 HydrophobicContact CB-CD 4.37Å; D147-K150 PolarHBondContact O-N 3.3Å; D147-K150 VanDerWaalsContact O-N 3.16Å; D147-K150 WeakPolarHBondContact OD2-CD 3.45Å; D147-K150 WeakPolarHBondContact OD2-CE 3.21Å; D147-K150 IonicContact OD2-NZ 3.48Å; K150-E154 HydrophobicContact CB-CB 4.09Å; K150-E154 HydrophobicContact CD-CB 3.88Å; K150-E154 HydrophobicContact CG-CB 4.28Å; K150-Y189 PolarHBondContact O-OH 3.44Å; K150-S251 WeakPolarHBondContact O-CB 3.44Å
151	A	97.4	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.			trans	-86.9	169.2	169.1	0	0	0	0	0	111	N153 E154 N155 Y189 F254 T300 L303	A151-N153 WeakPolarHBondContact CB-OD1 3.27Å; A151-N153 PolarHBondContact O-N 2.84Å; A151-N153 VanDerWaalsContact O-N 3.13Å; A151-E154 PolarHBondContact O-N 2.91Å; A151-E154 VanDerWaalsContact O-N 3.12Å; A151-N155 PolarHBondContact O-N 2.98Å; A151-Y189 WeakPolarHBondContact CA-OH 3.31Å; A151-Y189 PolarHBondContact O-OH 2.85Å; A151-F254 HydrophobicContact CB-CB 4.17Å; A151-F254 HydrophobicContact CB-CG 4.26Å; A151-T300 HydrophobicContact CB-CG2 3.35Å; A151-L303 HydrophobicContact CB-CD1 3.96Å
152	P	97.3	Very high	97.7	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.013	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28	-172.7	-27.9	34.2	0	0	0	115.7	E154 Y189 W192 F254	P152-E154 PolarHBondContact O-N 3Å; P152-Y189 HydrophobicContact CB-CD1 4.41Å; P152-Y189 HydrophobicContact CB-CE1 4.05Å; P152-Y189 HydrophobicContact CG-CD1 4.11Å; P152-Y189 HydrophobicContact CG-CD2 4.16Å; P152-Y189 HydrophobicContact CG-CE1 3.86Å; P152-Y189 HydrophobicContact CG-CE2 3.91Å; P152-Y189 HydrophobicContact CG-CG 4.27Å; P152-W192 HydrophobicContact CB-CB 4.41Å; P152-W192 HydrophobicContact CB-CD2 3.56Å; P152-W192 VanDerWaalsContact CB-CE2 3.49Å; P152-W192 HydrophobicContact CB-CE3 4.16Å; P152-W192 HydrophobicContact CB-CG 3.68Å; P152-W192 HydrophobicContact CB-CZ2 4Å; P152-W192 HydrophobicContact CG-CB 4.39Å; P152-W192 HydrophobicContact CG-CD2 4.42Å; P152-W192 HydrophobicContact CG-CG 4.15Å; P152-W192 WeakPolarHBondContact O-CZ2 3.23Å; P152-F254 HydrophobicContact CG-CE1 4.35Å; P152-F254 HydrophobicContact CG-CZ 4.12Å
153	N	95.6	Very high	97.7	Very high	49 Å²	49	31.3 Å²	31.3	26%	0.262	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.7	178.2	59.3	-36.8	0	0	0	114.1	A151 L303	A151-N153 WeakPolarHBondContact CB-OD1 3.27Å; A151-N153 PolarHBondContact O-N 2.84Å; A151-N153 VanDerWaalsContact O-N 3.13Å; N153-L303 HydrophobicContact CB-CD1 3.8Å; N153-L303 HydrophobicContact CB-CD2 3.78Å; N153-L303 HydrophobicContact CB-CG 4.46Å; N153-L303 VanDerWaalsContact OD1-CD1 3.3Å; N153-L303 WeakPolarHBondContact OD1-CD1 3.31Å
154	E	97	Very high	97.7	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.028	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-8.6	-176.4	-57.3	176	87.7	0	0	113.3	R88 S89 K150 A151 P152 Y156 P250	R88-E154 WeakPolarHBondContact CA-OE1 3.26Å; S89-E154 WeakPolarHBondContact CA-OE1 3.33Å; S89-E154 WeakPolarHBondContact CB-OE1 3.4Å; S89-E154 PolarHBondContact N-OE1 3.19Å; S89-E154 PolarHBondContact OG-OE1 3.35Å; K150-E154 HydrophobicContact CB-CB 4.09Å; K150-E154 HydrophobicContact CD-CB 3.88Å; K150-E154 HydrophobicContact CG-CB 4.28Å; A151-E154 PolarHBondContact O-N 2.91Å; A151-E154 VanDerWaalsContact O-N 3.12Å; P152-E154 PolarHBondContact O-N 3Å; E154-Y156 WeakPolarHBondContact O-CD2 3.41Å; E154-Y156 WeakPolarHBondContact O-CE2 3.26Å; E154-Y156 PolarHBondContact O-N 3.37Å; E154-P250 WeakPolarHBondContact OE2-CG 3.39Å
155	N	96.9	Very high	97.7	Very high	19 Å²	19	33.8 Å²	33.8	10%	0.102	18%	0.175	C	C	.	.	S	Bend	trans	-80.2	69.2	170.5	-90	-77.7	0	0	0	109.9	D147 A151 G157 L158 Y189	D147-N155 PolarHBondContact N-OD1 3.46Å; D147-N155 PolarHBondContact O-ND2 3.2Å; A151-N155 PolarHBondContact O-N 2.98Å; N155-G157 PolarHBondContact O-N 3.44Å; N155-L158 HydrophobicContact CB-CB 3.97Å; N155-L158 HydrophobicContact CB-CD2 3.78Å; N155-L158 WeakPolarHBondContact O-CB 3.22Å; N155-L158 PolarHBondContact O-N 3.04Å; N155-L158 VanDerWaalsContact O-N 3.11Å; N155-Y189 HydrophobicContact CB-CE1 4.35Å; N155-Y189 PolarHBondContact ND2-OH 3.32Å
156	Y	93.9	Very high	97.7	Very high	141 Å²	141	33.7 Å²	33.7	55%	0.553	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	136.7	-176.5	-60.5	-70.9	0	0	0	112.4	R88 E154 L158	R88-Y156 VanDerWaalsContact CD-OH 3.31Å; R88-Y156 WeakPolarHBondContact CD-OH 3.48Å; R88-Y156 WeakPolarHBondContact CG-OH 3.48Å; R88-Y156 PolarHBondContact NE-OH 2.98Å; E154-Y156 WeakPolarHBondContact O-CD2 3.41Å; E154-Y156 WeakPolarHBondContact O-CE2 3.26Å; E154-Y156 PolarHBondContact O-N 3.37Å; Y156-L158 PolarHBondContact O-N 3.4Å
157	G	96.2	Very high	97.7	Very high	36 Å²	36	36.1 Å²	36.1	37%	0.371	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	-3.8	-177.8	0	0	0	0	0	114.9	N155 F159 D160 K161	N155-G157 PolarHBondContact O-N 3.44Å; G157-F159 VanDerWaalsContact C-N 3.27Å; G157-F159 PolarHBondContact O-N 3.21Å; G157-D160 PolarHBondContact O-N 2.85Å; G157-K161 WeakPolarHBondContact O-CB 3.45Å; G157-K161 WeakPolarHBondContact O-CG 3.39Å; G157-K161 PolarHBondContact O-N 2.85Å
158	L	97.6	Very high	97.8	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.068	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-36.9	-179.3	-179.3	63.4	0	0	0	112.4	W102 Y146 N155 Y156 L162 Y189	W102-L158 HydrophobicContact CH2-CD1 3.59Å; W102-L158 HydrophobicContact CZ3-CD1 3.59Å; Y146-L158 HydrophobicContact CG-CD2 4.49Å; N155-L158 HydrophobicContact CB-CB 3.97Å; N155-L158 HydrophobicContact CB-CD2 3.78Å; N155-L158 WeakPolarHBondContact O-CB 3.22Å; N155-L158 PolarHBondContact O-N 3.04Å; N155-L158 VanDerWaalsContact O-N 3.11Å; Y156-L158 PolarHBondContact O-N 3.4Å; L158-L162 WeakPolarHBondContact O-CB 3.37Å; L158-L162 PolarHBondContact O-N 3.25Å; L158-Y189 HydrophobicContact CD2-CD1 3.5Å; L158-Y189 VanDerWaalsContact CD2-CD1 3.5Å; L158-Y189 HydrophobicContact CD2-CE1 3.48Å; L158-Y189 VanDerWaalsContact CD2-CE1 3.48Å
159	F	98.3	Very high	97.8	Very high	45 Å²	45	39.4 Å²	39.4	20%	0.197	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-54.3	176.3	174.3	-96.2	0	0	0	111.3	G157 L162 K163 W192 F193 K196	G157-F159 VanDerWaalsContact C-N 3.27Å; G157-F159 PolarHBondContact O-N 3.21Å; F159-L162 PolarHBondContact O-N 2.77Å; F159-K163 HydrophobicContact CE1-CD 4.42Å; F159-K163 HydrophobicContact CZ-CD 4.46Å; F159-K163 WeakPolarHBondContact O-CB 3.32Å; F159-K163 PolarHBondContact O-N 3.07Å; F159-W192 HydrophobicContact CB-CH2 3.94Å; F159-W192 HydrophobicContact CB-CZ3 4.19Å; F159-F193 AromaticContact CD2-CD2 3.57Å; F159-F193 HydrophobicContact CD2-CD2 3.57Å; F159-F193 AromaticContact CD2-CE2 3.89Å; F159-F193 HydrophobicContact CD2-CE2 3.89Å; F159-F193 AromaticContact CE2-CD2 3.9Å; F159-F193 HydrophobicContact CE2-CD2 3.9Å; F159-F193 AromaticContact CE2-CE2 3.92Å; F159-F193 HydrophobicContact CE2-CE2 3.92Å; F159-F193 HydrophobicContact CG-CD2 4.45Å; F159-K196 HydrophobicContact CD2-CB 3.9Å; F159-K196 HydrophobicContact CD2-CD 3.91Å; F159-K196 HydrophobicContact CE2-CB 3.42Å; F159-K196 VanDerWaalsContact CE2-CB 3.42Å; F159-K196 HydrophobicContact CE2-CD 4.28Å; F159-K196 HydrophobicContact CZ-CB 4.13Å
160	D	98.4	Very high	97.8	Very high	105 Å²	105	40.7 Å²	40.7	56%	0.561	21%	0.205	S	C	*	.	H	α-helix	trans	-65.9	-42.4	-178	-57.7	-54.2	0	0	0	111.4	G157 L162 K163 A164	G157-D160 PolarHBondContact O-N 2.85Å; D160-L162 PolarHBondContact O-N 2.71Å; D160-K163 PolarHBondContact O-N 3.01Å; D160-A164 WeakPolarHBondContact O-CB 3.34Å; D160-A164 PolarHBondContact O-N 2.99Å
161	K	98.3	Very high	97.9	Very high	101 Å²	101	43.8 Å²	43.8	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-45.6	176.8	-72.1	-179.3	67.6	-176.4	0	111.9	W102 G157 A164 L165	W102-K161 HydrophobicContact CH2-CB 4.04Å; W102-K161 VanDerWaalsContact CZ2-C 3.42Å; W102-K161 HydrophobicContact CZ2-CB 3.52Å; W102-K161 WeakPolarHBondContact CZ2-O 3.39Å; G157-K161 WeakPolarHBondContact O-CB 3.45Å; G157-K161 WeakPolarHBondContact O-CG 3.39Å; G157-K161 PolarHBondContact O-N 2.85Å; K161-A164 PolarHBondContact O-N 2.69Å; K161-L165 WeakPolarHBondContact O-CB 3.37Å; K161-L165 PolarHBondContact O-N 3.08Å
162	L	98.8	Very high	97.9	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-39.6	-179.7	-178.1	56.4	0	0	0	111.3	V36 I38 W102 A144 L158 F159 D160 L165 I166 F193	V36-L162 HydrophobicContact CG1-CD1 4.31Å; I38-L162 HydrophobicContact CD1-CD2 4.18Å; W102-L162 HydrophobicContact CH2-CB 4.24Å; A144-L162 HydrophobicContact CB-CD1 4.01Å; L158-L162 WeakPolarHBondContact O-CB 3.37Å; L158-L162 PolarHBondContact O-N 3.25Å; F159-L162 PolarHBondContact O-N 2.77Å; D160-L162 PolarHBondContact O-N 2.71Å; L162-L165 HydrophobicContact CD1-CD2 4.45Å; L162-L165 PolarHBondContact O-N 3.03Å; L162-I166 HydrophobicContact CD1-CD1 4.06Å; L162-I166 HydrophobicContact CD1-CG1 4.33Å; L162-I166 HydrophobicContact CG-CD1 4.02Å; L162-I166 WeakPolarHBondContact O-CG1 3.37Å; L162-I166 PolarHBondContact O-N 2.89Å; L162-F193 HydrophobicContact CB-CD2 4.18Å; L162-F193 HydrophobicContact CB-CE2 4.1Å; L162-F193 HydrophobicContact CD2-CB 3.99Å; L162-F193 HydrophobicContact CD2-CD1 3.91Å; L162-F193 HydrophobicContact CD2-CD2 3.82Å; L162-F193 HydrophobicContact CD2-CE1 4.38Å; L162-F193 HydrophobicContact CD2-CE2 4.3Å; L162-F193 HydrophobicContact CD2-CG 3.61Å; L162-F193 HydrophobicContact CG-CD1 4.37Å; L162-F193 HydrophobicContact CG-CD2 4.1Å; L162-F193 HydrophobicContact CG-CE1 4.35Å; L162-F193 HydrophobicContact CG-CE2 4.08Å; L162-F193 HydrophobicContact CG-CG 4.26Å; L162-F193 HydrophobicContact CG-CZ 4.21Å
163	K	98.9	Very high	97.9	Very high	71 Å²	71	45.5 Å²	45.5	31%	0.309	23%	0.229	S	C	.	.	H	α-helix	trans	-58.6	-51.5	173.8	-166.3	-176.9	175.9	-164.1	0	111.1	F159 D160 L165 I166 E167 F193 W201	F159-K163 HydrophobicContact CE1-CD 4.42Å; F159-K163 HydrophobicContact CZ-CD 4.46Å; F159-K163 WeakPolarHBondContact O-CB 3.32Å; F159-K163 PolarHBondContact O-N 3.07Å; D160-K163 PolarHBondContact O-N 3.01Å; K163-L165 VanDerWaalsContact C-N 3.33Å; K163-L165 PolarHBondContact O-N 3.29Å; K163-I166 PolarHBondContact O-N 2.95Å; K163-E167 VanDerWaalsContact CE-OE1 3.26Å; K163-E167 WeakPolarHBondContact CE-OE1 3.35Å; K163-E167 WeakPolarHBondContact O-CG 3.35Å; K163-E167 PolarHBondContact O-N 3.47Å; K163-F193 HydrophobicContact CB-CE2 3.94Å; K163-F193 HydrophobicContact CB-CZ 4.15Å; K163-W201 HydrophobicContact CG-CH2 4.5Å; K163-W201 HydrophobicContact CG-CZ2 3.63Å
164	A	98.8	Very high	98	Very high	52 Å²	52	51.4 Å²	51.4	43%	0.43	25%	0.253	S	S	.	.	H	α-helix	trans	-61.3	-40.7	178.1	0	0	0	0	0	112.1	D160 K161 I166 E167 E168	D160-A164 WeakPolarHBondContact O-CB 3.34Å; D160-A164 PolarHBondContact O-N 2.99Å; K161-A164 PolarHBondContact O-N 2.69Å; A164-I166 VanDerWaalsContact C-N 3.33Å; A164-I166 PolarHBondContact O-N 3.16Å; A164-E167 PolarHBondContact O-N 3.23Å; A164-E168 VanDerWaalsContact O-CB 3.31Å; A164-E168 WeakPolarHBondContact O-CB 3.34Å; A164-E168 PolarHBondContact O-N 3Å
165	L	98.9	Very high	98	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-43.3	176.7	-177.5	67.5	0	0	0	111.7	V36 W102 R142 A144 K161 L162 K163 T169	V36-L165 HydrophobicContact CG1-CD2 4.14Å; W102-L165 HydrophobicContact CZ2-CB 4.15Å; W102-L165 HydrophobicContact CZ2-CD2 3.98Å; R142-L165 HydrophobicContact CB-CD1 4.11Å; R142-L165 HydrophobicContact CB-CD2 4.34Å; R142-L165 HydrophobicContact CB-CG 4.39Å; R142-L165 HydrophobicContact CG-CD1 4.11Å; R142-L165 VanDerWaalsContact NH2-CD1 3.29Å; A144-L165 HydrophobicContact CB-CD2 3.97Å; K161-L165 WeakPolarHBondContact O-CB 3.37Å; K161-L165 PolarHBondContact O-N 3.08Å; L162-L165 HydrophobicContact CD1-CD2 4.45Å; L162-L165 PolarHBondContact O-N 3.03Å; K163-L165 VanDerWaalsContact C-N 3.33Å; K163-L165 PolarHBondContact O-N 3.29Å; L165-T169 VanDerWaalsContact O-CB 3.3Å; L165-T169 WeakPolarHBondContact O-CB 3.22Å; L165-T169 PolarHBondContact O-N 3.38Å; L165-T169 PolarHBondContact O-OG1 3.36Å
166	I	98.9	Very high	98.1	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.4	-43.8	179	-69.3	163.8	0	0	0	110.8	V36 L162 K163 A164 T169 Y170 V178 L180 F193 W201 I206	V36-I166 HydrophobicContact CG2-CG1 4.34Å; L162-I166 HydrophobicContact CD1-CD1 4.06Å; L162-I166 HydrophobicContact CD1-CG1 4.33Å; L162-I166 HydrophobicContact CG-CD1 4.02Å; L162-I166 WeakPolarHBondContact O-CG1 3.37Å; L162-I166 PolarHBondContact O-N 2.89Å; K163-I166 PolarHBondContact O-N 2.95Å; A164-I166 VanDerWaalsContact C-N 3.33Å; A164-I166 PolarHBondContact O-N 3.16Å; I166-T169 PolarHBondContact O-N 3.07Å; I166-Y170 WeakPolarHBondContact O-CB 3.14Å; I166-Y170 PolarHBondContact O-N 2.9Å; I166-V178 HydrophobicContact CG2-CB 4.28Å; I166-V178 HydrophobicContact CG2-CG2 4.04Å; I166-L180 HydrophobicContact CD1-CD1 4.36Å; I166-L180 HydrophobicContact CD1-CD2 3.83Å; I166-L180 HydrophobicContact CG1-CD2 4.07Å; I166-F193 HydrophobicContact CD1-CD1 4.49Å; I166-F193 HydrophobicContact CD1-CE1 3.54Å; I166-F193 HydrophobicContact CD1-CZ 3.79Å; I166-W201 HydrophobicContact CB-CH2 4.12Å; I166-W201 HydrophobicContact CB-CZ2 4.28Å; I166-W201 HydrophobicContact CD1-CH2 3.9Å; I166-W201 HydrophobicContact CG2-CH2 3.73Å; I166-W201 HydrophobicContact CG2-CZ2 3.99Å; I166-I206 HydrophobicContact CD1-CD1 4.35Å; I166-I206 HydrophobicContact CG2-CD1 3.94Å
167	E	98.9	Very high	98.3	Very high	60 Å²	60	53 Å²	53	28%	0.28	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-44.6	177.3	-69.8	172.9	175	0	0	111.5	K163 A164 T169 Y170 E171 W201 Y205	K163-E167 VanDerWaalsContact CE-OE1 3.26Å; K163-E167 WeakPolarHBondContact CE-OE1 3.35Å; K163-E167 WeakPolarHBondContact O-CG 3.35Å; K163-E167 PolarHBondContact O-N 3.47Å; A164-E167 PolarHBondContact O-N 3.23Å; E167-T169 PolarHBondContact O-N 3.11Å; E167-Y170 WeakPolarHBondContact O-CB 3.09Å; E167-Y170 PolarHBondContact O-N 3.07Å; E167-E171 PolarHBondContact O-N 3.14Å; E167-E171 VanDerWaalsContact O-N 3.09Å; E167-W201 HydrophobicContact CG-CZ2 4.25Å; E167-W201 PolarHBondContact OE1-NE1 2.9Å; E167-Y205 HydrophobicContact CB-CE1 4.21Å; E167-Y205 HydrophobicContact CG-CD1 4.16Å; E167-Y205 HydrophobicContact CG-CE1 3.78Å; E167-Y205 HydrophobicContact CG-CE2 4.21Å
168	E	98.9	Very high	98.4	Very high	88 Å²	88	51.2 Å²	51.2	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-62.6	-42.9	175.6	-166	-154.9	142.7	0	0	111.4	R142 A164 Y170 E171 N172	R142-E168 IonicContact CZ-OE1 2.9Å; R142-E168 IonicContact CZ-OE2 2.77Å; R142-E168 IonicContact NH1-OE1 3.31Å; R142-E168 PolarHBondContact NH1-OE1 3.13Å; R142-E168 IonicContact NH1-OE2 2.72Å; R142-E168 IonicContact NH2-OE1 3.78Å; R142-E168 PolarHBondContact NH2-OE1 2.87Å; R142-E168 IonicContact NH2-OE2 3.72Å; R142-E168 PolarHBondContact NH2-OE2 3.39Å; A164-E168 VanDerWaalsContact O-CB 3.31Å; A164-E168 WeakPolarHBondContact O-CB 3.34Å; A164-E168 PolarHBondContact O-N 3Å; E168-Y170 VanDerWaalsContact C-N 3.29Å; E168-Y170 PolarHBondContact O-N 2.66Å; E168-E171 PolarHBondContact O-N 3.19Å; E168-N172 WeakPolarHBondContact O-CB 3.35Å; E168-N172 PolarHBondContact O-N 2.83Å; E168-N172 PolarHBondContact O-ND2 3.1Å; E168-N172 PolarHBondContact OE1-ND2 3.08Å
169	T	98.9	Very high	98.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-38.7	177.6	-57.3	0	0	0	0	111.7	P34 V36 R142 L165 I166 E167 A173 V178	P34-T169 HydrophobicContact CB-CG2 3.64Å; P34-T169 HydrophobicContact CG-CG2 4.14Å; V36-T169 HydrophobicContact CG2-CG2 4.13Å; R142-T169 HydrophobicContact CG-CG2 4.27Å; R142-T169 VanDerWaalsContact CG-OG1 3.28Å; R142-T169 WeakPolarHBondContact CG-OG1 3.34Å; L165-T169 VanDerWaalsContact O-CB 3.3Å; L165-T169 WeakPolarHBondContact O-CB 3.22Å; L165-T169 PolarHBondContact O-N 3.38Å; L165-T169 PolarHBondContact O-OG1 3.36Å; I166-T169 PolarHBondContact O-N 3.07Å; E167-T169 PolarHBondContact O-N 3.11Å; T169-A173 VanDerWaalsContact O-CB 3.23Å; T169-A173 WeakPolarHBondContact O-CB 3.29Å; T169-A173 PolarHBondContact O-N 2.74Å; T169-V178 HydrophobicContact CG2-CG1 4.47Å; T169-V178 HydrophobicContact CG2-CG2 3.94Å
170	Y	98.8	Very high	98.5	Very high	26 Å²	26	48.6 Å²	48.6	10%	0.102	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-47.7	174.6	169.5	-91.2	0	0	0	111.8	I166 E167 E168 A173 Q175 R176 Y205	I166-Y170 WeakPolarHBondContact O-CB 3.14Å; I166-Y170 PolarHBondContact O-N 2.9Å; E167-Y170 WeakPolarHBondContact O-CB 3.09Å; E167-Y170 PolarHBondContact O-N 3.07Å; E168-Y170 VanDerWaalsContact C-N 3.29Å; E168-Y170 PolarHBondContact O-N 2.66Å; Y170-A173 PolarHBondContact O-N 2.68Å; Y170-Q175 HydrophobicContact CD1-CB 4.42Å; Y170-Q175 HydrophobicContact CD1-CG 4.36Å; Y170-Q175 HydrophobicContact CE1-CB 3.64Å; Y170-Q175 HydrophobicContact CE1-CG 3.65Å; Y170-Q175 HydrophobicContact CE2-CB 4.2Å; Y170-Q175 WeakPolarHBondContact CE2-O 3.2Å; Y170-Q175 VanDerWaalsContact CZ-C 3.49Å; Y170-Q175 VanDerWaalsContact O-CA 3.29Å; Y170-Q175 WeakPolarHBondContact O-CA 3.28Å; Y170-Q175 PolarHBondContact O-N 2.82Å; Y170-Q175 WeakPolarHBondContact OH-CB 3.28Å; Y170-Q175 PolarHBondContact OH-O 3.16Å; Y170-R176 VanDerWaalsContact CD2-C 3.43Å; Y170-R176 VanDerWaalsContact CD2-O 3.23Å; Y170-R176 WeakPolarHBondContact CD2-O 3.23Å; Y170-Y205 HydrophobicContact CD1-CD1 4.05Å; Y170-Y205 AromaticContact CD1-CE1 3.69Å; Y170-Y205 HydrophobicContact CD1-CE1 3.69Å; Y170-Y205 AromaticContact CD2-CD1 4Å; Y170-Y205 HydrophobicContact CD2-CD1 4Å; Y170-Y205 HydrophobicContact CD2-CE1 4.43Å; Y170-Y205 HydrophobicContact CE1-CE1 4.13Å; Y170-Y205 AromaticContact CG-CD1 3.7Å; Y170-Y205 HydrophobicContact CG-CD1 3.7Å; Y170-Y205 AromaticContact CG-CE1 3.85Å; Y170-Y205 HydrophobicContact CG-CE1 3.85Å
171	E	98.6	Very high	98.5	Very high	95 Å²	95	43.6 Å²	43.6	44%	0.444	21%	0.209	S	C	.	.	H	α-helix	trans	-64.9	-45.9	178.1	-64.6	-56.4	152.3	0	0	111.5	E167 E168 A173 K174 Q175	E167-E171 PolarHBondContact O-N 3.14Å; E167-E171 VanDerWaalsContact O-N 3.09Å; E168-E171 PolarHBondContact O-N 3.19Å; E171-A173 PolarHBondContact O-N 2.83Å; E171-A173 VanDerWaalsContact O-N 3.16Å; E171-K174 PolarHBondContact O-N 2.9Å; E171-Q175 PolarHBondContact OE2-NE2 2.9Å
172	N	98.3	Very high	98.6	Very high	37 Å²	37	38.8 Å²	38.8	20%	0.198	19%	0.188	C	C	.	.	H	α-helix	trans	-56.6	-33.2	176.3	-71.6	-17.6	0	0	0	112.4	F139 R142 E168 K174	F139-N172 HydrophobicContact CD1-CB 4.15Å; F139-N172 HydrophobicContact CD2-CB 4Å; F139-N172 HydrophobicContact CE1-CB 3.82Å; F139-N172 WeakPolarHBondContact CE1-O 3.42Å; F139-N172 HydrophobicContact CE2-CB 3.68Å; F139-N172 WeakPolarHBondContact CE2-OD1 3.46Å; F139-N172 HydrophobicContact CG-CB 4.22Å; F139-N172 HydrophobicContact CZ-CB 3.57Å; F139-N172 PolarHBondContact O-ND2 2.79Å; R142-N172 PolarHBondContact NH1-ND2 2.91Å; E168-N172 WeakPolarHBondContact O-CB 3.35Å; E168-N172 PolarHBondContact O-N 2.83Å; E168-N172 PolarHBondContact O-ND2 3.1Å; E168-N172 PolarHBondContact OE1-ND2 3.08Å; N172-K174 VanDerWaalsContact C-N 3.27Å; N172-K174 PolarHBondContact O-N 2.83Å
173	A	97.9	Very high	98.6	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	14.3	178.9	0	0	0	0	0	114.4	P34 F134 T140 T169 Y170 E171 R176	P34-A173 HydrophobicContact CB-CB 3.62Å; P34-A173 HydrophobicContact CG-CB 3.39Å; F134-A173 HydrophobicContact CE2-CB 4.4Å; F134-A173 HydrophobicContact CZ-CB 4Å; T140-A173 HydrophobicContact CG2-CB 4.24Å; T169-A173 VanDerWaalsContact O-CB 3.23Å; T169-A173 WeakPolarHBondContact O-CB 3.29Å; T169-A173 PolarHBondContact O-N 2.74Å; Y170-A173 PolarHBondContact O-N 2.68Å; E171-A173 PolarHBondContact O-N 2.83Å; E171-A173 VanDerWaalsContact O-N 3.16Å; A173-R176 HydrophobicContact CB-CB 4.12Å; A173-R176 WeakPolarHBondContact O-CD 3.48Å; A173-R176 WeakPolarHBondContact O-CG 3.24Å; A173-R176 PolarHBondContact O-NE 2.91Å
174	K	97	Very high	98.6	Very high	173 Å²	173	35.7 Å²	35.7	75%	0.752	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	52.4	-175.3	-51.8	-178.7	179.6	-175.9	0	111.8	E171 N172 R176	E171-K174 PolarHBondContact O-N 2.9Å; N172-K174 VanDerWaalsContact C-N 3.27Å; N172-K174 PolarHBondContact O-N 2.83Å; K174-R176 VanDerWaalsContact C-N 3.3Å; K174-R176 PolarHBondContact O-N 3.49Å
175	Q	97.8	Very high	98.5	Very high	118 Å²	118	33.2 Å²	33.2	55%	0.551	16%	0.155	S	C	*	.	S	Bend	trans	62.7	34.9	173.5	-61.5	-177.3	-12.8	0	0	113.8	Y170 E171	Y170-Q175 HydrophobicContact CD1-CB 4.42Å; Y170-Q175 HydrophobicContact CD1-CG 4.36Å; Y170-Q175 HydrophobicContact CE1-CB 3.64Å; Y170-Q175 HydrophobicContact CE1-CG 3.65Å; Y170-Q175 HydrophobicContact CE2-CB 4.2Å; Y170-Q175 WeakPolarHBondContact CE2-O 3.2Å; Y170-Q175 VanDerWaalsContact CZ-C 3.49Å; Y170-Q175 VanDerWaalsContact O-CA 3.29Å; Y170-Q175 WeakPolarHBondContact O-CA 3.28Å; Y170-Q175 PolarHBondContact O-N 2.82Å; Y170-Q175 WeakPolarHBondContact OH-CB 3.28Å; Y170-Q175 PolarHBondContact OH-O 3.16Å; E171-Q175 PolarHBondContact OE2-NE2 2.9Å
176	R	97.5	Very high	98.5	Very high	47 Å²	47	33 Å²	33	18%	0.177	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-95.8	129.5	175.5	-64.6	174.5	-161.6	-175.8	2.1	109.8	F29 P32 P34 Y170 A173 K174	F29-R176 HydrophobicContact CE1-CG 4.2Å; F29-R176 HydrophobicContact CE2-CG 4.46Å; F29-R176 HydrophobicContact CZ-CG 3.96Å; P32-R176 VanDerWaalsContact O-CD 3.23Å; P32-R176 WeakPolarHBondContact O-CD 3.4Å; P32-R176 PolarHBondContact O-NH1 3.26Å; P34-R176 HydrophobicContact CG-CB 4.5Å; P34-R176 WeakPolarHBondContact CG-O 3.18Å; Y170-R176 VanDerWaalsContact CD2-C 3.43Å; Y170-R176 VanDerWaalsContact CD2-O 3.23Å; Y170-R176 WeakPolarHBondContact CD2-O 3.23Å; A173-R176 HydrophobicContact CB-CB 4.12Å; A173-R176 WeakPolarHBondContact O-CD 3.48Å; A173-R176 WeakPolarHBondContact O-CG 3.24Å; A173-R176 PolarHBondContact O-NE 2.91Å; K174-R176 VanDerWaalsContact C-N 3.3Å; K174-R176 PolarHBondContact O-N 3.49Å
177	P	98.4	Very high	98.5	Very high	34 Å²	34	33 Å²	33	22%	0.221	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-62	145.8	178.9	26.7	-33.8	0	0	0	111.3	Y33 P34 Y205 K207	Y33-P177 HydrophobicContact CD1-CG 4.25Å; Y33-P177 WeakPolarHBondContact CD1-O 3.18Å; Y33-P177 HydrophobicContact CE1-CG 4.13Å; P34-P177 WeakPolarHBondContact CD-O 3.46Å; P177-Y205 CarbonylContact C-O 3.59Å; P177-K207 HydrophobicContact CB-CB 3.85Å; P177-K207 HydrophobicContact CG-CB 3.92Å; P177-K207 HydrophobicContact CG-CD 4.28Å; P177-K207 WeakPolarHBondContact O-CB 3.21Å
178	V	98.9	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.7	-169.8	179.4	0	0	0	0	111.4	P34 V36 I166 T169 L180 Y205 I206 K207	P34-V178 HydrophobicContact CG-CB 4.48Å; P34-V178 HydrophobicContact CG-CG2 3.97Å; V36-V178 HydrophobicContact CB-CG1 3.99Å; V36-V178 HydrophobicContact CG2-CG1 3.58Å; I166-V178 HydrophobicContact CG2-CB 4.28Å; I166-V178 HydrophobicContact CG2-CG2 4.04Å; T169-V178 HydrophobicContact CG2-CG1 4.47Å; T169-V178 HydrophobicContact CG2-CG2 3.94Å; V178-L180 HydrophobicContact CG1-CD2 4.15Å; V178-Y205 PolarHBondContact N-O 3.11Å; V178-I206 WeakPolarHBondContact O-CA 3.42Å; V178-K207 PolarHBondContact O-N 3.06Å
179	V	98.9	Very high	98.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.6	164.2	175.3	0	0	0	0	108.8	P34 L35 V36 K207 S208 V210 I398 L399	P34-V179 PolarHBondContact O-N 3.16Å; L35-V179 HydrophobicContact CD1-CB 4.48Å; L35-V179 HydrophobicContact CD1-CG1 4.28Å; V36-V179 PolarHBondContact N-O 2.97Å; V179-K207 HydrophobicContact CG2-CB 4.08Å; V179-K207 HydrophobicContact CG2-CG 4.05Å; V179-S208 WeakPolarHBondContact CA-O 3.14Å; V179-V210 HydrophobicContact CG1-CG2 3.83Å; V179-I398 HydrophobicContact CG1-CG2 4.2Å; V179-I398 HydrophobicContact CG2-CG2 4.27Å; V179-L399 HydrophobicContact CB-CD2 3.6Å; V179-L399 HydrophobicContact CG1-CD2 3.99Å; V179-L399 HydrophobicContact CG2-CD2 3.7Å
180	L	98.9	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.8	172.2	-65.2	-175.5	0	0	0	109.5	V36 I166 V178 P182 L194 I206 S208 L209 V210	V36-L180 HydrophobicContact CB-CD2 3.84Å; V36-L180 HydrophobicContact CG1-CD2 4.2Å; I166-L180 HydrophobicContact CD1-CD1 4.36Å; I166-L180 HydrophobicContact CD1-CD2 3.83Å; I166-L180 HydrophobicContact CG1-CD2 4.07Å; V178-L180 HydrophobicContact CG1-CD2 4.15Å; L180-P182 VanDerWaalsContact O-CD 3.26Å; L180-P182 WeakPolarHBondContact O-CD 3.49Å; L180-L194 HydrophobicContact CD1-CD1 4.35Å; L180-L194 HydrophobicContact CD1-CD2 4.19Å; L180-I206 HydrophobicContact CD1-CD1 3.73Å; L180-I206 HydrophobicContact CD1-CG1 4.48Å; L180-I206 HydrophobicContact CD1-CG2 4.43Å; L180-I206 HydrophobicContact CD2-CD1 4.41Å; L180-I206 HydrophobicContact CG-CD1 3.95Å; L180-I206 HydrophobicContact CG-CG2 4.41Å; L180-S208 PolarHBondContact N-O 2.93Å; L180-L209 HydrophobicContact CB-CD1 3.88Å; L180-L209 HydrophobicContact CD1-CD1 4.48Å; L180-V210 PolarHBondContact O-N 3.18Å
181	L	98.9	Very high	98.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	79	176.8	-178.9	59.5	0	0	0	110.3	L35 V36 M37 I38 F122 L125 V210 S212 I395	L35-L181 HydrophobicContact CD1-CB 3.58Å; L35-L181 HydrophobicContact CD1-CD2 4.2Å; V36-L181 PolarHBondContact O-N 2.77Å; M37-L181 WeakPolarHBondContact CA-O 3.44Å; M37-L181 HydrophobicContact CG-CB 4.45Å; M37-L181 HydrophobicContact CG-CD2 4.38Å; I38-L181 PolarHBondContact N-O 3.36Å; I38-L181 VanDerWaalsContact N-O 3.09Å; F122-L181 HydrophobicContact CE1-CD2 3.97Å; F122-L181 HydrophobicContact CE1-CG 4.17Å; L125-L181 HydrophobicContact CD2-CD2 3.35Å; L181-V210 HydrophobicContact CD1-CB 3.91Å; L181-V210 HydrophobicContact CD1-CG1 3.82Å; L181-V210 WeakPolarHBondContact CD1-O 3.14Å; L181-S212 VanDerWaalsContact CD1-OG 3.3Å; L181-S212 WeakPolarHBondContact CD1-OG 3.32Å; L181-I395 HydrophobicContact CD1-CD1 3.69Å; L181-I395 HydrophobicContact CD2-CD1 4.25Å; L181-I395 HydrophobicContact CD2-CG1 4.3Å; L181-I395 HydrophobicContact CD2-CG2 4.18Å
182	P	98.9	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	147.6	167.9	31.5	-36.5	0	0	0	112.5	I38 L180 G186 C187 A190 L209 V210 F211 S212	I38-P182 HydrophobicContact CB-CB 4.09Å; I38-P182 WeakPolarHBondContact O-CA 3.29Å; L180-P182 VanDerWaalsContact O-CD 3.26Å; L180-P182 WeakPolarHBondContact O-CD 3.49Å; P182-G186 VanDerWaalsContact CB-C 3.43Å; P182-G186 WeakPolarHBondContact CB-O 3.33Å; P182-C187 VanDerWaalsContact C-SG 3.58Å; P182-C187 HydrophobicContact CB-CB 4.24Å; P182-C187 HydrophobicContact CG-CB 4.39Å; P182-C187 PolarHBondContact O-SG 3.01Å; P182-C187 VanDerWaalsContact O-SG 3.38Å; P182-A190 HydrophobicContact CB-CB 3.91Å; P182-A190 HydrophobicContact CG-CB 3.87Å; P182-L209 HydrophobicContact CG-CD1 3.96Å; P182-V210 VanDerWaalsContact CD-O 3.32Å; P182-V210 WeakPolarHBondContact CD-O 3.34Å; P182-F211 HydrophobicContact CG-CD1 3.83Å; P182-F211 HydrophobicContact CG-CE1 4.22Å; P182-S212 PolarHBondContact O-N 3.3Å
183	H	98.9	Very high	98.4	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.009	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-122.8	139.7	172.1	173.4	-103	0	0	0	111.6	I38 G40 Y121 F122 M185 G186 S212 H382 L386	I38-H183 PolarHBondContact O-N 2.85Å; G40-H183 WeakPolarHBondContact CA-O 3.48Å; G40-H183 PolarHBondContact N-O 2.96Å; Y121-H183 AromaticContact CE2-CE1 3.83Å; Y121-H183 AromaticContact CE2-ND1 3.5Å; Y121-H183 WeakPolarHBondContact CE2-ND1 3.44Å; Y121-H183 AromaticContact CZ-ND1 3.48Å; Y121-H183 PolarHBondContact OH-ND1 3.31Å; F122-H183 HydrophobicContact CZ-CB 3.98Å; H183-M185 PolarHBondContact O-N 3.28Å; H183-G186 WeakPolarHBondContact O-CA 3.25Å; H183-G186 PolarHBondContact O-N 3.16Å; H183-S212 WeakPolarHBondContact CA-O 3.16Å; H183-S212 PolarHBondContact CD2-O 2.84Å; H183-H382 PolarHBondContact NE2-O 3.44Å; H183-L386 HydrophobicContact CB-CD1 4.31Å; H183-L386 HydrophobicContact CB-CD2 4.21Å
184	S	98.7	Very high	98.5	Very high	11 Å²	11	20.5 Å²	20.5	8%	0.077	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-128.3	174.6	-175.7	0	0	0	0	111.5	G186 C187 S212 S213 P215 H382	S184-G186 PolarHBondContact O-N 3.18Å; S184-G186 VanDerWaalsContact O-N 3.11Å; S184-C187 WeakPolarHBondContact O-CB 3.28Å; S184-C187 PolarHBondContact O-N 3.25Å; S184-C187 PolarHBondContact O-SG 3.21Å; S184-S212 PolarHBondContact N-O 2.94Å; S184-S213 WeakPolarHBondContact CA-O 3.43Å; S184-P215 VanDerWaalsContact C-CD 3.46Å; S184-P215 VanDerWaalsContact O-CD 3.27Å; S184-P215 WeakPolarHBondContact O-CD 3.37Å; S184-H382 VanDerWaalsContact CB-NE2 3.31Å; S184-H382 WeakPolarHBondContact CB-NE2 3.12Å; S184-H382 PolarHBondContact OG-CE1 3.32Å; S184-H382 PolarHBondContact OG-NE2 3.41Å
185	M	98.5	Very high	98.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.7	-26.1	176.6	-174.7	172	72.2	0	0	113.9	T41 Y146 F148 H183 C187 L188 Y189 F254 L255	T41-M185 HydrophobicContact CG2-CE 4.49Å; T41-M185 WeakPolarHBondContact OG1-CB 3.08Å; T41-M185 VanDerWaalsContact OG1-CE 3.29Å; T41-M185 WeakPolarHBondContact OG1-CE 3.43Å; T41-M185 PolarHBondContact OG1-SD 2.77Å; Y146-M185 HydrophobicContact CE2-CE 3.95Å; F148-M185 HydrophobicContact CB-CE 4.11Å; F148-M185 WeakPolarHBondContact O-CE 3.17Å; H183-M185 PolarHBondContact O-N 3.28Å; M185-C187 PolarHBondContact O-N 2.72Å; M185-C187 VanDerWaalsContact O-N 3.08Å; M185-L188 PolarHBondContact O-N 2.71Å; M185-Y189 HydrophobicContact CE-CE2 4.07Å; M185-Y189 HydrophobicContact CG-CD2 4.07Å; M185-Y189 HydrophobicContact CG-CE2 4.14Å; M185-Y189 PolarHBondContact O-N 2.92Å; M185-Y189 HydrophobicContact SD-CE2 4.27Å; M185-F254 HydrophobicContact CG-CD1 4.39Å; M185-F254 HydrophobicContact CG-CE1 4.29Å; M185-F254 HydrophobicContact SD-CD1 4.17Å; M185-L255 HydrophobicContact CB-CD1 4.15Å; M185-L255 HydrophobicContact CB-CD2 4.3Å; M185-L255 HydrophobicContact CG-CD1 4.17Å; M185-L255 HydrophobicContact CG-CD2 4.11Å; M185-L255 HydrophobicContact CG-CG 4.38Å; M185-L255 HydrophobicContact SD-CD1 3.77Å; M185-L255 HydrophobicContact SD-CG 4.16Å
186	G	98.7	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.2	-25	174.1	0	0	0	0	0	112.5	P39 P182 H183 S184 Y189 A190	P39-G186 WeakPolarHBondContact O-CA 3.3Å; P39-G186 PolarHBondContact O-N 3.35Å; P182-G186 VanDerWaalsContact CB-C 3.43Å; P182-G186 WeakPolarHBondContact CB-O 3.33Å; H183-G186 WeakPolarHBondContact O-CA 3.25Å; H183-G186 PolarHBondContact O-N 3.16Å; S184-G186 PolarHBondContact O-N 3.18Å; S184-G186 VanDerWaalsContact O-N 3.11Å; G186-Y189 WeakPolarHBondContact O-CB 3.29Å; G186-Y189 PolarHBondContact O-N 3.5Å; G186-A190 WeakPolarHBondContact O-CB 3.11Å; G186-A190 PolarHBondContact O-N 3.42Å
187	C	98.8	Very high	98.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.5	-42.4	175.7	-60.3	0	0	0	0	111.7	P182 S184 M185 Y189 A190 Q191 F211 C214	P182-C187 VanDerWaalsContact C-SG 3.58Å; P182-C187 HydrophobicContact CB-CB 4.24Å; P182-C187 HydrophobicContact CG-CB 4.39Å; P182-C187 PolarHBondContact O-SG 3.01Å; P182-C187 VanDerWaalsContact O-SG 3.38Å; S184-C187 WeakPolarHBondContact O-CB 3.28Å; S184-C187 PolarHBondContact O-N 3.25Å; S184-C187 PolarHBondContact O-SG 3.21Å; M185-C187 PolarHBondContact O-N 2.72Å; M185-C187 VanDerWaalsContact O-N 3.08Å; C187-Y189 VanDerWaalsContact C-N 3.33Å; C187-A190 PolarHBondContact O-N 3.07Å; C187-Q191 WeakPolarHBondContact O-CG 3.41Å; C187-Q191 PolarHBondContact O-N 3.28Å; C187-F211 HydrophobicContact CB-CD1 3.53Å; C187-F211 HydrophobicContact CB-CE1 3.92Å; C187-C214 HydrophobicContact CB-CB 3.55Å; C187-C214 WeakPolarHBondContact CB-SG 3.4Å; C187-C214 VanDerWaalsContact SG-CB 3.6Å
188	L	98.6	Very high	98.5	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-68.8	-34.9	176	-61.3	-174	0	0	0	111.3	M185 Q191 W192 P215 F254 L255 V304	M185-L188 PolarHBondContact O-N 2.71Å; L188-Q191 PolarHBondContact O-N 3.41Å; L188-W192 WeakPolarHBondContact O-CB 3.46Å; L188-W192 PolarHBondContact O-N 3.05Å; L188-P215 HydrophobicContact CD1-CG 4.48Å; L188-F254 HydrophobicContact CB-CE1 3.85Å; L188-F254 HydrophobicContact CB-CZ 3.83Å; L188-F254 HydrophobicContact CD1-CE1 3.83Å; L188-F254 HydrophobicContact CD1-CZ 3.96Å; L188-L255 HydrophobicContact CD1-CD2 3.55Å; L188-V304 HydrophobicContact CB-CG1 4.01Å; L188-V304 HydrophobicContact CD2-CG1 4.38Å
189	Y	98.6	Very high	98.4	Very high	6 Å²	6	25.8 Å²	25.8	2%	0.024	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-43.5	170.4	-91.5	-97.6	0	0	0	112.6	Y146 K150 A151 P152 N155 L158 M185 G186 C187 Q191 W192 F193	Y146-Y189 HydrophobicContact CD2-CD1 4.39Å; Y146-Y189 AromaticContact CD2-CE1 3.89Å; Y146-Y189 HydrophobicContact CD2-CE1 3.89Å; Y146-Y189 HydrophobicContact CD2-CE2 4.26Å; Y146-Y189 AromaticContact CD2-CZ 3.8Å; Y146-Y189 HydrophobicContact CE2-CD1 4.27Å; Y146-Y189 AromaticContact CE2-CD2 3.89Å; Y146-Y189 HydrophobicContact CE2-CD2 3.89Å; Y146-Y189 AromaticContact CE2-CE1 3.95Å; Y146-Y189 HydrophobicContact CE2-CE1 3.95Å; Y146-Y189 AromaticContact CE2-CE2 3.54Å; Y146-Y189 HydrophobicContact CE2-CE2 3.54Å; Y146-Y189 HydrophobicContact CE2-CG 4.23Å; Y146-Y189 AromaticContact CE2-CZ 3.56Å; Y146-Y189 HydrophobicContact CG-CE1 4.49Å; Y146-Y189 AromaticContact CZ-CD2 3.93Å; K150-Y189 PolarHBondContact O-OH 3.44Å; A151-Y189 WeakPolarHBondContact CA-OH 3.31Å; A151-Y189 PolarHBondContact O-OH 2.85Å; P152-Y189 HydrophobicContact CB-CD1 4.41Å; P152-Y189 HydrophobicContact CB-CE1 4.05Å; P152-Y189 HydrophobicContact CG-CD1 4.11Å; P152-Y189 HydrophobicContact CG-CD2 4.16Å; P152-Y189 HydrophobicContact CG-CE1 3.86Å; P152-Y189 HydrophobicContact CG-CE2 3.91Å; P152-Y189 HydrophobicContact CG-CG 4.27Å; N155-Y189 HydrophobicContact CB-CE1 4.35Å; N155-Y189 PolarHBondContact ND2-OH 3.32Å; L158-Y189 HydrophobicContact CD2-CD1 3.5Å; L158-Y189 VanDerWaalsContact CD2-CD1 3.5Å; L158-Y189 HydrophobicContact CD2-CE1 3.48Å; L158-Y189 VanDerWaalsContact CD2-CE1 3.48Å; M185-Y189 HydrophobicContact CE-CE2 4.07Å; M185-Y189 HydrophobicContact CG-CD2 4.07Å; M185-Y189 HydrophobicContact CG-CE2 4.14Å; M185-Y189 PolarHBondContact O-N 2.92Å; M185-Y189 HydrophobicContact SD-CE2 4.27Å; G186-Y189 WeakPolarHBondContact O-CB 3.29Å; G186-Y189 PolarHBondContact O-N 3.5Å; C187-Y189 VanDerWaalsContact C-N 3.33Å; Y189-Q191 VanDerWaalsContact C-N 3.33Å; Y189-Q191 PolarHBondContact O-N 2.95Å; Y189-W192 PolarHBondContact O-N 2.99Å; Y189-F193 WeakPolarHBondContact O-CB 3.18Å; Y189-F193 PolarHBondContact O-N 2.96Å
190	A	98.7	Very high	98.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-42.7	175.1	0	0	0	0	0	111.2	I38 P182 G186 C187 F193 L194 L209	I38-A190 HydrophobicContact CD1-CB 3.87Å; P182-A190 HydrophobicContact CB-CB 3.91Å; P182-A190 HydrophobicContact CG-CB 3.87Å; G186-A190 WeakPolarHBondContact O-CB 3.11Å; G186-A190 PolarHBondContact O-N 3.42Å; C187-A190 PolarHBondContact O-N 3.07Å; A190-F193 PolarHBondContact O-N 3.37Å; A190-L194 WeakPolarHBondContact O-CB 3.38Å; A190-L194 VanDerWaalsContact O-CG 3.24Å; A190-L194 WeakPolarHBondContact O-CG 3.4Å; A190-L194 PolarHBondContact O-N 3.27Å; A190-L209 HydrophobicContact CB-CD1 4.4Å
191	Q	98.3	Very high	98.4	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-63.3	-47.1	175.8	-72.1	-169.3	86.7	0	0	112	C187 L188 Y189 F193 L194 K195 F211 V304 E308 P310	C187-Q191 WeakPolarHBondContact O-CG 3.41Å; C187-Q191 PolarHBondContact O-N 3.28Å; L188-Q191 PolarHBondContact O-N 3.41Å; Y189-Q191 VanDerWaalsContact C-N 3.33Å; Y189-Q191 PolarHBondContact O-N 2.95Å; Q191-F193 VanDerWaalsContact C-N 3.28Å; Q191-F193 PolarHBondContact O-N 3.4Å; Q191-L194 PolarHBondContact O-N 3.02Å; Q191-K195 WeakPolarHBondContact O-CB 3.37Å; Q191-K195 PolarHBondContact O-N 3.31Å; Q191-F211 HydrophobicContact CG-CE1 3.81Å; Q191-F211 HydrophobicContact CG-CZ 3.6Å; Q191-V304 HydrophobicContact CB-CG2 3.64Å; Q191-E308 PolarHBondContact OE1-O 3.45Å; Q191-P310 HydrophobicContact CG-CG 4.13Å
192	W	98.1	Very high	98.4	Very high	20 Å²	20	31.6 Å²	31.6	8%	0.076	16%	0.155	C	C	.	.	H	α-helix	trans	-55.6	-43.5	174.7	169.3	88.7	0	0	0	112.1	P152 F159 L188 Y189 K196 V304	P152-W192 HydrophobicContact CB-CB 4.41Å; P152-W192 HydrophobicContact CB-CD2 3.56Å; P152-W192 VanDerWaalsContact CB-CE2 3.49Å; P152-W192 HydrophobicContact CB-CE3 4.16Å; P152-W192 HydrophobicContact CB-CG 3.68Å; P152-W192 HydrophobicContact CB-CZ2 4Å; P152-W192 HydrophobicContact CG-CB 4.39Å; P152-W192 HydrophobicContact CG-CD2 4.42Å; P152-W192 HydrophobicContact CG-CG 4.15Å; P152-W192 WeakPolarHBondContact O-CZ2 3.23Å; F159-W192 HydrophobicContact CB-CH2 3.94Å; F159-W192 HydrophobicContact CB-CZ3 4.19Å; L188-W192 WeakPolarHBondContact O-CB 3.46Å; L188-W192 PolarHBondContact O-N 3.05Å; Y189-W192 PolarHBondContact O-N 2.99Å; W192-K196 HydrophobicContact CZ2-CD 4.38Å; W192-V304 HydrophobicContact CB-CB 4.24Å; W192-V304 HydrophobicContact CB-CG2 4.34Å
193	F	98.4	Very high	98.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.1	-50.6	177.4	168	-102.2	0	0	0	112	F159 L162 K163 I166 Y189 A190 Q191 K195 K196 C197 W201	F159-F193 AromaticContact CD2-CD2 3.57Å; F159-F193 HydrophobicContact CD2-CD2 3.57Å; F159-F193 AromaticContact CD2-CE2 3.89Å; F159-F193 HydrophobicContact CD2-CE2 3.89Å; F159-F193 AromaticContact CE2-CD2 3.9Å; F159-F193 HydrophobicContact CE2-CD2 3.9Å; F159-F193 AromaticContact CE2-CE2 3.92Å; F159-F193 HydrophobicContact CE2-CE2 3.92Å; F159-F193 HydrophobicContact CG-CD2 4.45Å; L162-F193 HydrophobicContact CB-CD2 4.18Å; L162-F193 HydrophobicContact CB-CE2 4.1Å; L162-F193 HydrophobicContact CD2-CB 3.99Å; L162-F193 HydrophobicContact CD2-CD1 3.91Å; L162-F193 HydrophobicContact CD2-CD2 3.82Å; L162-F193 HydrophobicContact CD2-CE1 4.38Å; L162-F193 HydrophobicContact CD2-CE2 4.3Å; L162-F193 HydrophobicContact CD2-CG 3.61Å; L162-F193 HydrophobicContact CG-CD1 4.37Å; L162-F193 HydrophobicContact CG-CD2 4.1Å; L162-F193 HydrophobicContact CG-CE1 4.35Å; L162-F193 HydrophobicContact CG-CE2 4.08Å; L162-F193 HydrophobicContact CG-CG 4.26Å; L162-F193 HydrophobicContact CG-CZ 4.21Å; K163-F193 HydrophobicContact CB-CE2 3.94Å; K163-F193 HydrophobicContact CB-CZ 4.15Å; I166-F193 HydrophobicContact CD1-CD1 4.49Å; I166-F193 HydrophobicContact CD1-CE1 3.54Å; I166-F193 HydrophobicContact CD1-CZ 3.79Å; Y189-F193 WeakPolarHBondContact O-CB 3.18Å; Y189-F193 PolarHBondContact O-N 2.96Å; A190-F193 PolarHBondContact O-N 3.37Å; Q191-F193 VanDerWaalsContact C-N 3.28Å; Q191-F193 PolarHBondContact O-N 3.4Å; F193-K195 VanDerWaalsContact C-N 3.3Å; F193-K195 PolarHBondContact O-N 2.97Å; F193-K196 PolarHBondContact O-N 3.26Å; F193-K196 VanDerWaalsContact O-N 3.13Å; F193-C197 WeakPolarHBondContact CZ-SG 3.43Å; F193-C197 PolarHBondContact O-N 3.39Å; F193-C197 PolarHBondContact O-SG 2.98Å; F193-W201 AromaticContact CE1-CH2 3.83Å; F193-W201 HydrophobicContact CE1-CH2 3.83Å; F193-W201 AromaticContact CE1-CZ3 3.92Å; F193-W201 HydrophobicContact CE1-CZ3 3.92Å; F193-W201 AromaticContact CZ-CH2 3.62Å; F193-W201 HydrophobicContact CZ-CH2 3.62Å; F193-W201 HydrophobicContact CZ-CZ2 4.34Å; F193-W201 HydrophobicContact CZ-CZ3 4.01Å
194	L	98.4	Very high	98.3	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-68.1	-27.9	-176.6	-70.4	173.1	0	0	0	113.2	L180 A190 Q191 K196 C197 K202 I206 L209 I313	L180-L194 HydrophobicContact CD1-CD1 4.35Å; L180-L194 HydrophobicContact CD1-CD2 4.19Å; A190-L194 WeakPolarHBondContact O-CB 3.38Å; A190-L194 VanDerWaalsContact O-CG 3.24Å; A190-L194 WeakPolarHBondContact O-CG 3.4Å; A190-L194 PolarHBondContact O-N 3.27Å; Q191-L194 PolarHBondContact O-N 3.02Å; L194-K196 PolarHBondContact O-N 2.87Å; L194-C197 PolarHBondContact O-N 2.96Å; L194-K202 HydrophobicContact CB-CD 4.32Å; L194-K202 HydrophobicContact CD2-CD 4.06Å; L194-K202 HydrophobicContact CD2-CG 4.1Å; L194-K202 PolarHBondContact O-NZ 2.7Å; L194-I206 HydrophobicContact CD2-CG1 4.22Å; L194-L209 HydrophobicContact CD1-CD1 4.16Å; L194-L209 HydrophobicContact CD1-CD2 3.59Å; L194-L209 HydrophobicContact CD1-CG 4.42Å; L194-I313 HydrophobicContact CD1-CG1 4.45Å; L194-I313 HydrophobicContact CD2-CD1 4.35Å
195	K	97.2	Very high	98.3	Very high	123 Å²	123	41.7 Å²	41.7	54%	0.535	20%	0.197	S	C	.	.	H	α-helix	trans	-64.9	-29.7	173.7	-173.2	163.1	-175.8	159	0	112.3	Q191 F193 E308	Q191-K195 WeakPolarHBondContact O-CB 3.37Å; Q191-K195 PolarHBondContact O-N 3.31Å; F193-K195 VanDerWaalsContact C-N 3.3Å; F193-K195 PolarHBondContact O-N 2.97Å; K195-E308 IonicContact NZ-OE2 3.65Å; K195-E308 PolarHBondContact NZ-OE2 2.68Å
196	K	97	Very high	98.3	Very high	112 Å²	112	42.3 Å²	42.3	49%	0.487	20%	0.2	S	C	.	.	H	α-helix	trans	-86	-15.3	176.7	-66.4	177.8	174.8	-168.2	0	113.8	F159 W192 F193 L194	F159-K196 HydrophobicContact CD2-CB 3.9Å; F159-K196 HydrophobicContact CD2-CD 3.91Å; F159-K196 HydrophobicContact CE2-CB 3.42Å; F159-K196 VanDerWaalsContact CE2-CB 3.42Å; F159-K196 HydrophobicContact CE2-CD 4.28Å; F159-K196 HydrophobicContact CZ-CB 4.13Å; W192-K196 HydrophobicContact CZ2-CD 4.38Å; F193-K196 PolarHBondContact O-N 3.26Å; F193-K196 VanDerWaalsContact O-N 3.13Å; L194-K196 PolarHBondContact O-N 2.87Å
197	C	98.2	Very high	98.3	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.074	21%	0.214	C	C	.	.	S	Bend	trans	-84.3	139.4	179.3	-64.7	0	0	0	0	111.3	F193 L194 W201 K202	F193-C197 WeakPolarHBondContact CZ-SG 3.43Å; F193-C197 PolarHBondContact O-N 3.39Å; F193-C197 PolarHBondContact O-SG 2.98Å; L194-C197 PolarHBondContact O-N 2.96Å; C197-W201 HydrophobicContact CB-CD2 4.48Å; C197-W201 HydrophobicContact CB-CE3 3.76Å; C197-W201 HydrophobicContact CB-CZ3 4.23Å; C197-K202 HydrophobicContact CB-CD 4.17Å; C197-K202 HydrophobicContact CB-CG 3.86Å; C197-K202 WeakPolarHBondContact O-CE 3.5Å; C197-K202 PolarHBondContact O-NZ 2.89Å
198	E	98.2	Very high	98.3	Very high	147 Å²	147	45.6 Å²	45.6	69%	0.687	21%	0.214	S	C	*	.			trans	-66	150.3	173.6	-58.7	-178.2	172.4	0	0	111.6	W201 K202	E198-W201 WeakPolarHBondContact O-CB 3.27Å; E198-W201 PolarHBondContact O-N 3.2Å; E198-K202 PolarHBondContact O-N 3.12Å
199	I	98.4	Very high	98.3	Very high	90 Å²	90	45.2 Å²	45.2	46%	0.462	21%	0.212	S	C	.	.	H	α-helix	trans	-58	-46.8	179.5	-65.3	173.8	0	0	0	112	W201 K202 K203	I199-W201 VanDerWaalsContact C-N 3.28Å; I199-W201 PolarHBondContact O-N 3.22Å; I199-K202 PolarHBondContact O-N 3.34Å; I199-K202 VanDerWaalsContact O-N 3.15Å; I199-K203 HydrophobicContact CG2-CG 4.12Å; I199-K203 VanDerWaalsContact O-CG 3.31Å; I199-K203 WeakPolarHBondContact O-CG 3.39Å; I199-K203 PolarHBondContact O-N 3.49Å
200	P	98.5	Very high	98.3	Very high	94 Å²	94	44.9 Å²	44.9	61%	0.61	21%	0.211	S	C	*	.	H	α-helix	trans	-59	-37.7	178	-25.9	36.3	0	0	0	113.4	K203 K204	P200-K203 PolarHBondContact O-N 3.08Å; P200-K204 PolarHBondContact O-N 2.78Å; P200-K204 VanDerWaalsContact O-N 3.08Å
201	W	98.6	Very high	98.4	Very high	24 Å²	24	45 Å²	45	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-49.1	175.1	-174.9	94.5	0	0	0	110.8	K163 I166 E167 F193 C197 E198 I199 K203 K204 Y205 I206	K163-W201 HydrophobicContact CG-CH2 4.5Å; K163-W201 HydrophobicContact CG-CZ2 3.63Å; I166-W201 HydrophobicContact CB-CH2 4.12Å; I166-W201 HydrophobicContact CB-CZ2 4.28Å; I166-W201 HydrophobicContact CD1-CH2 3.9Å; I166-W201 HydrophobicContact CG2-CH2 3.73Å; I166-W201 HydrophobicContact CG2-CZ2 3.99Å; E167-W201 HydrophobicContact CG-CZ2 4.25Å; E167-W201 PolarHBondContact OE1-NE1 2.9Å; F193-W201 AromaticContact CE1-CH2 3.83Å; F193-W201 HydrophobicContact CE1-CH2 3.83Å; F193-W201 AromaticContact CE1-CZ3 3.92Å; F193-W201 HydrophobicContact CE1-CZ3 3.92Å; F193-W201 AromaticContact CZ-CH2 3.62Å; F193-W201 HydrophobicContact CZ-CH2 3.62Å; F193-W201 HydrophobicContact CZ-CZ2 4.34Å; F193-W201 HydrophobicContact CZ-CZ3 4.01Å; C197-W201 HydrophobicContact CB-CD2 4.48Å; C197-W201 HydrophobicContact CB-CE3 3.76Å; C197-W201 HydrophobicContact CB-CZ3 4.23Å; E198-W201 WeakPolarHBondContact O-CB 3.27Å; E198-W201 PolarHBondContact O-N 3.2Å; I199-W201 VanDerWaalsContact C-N 3.28Å; I199-W201 PolarHBondContact O-N 3.22Å; W201-K203 VanDerWaalsContact C-N 3.32Å; W201-K203 PolarHBondContact O-N 2.96Å; W201-K204 PolarHBondContact O-N 3.39Å; W201-K204 VanDerWaalsContact O-N 3.14Å; W201-Y205 AromaticContact CD1-CD2 3.46Å; W201-Y205 VanDerWaalsContact CD1-CD2 3.46Å; W201-Y205 AromaticContact CD1-CE2 3.48Å; W201-Y205 VanDerWaalsContact CD1-CE2 3.48Å; W201-Y205 AromaticContact CD2-CD2 3.76Å; W201-Y205 HydrophobicContact CD2-CD2 3.76Å; W201-Y205 HydrophobicContact CD2-CG 4.48Å; W201-Y205 AromaticContact CE2-CD2 3.46Å; W201-Y205 VanDerWaalsContact CE2-CD2 3.46Å; W201-Y205 AromaticContact CG-CD2 3.75Å; W201-Y205 HydrophobicContact CG-CD2 3.75Å; W201-Y205 HydrophobicContact CG-CE2 4.17Å; W201-Y205 HydrophobicContact CZ2-CD2 4.08Å; W201-Y205 HydrophobicContact CZ2-CG 4.18Å; W201-Y205 AromaticContact NE1-CD2 3.29Å; W201-Y205 VanDerWaalsContact NE1-CD2 3.29Å; W201-Y205 AromaticContact NE1-CE2 3.42Å; W201-Y205 VanDerWaalsContact O-CD2 3.3Å; W201-Y205 WeakPolarHBondContact O-CD2 3.34Å; W201-Y205 PolarHBondContact O-N 3.37Å; W201-I206 HydrophobicContact CH2-CD1 4.12Å; W201-I206 HydrophobicContact CZ3-CD1 3.96Å; W201-I206 HydrophobicContact CZ3-CG1 4.02Å
202	K	98.7	Very high	98.4	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-43.5	178.1	-74.6	-176.9	-73.8	-163.8	0	112.1	L194 C197 E198 I199 K204 I206 T311 I313	L194-K202 HydrophobicContact CB-CD 4.32Å; L194-K202 HydrophobicContact CD2-CD 4.06Å; L194-K202 HydrophobicContact CD2-CG 4.1Å; L194-K202 PolarHBondContact O-NZ 2.7Å; C197-K202 HydrophobicContact CB-CD 4.17Å; C197-K202 HydrophobicContact CB-CG 3.86Å; C197-K202 WeakPolarHBondContact O-CE 3.5Å; C197-K202 PolarHBondContact O-NZ 2.89Å; E198-K202 PolarHBondContact O-N 3.12Å; I199-K202 PolarHBondContact O-N 3.34Å; I199-K202 VanDerWaalsContact O-N 3.15Å; K202-K204 VanDerWaalsContact C-N 3.33Å; K202-K204 PolarHBondContact O-N 2.95Å; K202-I206 WeakPolarHBondContact O-CB 3.3Å; K202-I206 PolarHBondContact O-N 2.9Å; K202-T311 VanDerWaalsContact CE-O 3.24Å; K202-T311 WeakPolarHBondContact CE-O 3.13Å; K202-T311 PolarHBondContact NZ-O 3.27Å; K202-I313 HydrophobicContact CB-CD1 3.81Å; K202-I313 HydrophobicContact CD-CD1 4.03Å; K202-I313 HydrophobicContact CD-CG1 4.45Å; K202-I313 HydrophobicContact CG-CD1 4.09Å
203	K	98.1	Very high	98.4	Very high	102 Å²	102	43.6 Å²	43.6	44%	0.443	21%	0.206	S	C	.	.	H	α-helix	trans	-63.9	-33.6	177.6	-68.6	-69.5	-169.4	164.6	0	113.6	I199 P200 W201 D314	I199-K203 HydrophobicContact CG2-CG 4.12Å; I199-K203 VanDerWaalsContact O-CG 3.31Å; I199-K203 WeakPolarHBondContact O-CG 3.39Å; I199-K203 PolarHBondContact O-N 3.49Å; P200-K203 PolarHBondContact O-N 3.08Å; W201-K203 VanDerWaalsContact C-N 3.32Å; W201-K203 PolarHBondContact O-N 2.96Å; K203-D314 IonicContact NZ-OD1 2.57Å; K203-D314 PolarHBondContact NZ-OD1 3.28Å; K203-D314 IonicContact NZ-OD2 2.68Å; K203-D314 PolarHBondContact NZ-OD2 3.38Å
204	K	98.2	Very high	98.4	Very high	98 Å²	98	43.8 Å²	43.8	43%	0.426	21%	0.206	S	C	.	.	H	α-helix	trans	-77.3	-45.9	178.2	179.7	176.1	175.5	-168.1	0	112.1	P200 W201 K202	P200-K204 PolarHBondContact O-N 2.78Å; P200-K204 VanDerWaalsContact O-N 3.08Å; W201-K204 PolarHBondContact O-N 3.39Å; W201-K204 VanDerWaalsContact O-N 3.14Å; K202-K204 VanDerWaalsContact C-N 3.33Å; K202-K204 PolarHBondContact O-N 2.95Å
205	Y	98.8	Very high	98.4	Very high	25 Å²	25	43.9 Å²	43.9	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-101	-21.2	-165.1	-68.9	-73.6	0	0	0	114.6	E167 Y170 P177 V178 W201	E167-Y205 HydrophobicContact CB-CE1 4.21Å; E167-Y205 HydrophobicContact CG-CD1 4.16Å; E167-Y205 HydrophobicContact CG-CE1 3.78Å; E167-Y205 HydrophobicContact CG-CE2 4.21Å; Y170-Y205 HydrophobicContact CD1-CD1 4.05Å; Y170-Y205 AromaticContact CD1-CE1 3.69Å; Y170-Y205 HydrophobicContact CD1-CE1 3.69Å; Y170-Y205 AromaticContact CD2-CD1 4Å; Y170-Y205 HydrophobicContact CD2-CD1 4Å; Y170-Y205 HydrophobicContact CD2-CE1 4.43Å; Y170-Y205 HydrophobicContact CE1-CE1 4.13Å; Y170-Y205 AromaticContact CG-CD1 3.7Å; Y170-Y205 HydrophobicContact CG-CD1 3.7Å; Y170-Y205 AromaticContact CG-CE1 3.85Å; Y170-Y205 HydrophobicContact CG-CE1 3.85Å; P177-Y205 CarbonylContact C-O 3.59Å; V178-Y205 PolarHBondContact N-O 3.11Å; W201-Y205 AromaticContact CD1-CD2 3.46Å; W201-Y205 VanDerWaalsContact CD1-CD2 3.46Å; W201-Y205 AromaticContact CD1-CE2 3.48Å; W201-Y205 VanDerWaalsContact CD1-CE2 3.48Å; W201-Y205 AromaticContact CD2-CD2 3.76Å; W201-Y205 HydrophobicContact CD2-CD2 3.76Å; W201-Y205 HydrophobicContact CD2-CG 4.48Å; W201-Y205 AromaticContact CE2-CD2 3.46Å; W201-Y205 VanDerWaalsContact CE2-CD2 3.46Å; W201-Y205 AromaticContact CG-CD2 3.75Å; W201-Y205 HydrophobicContact CG-CD2 3.75Å; W201-Y205 HydrophobicContact CG-CE2 4.17Å; W201-Y205 HydrophobicContact CZ2-CD2 4.08Å; W201-Y205 HydrophobicContact CZ2-CG 4.18Å; W201-Y205 AromaticContact NE1-CD2 3.29Å; W201-Y205 VanDerWaalsContact NE1-CD2 3.29Å; W201-Y205 AromaticContact NE1-CE2 3.42Å; W201-Y205 VanDerWaalsContact O-CD2 3.3Å; W201-Y205 WeakPolarHBondContact O-CD2 3.34Å; W201-Y205 PolarHBondContact O-N 3.37Å
206	I	98.7	Very high	98.5	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.062	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.4	-175	-49.1	-55.9	0	0	0	110.5	I166 V178 L180 L194 W201 K202 I313	I166-I206 HydrophobicContact CD1-CD1 4.35Å; I166-I206 HydrophobicContact CG2-CD1 3.94Å; V178-I206 WeakPolarHBondContact O-CA 3.42Å; L180-I206 HydrophobicContact CD1-CD1 3.73Å; L180-I206 HydrophobicContact CD1-CG1 4.48Å; L180-I206 HydrophobicContact CD1-CG2 4.43Å; L180-I206 HydrophobicContact CD2-CD1 4.41Å; L180-I206 HydrophobicContact CG-CD1 3.95Å; L180-I206 HydrophobicContact CG-CG2 4.41Å; L194-I206 HydrophobicContact CD2-CG1 4.22Å; W201-I206 HydrophobicContact CH2-CD1 4.12Å; W201-I206 HydrophobicContact CZ3-CD1 3.96Å; W201-I206 HydrophobicContact CZ3-CG1 4.02Å; K202-I206 WeakPolarHBondContact O-CB 3.3Å; K202-I206 PolarHBondContact O-N 2.9Å; I206-I313 HydrophobicContact CB-CD1 3.78Å; I206-I313 HydrophobicContact CG1-CD1 4.11Å; I206-I313 HydrophobicContact CG2-CD1 3.77Å
207	K	98.3	Very high	98.5	Very high	69 Å²	69	33.1 Å²	33.1	30%	0.3	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-54	176.1	173.6	54.7	-170	173.3	0	110.8	Y33 P177 V178 V179	Y33-K207 HydrophobicContact CD1-CB 4.17Å; Y33-K207 HydrophobicContact CD1-CD 4.05Å; Y33-K207 HydrophobicContact CD1-CG 3.72Å; Y33-K207 HydrophobicContact CD2-CG 4.17Å; Y33-K207 HydrophobicContact CE1-CD 3.64Å; Y33-K207 HydrophobicContact CE1-CG 3.87Å; Y33-K207 HydrophobicContact CE2-CD 4.27Å; Y33-K207 HydrophobicContact CE2-CG 4.32Å; Y33-K207 HydrophobicContact CG-CG 3.87Å; P177-K207 HydrophobicContact CB-CB 3.85Å; P177-K207 HydrophobicContact CG-CB 3.92Å; P177-K207 HydrophobicContact CG-CD 4.28Å; P177-K207 WeakPolarHBondContact O-CB 3.21Å; V178-K207 PolarHBondContact O-N 3.06Å; V179-K207 HydrophobicContact CG2-CB 4.08Å; V179-K207 HydrophobicContact CG2-CG 4.05Å
208	S	98.6	Very high	98.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	147.7	-177.7	-47.9	0	0	0	0	109.8	V179 L180 D315	V179-S208 WeakPolarHBondContact CA-O 3.14Å; L180-S208 PolarHBondContact N-O 2.93Å; S208-D315 CarbonylContact C-O 3.54Å; S208-D315 VanDerWaalsContact CA-O 3.27Å; S208-D315 WeakPolarHBondContact CA-O 3.41Å; S208-D315 WeakPolarHBondContact CB-OD2 3.4Å; S208-D315 PolarHBondContact OG-OD2 3.33Å
209	L	98.9	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119	169.4	176.9	60.9	0	0	0	109.2	L180 P182 A190 L194 F211 P310 I313 D315 I316 H317	L180-L209 HydrophobicContact CB-CD1 3.88Å; L180-L209 HydrophobicContact CD1-CD1 4.48Å; P182-L209 HydrophobicContact CG-CD1 3.96Å; A190-L209 HydrophobicContact CB-CD1 4.4Å; L194-L209 HydrophobicContact CD1-CD1 4.16Å; L194-L209 HydrophobicContact CD1-CD2 3.59Å; L194-L209 HydrophobicContact CD1-CG 4.42Å; L209-F211 HydrophobicContact CD1-CE1 4.23Å; L209-F211 HydrophobicContact CD1-CZ 4.37Å; L209-F211 HydrophobicContact CD2-CE1 4.01Å; L209-F211 HydrophobicContact CD2-CE2 3.61Å; L209-F211 HydrophobicContact CD2-CZ 3.33Å; L209-F211 HydrophobicContact CG-CD2 4.4Å; L209-F211 HydrophobicContact CG-CE1 4.17Å; L209-F211 HydrophobicContact CG-CE2 3.95Å; L209-F211 HydrophobicContact CG-CZ 3.86Å; L209-P310 HydrophobicContact CD2-CB 4.18Å; L209-P310 HydrophobicContact CD2-CG 3.86Å; L209-I313 HydrophobicContact CB-CG2 4.09Å; L209-D315 PolarHBondContact N-O 2.94Å; L209-I316 WeakPolarHBondContact O-CA 3.29Å; L209-H317 PolarHBondContact O-N 3.34Å
210	V	98.9	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	93.5	-173.4	-171.7	0	0	0	0	110.1	V179 L180 L181 P182 S212 H317 I319 I395 I398	V179-V210 HydrophobicContact CG1-CG2 3.83Å; L180-V210 PolarHBondContact O-N 3.18Å; L181-V210 HydrophobicContact CD1-CB 3.91Å; L181-V210 HydrophobicContact CD1-CG1 3.82Å; L181-V210 WeakPolarHBondContact CD1-O 3.14Å; P182-V210 VanDerWaalsContact CD-O 3.32Å; P182-V210 WeakPolarHBondContact CD-O 3.34Å; V210-S212 PolarHBondContact O-N 3.3Å; V210-H317 HydrophobicContact CB-CB 4.33Å; V210-H317 HydrophobicContact CG1-CB 3.96Å; V210-H317 HydrophobicContact CG2-CB 4.18Å; V210-I319 HydrophobicContact CG1-CD1 3.61Å; V210-I319 HydrophobicContact CG1-CG1 4.3Å; V210-I395 HydrophobicContact CB-CD1 4.46Å; V210-I395 HydrophobicContact CG1-CD1 3.52Å; V210-I398 HydrophobicContact CG1-CD1 4.09Å; V210-I398 HydrophobicContact CG2-CD1 3.86Å; V210-I398 HydrophobicContact CG2-CG2 4.02Å
211	F	98.9	Very high	98.3	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	123.2	175.4	-66.3	-61.2	0	0	0	110.6	P182 C187 Q191 L209 C214 F216 P310 I316 H317 I319 W369	P182-F211 HydrophobicContact CG-CD1 3.83Å; P182-F211 HydrophobicContact CG-CE1 4.22Å; C187-F211 HydrophobicContact CB-CD1 3.53Å; C187-F211 HydrophobicContact CB-CE1 3.92Å; Q191-F211 HydrophobicContact CG-CE1 3.81Å; Q191-F211 HydrophobicContact CG-CZ 3.6Å; L209-F211 HydrophobicContact CD1-CE1 4.23Å; L209-F211 HydrophobicContact CD1-CZ 4.37Å; L209-F211 HydrophobicContact CD2-CE1 4.01Å; L209-F211 HydrophobicContact CD2-CE2 3.61Å; L209-F211 HydrophobicContact CD2-CZ 3.33Å; L209-F211 HydrophobicContact CG-CD2 4.4Å; L209-F211 HydrophobicContact CG-CE1 4.17Å; L209-F211 HydrophobicContact CG-CE2 3.95Å; L209-F211 HydrophobicContact CG-CZ 3.86Å; F211-C214 HydrophobicContact CB-CB 4.06Å; F211-C214 HydrophobicContact CD1-CB 4.35Å; F211-C214 HydrophobicContact CG-CB 4.41Å; F211-F216 HydrophobicContact CB-CZ 4Å; F211-F216 HydrophobicContact CD1-CE1 4.35Å; F211-F216 HydrophobicContact CD1-CZ 4.48Å; F211-F216 AromaticContact CD2-CE1 3.91Å; F211-F216 HydrophobicContact CD2-CE1 3.91Å; F211-F216 AromaticContact CD2-CZ 3.73Å; F211-F216 HydrophobicContact CD2-CZ 3.73Å; F211-F216 HydrophobicContact CE1-CE1 4.42Å; F211-F216 AromaticContact CE2-CE1 4Å; F211-F216 HydrophobicContact CE2-CE1 4Å; F211-F216 HydrophobicContact CE2-CZ 4.26Å; F211-F216 HydrophobicContact CG-CE1 4.07Å; F211-F216 AromaticContact CG-CZ 3.82Å; F211-F216 HydrophobicContact CG-CZ 3.82Å; F211-F216 HydrophobicContact CZ-CE1 4.23Å; F211-P310 HydrophobicContact CE2-CG 4.24Å; F211-P310 HydrophobicContact CZ-CG 3.98Å; F211-I316 HydrophobicContact CD2-CG2 3.94Å; F211-I316 HydrophobicContact CE2-CG2 3.83Å; F211-H317 PolarHBondContact N-O 3.06Å; F211-I319 PolarHBondContact O-N 2.88Å; F211-W369 HydrophobicContact CD2-CZ3 4.34Å; F211-W369 HydrophobicContact CE2-CH2 4.37Å; F211-W369 AromaticContact CE2-CZ3 3.88Å; F211-W369 HydrophobicContact CE2-CZ3 3.88Å
212	S	98.8	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.5	172.2	-61	0	0	0	0	110.5	L181 P182 H183 S184 V210 C214 I319 H391	L181-S212 VanDerWaalsContact CD1-OG 3.3Å; L181-S212 WeakPolarHBondContact CD1-OG 3.32Å; P182-S212 PolarHBondContact O-N 3.3Å; H183-S212 WeakPolarHBondContact CA-O 3.16Å; H183-S212 PolarHBondContact CD2-O 2.84Å; S184-S212 PolarHBondContact N-O 2.94Å; V210-S212 PolarHBondContact O-N 3.3Å; S212-C214 VanDerWaalsContact C-N 3.3Å; S212-C214 PolarHBondContact O-N 3.48Å; S212-I319 CarbonylContact C-O 3.54Å; S212-I319 WeakPolarHBondContact CA-O 3.45Å; S212-H391 PolarHBondContact OG-NE2 3.41Å
213	S	98.8	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	50.2	46.3	-179.3	-65.4	0	0	0	0	113.7	S184 P215 I319 D355 H382	S184-S213 WeakPolarHBondContact CA-O 3.43Å; S213-P215 WeakPolarHBondContact O-CD 3.18Å; S213-I319 PolarHBondContact N-O 3.33Å; S213-D355 WeakPolarHBondContact CB-OD2 3.26Å; S213-D355 PolarHBondContact OG-OD2 3.09Å; S213-H382 PolarHBondContact O-CE1 2.87Å
214	C	98.8	Very high	98.1	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.02	7%	0.069	C	C	.	.			trans	-71.6	125.6	-177.4	-179.3	0	0	0	0	112	C187 F211 S212 F216	C187-C214 HydrophobicContact CB-CB 3.55Å; C187-C214 WeakPolarHBondContact CB-SG 3.4Å; C187-C214 VanDerWaalsContact SG-CB 3.6Å; F211-C214 HydrophobicContact CB-CB 4.06Å; F211-C214 HydrophobicContact CD1-CB 4.35Å; F211-C214 HydrophobicContact CG-CB 4.41Å; S212-C214 VanDerWaalsContact C-N 3.3Å; S212-C214 PolarHBondContact O-N 3.48Å; C214-F216 HydrophobicContact CB-CD1 4.17Å; C214-F216 HydrophobicContact CB-CD2 3.97Å; C214-F216 HydrophobicContact CB-CE1 3.83Å; C214-F216 HydrophobicContact CB-CE2 3.61Å; C214-F216 HydrophobicContact CB-CG 4.24Å; C214-F216 HydrophobicContact CB-CZ 3.55Å; C214-F216 PolarHBondContact O-N 3.22Å; C214-F216 WeakPolarHBondContact SG-CD1 3.29Å; C214-F216 WeakPolarHBondContact SG-CE1 3.44Å
215	P	98.6	Very high	98	Very high	4 Å²	4	10.6 Å²	10.6	3%	0.026	5%	0.052	C	C	.	.			trans	-81	68.4	170.1	35	-34	0	0	0	110.3	S184 L188 S213 G217 G218 L255 V358 S362	S184-P215 VanDerWaalsContact C-CD 3.46Å; S184-P215 VanDerWaalsContact O-CD 3.27Å; S184-P215 WeakPolarHBondContact O-CD 3.37Å; L188-P215 HydrophobicContact CD1-CG 4.48Å; S213-P215 WeakPolarHBondContact O-CD 3.18Å; P215-G217 PolarHBondContact O-N 3.34Å; P215-G217 VanDerWaalsContact O-N 3.11Å; P215-G218 PolarHBondContact O-N 3.26Å; P215-L255 HydrophobicContact CB-CD2 4.48Å; P215-L255 HydrophobicContact CG-CD2 3.79Å; P215-V358 HydrophobicContact CB-CG1 3.88Å; P215-V358 HydrophobicContact CB-CG2 3.92Å; P215-S362 WeakPolarHBondContact CA-OG 3.32Å
216	F	98.6	Very high	97.9	Very high	5 Å²	5	9.4 Å²	9.4	2%	0.022	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-37.5	-174.1	-68.9	-69.5	0	0	0	113.3	F211 C214 G306 L307 S362 C366 W369	F211-F216 HydrophobicContact CB-CZ 4Å; F211-F216 HydrophobicContact CD1-CE1 4.35Å; F211-F216 HydrophobicContact CD1-CZ 4.48Å; F211-F216 AromaticContact CD2-CE1 3.91Å; F211-F216 HydrophobicContact CD2-CE1 3.91Å; F211-F216 AromaticContact CD2-CZ 3.73Å; F211-F216 HydrophobicContact CD2-CZ 3.73Å; F211-F216 HydrophobicContact CE1-CE1 4.42Å; F211-F216 AromaticContact CE2-CE1 4Å; F211-F216 HydrophobicContact CE2-CE1 4Å; F211-F216 HydrophobicContact CE2-CZ 4.26Å; F211-F216 HydrophobicContact CG-CE1 4.07Å; F211-F216 AromaticContact CG-CZ 3.82Å; F211-F216 HydrophobicContact CG-CZ 3.82Å; F211-F216 HydrophobicContact CZ-CE1 4.23Å; C214-F216 HydrophobicContact CB-CD1 4.17Å; C214-F216 HydrophobicContact CB-CD2 3.97Å; C214-F216 HydrophobicContact CB-CE1 3.83Å; C214-F216 HydrophobicContact CB-CE2 3.61Å; C214-F216 HydrophobicContact CB-CG 4.24Å; C214-F216 HydrophobicContact CB-CZ 3.55Å; C214-F216 PolarHBondContact O-N 3.22Å; C214-F216 WeakPolarHBondContact SG-CD1 3.29Å; C214-F216 WeakPolarHBondContact SG-CE1 3.44Å; F216-G306 WeakPolarHBondContact CB-O 3.48Å; F216-G306 WeakPolarHBondContact CD1-O 3.49Å; F216-G306 CarbonylContact O-C 3.54Å; F216-G306 VanDerWaalsContact O-CA 3.25Å; F216-G306 WeakPolarHBondContact O-CA 3.43Å; F216-L307 HydrophobicContact CB-CD2 4.1Å; F216-S362 WeakPolarHBondContact CB-O 3.49Å; F216-S362 VanDerWaalsContact CD2-O 3.28Å; F216-S362 WeakPolarHBondContact CD2-O 3.12Å; F216-S362 PolarHBondContact N-OG 3.02Å; F216-C366 HydrophobicContact CD2-CB 4.28Å; F216-C366 HydrophobicContact CE2-CB 3.55Å; F216-C366 HydrophobicContact CZ-CB 3.75Å; F216-W369 AromaticContact CD1-CH2 3.59Å; F216-W369 HydrophobicContact CD1-CH2 3.59Å; F216-W369 HydrophobicContact CD1-CZ2 4.21Å; F216-W369 HydrophobicContact CD1-CZ3 4.36Å; F216-W369 AromaticContact CE1-CH2 3.28Å; F216-W369 HydrophobicContact CE1-CH2 3.28Å; F216-W369 HydrophobicContact CE1-CZ2 4.3Å; F216-W369 AromaticContact CE1-CZ3 3.65Å; F216-W369 HydrophobicContact CE1-CZ3 3.65Å; F216-W369 HydrophobicContact CZ-CH2 4.01Å; F216-W369 AromaticContact CZ-CZ3 3.95Å; F216-W369 HydrophobicContact CZ-CZ3 3.95Å
217	G	97.8	Very high	97.8	Very high	4 Å²	4	8.9 Å²	8.9	4%	0.041	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	20.4	173.5	0	0	0	0	0	114.3	P215 P257 D258 W262 S362	P215-G217 PolarHBondContact O-N 3.34Å; P215-G217 VanDerWaalsContact O-N 3.11Å; G217-P257 CarbonylContact O-C 2.99Å; G217-P257 WeakPolarHBondContact O-CA 3.42Å; G217-D258 PolarHBondContact O-N 3.49Å; G217-W262 VanDerWaalsContact O-CZ3 3.24Å; G217-W262 WeakPolarHBondContact O-CZ3 3.13Å; G217-S362 PolarHBondContact N-OG 2.92Å
218	G	97.9	Very high	97.7	Very high	4 Å²	4	5.6 Å²	5.6	4%	0.041	3%	0.03	C	C	.	.			trans	85.3	-168.5	-177.3	0	0	0	0	0	114.6	P215 L255 S362	P215-G218 PolarHBondContact O-N 3.26Å; G218-L255 CarbonylContact C-O 3.59Å; G218-L255 WeakPolarHBondContact CA-O 3.47Å; G218-S362 PolarHBondContact N-OG 3.11Å; G218-S362 VanDerWaalsContact O-CB 3.29Å; G218-S362 WeakPolarHBondContact O-CB 3.28Å; G218-S362 PolarHBondContact O-OG 2.85Å
219	S	97.6	Very high	97.6	Very high	6 Å²	6	5.6 Å²	5.6	4%	0.042	3%	0.03	C	C	.	.			trans	-145.1	136.4	-178.9	169	0	0	0	0	112.2	K221 T222 L255 T357	S219-K221 PolarHBondContact O-N 2.96Å; S219-K221 VanDerWaalsContact O-N 3.17Å; S219-K221 WeakPolarHBondContact OG-CB 2.99Å; S219-K221 PolarHBondContact OG-N 3.05Å; S219-K221 VanDerWaalsContact OG-N 3.17Å; S219-T222 PolarHBondContact O-N 2.9Å; S219-T222 VanDerWaalsContact O-N 3.11Å; S219-T222 PolarHBondContact O-OG1 2.04Å; S219-L255 PolarHBondContact N-O 3.27Å; S219-T357 PolarHBondContact OG-O 3.38Å
220	V	97.7	Very high	97.2	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.012	3%	0.033	C	C	.	.	H	α-helix	trans	-59	-27.7	175.7	-178	0	0	0	0	112.3	T222 V223 K224 P257 W262 L268 T327 I330	V220-T222 PolarHBondContact O-N 2.82Å; V220-V223 WeakPolarHBondContact O-CB 3.41Å; V220-V223 PolarHBondContact O-N 2.84Å; V220-V223 VanDerWaalsContact O-N 3.1Å; V220-K224 PolarHBondContact O-N 3.13Å; V220-P257 HydrophobicContact CB-CG 4.47Å; V220-P257 HydrophobicContact CG2-CG 4Å; V220-W262 HydrophobicContact CG2-CZ2 4.05Å; V220-L268 HydrophobicContact CG2-CD2 3.94Å; V220-T327 HydrophobicContact CG1-CG2 4.21Å; V220-I330 HydrophobicContact CG1-CD1 3.91Å; V220-I330 HydrophobicContact CG1-CG1 4.14Å
221	K	95.8	Very high	96.5	Very high	50 Å²	50	6.9 Å²	6.9	22%	0.217	4%	0.037	C	C	.	.	H	α-helix	trans	-58.5	-30.8	177.4	-171.8	174.2	179.7	176	0	112.4	S219 V223 K224 V225 D230 T357	S219-K221 PolarHBondContact O-N 2.96Å; S219-K221 VanDerWaalsContact O-N 3.17Å; S219-K221 WeakPolarHBondContact OG-CB 2.99Å; S219-K221 PolarHBondContact OG-N 3.05Å; S219-K221 VanDerWaalsContact OG-N 3.17Å; K221-V223 VanDerWaalsContact C-N 3.32Å; K221-V223 PolarHBondContact O-N 3.01Å; K221-K224 WeakPolarHBondContact O-CB 3.31Å; K221-K224 PolarHBondContact O-N 3.09Å; K221-V225 VanDerWaalsContact O-CG2 3.25Å; K221-V225 WeakPolarHBondContact O-CG2 3.13Å; K221-V225 PolarHBondContact O-N 3.31Å; K221-D230 WeakPolarHBondContact CE-OD2 3.5Å; K221-T357 HydrophobicContact CD-CG2 4.23Å
222	T	96.6	Very high	95.4	Very high	11 Å²	11	10.1 Å²	10.1	7%	0.067	5%	0.051	C	C	.	.	H	α-helix	trans	-66.6	-35.3	179.1	61.8	0	0	0	0	111.9	S219 V220 V225 E226 L252 L255 F256	S219-T222 PolarHBondContact O-N 2.9Å; S219-T222 VanDerWaalsContact O-N 3.11Å; S219-T222 PolarHBondContact O-OG1 2.04Å; V220-T222 PolarHBondContact O-N 2.82Å; T222-V225 WeakPolarHBondContact O-CB 3.47Å; T222-V225 PolarHBondContact O-N 2.99Å; T222-E226 PolarHBondContact O-N 3.2Å; T222-E226 VanDerWaalsContact O-N 3.09Å; T222-L252 WeakPolarHBondContact CB-O 3.31Å; T222-L255 HydrophobicContact CG2-CB 3.53Å; T222-L255 HydrophobicContact CG2-CD1 4.45Å; T222-L255 PolarHBondContact OG1-O 2.81Å; T222-F256 VanDerWaalsContact OG1-CD1 3.31Å; T222-F256 WeakPolarHBondContact OG1-CD1 3.37Å
223	V	97.2	Very high	94.1	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.012	7%	0.07	C	C	.	.	H	α-helix	trans	-66.7	-39.3	174.6	-168.8	0	0	0	0	110.9	V220 K221 V225 E226 A227 F256 P257 I269 Y281 F284 I330	V220-V223 WeakPolarHBondContact O-CB 3.41Å; V220-V223 PolarHBondContact O-N 2.84Å; V220-V223 VanDerWaalsContact O-N 3.1Å; K221-V223 VanDerWaalsContact C-N 3.32Å; K221-V223 PolarHBondContact O-N 3.01Å; V223-V225 VanDerWaalsContact C-N 3.32Å; V223-V225 PolarHBondContact O-N 3.07Å; V223-E226 PolarHBondContact O-N 2.79Å; V223-A227 PolarHBondContact O-N 2.86Å; V223-F256 HydrophobicContact CB-CZ 4.39Å; V223-F256 HydrophobicContact CG1-CZ 4.44Å; V223-F256 HydrophobicContact CG2-CD1 4.25Å; V223-F256 HydrophobicContact CG2-CD2 4.27Å; V223-F256 HydrophobicContact CG2-CE1 4.18Å; V223-F256 HydrophobicContact CG2-CE2 4.19Å; V223-F256 HydrophobicContact CG2-CG 4.27Å; V223-F256 HydrophobicContact CG2-CZ 4.13Å; V223-P257 HydrophobicContact CG2-CG 4.08Å; V223-I269 HydrophobicContact CG1-CD1 3.33Å; V223-I269 HydrophobicContact CG1-CG1 3.92Å; V223-Y281 HydrophobicContact CG2-CE1 4.44Å; V223-F284 HydrophobicContact CG1-CE1 4.05Å; V223-F284 HydrophobicContact CG1-CE2 4.31Å; V223-F284 HydrophobicContact CG1-CZ 3.88Å; V223-I330 HydrophobicContact CB-CD1 4.32Å
224	K	96.2	Very high	92.8	Very high	15 Å²	15	12.6 Å²	12.6	7%	0.065	7%	0.074	C	C	.	.	H	α-helix	trans	-59.8	-42.8	171.5	178.4	-144	165.8	-171.8	0	111.2	V220 K221 E226 A227 S228 G229 D230 I330 P347 L349	V220-K224 PolarHBondContact O-N 3.13Å; K221-K224 WeakPolarHBondContact O-CB 3.31Å; K221-K224 PolarHBondContact O-N 3.09Å; K224-E226 VanDerWaalsContact C-N 3.33Å; K224-E226 PolarHBondContact O-N 2.83Å; K224-A227 PolarHBondContact O-N 2.9Å; K224-S228 WeakPolarHBondContact CG-OG 3.38Å; K224-S228 PolarHBondContact O-N 2.97Å; K224-S228 PolarHBondContact O-OG 2.98Å; K224-S228 VanDerWaalsContact O-OG 3.05Å; K224-G229 WeakPolarHBondContact CE-O 3.47Å; K224-G229 PolarHBondContact O-N 2.92Å; K224-D230 IonicContact NZ-OD2 3.32Å; K224-D230 PolarHBondContact NZ-OD2 2.85Å; K224-I330 HydrophobicContact CB-CD1 3.57Å; K224-I330 HydrophobicContact CB-CG1 4.14Å; K224-P347 HydrophobicContact CG-CG 4.22Å; K224-L349 HydrophobicContact CD-CD1 4.48Å; K224-L349 HydrophobicContact CD-CD2 3.93Å; K224-L349 HydrophobicContact CG-CD2 4.21Å
225	V	96.6	Very high	91.8	Very high	10 Å²	10	21.2 Å²	21.2	6%	0.061	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-45.1	179.6	175.3	0	0	0	0	110.4	K221 T222 V223 A227 G229 D230 Q246 L252	K221-V225 VanDerWaalsContact O-CG2 3.25Å; K221-V225 WeakPolarHBondContact O-CG2 3.13Å; K221-V225 PolarHBondContact O-N 3.31Å; T222-V225 WeakPolarHBondContact O-CB 3.47Å; T222-V225 PolarHBondContact O-N 2.99Å; V223-V225 VanDerWaalsContact C-N 3.32Å; V223-V225 PolarHBondContact O-N 3.07Å; V225-A227 PolarHBondContact O-N 2.9Å; V225-G229 WeakPolarHBondContact O-CA 3.41Å; V225-G229 PolarHBondContact O-N 2.71Å; V225-D230 HydrophobicContact CG2-CB 3.65Å; V225-Q246 HydrophobicContact CG1-CB 3.51Å; V225-Q246 HydrophobicContact CG1-CG 3.86Å; V225-L252 HydrophobicContact CG1-CD1 3.6Å
226	E	97.4	Very high	90.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-39.5	176.1	-70.6	-59.6	137.3	0	0	112.5	T222 V223 K224 R247 T253 F256 F284 F285 I288	T222-E226 PolarHBondContact O-N 3.2Å; T222-E226 VanDerWaalsContact O-N 3.09Å; V223-E226 PolarHBondContact O-N 2.79Å; K224-E226 VanDerWaalsContact C-N 3.33Å; K224-E226 PolarHBondContact O-N 2.83Å; E226-R247 PolarHBondContact O-NE 2.98Å; E226-R247 PolarHBondContact O-NH2 2.74Å; E226-R247 WeakPolarHBondContact OE2-CG 3.46Å; E226-T253 HydrophobicContact CG-CG2 4.39Å; E226-F256 HydrophobicContact CB-CE1 4.49Å; E226-F256 HydrophobicContact CB-CZ 4.1Å; E226-F256 HydrophobicContact CG-CE1 3.65Å; E226-F256 HydrophobicContact CG-CZ 3.59Å; E226-F284 HydrophobicContact CB-CE1 4.06Å; E226-F284 HydrophobicContact CB-CZ 4.17Å; E226-F285 HydrophobicContact CB-CE1 4.18Å; E226-F285 HydrophobicContact CG-CE1 4.05Å; E226-F285 HydrophobicContact CG-CZ 4.12Å; E226-I288 HydrophobicContact CB-CD1 4.48Å
227	A	96.7	Very high	90.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-74.2	-57.3	180	0	0	0	0	0	113	V223 K224 V225 R243 R247 F284 Y332 F342 P343	V223-A227 PolarHBondContact O-N 2.86Å; K224-A227 PolarHBondContact O-N 2.9Å; V225-A227 PolarHBondContact O-N 2.9Å; A227-R243 WeakPolarHBondContact O-CD 3.2Å; A227-R243 PolarHBondContact O-NH1 3.05Å; A227-R247 PolarHBondContact O-NH2 3.15Å; A227-F284 HydrophobicContact CB-CE2 3.98Å; A227-F284 HydrophobicContact CB-CZ 3.93Å; A227-Y332 WeakPolarHBondContact CB-OH 3.27Å; A227-F342 HydrophobicContact CB-CE2 4.13Å; A227-P343 HydrophobicContact CB-CB 4.4Å
228	S	95.7	Very high	89.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-122.3	0.8	-165.9	60.6	0	0	0	0	114.5	K224 P239 L240 Y332 Q345 P347	K224-S228 WeakPolarHBondContact CG-OG 3.38Å; K224-S228 PolarHBondContact O-N 2.97Å; K224-S228 PolarHBondContact O-OG 2.98Å; K224-S228 VanDerWaalsContact O-OG 3.05Å; S228-P239 CarbonylContact O-C 3.53Å; S228-P239 VanDerWaalsContact O-C 3.31Å; S228-L240 WeakPolarHBondContact O-CA 3.43Å; S228-L240 WeakPolarHBondContact O-CD2 3.48Å; S228-L240 PolarHBondContact O-N 3.41Å; S228-Y332 WeakPolarHBondContact CB-OH 3.36Å; S228-Y332 PolarHBondContact OG-OH 2.75Å; S228-Q345 VanDerWaalsContact CB-O 3.3Å; S228-Q345 WeakPolarHBondContact CB-O 3.49Å; S228-P347 WeakPolarHBondContact OG-CD 3.39Å
229	G	95.4	Very high	89.7	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.			trans	70.7	176.7	-171.8	0	0	0	0	0	113.7	K224 V225 P239	K224-G229 WeakPolarHBondContact CE-O 3.47Å; K224-G229 PolarHBondContact O-N 2.92Å; V225-G229 WeakPolarHBondContact O-CA 3.41Å; V225-G229 PolarHBondContact O-N 2.71Å; G229-P239 WeakPolarHBondContact CA-O 3.48Å; G229-P239 WeakPolarHBondContact O-CB 3.17Å
230	D	92.2	Very high	89.5	Confident	11 Å²	11	35.8 Å²	35.8	6%	0.059	18%	0.182	C	C	.	.			trans	-141.7	147.4	173.6	-166	-94.9	0	0	0	109.6	K221 K224 V225 F232 F242 Q246	K221-D230 WeakPolarHBondContact CE-OD2 3.5Å; K224-D230 IonicContact NZ-OD2 3.32Å; K224-D230 PolarHBondContact NZ-OD2 2.85Å; V225-D230 HydrophobicContact CG2-CB 3.65Å; D230-F232 VanDerWaalsContact C-N 3.34Å; D230-F232 WeakPolarHBondContact OD1-CA 3.37Å; D230-F232 PolarHBondContact OD1-N 3.37Å; D230-F242 VanDerWaalsContact O-CB 3.32Å; D230-F242 WeakPolarHBondContact O-CB 3.32Å; D230-Q246 PolarHBondContact O-NE2 3.32Å; D230-Q246 PolarHBondContact O-OE1 2.79Å
231	N	83.7	Confident	89.3	Confident	17 Å²	17	36.9 Å²	36.9	9%	0.091	19%	0.191	C	C	.	.			trans	-96.5	15.8	-179.1	65.9	-8.9	0	0	0	112.8	G233 V234 F235 P239 F242	N231-G233 PolarHBondContact O-N 2.92Å; N231-G233 VanDerWaalsContact O-N 3.13Å; N231-G233 PolarHBondContact OD1-N 2.63Å; N231-V234 WeakPolarHBondContact CB-O 3.3Å; N231-V234 PolarHBondContact ND2-O 3.32Å; N231-V234 WeakPolarHBondContact O-CB 3.27Å; N231-V234 PolarHBondContact O-N 2.85Å; N231-F235 WeakPolarHBondContact ND2-CD1 3.28Å; N231-P239 HydrophobicContact CB-CG 4.37Å; N231-F242 HydrophobicContact CB-CD2 4.21Å; N231-F242 HydrophobicContact CB-CE2 3.95Å
232	F	75.9	Confident	89.2	Confident	68 Å²	68	34.5 Å²	34.5	30%	0.298	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	26.8	-179.9	-54.2	-79.2	0	0	0	113.5	W62 F68 D230 V234 F242 Q246	W62-F232 AromaticContact CH2-CD1 3.9Å; W62-F232 HydrophobicContact CH2-CD1 3.9Å; W62-F232 HydrophobicContact CH2-CD2 4.44Å; W62-F232 HydrophobicContact CH2-CE1 4.11Å; W62-F232 HydrophobicContact CH2-CG 4.07Å; W62-F232 HydrophobicContact CH2-CZ 4.46Å; W62-F232 HydrophobicContact CZ3-CD1 4.44Å; W62-F232 HydrophobicContact CZ3-CD2 4.42Å; W62-F232 HydrophobicContact CZ3-CE1 4.32Å; W62-F232 HydrophobicContact CZ3-CE2 4.29Å; W62-F232 HydrophobicContact CZ3-CG 4.48Å; W62-F232 HydrophobicContact CZ3-CZ 4.23Å; F68-F232 HydrophobicContact CE2-CD2 4.11Å; F68-F232 HydrophobicContact CZ-CD2 4.23Å; D230-F232 VanDerWaalsContact C-N 3.34Å; D230-F232 WeakPolarHBondContact OD1-CA 3.37Å; D230-F232 PolarHBondContact OD1-N 3.37Å; F232-V234 PolarHBondContact O-N 2.92Å; F232-F242 HydrophobicContact CD2-CD1 4.09Å; F232-F242 HydrophobicContact CD2-CE1 4.29Å; F232-F242 HydrophobicContact CE2-CB 4.38Å; F232-F242 AromaticContact CE2-CD1 3.75Å; F232-F242 HydrophobicContact CE2-CD1 3.75Å; F232-F242 HydrophobicContact CE2-CE1 4.32Å; F232-F242 HydrophobicContact CE2-CG 4.23Å; F232-Q246 HydrophobicContact CE2-CG 4.44Å; F232-Q246 HydrophobicContact CZ-CG 3.87Å
233	G	71.6	Confident	89.2	Confident	38 Å²	38	35.2 Å²	35.2	39%	0.392	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	4.5	-174.3	0	0	0	0	0	114.5	N231	N231-G233 PolarHBondContact O-N 2.92Å; N231-G233 VanDerWaalsContact O-N 3.13Å; N231-G233 PolarHBondContact OD1-N 2.63Å
234	V	70.5	Confident	89.1	Confident	15 Å²	15	40.2 Å²	40.2	9%	0.091	20%	0.204	C	C	.	.			trans	-103.5	105.2	179.6	-177.5	0	0	0	0	109.2	L65 N231 F232 L236	L65-V234 HydrophobicContact CD2-CG1 4.03Å; L65-V234 HydrophobicContact CD2-CG2 4.12Å; N231-V234 WeakPolarHBondContact CB-O 3.3Å; N231-V234 PolarHBondContact ND2-O 3.32Å; N231-V234 WeakPolarHBondContact O-CB 3.27Å; N231-V234 PolarHBondContact O-N 2.85Å; F232-V234 PolarHBondContact O-N 2.92Å; V234-L236 HydrophobicContact CG1-CB 4.18Å; V234-L236 HydrophobicContact CG1-CD1 3.58Å; V234-L236 HydrophobicContact CG1-CG 3.62Å; V234-L236 PolarHBondContact O-N 3.25Å
235	F	78.2	Confident	89	Confident	183 Å²	183	39.5 Å²	39.5	80%	0.803	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	38.3	-175.3	-57.6	-83.7	0	0	0	114.3	N231	N231-F235 WeakPolarHBondContact ND2-CD1 3.28Å
236	L	79.3	Confident	89	Confident	93 Å²	93	39.1 Å²	39.1	49%	0.487	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-30.4	176.5	-71.7	173.7	0	0	0	112.7	L65 F68 V234	L65-L236 HydrophobicContact CB-CD1 4.34Å; F68-L236 HydrophobicContact CB-CD1 4.35Å; V234-L236 HydrophobicContact CG1-CB 4.18Å; V234-L236 HydrophobicContact CG1-CD1 3.58Å; V234-L236 HydrophobicContact CG1-CG 3.62Å; V234-L236 PolarHBondContact O-N 3.25Å
237	R	86.4	Confident	89	Confident	122 Å²	122	39.9 Å²	39.9	46%	0.46	20%	0.202	S	C	.	.	S	Bend	trans	-145.3	160.7	-176.2	-59.6	-72.7	-77.2	170.5	-4.8	110.8	F68 S241 F242	F68-R237 WeakPolarHBondContact O-CG 3.4Å; R237-S241 WeakPolarHBondContact CB-OG 3.49Å; R237-F242 HydrophobicContact CB-CE2 3.83Å; R237-F242 HydrophobicContact CB-CZ 4.31Å
238	S	90.4	Very high	89	Confident	56 Å²	56	40 Å²	40	39%	0.392	20%	0.203	S	C	.	.			trans	-60.1	140	172.3	174.3	0	0	0	0	110.7	L240 S241	S238-L240 PolarHBondContact O-N 3.16Å; S238-L240 VanDerWaalsContact O-N 3.13Å; S238-L240 PolarHBondContact OG-N 2.99Å; S238-S241 WeakPolarHBondContact O-CB 3.34Å; S238-S241 PolarHBondContact O-N 3.02Å; S238-S241 PolarHBondContact O-OG 3.25Å
239	P	91.9	Very high	89.1	Confident	16 Å²	16	40.3 Å²	40.3	10%	0.104	20%	0.204	C	C	.	.	H	α-helix	trans	-48.2	-38.3	172.8	-29.7	36.7	0	0	0	113.7	S228 G229 N231 S241 F242 R243 V346	S228-P239 CarbonylContact O-C 3.53Å; S228-P239 VanDerWaalsContact O-C 3.31Å; G229-P239 WeakPolarHBondContact CA-O 3.48Å; G229-P239 WeakPolarHBondContact O-CB 3.17Å; N231-P239 HydrophobicContact CB-CG 4.37Å; P239-S241 PolarHBondContact O-N 2.87Å; P239-S241 VanDerWaalsContact O-N 3.08Å; P239-F242 PolarHBondContact O-N 3.12Å; P239-R243 PolarHBondContact O-N 2.94Å; P239-V346 HydrophobicContact CG-CG2 4.41Å
240	L	93.9	Very high	89.2	Confident	42 Å²	42	40.3 Å²	40.3	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-57.9	-29.1	-179.9	-68.4	168	0	0	0	112.9	S228 S238 F242 R243	S228-L240 WeakPolarHBondContact O-CA 3.43Å; S228-L240 WeakPolarHBondContact O-CD2 3.48Å; S228-L240 PolarHBondContact O-N 3.41Å; S238-L240 PolarHBondContact O-N 3.16Å; S238-L240 VanDerWaalsContact O-N 3.13Å; S238-L240 PolarHBondContact OG-N 2.99Å; L240-F242 VanDerWaalsContact C-N 3.29Å; L240-F242 PolarHBondContact O-N 3.01Å; L240-R243 VanDerWaalsContact O-CB 3.31Å; L240-R243 WeakPolarHBondContact O-CB 3.38Å; L240-R243 PolarHBondContact O-N 3.07Å
241	S	93.5	Very high	89.4	Confident	26 Å²	26	39.8 Å²	39.8	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-71.2	-24.2	179.8	69.8	0	0	0	0	113.5	I71 R237 S238 P239	I71-S241 VanDerWaalsContact CG1-O 3.31Å; I71-S241 WeakPolarHBondContact CG1-O 3.32Å; R237-S241 WeakPolarHBondContact CB-OG 3.49Å; S238-S241 WeakPolarHBondContact O-CB 3.34Å; S238-S241 PolarHBondContact O-N 3.02Å; S238-S241 PolarHBondContact O-OG 3.25Å; P239-S241 PolarHBondContact O-N 2.87Å; P239-S241 VanDerWaalsContact O-N 3.08Å
242	F	94.7	Very high	90.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-90	-14.1	175.8	-63.2	-87.8	0	0	0	112.7	F68 I71 F74 D230 N231 F232 R237 P239 L240 H244 V245 Q246	F68-F242 HydrophobicContact CB-CE1 4.2Å; F68-F242 HydrophobicContact CB-CZ 4.14Å; F68-F242 HydrophobicContact CD1-CE1 4.07Å; F68-F242 AromaticContact CD2-CE1 3.91Å; F68-F242 HydrophobicContact CD2-CE1 3.91Å; F68-F242 HydrophobicContact CD2-CZ 4.02Å; F68-F242 HydrophobicContact CE1-CE1 4.46Å; F68-F242 HydrophobicContact CE2-CE1 4.3Å; F68-F242 AromaticContact CG-CE1 3.8Å; F68-F242 HydrophobicContact CG-CE1 3.8Å; F68-F242 HydrophobicContact CG-CZ 4.09Å; I71-F242 HydrophobicContact CD1-CD1 3.35Å; I71-F242 HydrophobicContact CD1-CE1 3.37Å; I71-F242 HydrophobicContact CD1-CG 3.99Å; I71-F242 HydrophobicContact CD1-CZ 4.01Å; F74-F242 HydrophobicContact CE1-CD1 4.41Å; D230-F242 VanDerWaalsContact O-CB 3.32Å; D230-F242 WeakPolarHBondContact O-CB 3.32Å; N231-F242 HydrophobicContact CB-CD2 4.21Å; N231-F242 HydrophobicContact CB-CE2 3.95Å; F232-F242 HydrophobicContact CD2-CD1 4.09Å; F232-F242 HydrophobicContact CD2-CE1 4.29Å; F232-F242 HydrophobicContact CE2-CB 4.38Å; F232-F242 AromaticContact CE2-CD1 3.75Å; F232-F242 HydrophobicContact CE2-CD1 3.75Å; F232-F242 HydrophobicContact CE2-CE1 4.32Å; F232-F242 HydrophobicContact CE2-CG 4.23Å; R237-F242 HydrophobicContact CB-CE2 3.83Å; R237-F242 HydrophobicContact CB-CZ 4.31Å; P239-F242 PolarHBondContact O-N 3.12Å; L240-F242 VanDerWaalsContact C-N 3.29Å; L240-F242 PolarHBondContact O-N 3.01Å; F242-H244 VanDerWaalsContact C-N 3.26Å; F242-H244 PolarHBondContact O-N 3.11Å; F242-H244 VanDerWaalsContact O-N 3.14Å; F242-V245 HydrophobicContact CB-CG1 4.45Å; F242-V245 WeakPolarHBondContact O-CG1 3.44Å; F242-V245 PolarHBondContact O-N 3.42Å; F242-V245 VanDerWaalsContact O-N 3.13Å; F242-Q246 HydrophobicContact CB-CG 4.39Å; F242-Q246 WeakPolarHBondContact O-CB 3.48Å; F242-Q246 WeakPolarHBondContact O-CG 3.46Å; F242-Q246 PolarHBondContact O-N 3.33Å; F242-Q246 PolarHBondContact O-OE1 3.15Å
243	R	95.5	Very high	91.1	Very high	25 Å²	25	36.6 Å²	36.6	9%	0.094	19%	0.187	C	C	.	.	H	α-helix	trans	-54	-40.5	-174.1	-173.2	173.7	65.3	-178.7	-1.6	113.1	A227 P239 L240 V245 Q246 R247 P343 D344	A227-R243 WeakPolarHBondContact O-CD 3.2Å; A227-R243 PolarHBondContact O-NH1 3.05Å; P239-R243 PolarHBondContact O-N 2.94Å; L240-R243 VanDerWaalsContact O-CB 3.31Å; L240-R243 WeakPolarHBondContact O-CB 3.38Å; L240-R243 PolarHBondContact O-N 3.07Å; R243-V245 PolarHBondContact O-N 3.11Å; R243-Q246 PolarHBondContact O-N 2.99Å; R243-R247 HydrophobicContact CG-CG 4.01Å; R243-R247 VanDerWaalsContact O-CB 3.24Å; R243-R247 WeakPolarHBondContact O-CB 3.5Å; R243-R247 VanDerWaalsContact O-CG 3.22Å; R243-R247 WeakPolarHBondContact O-CG 3.25Å; R243-R247 PolarHBondContact O-N 3.03Å; R243-P343 PolarHBondContact NH1-O 2.84Å; R243-D344 IonicContact CZ-OD1 3.61Å; R243-D344 IonicContact NH1-OD1 2.75Å; R243-D344 PolarHBondContact NH1-OD1 3.39Å; R243-D344 IonicContact NH2-OD1 3.28Å; R243-D344 PolarHBondContact NH2-OD1 3.37Å
244	H	94.8	Very high	92.3	Very high	107 Å²	107	35.4 Å²	35.4	50%	0.495	17%	0.172	S	C	.	.	H	α-helix	trans	-66.2	-37.9	-178.3	-71.4	-62.4	0	0	0	114.1	T75 F242	T75-H244 HydrophobicContact CG2-CB 4.36Å; F242-H244 VanDerWaalsContact C-N 3.26Å; F242-H244 PolarHBondContact O-N 3.11Å; F242-H244 VanDerWaalsContact O-N 3.14Å
245	V	95.3	Very high	93.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-77	-38.5	176.8	57.1	0	0	0	0	110.2	F74 T75 F78 K79 F242 R243 S248 M249	F74-V245 HydrophobicContact CD1-CG1 4.01Å; F74-V245 HydrophobicContact CD1-CG2 4.45Å; F74-V245 HydrophobicContact CE1-CB 4.45Å; F74-V245 HydrophobicContact CE1-CG1 3.73Å; F74-V245 HydrophobicContact CE1-CG2 3.97Å; F74-V245 HydrophobicContact CZ-CG2 4.46Å; T75-V245 HydrophobicContact CG2-CB 4.4Å; F78-V245 HydrophobicContact CB-CG2 4.15Å; F78-V245 HydrophobicContact CD1-CG2 3.99Å; K79-V245 HydrophobicContact CB-CB 4.45Å; K79-V245 HydrophobicContact CB-CG2 4.29Å; F242-V245 HydrophobicContact CB-CG1 4.45Å; F242-V245 WeakPolarHBondContact O-CG1 3.44Å; F242-V245 PolarHBondContact O-N 3.42Å; F242-V245 VanDerWaalsContact O-N 3.13Å; R243-V245 PolarHBondContact O-N 3.11Å; V245-S248 PolarHBondContact O-N 3.18Å; V245-S248 PolarHBondContact O-OG 2.84Å; V245-M249 HydrophobicContact CG2-CE 3.78Å
246	Q	96.1	Very high	94.6	Very high	3 Å²	3	27 Å²	27	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-53.2	176.5	-74	167.1	-29.7	0	0	112.2	V225 D230 F232 F242 R243 S248 M249 L252	V225-Q246 HydrophobicContact CG1-CB 3.51Å; V225-Q246 HydrophobicContact CG1-CG 3.86Å; D230-Q246 PolarHBondContact O-NE2 3.32Å; D230-Q246 PolarHBondContact O-OE1 2.79Å; F232-Q246 HydrophobicContact CE2-CG 4.44Å; F232-Q246 HydrophobicContact CZ-CG 3.87Å; F242-Q246 HydrophobicContact CB-CG 4.39Å; F242-Q246 WeakPolarHBondContact O-CB 3.48Å; F242-Q246 WeakPolarHBondContact O-CG 3.46Å; F242-Q246 PolarHBondContact O-N 3.33Å; F242-Q246 PolarHBondContact O-OE1 3.15Å; R243-Q246 PolarHBondContact O-N 2.99Å; Q246-S248 PolarHBondContact O-N 3.18Å; Q246-M249 WeakPolarHBondContact O-CB 3.4Å; Q246-M249 WeakPolarHBondContact O-CG 3.4Å; Q246-M249 PolarHBondContact O-N 3.4Å; Q246-L252 HydrophobicContact CB-CD1 3.77Å; Q246-L252 HydrophobicContact CG-CD1 4.29Å; Q246-L252 WeakPolarHBondContact O-CD1 3.19Å
247	R	97	Very high	95.4	Very high	16 Å²	16	22.7 Å²	22.7	6%	0.06	11%	0.111	C	C	.	.	H	α-helix	trans	-50	-28.5	176.2	-79.4	-173.2	174.3	178.9	0.8	113.8	E226 A227 R243 M249 Y290	E226-R247 PolarHBondContact O-NE 2.98Å; E226-R247 PolarHBondContact O-NH2 2.74Å; E226-R247 WeakPolarHBondContact OE2-CG 3.46Å; A227-R247 PolarHBondContact O-NH2 3.15Å; R243-R247 HydrophobicContact CG-CG 4.01Å; R243-R247 VanDerWaalsContact O-CB 3.24Å; R243-R247 WeakPolarHBondContact O-CB 3.5Å; R243-R247 VanDerWaalsContact O-CG 3.22Å; R243-R247 WeakPolarHBondContact O-CG 3.25Å; R243-R247 PolarHBondContact O-N 3.03Å; R247-M249 PolarHBondContact O-N 3.47Å; R247-Y290 HydrophobicContact CB-CD1 4.16Å; R247-Y290 HydrophobicContact CB-CE1 3.58Å; R247-Y290 HydrophobicContact CB-CE2 4.36Å; R247-Y290 HydrophobicContact CG-CD1 4.04Å; R247-Y290 HydrophobicContact CG-CE1 3.97Å; R247-Y290 WeakPolarHBondContact O-CE1 3.02Å; R247-Y290 PolarHBondContact O-OH 2.74Å
248	S	97	Very high	95.9	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.014	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-9.2	178.9	76	0	0	0	0	114.9	K79 L80 V245 Q246 P250	K79-S248 WeakPolarHBondContact CG-OG 3.17Å; L80-S248 WeakPolarHBondContact CB-O 3.26Å; L80-S248 PolarHBondContact N-OG 3.13Å; L80-S248 VanDerWaalsContact O-CB 3.28Å; L80-S248 WeakPolarHBondContact O-CB 3.14Å; V245-S248 PolarHBondContact O-N 3.18Å; V245-S248 PolarHBondContact O-OG 2.84Å; Q246-S248 PolarHBondContact O-N 3.18Å; S248-P250 VanDerWaalsContact O-CD 3.29Å; S248-P250 WeakPolarHBondContact O-CD 3.4Å
249	M	97.3	Very high	96.2	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.03	11%	0.105	C	C	.	.			trans	-97.5	104.5	-173.4	-56.9	-175.5	-172.6	0	0	110.9	F78 R149 V245 Q246 R247 S251 L252	F78-M249 HydrophobicContact CD1-CE 3.65Å; F78-M249 HydrophobicContact CE1-CE 3.58Å; R149-M249 HydrophobicContact CB-CB 4.29Å; R149-M249 HydrophobicContact CB-CG 3.88Å; R149-M249 HydrophobicContact CB-SD 4.19Å; R149-M249 HydrophobicContact CG-CE 4.1Å; R149-M249 HydrophobicContact CG-CG 4.22Å; R149-M249 HydrophobicContact CG-SD 4.02Å; R149-M249 CarbonylContact O-C 3.59Å; R149-M249 VanDerWaalsContact O-C 3.32Å; R149-M249 WeakPolarHBondContact O-CA 3.32Å; R149-M249 VanDerWaalsContact O-CB 3.28Å; R149-M249 WeakPolarHBondContact O-CB 3.45Å; V245-M249 HydrophobicContact CG2-CE 3.78Å; Q246-M249 WeakPolarHBondContact O-CB 3.4Å; Q246-M249 WeakPolarHBondContact O-CG 3.4Å; Q246-M249 PolarHBondContact O-N 3.4Å; R247-M249 PolarHBondContact O-N 3.47Å; M249-S251 PolarHBondContact O-N 3.21Å; M249-L252 HydrophobicContact CB-CD1 4.19Å; M249-L252 HydrophobicContact CB-CG 4.2Å; M249-L252 PolarHBondContact O-N 2.91Å
250	P	97.6	Very high	96.4	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-60.5	-18.9	178.3	-25.3	37.7	0	0	0	113.6	Y82 S89 R149 E154 S248 L252 T253 F254 M296 T300	Y82-P250 HydrophobicContact CD2-CG 4.36Å; S89-P250 VanDerWaalsContact OG-CG 3.28Å; S89-P250 WeakPolarHBondContact OG-CG 3.48Å; R149-P250 VanDerWaalsContact O-CD 3.24Å; R149-P250 WeakPolarHBondContact O-CD 3.5Å; E154-P250 WeakPolarHBondContact OE2-CG 3.39Å; S248-P250 VanDerWaalsContact O-CD 3.29Å; S248-P250 WeakPolarHBondContact O-CD 3.4Å; P250-L252 PolarHBondContact O-N 3.2Å; P250-T253 PolarHBondContact O-N 3.14Å; P250-T253 PolarHBondContact O-OG1 3.03Å; P250-F254 WeakPolarHBondContact O-CB 3.34Å; P250-F254 PolarHBondContact O-N 2.94Å; P250-M296 HydrophobicContact CB-CB 4.32Å; P250-M296 HydrophobicContact CB-CG 4.43Å; P250-M296 HydrophobicContact CG-CE 4.3Å; P250-M296 HydrophobicContact CG-CG 4.2Å; P250-M296 HydrophobicContact CG-SD 4.2Å; P250-T300 HydrophobicContact CB-CG2 4.09Å
251	S	97.6	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.2	-24.8	173	65.9	0	0	0	0	114	F148 R149 K150 M249 F254 L255	F148-S251 WeakPolarHBondContact O-CB 3.25Å; F148-S251 PolarHBondContact O-OG 3.29Å; R149-S251 PolarHBondContact O-N 3.39Å; R149-S251 PolarHBondContact O-OG 2.85Å; K150-S251 WeakPolarHBondContact O-CB 3.44Å; M249-S251 PolarHBondContact O-N 3.21Å; S251-F254 WeakPolarHBondContact O-CB 3.37Å; S251-L255 WeakPolarHBondContact O-CG 3.19Å
252	L	97.2	Very high	96.8	Very high	17 Å²	17	23 Å²	23	9%	0.089	11%	0.111	C	C	.	.	H	α-helix	trans	-79.4	-41.5	178.5	-67	176.3	0	0	0	111.9	T41 T222 V225 Q246 M249 P250 F254 L255 F256	T41-L252 HydrophobicContact CG2-CD2 4.49Å; T222-L252 WeakPolarHBondContact CB-O 3.31Å; V225-L252 HydrophobicContact CG1-CD1 3.6Å; Q246-L252 HydrophobicContact CB-CD1 3.77Å; Q246-L252 HydrophobicContact CG-CD1 4.29Å; Q246-L252 WeakPolarHBondContact O-CD1 3.19Å; M249-L252 HydrophobicContact CB-CD1 4.19Å; M249-L252 HydrophobicContact CB-CG 4.2Å; M249-L252 PolarHBondContact O-N 2.91Å; P250-L252 PolarHBondContact O-N 3.2Å; L252-F254 VanDerWaalsContact C-N 3.28Å; L252-F254 PolarHBondContact O-N 3.48Å; L252-L255 PolarHBondContact O-N 3.29Å; L252-F256 WeakPolarHBondContact O-CD1 3.31Å
253	T	96.7	Very high	96.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.7	-32.3	172.8	56.7	0	0	0	0	111.7	E226 P250 L255 F256 F285 M296	E226-T253 HydrophobicContact CG-CG2 4.39Å; P250-T253 PolarHBondContact O-N 3.14Å; P250-T253 PolarHBondContact O-OG1 3.03Å; T253-L255 PolarHBondContact O-N 3.12Å; T253-F256 HydrophobicContact CG2-CE1 4.42Å; T253-F256 WeakPolarHBondContact O-CB 3.47Å; T253-F256 PolarHBondContact O-N 2.91Å; T253-F256 VanDerWaalsContact O-N 3.15Å; T253-F285 HydrophobicContact CG2-CZ 3.85Å; T253-M296 HydrophobicContact CG2-CB 4.35Å
254	F	97.6	Very high	96.8	Very high	14 Å²	14	28.5 Å²	28.5	6%	0.061	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.6	172.2	173.7	-122.6	0	0	0	113.5	A151 P152 M185 L188 P250 S251 L252 T300 L303 V304	A151-F254 HydrophobicContact CB-CB 4.17Å; A151-F254 HydrophobicContact CB-CG 4.26Å; P152-F254 HydrophobicContact CG-CE1 4.35Å; P152-F254 HydrophobicContact CG-CZ 4.12Å; M185-F254 HydrophobicContact CG-CD1 4.39Å; M185-F254 HydrophobicContact CG-CE1 4.29Å; M185-F254 HydrophobicContact SD-CD1 4.17Å; L188-F254 HydrophobicContact CB-CE1 3.85Å; L188-F254 HydrophobicContact CB-CZ 3.83Å; L188-F254 HydrophobicContact CD1-CE1 3.83Å; L188-F254 HydrophobicContact CD1-CZ 3.96Å; P250-F254 WeakPolarHBondContact O-CB 3.34Å; P250-F254 PolarHBondContact O-N 2.94Å; S251-F254 WeakPolarHBondContact O-CB 3.37Å; L252-F254 VanDerWaalsContact C-N 3.28Å; L252-F254 PolarHBondContact O-N 3.48Å; F254-T300 VanDerWaalsContact CD2-O 3.29Å; F254-T300 WeakPolarHBondContact CD2-O 3.37Å; F254-L303 HydrophobicContact CE2-CB 4.25Å; F254-V304 HydrophobicContact CE2-CG1 3.82Å; F254-V304 HydrophobicContact CZ-CG1 3.55Å
255	L	98	Very high	96.9	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.058	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	15.3	-178.8	-67.9	171.1	0	0	0	113.5	M185 L188 P215 G218 S219 T222 S251 L252 T253	M185-L255 HydrophobicContact CB-CD1 4.15Å; M185-L255 HydrophobicContact CB-CD2 4.3Å; M185-L255 HydrophobicContact CG-CD1 4.17Å; M185-L255 HydrophobicContact CG-CD2 4.11Å; M185-L255 HydrophobicContact CG-CG 4.38Å; M185-L255 HydrophobicContact SD-CD1 3.77Å; M185-L255 HydrophobicContact SD-CG 4.16Å; L188-L255 HydrophobicContact CD1-CD2 3.55Å; P215-L255 HydrophobicContact CB-CD2 4.48Å; P215-L255 HydrophobicContact CG-CD2 3.79Å; G218-L255 CarbonylContact C-O 3.59Å; G218-L255 WeakPolarHBondContact CA-O 3.47Å; S219-L255 PolarHBondContact N-O 3.27Å; T222-L255 HydrophobicContact CG2-CB 3.53Å; T222-L255 HydrophobicContact CG2-CD1 4.45Å; T222-L255 PolarHBondContact OG1-O 2.81Å; S251-L255 WeakPolarHBondContact O-CG 3.19Å; L252-L255 PolarHBondContact O-N 3.29Å; T253-L255 PolarHBondContact O-N 3.12Å
256	F	97.9	Very high	96.9	Very high	10 Å²	10	29.6 Å²	29.6	4%	0.044	17%	0.169	C	C	.	.	S	Bend	trans	-61.9	147.6	175.7	-91.1	29.4	0	0	0	111.7	T222 V223 E226 L252 T253 D258 Y281 F284 F285 W297	T222-F256 VanDerWaalsContact OG1-CD1 3.31Å; T222-F256 WeakPolarHBondContact OG1-CD1 3.37Å; V223-F256 HydrophobicContact CB-CZ 4.39Å; V223-F256 HydrophobicContact CG1-CZ 4.44Å; V223-F256 HydrophobicContact CG2-CD1 4.25Å; V223-F256 HydrophobicContact CG2-CD2 4.27Å; V223-F256 HydrophobicContact CG2-CE1 4.18Å; V223-F256 HydrophobicContact CG2-CE2 4.19Å; V223-F256 HydrophobicContact CG2-CG 4.27Å; V223-F256 HydrophobicContact CG2-CZ 4.13Å; E226-F256 HydrophobicContact CB-CE1 4.49Å; E226-F256 HydrophobicContact CB-CZ 4.1Å; E226-F256 HydrophobicContact CG-CE1 3.65Å; E226-F256 HydrophobicContact CG-CZ 3.59Å; L252-F256 WeakPolarHBondContact O-CD1 3.31Å; T253-F256 HydrophobicContact CG2-CE1 4.42Å; T253-F256 WeakPolarHBondContact O-CB 3.47Å; T253-F256 PolarHBondContact O-N 2.91Å; T253-F256 VanDerWaalsContact O-N 3.15Å; F256-D258 PolarHBondContact O-N 3.37Å; F256-Y281 HydrophobicContact CB-CE2 4.13Å; F256-Y281 AromaticContact CD2-CD1 3.71Å; F256-Y281 HydrophobicContact CD2-CD1 3.71Å; F256-Y281 AromaticContact CD2-CD2 3.99Å; F256-Y281 HydrophobicContact CD2-CD2 3.99Å; F256-Y281 AromaticContact CD2-CE1 3.54Å; F256-Y281 HydrophobicContact CD2-CE1 3.54Å; F256-Y281 AromaticContact CD2-CE2 3.82Å; F256-Y281 HydrophobicContact CD2-CE2 3.82Å; F256-Y281 AromaticContact CD2-CG 3.95Å; F256-Y281 HydrophobicContact CD2-CG 3.95Å; F256-Y281 AromaticContact CD2-CZ 3.6Å; F256-Y281 AromaticContact CE2-CD1 3.83Å; F256-Y281 HydrophobicContact CE2-CD1 3.83Å; F256-Y281 AromaticContact CE2-CE1 3.95Å; F256-Y281 HydrophobicContact CE2-CE1 3.95Å; F256-Y281 HydrophobicContact CE2-CG 4.26Å; F256-Y281 HydrophobicContact CG-CE1 4.5Å; F256-Y281 HydrophobicContact CG-CE2 4.49Å; F256-F284 HydrophobicContact CE2-CE1 4.36Å; F256-F284 HydrophobicContact CZ-CE1 4.22Å; F256-F285 AromaticContact CE2-CE2 3.64Å; F256-F285 HydrophobicContact CE2-CE2 3.64Å; F256-F285 AromaticContact CE2-CZ 3.7Å; F256-F285 HydrophobicContact CE2-CZ 3.7Å; F256-F285 HydrophobicContact CZ-CE2 4.06Å; F256-F285 AromaticContact CZ-CZ 3.6Å; F256-F285 HydrophobicContact CZ-CZ 3.6Å; F256-W297 AromaticContact CD2-CD1 3.86Å; F256-W297 AromaticContact CG-CD1 3.98Å
257	P	98	Very high	97	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.013	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-51.3	126.3	176.1	-31.5	38.3	0	0	0	114.2	G217 V220 V223 W262 L268 Y281	G217-P257 CarbonylContact O-C 2.99Å; G217-P257 WeakPolarHBondContact O-CA 3.42Å; V220-P257 HydrophobicContact CB-CG 4.47Å; V220-P257 HydrophobicContact CG2-CG 4Å; V223-P257 HydrophobicContact CG2-CG 4.08Å; P257-W262 HydrophobicContact CB-CB 4.32Å; P257-W262 HydrophobicContact CB-CD2 3.73Å; P257-W262 HydrophobicContact CB-CE3 3.51Å; P257-W262 HydrophobicContact CB-CG 4.1Å; P257-W262 HydrophobicContact CB-CZ3 4.01Å; P257-L268 HydrophobicContact CB-CD1 3.95Å; P257-L268 HydrophobicContact CG-CD1 3.9Å; P257-Y281 WeakPolarHBondContact CB-OH 3.36Å; P257-Y281 WeakPolarHBondContact CD-OH 3.24Å; P257-Y281 PolarHBondContact O-OH 3.43Å
258	D	96.8	Very high	97	Very high	38 Å²	38	30.1 Å²	30.1	20%	0.203	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-72.9	132.1	174.9	-168.7	-64.9	0	0	0	110.6	G217 F256 R260 L261 W262	G217-D258 PolarHBondContact O-N 3.49Å; F256-D258 PolarHBondContact O-N 3.37Å; D258-R260 PolarHBondContact O-N 2.84Å; D258-R260 VanDerWaalsContact O-N 3.08Å; D258-R260 WeakPolarHBondContact OD1-CB 3.38Å; D258-R260 WeakPolarHBondContact OD1-CG 3.2Å; D258-R260 IonicContact OD1-CZ 2.72Å; D258-R260 PolarHBondContact OD1-N 2.82Å; D258-R260 IonicContact OD1-NE 3.25Å; D258-R260 PolarHBondContact OD1-NE 3.39Å; D258-R260 IonicContact OD1-NH2 3.05Å; D258-R260 IonicContact OD2-CZ 3.25Å; D258-R260 IonicContact OD2-NE 2.75Å; D258-R260 PolarHBondContact OD2-NE 2.84Å; D258-R260 IonicContact OD2-NH2 3.33Å; D258-R260 PolarHBondContact OD2-NH2 3.35Å; D258-L261 PolarHBondContact O-N 3.33Å; D258-W262 PolarHBondContact O-N 2.93Å
259	S	96.3	Very high	97.1	Very high	74 Å²	74	30.1 Å²	30.1	52%	0.517	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.5	-177.7	58.9	0	0	0	0	114.1	L261 W262	S259-L261 VanDerWaalsContact C-N 3.3Å; S259-W262 WeakPolarHBondContact CA-O 3.35Å; S259-W262 CarbonylContact O-C 3.56Å
260	R	96.3	Very high	97.2	Very high	129 Å²	129	32.3 Å²	32.3	49%	0.487	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.1	174.4	-63.5	170.4	-73.4	174.4	2.9	112.5	D258 D305 L307	D258-R260 PolarHBondContact O-N 2.84Å; D258-R260 VanDerWaalsContact O-N 3.08Å; D258-R260 WeakPolarHBondContact OD1-CB 3.38Å; D258-R260 WeakPolarHBondContact OD1-CG 3.2Å; D258-R260 IonicContact OD1-CZ 2.72Å; D258-R260 PolarHBondContact OD1-N 2.82Å; D258-R260 IonicContact OD1-NE 3.25Å; D258-R260 PolarHBondContact OD1-NE 3.39Å; D258-R260 IonicContact OD1-NH2 3.05Å; D258-R260 IonicContact OD2-CZ 3.25Å; D258-R260 IonicContact OD2-NE 2.75Å; D258-R260 PolarHBondContact OD2-NE 2.84Å; D258-R260 IonicContact OD2-NH2 3.33Å; D258-R260 PolarHBondContact OD2-NH2 3.35Å; R260-D305 IonicContact CZ-OD1 2.7Å; R260-D305 IonicContact CZ-OD2 3.74Å; R260-D305 VanDerWaalsContact NH1-CG 3.29Å; R260-D305 IonicContact NH1-OD1 3.28Å; R260-D305 PolarHBondContact NH1-OD1 2.92Å; R260-D305 VanDerWaalsContact NH1-OD1 3.07Å; R260-D305 IonicContact NH1-OD2 3.87Å; R260-D305 PolarHBondContact NH1-OD2 2.83Å; R260-D305 IonicContact NH2-OD1 3.89Å; R260-D305 PolarHBondContact NH2-OD1 3.12Å; R260-D305 IonicContact NH2-OD2 3.4Å; R260-L307 HydrophobicContact CB-CD1 3.81Å
261	L	97.2	Very high	97.1	Very high	23 Å²	23	32.7 Å²	32.7	12%	0.12	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-26.6	175.3	-58.9	-167.3	0	0	0	113.2	D258 S259 L307 Y365	D258-L261 PolarHBondContact O-N 3.33Å; S259-L261 VanDerWaalsContact C-N 3.3Å; L261-L307 HydrophobicContact CD1-CD2 3.95Å; L261-L307 HydrophobicContact CD2-CD1 4.2Å; L261-L307 HydrophobicContact CD2-CD2 4.48Å; L261-L307 HydrophobicContact CG-CD1 4.18Å; L261-L307 HydrophobicContact CG-CD2 4.24Å; L261-Y365 HydrophobicContact CD1-CD2 4.32Å; L261-Y365 HydrophobicContact CD2-CD2 3.46Å; L261-Y365 VanDerWaalsContact CD2-CD2 3.46Å; L261-Y365 HydrophobicContact CD2-CE2 3.68Å; L261-Y365 HydrophobicContact CD2-CG 4.47Å; L261-Y365 HydrophobicContact CG-CD2 4.47Å
262	W	97.1	Very high	97.1	Very high	5 Å²	5	36.6 Å²	36.6	2%	0.019	21%	0.213	C	C	.	.	S	Bend	trans	-122.2	91.7	173.9	-70.7	-89.6	0	0	0	109.3	G217 V220 P257 D258 S259 L268 S278	G217-W262 VanDerWaalsContact O-CZ3 3.24Å; G217-W262 WeakPolarHBondContact O-CZ3 3.13Å; V220-W262 HydrophobicContact CG2-CZ2 4.05Å; P257-W262 HydrophobicContact CB-CB 4.32Å; P257-W262 HydrophobicContact CB-CD2 3.73Å; P257-W262 HydrophobicContact CB-CE3 3.51Å; P257-W262 HydrophobicContact CB-CG 4.1Å; P257-W262 HydrophobicContact CB-CZ3 4.01Å; D258-W262 PolarHBondContact O-N 2.93Å; S259-W262 WeakPolarHBondContact CA-O 3.35Å; S259-W262 CarbonylContact O-C 3.56Å; W262-L268 HydrophobicContact CB-CD2 4.06Å; W262-L268 VanDerWaalsContact CD1-CD2 3.44Å; W262-L268 HydrophobicContact CG-CD2 3.82Å; W262-S278 WeakPolarHBondContact O-CB 3.36Å; W262-S278 PolarHBondContact O-OG 3.24Å
263	P	95.6	Very high	97	Very high	55 Å²	55	41.9 Å²	41.9	36%	0.357	25%	0.246	S	C	.	.			trans	-66.2	160.9	-175.4	28.8	-35.3	0	0	0	111.7	S265 E266	P263-S265 PolarHBondContact O-N 3.3Å; P263-S265 VanDerWaalsContact O-N 3.09Å; P263-E266 HydrophobicContact CG-CB 4.24Å; P263-E266 WeakPolarHBondContact O-CB 3.43Å; P263-E266 PolarHBondContact O-N 3.27Å
264	S	95.5	Very high	96.9	Very high	85 Å²	85	42.9 Å²	42.9	59%	0.594	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.3	-179.9	56.6	0	0	0	0	114.4	E266 S277	S264-E266 PolarHBondContact O-N 3.13Å; S264-S277 VanDerWaalsContact O-CB 3.28Å; S264-S277 WeakPolarHBondContact O-CB 3.19Å; S264-S277 PolarHBondContact O-OG 3.14Å
265	S	96.2	Very high	97	Very high	106 Å²	106	46.3 Å²	46.3	74%	0.741	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.6	174.1	55.4	0	0	0	0	113.7	P263	P263-S265 PolarHBondContact O-N 3.3Å; P263-S265 VanDerWaalsContact O-N 3.09Å
266	E	96.9	Very high	97	Very high	25 Å²	25	46.2 Å²	46.2	12%	0.117	27%	0.27	C	S	.	.	S	Bend	trans	-105.6	112.8	-176.6	-168.5	179.8	138.7	0	0	110.9	P263 S264 L268 S277 R361	P263-E266 HydrophobicContact CG-CB 4.24Å; P263-E266 WeakPolarHBondContact O-CB 3.43Å; P263-E266 PolarHBondContact O-N 3.27Å; S264-E266 PolarHBondContact O-N 3.13Å; E266-L268 PolarHBondContact O-N 3.13Å; E266-S277 WeakPolarHBondContact O-CB 3.29Å; E266-R361 IonicContact OE1-NH1 3.44Å; E266-R361 PolarHBondContact OE1-NH1 3.14Å; E266-R361 IonicContact OE2-CZ 2.71Å; E266-R361 IonicContact OE2-NH1 2.91Å; E266-R361 PolarHBondContact OE2-NH1 3.31Å; E266-R361 IonicContact OE2-NH2 3.18Å
267	P	97.3	Very high	97	Very high	29 Å²	29	45.9 Å²	45.9	19%	0.188	27%	0.269	C	S	.	.			trans	-74.4	129.5	177	30.3	-34.6	0	0	0	111.1	I270 N275	P267-I270 HydrophobicContact CB-CG1 4.2Å; P267-I270 HydrophobicContact CG-CG1 4.3Å; P267-N275 HydrophobicContact CB-CB 3.9Å
268	L	97.9	Very high	96.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	27%	0.272	C	S	.	.	S	Bend	trans	-85.7	-39.2	172.5	-59.8	177.6	0	0	0	111	V220 P257 W262 E266 Y276 Y281 K329 I330	V220-L268 HydrophobicContact CG2-CD2 3.94Å; P257-L268 HydrophobicContact CB-CD1 3.95Å; P257-L268 HydrophobicContact CG-CD1 3.9Å; W262-L268 HydrophobicContact CB-CD2 4.06Å; W262-L268 VanDerWaalsContact CD1-CD2 3.44Å; W262-L268 HydrophobicContact CG-CD2 3.82Å; E266-L268 PolarHBondContact O-N 3.13Å; L268-Y276 PolarHBondContact N-O 3.49Å; L268-Y281 HydrophobicContact CD1-CE1 4.21Å; L268-K329 WeakPolarHBondContact O-CA 3.45Å; L268-I330 PolarHBondContact O-N 2.57Å
269	I	98.4	Very high	96.9	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.1	176.5	-55.4	165.3	0	0	0	109.2	V223 T271 N275 Y276 F284 I330 Y332 F342	V223-I269 HydrophobicContact CG1-CD1 3.33Å; V223-I269 HydrophobicContact CG1-CG1 3.92Å; I269-T271 HydrophobicContact CG2-CG2 4.02Å; I269-N275 CarbonylContact O-C 3.58Å; I269-N275 WeakPolarHBondContact O-CA 3.35Å; I269-Y276 HydrophobicContact CB-CD2 3.89Å; I269-Y276 HydrophobicContact CB-CG 4.49Å; I269-Y276 HydrophobicContact CG2-CD2 3.96Å; I269-Y276 PolarHBondContact N-O 2.87Å; I269-Y276 PolarHBondContact O-N 3.19Å; I269-F284 HydrophobicContact CD1-CD2 3.41Å; I269-F284 VanDerWaalsContact CD1-CD2 3.41Å; I269-F284 HydrophobicContact CD1-CE2 3.16Å; I269-F284 HydrophobicContact CD1-CG 4.32Å; I269-F284 HydrophobicContact CD1-CZ 3.91Å; I269-I330 CarbonylContact C-O 3.49Å; I269-I330 VanDerWaalsContact CA-O 3.31Å; I269-I330 WeakPolarHBondContact CA-O 3.35Å; I269-I330 HydrophobicContact CG1-CB 4.36Å; I269-I330 HydrophobicContact CG1-CD1 4.05Å; I269-Y332 HydrophobicContact CG2-CD2 3.87Å; I269-Y332 HydrophobicContact CG2-CE2 3.89Å; I269-F342 HydrophobicContact CG2-CE2 4.14Å
270	I	98.2	Very high	97	Very high	52 Å²	52	46.6 Å²	46.6	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.3	177.2	-60.1	166.6	0	0	0	107.4	P267 N275 K329 I330 A331 Y332 I350	P267-I270 HydrophobicContact CB-CG1 4.2Å; P267-I270 HydrophobicContact CG-CG1 4.3Å; I270-N275 WeakPolarHBondContact CA-OD1 3.28Å; I270-K329 HydrophobicContact CD1-CD 4.37Å; I270-I330 PolarHBondContact N-O 3.43Å; I270-A331 HydrophobicContact CB-CB 4.47Å; I270-A331 CarbonylContact O-C 3.59Å; I270-A331 WeakPolarHBondContact O-CA 3.31Å; I270-Y332 PolarHBondContact O-N 2.97Å; I270-I350 HydrophobicContact CD1-CD1 4.43Å
271	T	97.5	Very high	97.1	Very high	10 Å²	10	40.9 Å²	40.9	6%	0.061	26%	0.256	C	S	.	.			trans	-125.2	167	172.6	77.8	0	0	0	0	109	I269 T273 T274 Y276 Y332 F342	I269-T271 HydrophobicContact CG2-CG2 4.02Å; T271-T273 PolarHBondContact O-N 2.8Å; T271-T273 VanDerWaalsContact O-N 3.12Å; T271-T274 WeakPolarHBondContact CB-O 3.47Å; T271-T274 PolarHBondContact N-O 3Å; T271-T274 PolarHBondContact OG1-N 2.96Å; T271-T274 PolarHBondContact OG1-O 3.08Å; T271-Y276 HydrophobicContact CG2-CD2 4.48Å; T271-Y276 HydrophobicContact CG2-CE2 3.87Å; T271-Y332 HydrophobicContact CG2-CD2 4.31Å; T271-F342 HydrophobicContact CG2-CB 4.04Å; T271-F342 HydrophobicContact CG2-CD1 4.12Å; T271-F342 HydrophobicContact CG2-CD2 3.89Å; T271-F342 HydrophobicContact CG2-CE2 4.34Å; T271-F342 HydrophobicContact CG2-CG 3.75Å
272	P	96.1	Very high	97.1	Very high	81 Å²	81	45.7 Å²	45.7	53%	0.526	28%	0.278	S	S	.	.	S	Bend	trans	-60.2	-24.8	-179.5	-24.3	34.6	0	0	0	114.4	Y332 A334	P272-Y332 WeakPolarHBondContact CD-O 3.17Å; P272-A334 HydrophobicContact CB-CB 4.48Å; P272-A334 HydrophobicContact CG-CB 3.99Å
273	T	95	Very high	97.2	Very high	128 Å²	128	51.1 Å²	51.1	79%	0.785	30%	0.298	S	S	*	.	S	Bend	trans	-116.5	-18.5	-173.5	56.1	0	0	0	0	113.5	T271	T271-T273 PolarHBondContact O-N 2.8Å; T271-T273 VanDerWaalsContact O-N 3.12Å
274	T	96.1	Very high	97.3	Very high	21 Å²	21	48.5 Å²	48.5	13%	0.129	28%	0.282	C	S	.	.			trans	-154.7	141.1	-172.5	-66.3	0	0	0	0	111.4	T271 Y276 R283	T271-T274 WeakPolarHBondContact CB-O 3.47Å; T271-T274 PolarHBondContact N-O 3Å; T271-T274 PolarHBondContact OG1-N 2.96Å; T271-T274 PolarHBondContact OG1-O 3.08Å; T274-Y276 HydrophobicContact CG2-CD1 4.22Å; T274-Y276 HydrophobicContact CG2-CD2 4.28Å; T274-Y276 HydrophobicContact CG2-CE1 3.74Å; T274-Y276 HydrophobicContact CG2-CE2 3.82Å; T274-Y276 HydrophobicContact CG2-CG 4.48Å; T274-R283 VanDerWaalsContact CG2-CZ 3.47Å; T274-R283 PolarHBondContact OG1-NH2 3.43Å
275	N	97.8	Very high	97.4	Very high	86 Å²	86	44.5 Å²	44.5	46%	0.46	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	145.5	168.5	-68.6	-15.7	0	0	0	109.5	P267 I269 I270	P267-N275 HydrophobicContact CB-CB 3.9Å; I269-N275 CarbonylContact O-C 3.58Å; I269-N275 WeakPolarHBondContact O-CA 3.35Å; I270-N275 WeakPolarHBondContact CA-OD1 3.28Å
276	Y	98.5	Very high	97.5	Very high	9 Å²	9	46.4 Å²	46.4	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.4	177.4	-50.6	-94.8	0	0	0	109.5	L268 I269 T271 T274 D280 R283 F284 D287 F342	L268-Y276 PolarHBondContact N-O 3.49Å; I269-Y276 HydrophobicContact CB-CD2 3.89Å; I269-Y276 HydrophobicContact CB-CG 4.49Å; I269-Y276 HydrophobicContact CG2-CD2 3.96Å; I269-Y276 PolarHBondContact N-O 2.87Å; I269-Y276 PolarHBondContact O-N 3.19Å; T271-Y276 HydrophobicContact CG2-CD2 4.48Å; T271-Y276 HydrophobicContact CG2-CE2 3.87Å; T274-Y276 HydrophobicContact CG2-CD1 4.22Å; T274-Y276 HydrophobicContact CG2-CD2 4.28Å; T274-Y276 HydrophobicContact CG2-CE1 3.74Å; T274-Y276 HydrophobicContact CG2-CE2 3.82Å; T274-Y276 HydrophobicContact CG2-CG 4.48Å; Y276-D280 HydrophobicContact CD1-CB 4.27Å; Y276-R283 HydrophobicContact CE1-CG 4.17Å; Y276-F284 HydrophobicContact CD1-CB 3.73Å; Y276-F284 HydrophobicContact CD1-CD2 4.46Å; Y276-F284 HydrophobicContact CE1-CB 4.22Å; Y276-F284 HydrophobicContact CG-CB 4.26Å; Y276-F284 HydrophobicContact CG-CD2 4.41Å; Y276-D287 HydrophobicContact CE1-CB 4.28Å; Y276-D287 WeakPolarHBondContact CE1-OD2 3.22Å; Y276-D287 WeakPolarHBondContact OH-CB 3.03Å; Y276-D287 PolarHBondContact OH-OD2 2.84Å; Y276-F342 HydrophobicContact CE2-CE1 4.04Å; Y276-F342 HydrophobicContact CE2-CZ 4.03Å
277	S	98.2	Very high	97.6	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.028	26%	0.259	C	S	.	.			trans	-95.5	-177.2	171.2	73.1	0	0	0	0	111.2	S264 E266 A279 D280	S264-S277 VanDerWaalsContact O-CB 3.28Å; S264-S277 WeakPolarHBondContact O-CB 3.19Å; S264-S277 PolarHBondContact O-OG 3.14Å; E266-S277 WeakPolarHBondContact O-CB 3.29Å; S277-A279 PolarHBondContact O-N 2.81Å; S277-A279 PolarHBondContact OG-N 3.41Å; S277-A279 VanDerWaalsContact OG-N 3.13Å; S277-D280 WeakPolarHBondContact CB-OD2 3.45Å; S277-D280 PolarHBondContact N-OD2 2.83Å; S277-D280 PolarHBondContact O-N 3.08Å; S277-D280 VanDerWaalsContact O-N 3.13Å; S277-D280 PolarHBondContact OG-OD2 2.81Å
278	S	96.7	Very high	97.6	Very high	8 Å²	8	47.2 Å²	47.2	6%	0.056	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.2	170.1	60.5	0	0	0	0	113.6	W262 Y281	W262-S278 WeakPolarHBondContact O-CB 3.36Å; W262-S278 PolarHBondContact O-OG 3.24Å; S278-Y281 VanDerWaalsContact O-CD2 3.31Å; S278-Y281 WeakPolarHBondContact O-CD2 3.48Å; S278-Y281 VanDerWaalsContact O-CE2 3.28Å; S278-Y281 WeakPolarHBondContact O-CE2 3.32Å
279	A	96.3	Very high	97.6	Very high	70 Å²	70	54.3 Å²	54.3	58%	0.579	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.7	176.1	0	0	0	0	0	113.2	S277	S277-A279 PolarHBondContact O-N 2.81Å; S277-A279 PolarHBondContact OG-N 3.41Å; S277-A279 VanDerWaalsContact OG-N 3.13Å
280	D	97.9	Very high	97.5	Very high	50 Å²	50	56.5 Å²	56.5	27%	0.267	30%	0.298	S	S	.	.			trans	-101.6	16.1	-170.7	-61.5	-66.9	0	0	0	113.5	Y276 S277 E282 R283 F284	Y276-D280 HydrophobicContact CD1-CB 4.27Å; S277-D280 WeakPolarHBondContact CB-OD2 3.45Å; S277-D280 PolarHBondContact N-OD2 2.83Å; S277-D280 PolarHBondContact O-N 3.08Å; S277-D280 VanDerWaalsContact O-N 3.13Å; S277-D280 PolarHBondContact OG-OD2 2.81Å; D280-E282 VanDerWaalsContact C-N 3.33Å; D280-E282 PolarHBondContact O-N 3.15Å; D280-R283 PolarHBondContact O-N 3.33Å; D280-R283 VanDerWaalsContact O-N 3.14Å; D280-F284 WeakPolarHBondContact O-CB 3.44Å; D280-F284 PolarHBondContact O-N 3.33Å
281	Y	97.9	Very high	97.5	Very high	9 Å²	9	58.3 Å²	58.3	4%	0.035	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-38.9	-173.6	-67.1	-32.7	0	0	0	114.2	V223 F256 P257 L268 S278 R283 F284 F285 W297	V223-Y281 HydrophobicContact CG2-CE1 4.44Å; F256-Y281 HydrophobicContact CB-CE2 4.13Å; F256-Y281 AromaticContact CD2-CD1 3.71Å; F256-Y281 HydrophobicContact CD2-CD1 3.71Å; F256-Y281 AromaticContact CD2-CD2 3.99Å; F256-Y281 HydrophobicContact CD2-CD2 3.99Å; F256-Y281 AromaticContact CD2-CE1 3.54Å; F256-Y281 HydrophobicContact CD2-CE1 3.54Å; F256-Y281 AromaticContact CD2-CE2 3.82Å; F256-Y281 HydrophobicContact CD2-CE2 3.82Å; F256-Y281 AromaticContact CD2-CG 3.95Å; F256-Y281 HydrophobicContact CD2-CG 3.95Å; F256-Y281 AromaticContact CD2-CZ 3.6Å; F256-Y281 AromaticContact CE2-CD1 3.83Å; F256-Y281 HydrophobicContact CE2-CD1 3.83Å; F256-Y281 AromaticContact CE2-CE1 3.95Å; F256-Y281 HydrophobicContact CE2-CE1 3.95Å; F256-Y281 HydrophobicContact CE2-CG 4.26Å; F256-Y281 HydrophobicContact CG-CE1 4.5Å; F256-Y281 HydrophobicContact CG-CE2 4.49Å; P257-Y281 WeakPolarHBondContact CB-OH 3.36Å; P257-Y281 WeakPolarHBondContact CD-OH 3.24Å; P257-Y281 PolarHBondContact O-OH 3.43Å; L268-Y281 HydrophobicContact CD1-CE1 4.21Å; S278-Y281 VanDerWaalsContact O-CD2 3.31Å; S278-Y281 WeakPolarHBondContact O-CD2 3.48Å; S278-Y281 VanDerWaalsContact O-CE2 3.28Å; S278-Y281 WeakPolarHBondContact O-CE2 3.32Å; Y281-R283 PolarHBondContact O-N 2.79Å; Y281-F284 PolarHBondContact O-N 2.92Å; Y281-F285 WeakPolarHBondContact O-CD2 3.07Å; Y281-F285 PolarHBondContact O-N 3.38Å; Y281-W297 HydrophobicContact CD2-CD2 4.17Å; Y281-W297 AromaticContact CD2-CE2 3.57Å; Y281-W297 HydrophobicContact CD2-CH2 4.36Å; Y281-W297 AromaticContact CD2-CZ2 3.69Å; Y281-W297 HydrophobicContact CD2-CZ2 3.69Å; Y281-W297 AromaticContact CD2-NE1 3.7Å; Y281-W297 AromaticContact CE2-CE2 3.99Å; Y281-W297 HydrophobicContact CE2-CZ2 4.07Å; Y281-W297 AromaticContact CE2-NE1 3.77Å
282	E	98.2	Very high	97.4	Very high	124 Å²	124	60.9 Å²	60.9	58%	0.579	32%	0.324	S	S	*	.	H	α-helix	trans	-60.2	-48.8	176.3	-174.6	169.8	-154.8	0	0	111.4	D280 F285 K286 Y294	D280-E282 VanDerWaalsContact C-N 3.33Å; D280-E282 PolarHBondContact O-N 3.15Å; E282-F285 PolarHBondContact O-N 2.87Å; E282-K286 WeakPolarHBondContact O-CB 3.34Å; E282-K286 PolarHBondContact O-N 2.85Å; E282-Y294 HydrophobicContact CB-CD1 4.05Å; E282-Y294 HydrophobicContact CB-CD2 4.1Å; E282-Y294 HydrophobicContact CB-CE1 3.7Å; E282-Y294 HydrophobicContact CB-CE2 3.77Å; E282-Y294 HydrophobicContact CB-CG 4.24Å; E282-Y294 HydrophobicContact CG-CD1 3.82Å; E282-Y294 HydrophobicContact CG-CE1 3.62Å; E282-Y294 HydrophobicContact CG-CG 4.39Å
283	R	98.2	Very high	97.5	Very high	119 Å²	119	57 Å²	57	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-45	177.9	-175.9	-175.8	173.4	175.6	0.9	111	T274 Y276 D280 Y281 F285 K286 D287	T274-R283 VanDerWaalsContact CG2-CZ 3.47Å; T274-R283 PolarHBondContact OG1-NH2 3.43Å; Y276-R283 HydrophobicContact CE1-CG 4.17Å; D280-R283 PolarHBondContact O-N 3.33Å; D280-R283 VanDerWaalsContact O-N 3.14Å; Y281-R283 PolarHBondContact O-N 2.79Å; R283-F285 PolarHBondContact O-N 2.88Å; R283-K286 WeakPolarHBondContact O-CB 3.45Å; R283-K286 PolarHBondContact O-N 3.31Å; R283-D287 WeakPolarHBondContact CG-OD2 3.22Å; R283-D287 IonicContact NE-OD2 2.69Å; R283-D287 PolarHBondContact NE-OD2 3.42Å; R283-D287 WeakPolarHBondContact O-CB 3.41Å; R283-D287 VanDerWaalsContact O-CG 3.25Å; R283-D287 PolarHBondContact O-N 2.88Å
284	F	98.3	Very high	97.6	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-54.2	-52	176.5	165.7	-107.3	0	0	0	111.7	V223 E226 A227 F256 I269 Y276 D280 Y281 K286 D287 I288 F342	V223-F284 HydrophobicContact CG1-CE1 4.05Å; V223-F284 HydrophobicContact CG1-CE2 4.31Å; V223-F284 HydrophobicContact CG1-CZ 3.88Å; E226-F284 HydrophobicContact CB-CE1 4.06Å; E226-F284 HydrophobicContact CB-CZ 4.17Å; A227-F284 HydrophobicContact CB-CE2 3.98Å; A227-F284 HydrophobicContact CB-CZ 3.93Å; F256-F284 HydrophobicContact CE2-CE1 4.36Å; F256-F284 HydrophobicContact CZ-CE1 4.22Å; I269-F284 HydrophobicContact CD1-CD2 3.41Å; I269-F284 VanDerWaalsContact CD1-CD2 3.41Å; I269-F284 HydrophobicContact CD1-CE2 3.16Å; I269-F284 HydrophobicContact CD1-CG 4.32Å; I269-F284 HydrophobicContact CD1-CZ 3.91Å; Y276-F284 HydrophobicContact CD1-CB 3.73Å; Y276-F284 HydrophobicContact CD1-CD2 4.46Å; Y276-F284 HydrophobicContact CE1-CB 4.22Å; Y276-F284 HydrophobicContact CG-CB 4.26Å; Y276-F284 HydrophobicContact CG-CD2 4.41Å; D280-F284 WeakPolarHBondContact O-CB 3.44Å; D280-F284 PolarHBondContact O-N 3.33Å; Y281-F284 PolarHBondContact O-N 2.92Å; F284-K286 VanDerWaalsContact C-N 3.31Å; F284-K286 PolarHBondContact O-N 3.31Å; F284-D287 PolarHBondContact O-N 3.04Å; F284-I288 HydrophobicContact CD1-CD1 4.48Å; F284-I288 HydrophobicContact CD2-CG2 4.11Å; F284-I288 HydrophobicContact CE1-CD1 3.83Å; F284-I288 HydrophobicContact CE2-CD1 4.32Å; F284-I288 HydrophobicContact CE2-CG2 3.71Å; F284-I288 HydrophobicContact CZ-CD1 3.75Å; F284-I288 HydrophobicContact CZ-CG2 4.2Å; F284-I288 WeakPolarHBondContact O-CG1 3.46Å; F284-I288 PolarHBondContact O-N 3.09Å; F284-F342 HydrophobicContact CD2-CZ 4.01Å; F284-F342 HydrophobicContact CE2-CE2 4.23Å; F284-F342 AromaticContact CE2-CZ 3.85Å; F284-F342 HydrophobicContact CE2-CZ 3.85Å
285	F	98.5	Very high	97.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-34	-179.8	-82.9	-65.3	0	0	0	113.1	E226 T253 F256 Y281 E282 R283 I288 N289 Y290 Y294 W297	E226-F285 HydrophobicContact CB-CE1 4.18Å; E226-F285 HydrophobicContact CG-CE1 4.05Å; E226-F285 HydrophobicContact CG-CZ 4.12Å; T253-F285 HydrophobicContact CG2-CZ 3.85Å; F256-F285 AromaticContact CE2-CE2 3.64Å; F256-F285 HydrophobicContact CE2-CE2 3.64Å; F256-F285 AromaticContact CE2-CZ 3.7Å; F256-F285 HydrophobicContact CE2-CZ 3.7Å; F256-F285 HydrophobicContact CZ-CE2 4.06Å; F256-F285 AromaticContact CZ-CZ 3.6Å; F256-F285 HydrophobicContact CZ-CZ 3.6Å; Y281-F285 WeakPolarHBondContact O-CD2 3.07Å; Y281-F285 PolarHBondContact O-N 3.38Å; E282-F285 PolarHBondContact O-N 2.87Å; R283-F285 PolarHBondContact O-N 2.88Å; F285-I288 HydrophobicContact CD1-CD1 3.87Å; F285-I288 HydrophobicContact CD1-CG1 4.46Å; F285-I288 HydrophobicContact CE1-CD1 4.26Å; F285-I288 WeakPolarHBondContact O-CG1 3.36Å; F285-N289 PolarHBondContact O-N 2.95Å; F285-Y290 HydrophobicContact CD1-CD1 4.23Å; F285-Y290 VanDerWaalsContact CD1-O 3.28Å; F285-Y290 WeakPolarHBondContact CD1-O 3.45Å; F285-Y290 HydrophobicContact CE1-CD1 4.26Å; F285-Y290 CarbonylContact O-C 3.53Å; F285-Y290 PolarHBondContact O-N 3.13Å; F285-Y294 VanDerWaalsContact CD2-CA 3.46Å; F285-Y294 HydrophobicContact CD2-CD2 4.12Å; F285-Y294 HydrophobicContact CD2-CG 4.34Å; F285-W297 HydrophobicContact CE2-CB 4.42Å
286	K	98.3	Very high	97.7	Very high	146 Å²	146	50.8 Å²	50.8	64%	0.635	26%	0.256	S	S	*	.	H	α-helix	trans	-63.3	-48.3	171.6	-176	-178	177.7	-177.8	0	111.2	E282 R283 F284 I288 N289 T291	E282-K286 WeakPolarHBondContact O-CB 3.34Å; E282-K286 PolarHBondContact O-N 2.85Å; R283-K286 WeakPolarHBondContact O-CB 3.45Å; R283-K286 PolarHBondContact O-N 3.31Å; F284-K286 VanDerWaalsContact C-N 3.31Å; F284-K286 PolarHBondContact O-N 3.31Å; K286-I288 VanDerWaalsContact C-N 3.32Å; K286-I288 PolarHBondContact O-N 3.24Å; K286-N289 PolarHBondContact O-N 3.48Å; K286-T291 HydrophobicContact CB-CG2 4.44Å
287	D	97.9	Very high	97.6	Very high	66 Å²	66	52.7 Å²	52.7	35%	0.353	26%	0.263	S	S	.	.	H	α-helix	trans	-71.6	-24.9	-174	-67.9	-10.4	0	0	0	112.4	Y276 R283 F284 N289 F342	Y276-D287 HydrophobicContact CE1-CB 4.28Å; Y276-D287 WeakPolarHBondContact CE1-OD2 3.22Å; Y276-D287 WeakPolarHBondContact OH-CB 3.03Å; Y276-D287 PolarHBondContact OH-OD2 2.84Å; R283-D287 WeakPolarHBondContact CG-OD2 3.22Å; R283-D287 IonicContact NE-OD2 2.69Å; R283-D287 PolarHBondContact NE-OD2 3.42Å; R283-D287 WeakPolarHBondContact O-CB 3.41Å; R283-D287 VanDerWaalsContact O-CG 3.25Å; R283-D287 PolarHBondContact O-N 2.88Å; F284-D287 PolarHBondContact O-N 3.04Å; D287-N289 VanDerWaalsContact C-N 3.3Å; D287-F342 HydrophobicContact CB-CE1 4.49Å
288	I	97.4	Very high	97.6	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.031	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	7.5	170.3	70.2	174.4	0	0	0	114.5	E226 F284 F285 K286 Y290 F342 P343	E226-I288 HydrophobicContact CB-CD1 4.48Å; F284-I288 HydrophobicContact CD1-CD1 4.48Å; F284-I288 HydrophobicContact CD2-CG2 4.11Å; F284-I288 HydrophobicContact CE1-CD1 3.83Å; F284-I288 HydrophobicContact CE2-CD1 4.32Å; F284-I288 HydrophobicContact CE2-CG2 3.71Å; F284-I288 HydrophobicContact CZ-CD1 3.75Å; F284-I288 HydrophobicContact CZ-CG2 4.2Å; F284-I288 WeakPolarHBondContact O-CG1 3.46Å; F284-I288 PolarHBondContact O-N 3.09Å; F285-I288 HydrophobicContact CD1-CD1 3.87Å; F285-I288 HydrophobicContact CD1-CG1 4.46Å; F285-I288 HydrophobicContact CE1-CD1 4.26Å; F285-I288 WeakPolarHBondContact O-CG1 3.36Å; K286-I288 VanDerWaalsContact C-N 3.32Å; K286-I288 PolarHBondContact O-N 3.24Å; I288-Y290 PolarHBondContact O-N 3.09Å; I288-F342 HydrophobicContact CG2-CE1 3.69Å; I288-F342 HydrophobicContact CG2-CE2 4.09Å; I288-F342 HydrophobicContact CG2-CZ 3.3Å; I288-P343 HydrophobicContact CB-CB 4.2Å; I288-P343 HydrophobicContact CB-CG 3.97Å; I288-P343 HydrophobicContact CG2-CB 3.73Å; I288-P343 HydrophobicContact CG2-CG 3.99Å
289	N	97.3	Very high	97.6	Very high	149 Å²	149	58 Å²	58	80%	0.797	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	46.6	-176.2	-166	29	0	0	0	113.3	F285 K286 D287	F285-N289 PolarHBondContact O-N 2.95Å; K286-N289 PolarHBondContact O-N 3.48Å; D287-N289 VanDerWaalsContact C-N 3.3Å
290	Y	97.3	Very high	97.6	Very high	47 Å²	47	54.7 Å²	54.7	18%	0.184	26%	0.259	C	S	.	.			trans	-143.9	57.4	179	-165.2	-116.4	0	0	0	112.3	R247 F285 I288 I292 G293	R247-Y290 HydrophobicContact CB-CD1 4.16Å; R247-Y290 HydrophobicContact CB-CE1 3.58Å; R247-Y290 HydrophobicContact CB-CE2 4.36Å; R247-Y290 HydrophobicContact CG-CD1 4.04Å; R247-Y290 HydrophobicContact CG-CE1 3.97Å; R247-Y290 WeakPolarHBondContact O-CE1 3.02Å; R247-Y290 PolarHBondContact O-OH 2.74Å; F285-Y290 HydrophobicContact CD1-CD1 4.23Å; F285-Y290 VanDerWaalsContact CD1-O 3.28Å; F285-Y290 WeakPolarHBondContact CD1-O 3.45Å; F285-Y290 HydrophobicContact CE1-CD1 4.26Å; F285-Y290 CarbonylContact O-C 3.53Å; F285-Y290 PolarHBondContact O-N 3.13Å; I288-Y290 PolarHBondContact O-N 3.09Å; Y290-I292 HydrophobicContact CE2-CB 4.35Å; Y290-I292 PolarHBondContact O-N 3.16Å; Y290-I292 VanDerWaalsContact O-N 3.11Å; Y290-G293 PolarHBondContact O-N 3.19Å
291	T	97.2	Very high	97.4	Very high	90 Å²	90	56.5 Å²	56.5	55%	0.552	27%	0.266	S	S	*	.	H	α-helix	trans	-59.5	-24.7	-177.1	53.6	0	0	0	0	114.2	K286 G293 Y294 Q295	K286-T291 HydrophobicContact CB-CG2 4.44Å; T291-G293 PolarHBondContact O-N 3.43Å; T291-Y294 WeakPolarHBondContact O-CB 3.47Å; T291-Y294 PolarHBondContact O-N 2.89Å; T291-Y294 VanDerWaalsContact O-N 3.11Å; T291-Q295 PolarHBondContact O-N 2.75Å
292	I	96.9	Very high	97.3	Very high	64 Å²	64	60.1 Å²	60.1	33%	0.328	29%	0.293	S	S	.	.	H	α-helix	trans	-58.2	-36.3	173.4	-69.1	174.3	0	0	0	111.4	Y82 Y290 Y294 Q295 M296	Y82-I292 HydrophobicContact CD1-CG2 3.45Å; Y82-I292 VanDerWaalsContact CD1-CG2 3.45Å; Y82-I292 HydrophobicContact CE1-CG2 4.01Å; Y82-I292 HydrophobicContact CG-CG2 4.2Å; Y290-I292 HydrophobicContact CE2-CB 4.35Å; Y290-I292 PolarHBondContact O-N 3.16Å; Y290-I292 VanDerWaalsContact O-N 3.11Å; I292-Y294 VanDerWaalsContact C-N 3.26Å; I292-Y294 PolarHBondContact O-N 3.25Å; I292-Q295 WeakPolarHBondContact O-CA 3.24Å; I292-Q295 WeakPolarHBondContact O-CB 3.22Å; I292-Q295 PolarHBondContact O-N 2.69Å; I292-M296 HydrophobicContact CG2-CE 3.89Å; I292-M296 HydrophobicContact CG2-CG 4.44Å; I292-M296 HydrophobicContact CG2-SD 4.44Å; I292-M296 PolarHBondContact O-N 3.4Å
293	G	97.5	Very high	97.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-32.8	177.2	0	0	0	0	0	112.9	Y290 T291 Q295 M296 W297	Y290-G293 PolarHBondContact O-N 3.19Å; T291-G293 PolarHBondContact O-N 3.43Å; G293-Q295 VanDerWaalsContact C-N 3.34Å; G293-M296 PolarHBondContact O-N 3.4Å; G293-W297 PolarHBondContact O-N 3.22Å
294	Y	97.6	Very high	97.1	Very high	47 Å²	47	51.4 Å²	51.4	18%	0.184	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-35.9	173.2	-175.1	-120.6	0	0	0	112.1	E282 F285 T291 I292 W297 K298	E282-Y294 HydrophobicContact CB-CD1 4.05Å; E282-Y294 HydrophobicContact CB-CD2 4.1Å; E282-Y294 HydrophobicContact CB-CE1 3.7Å; E282-Y294 HydrophobicContact CB-CE2 3.77Å; E282-Y294 HydrophobicContact CB-CG 4.24Å; E282-Y294 HydrophobicContact CG-CD1 3.82Å; E282-Y294 HydrophobicContact CG-CE1 3.62Å; E282-Y294 HydrophobicContact CG-CG 4.39Å; F285-Y294 VanDerWaalsContact CD2-CA 3.46Å; F285-Y294 HydrophobicContact CD2-CD2 4.12Å; F285-Y294 HydrophobicContact CD2-CG 4.34Å; T291-Y294 WeakPolarHBondContact O-CB 3.47Å; T291-Y294 PolarHBondContact O-N 2.89Å; T291-Y294 VanDerWaalsContact O-N 3.11Å; I292-Y294 VanDerWaalsContact C-N 3.26Å; I292-Y294 PolarHBondContact O-N 3.25Å; Y294-W297 AromaticContact CD2-CE3 3.96Å; Y294-W297 HydrophobicContact CD2-CE3 3.96Å; Y294-W297 AromaticContact CE2-CE3 3.53Å; Y294-W297 HydrophobicContact CE2-CE3 3.53Å; Y294-W297 AromaticContact CE2-CZ3 3.73Å; Y294-W297 HydrophobicContact CE2-CZ3 3.73Å; Y294-W297 PolarHBondContact O-N 3.06Å; Y294-K298 HydrophobicContact CD1-CD 4.24Å; Y294-K298 HydrophobicContact CE1-CD 3.7Å; Y294-K298 HydrophobicContact CE1-CG 4.14Å; Y294-K298 HydrophobicContact CE2-CG 4.34Å; Y294-K298 WeakPolarHBondContact O-CG 2.93Å; Y294-K298 PolarHBondContact O-N 2.95Å
295	Q	97.4	Very high	97	Very high	57 Å²	57	53.6 Å²	53.6	27%	0.266	27%	0.271	S	S	.	.	H	α-helix	trans	-66.6	-43.5	174.3	-170	60.3	54.6	0	0	111.2	Y82 T291 I292 G293 W297 K298 D299	Y82-Q295 HydrophobicContact CE1-CB 4.39Å; Y82-Q295 HydrophobicContact CE1-CG 4.21Å; Y82-Q295 WeakPolarHBondContact OH-CG 3.43Å; T291-Q295 PolarHBondContact O-N 2.75Å; I292-Q295 WeakPolarHBondContact O-CA 3.24Å; I292-Q295 WeakPolarHBondContact O-CB 3.22Å; I292-Q295 PolarHBondContact O-N 2.69Å; G293-Q295 VanDerWaalsContact C-N 3.34Å; Q295-W297 VanDerWaalsContact C-N 3.3Å; Q295-W297 PolarHBondContact O-N 3.44Å; Q295-K298 PolarHBondContact O-N 3.02Å; Q295-D299 PolarHBondContact NE2-OD1 2.87Å; Q295-D299 VanDerWaalsContact O-CG 3.29Å; Q295-D299 PolarHBondContact O-N 3.09Å
296	M	97.9	Very high	96.9	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-43.1	172.3	-66.2	171.2	170.1	0	0	111.8	Y82 P250 T253 I292 G293 D299 T300	Y82-M296 HydrophobicContact CD1-CE 4.05Å; Y82-M296 HydrophobicContact CD1-CG 4.23Å; Y82-M296 HydrophobicContact CD2-CE 3.77Å; Y82-M296 HydrophobicContact CD2-CG 3.81Å; Y82-M296 HydrophobicContact CE1-CG 4.12Å; Y82-M296 HydrophobicContact CE2-CG 3.76Å; Y82-M296 HydrophobicContact CG-CE 3.42Å; Y82-M296 VanDerWaalsContact CG-CE 3.42Å; Y82-M296 HydrophobicContact CG-CG 4.05Å; P250-M296 HydrophobicContact CB-CB 4.32Å; P250-M296 HydrophobicContact CB-CG 4.43Å; P250-M296 HydrophobicContact CG-CE 4.3Å; P250-M296 HydrophobicContact CG-CG 4.2Å; P250-M296 HydrophobicContact CG-SD 4.2Å; T253-M296 HydrophobicContact CG2-CB 4.35Å; I292-M296 HydrophobicContact CG2-CE 3.89Å; I292-M296 HydrophobicContact CG2-CG 4.44Å; I292-M296 HydrophobicContact CG2-SD 4.44Å; I292-M296 PolarHBondContact O-N 3.4Å; G293-M296 PolarHBondContact O-N 3.4Å; M296-D299 PolarHBondContact O-N 3.46Å; M296-T300 WeakPolarHBondContact O-CB 3.28Å; M296-T300 VanDerWaalsContact O-CG2 3.25Å; M296-T300 WeakPolarHBondContact O-CG2 3.38Å; M296-T300 PolarHBondContact O-N 3.18Å; M296-T300 PolarHBondContact O-OG1 2.99Å
297	W	97.5	Very high	96.9	Very high	49 Å²	49	47.2 Å²	47.2	19%	0.186	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-49	175.7	178.8	83.1	0	0	0	111.4	F256 Y281 F285 G293 Y294 Q295 D299 T300 H301	F256-W297 AromaticContact CD2-CD1 3.86Å; F256-W297 AromaticContact CG-CD1 3.98Å; Y281-W297 HydrophobicContact CD2-CD2 4.17Å; Y281-W297 AromaticContact CD2-CE2 3.57Å; Y281-W297 HydrophobicContact CD2-CH2 4.36Å; Y281-W297 AromaticContact CD2-CZ2 3.69Å; Y281-W297 HydrophobicContact CD2-CZ2 3.69Å; Y281-W297 AromaticContact CD2-NE1 3.7Å; Y281-W297 AromaticContact CE2-CE2 3.99Å; Y281-W297 HydrophobicContact CE2-CZ2 4.07Å; Y281-W297 AromaticContact CE2-NE1 3.77Å; F285-W297 HydrophobicContact CE2-CB 4.42Å; G293-W297 PolarHBondContact O-N 3.22Å; Y294-W297 AromaticContact CD2-CE3 3.96Å; Y294-W297 HydrophobicContact CD2-CE3 3.96Å; Y294-W297 AromaticContact CE2-CE3 3.53Å; Y294-W297 HydrophobicContact CE2-CE3 3.53Å; Y294-W297 AromaticContact CE2-CZ3 3.73Å; Y294-W297 HydrophobicContact CE2-CZ3 3.73Å; Y294-W297 PolarHBondContact O-N 3.06Å; Q295-W297 VanDerWaalsContact C-N 3.3Å; Q295-W297 PolarHBondContact O-N 3.44Å; W297-D299 VanDerWaalsContact C-N 3.26Å; W297-D299 PolarHBondContact O-N 3.1Å; W297-T300 PolarHBondContact O-N 3.18Å; W297-T300 PolarHBondContact O-OG1 3.23Å; W297-H301 HydrophobicContact CD2-CB 4.17Å; W297-H301 AromaticContact CE2-CG 3.96Å; W297-H301 HydrophobicContact CG-CB 4.45Å; W297-H301 HydrophobicContact CZ2-CB 3.99Å; W297-H301 AromaticContact CZ2-CG 3.86Å; W297-H301 WeakPolarHBondContact O-CB 3.49Å; W297-H301 PolarHBondContact O-CD2 3.44Å; W297-H301 VanDerWaalsContact O-CD2 3.27Å; W297-H301 PolarHBondContact O-N 2.72Å
298	K	96.9	Very high	96.9	Very high	79 Å²	79	48 Å²	48	34%	0.343	25%	0.246	S	C	.	.	H	α-helix	trans	-57	-39.4	177.1	-75.5	-172.4	-60.5	176.7	0	112.7	Y294 Q295 T300 H301	Y294-K298 HydrophobicContact CD1-CD 4.24Å; Y294-K298 HydrophobicContact CE1-CD 3.7Å; Y294-K298 HydrophobicContact CE1-CG 4.14Å; Y294-K298 HydrophobicContact CE2-CG 4.34Å; Y294-K298 WeakPolarHBondContact O-CG 2.93Å; Y294-K298 PolarHBondContact O-N 2.95Å; Q295-K298 PolarHBondContact O-N 3.02Å; K298-T300 VanDerWaalsContact C-N 3.25Å; K298-T300 PolarHBondContact O-N 3.49Å; K298-H301 PolarHBondContact O-CD2 3.36Å; K298-H301 VanDerWaalsContact O-CD2 3.31Å
299	D	96.6	Very high	96.8	Very high	44 Å²	44	50.4 Å²	50.4	24%	0.235	26%	0.258	C	S	.	.	H	α-helix	trans	-72.3	-19.8	-179.5	-68.9	6.1	0	0	0	113.1	Y82 G87 Q295 M296 W297	Y82-D299 PolarHBondContact OH-OD2 2.65Å; G87-D299 VanDerWaalsContact CA-OD2 3.24Å; G87-D299 WeakPolarHBondContact CA-OD2 3.49Å; Q295-D299 PolarHBondContact NE2-OD1 2.87Å; Q295-D299 VanDerWaalsContact O-CG 3.29Å; Q295-D299 PolarHBondContact O-N 3.09Å; M296-D299 PolarHBondContact O-N 3.46Å; W297-D299 VanDerWaalsContact C-N 3.26Å; W297-D299 PolarHBondContact O-N 3.1Å
300	T	96.7	Very high	96.8	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-118.1	-31.9	-167.3	58.7	0	0	0	0	115	A151 P250 F254 M296 W297 K298 S302 L303	A151-T300 HydrophobicContact CB-CG2 3.35Å; P250-T300 HydrophobicContact CB-CG2 4.09Å; F254-T300 VanDerWaalsContact CD2-O 3.29Å; F254-T300 WeakPolarHBondContact CD2-O 3.37Å; M296-T300 WeakPolarHBondContact O-CB 3.28Å; M296-T300 VanDerWaalsContact O-CG2 3.25Å; M296-T300 WeakPolarHBondContact O-CG2 3.38Å; M296-T300 PolarHBondContact O-N 3.18Å; M296-T300 PolarHBondContact O-OG1 2.99Å; W297-T300 PolarHBondContact O-N 3.18Å; W297-T300 PolarHBondContact O-OG1 3.23Å; K298-T300 VanDerWaalsContact C-N 3.25Å; K298-T300 PolarHBondContact O-N 3.49Å; T300-S302 PolarHBondContact O-N 3.18Å; T300-S302 VanDerWaalsContact O-N 3.08Å; T300-L303 HydrophobicContact CG2-CD1 4.22Å; T300-L303 WeakPolarHBondContact O-CB 3.25Å; T300-L303 VanDerWaalsContact O-CG 3.23Å; T300-L303 WeakPolarHBondContact O-CG 3.23Å; T300-L303 PolarHBondContact O-N 3.11Å; T300-L303 VanDerWaalsContact O-N 3.11Å
301	H	94.5	Very high	96.7	Very high	87 Å²	87	45.7 Å²	45.7	40%	0.403	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.9	-169.6	79.8	94.4	0	0	0	114.5	W297 K298	W297-H301 HydrophobicContact CD2-CB 4.17Å; W297-H301 AromaticContact CE2-CG 3.96Å; W297-H301 HydrophobicContact CG-CB 4.45Å; W297-H301 HydrophobicContact CZ2-CB 3.99Å; W297-H301 AromaticContact CZ2-CG 3.86Å; W297-H301 WeakPolarHBondContact O-CB 3.49Å; W297-H301 PolarHBondContact O-CD2 3.44Å; W297-H301 VanDerWaalsContact O-CD2 3.27Å; W297-H301 PolarHBondContact O-N 2.72Å; K298-H301 PolarHBondContact O-CD2 3.36Å; K298-H301 VanDerWaalsContact O-CD2 3.31Å
302	S	94.8	Very high	96.7	Very high	86 Å²	86	42.2 Å²	42.2	60%	0.601	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	2.5	-177.1	57.2	0	0	0	0	113.7	T300 V304	T300-S302 PolarHBondContact O-N 3.18Å; T300-S302 VanDerWaalsContact O-N 3.08Å; S302-V304 VanDerWaalsContact C-N 3.25Å; S302-V304 PolarHBondContact O-N 3.36Å
303	L	96.1	Very high	96.7	Very high	45 Å²	45	39.8 Å²	39.8	24%	0.236	21%	0.21	C	C	.	.	S	Bend	trans	-65.1	-30.5	-176.5	-67	175.5	0	0	0	113	A151 N153 F254 T300	A151-L303 HydrophobicContact CB-CD1 3.96Å; N153-L303 HydrophobicContact CB-CD1 3.8Å; N153-L303 HydrophobicContact CB-CD2 3.78Å; N153-L303 HydrophobicContact CB-CG 4.46Å; N153-L303 VanDerWaalsContact OD1-CD1 3.3Å; N153-L303 WeakPolarHBondContact OD1-CD1 3.31Å; F254-L303 HydrophobicContact CE2-CB 4.25Å; T300-L303 HydrophobicContact CG2-CD1 4.22Å; T300-L303 WeakPolarHBondContact O-CB 3.25Å; T300-L303 VanDerWaalsContact O-CG 3.23Å; T300-L303 WeakPolarHBondContact O-CG 3.23Å; T300-L303 PolarHBondContact O-N 3.11Å; T300-L303 VanDerWaalsContact O-N 3.11Å
304	V	96.1	Very high	96.6	Very high	14 Å²	14	46.1 Å²	46.1	9%	0.085	24%	0.243	C	C	.	.			trans	-147.3	137.6	174.4	69.4	0	0	0	0	109	L188 Q191 W192 F254 S302 G306	L188-V304 HydrophobicContact CB-CG1 4.01Å; L188-V304 HydrophobicContact CD2-CG1 4.38Å; Q191-V304 HydrophobicContact CB-CG2 3.64Å; W192-V304 HydrophobicContact CB-CB 4.24Å; W192-V304 HydrophobicContact CB-CG2 4.34Å; F254-V304 HydrophobicContact CE2-CG1 3.82Å; F254-V304 HydrophobicContact CZ-CG1 3.55Å; S302-V304 VanDerWaalsContact C-N 3.25Å; S302-V304 PolarHBondContact O-N 3.36Å; V304-G306 PolarHBondContact O-N 3.04Å
305	D	96.9	Very high	96.6	Very high	47 Å²	47	44.9 Å²	44.9	25%	0.251	24%	0.24	S	C	.	.			trans	-88.8	98.1	166.7	-173.6	-10.6	0	0	0	107.7	R260 L307 E308	R260-D305 IonicContact CZ-OD1 2.7Å; R260-D305 IonicContact CZ-OD2 3.74Å; R260-D305 VanDerWaalsContact NH1-CG 3.29Å; R260-D305 IonicContact NH1-OD1 3.28Å; R260-D305 PolarHBondContact NH1-OD1 2.92Å; R260-D305 VanDerWaalsContact NH1-OD1 3.07Å; R260-D305 IonicContact NH1-OD2 3.87Å; R260-D305 PolarHBondContact NH1-OD2 2.83Å; R260-D305 IonicContact NH2-OD1 3.89Å; R260-D305 PolarHBondContact NH2-OD1 3.12Å; R260-D305 IonicContact NH2-OD2 3.4Å; D305-L307 PolarHBondContact O-N 2.79Å; D305-L307 WeakPolarHBondContact OD1-CB 3.43Å; D305-L307 PolarHBondContact OD1-N 2.92Å; D305-E308 HydrophobicContact CB-CB 3.98Å; D305-E308 WeakPolarHBondContact O-CB 3.35Å; D305-E308 PolarHBondContact O-N 3.1Å; D305-E308 VanDerWaalsContact O-N 3.16Å
306	G	97.1	Very high	96.7	Very high	5 Å²	5	42.5 Å²	42.5	5%	0.052	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.9	-179.9	0	0	0	0	0	113.8	F216 V304	F216-G306 WeakPolarHBondContact CB-O 3.48Å; F216-G306 WeakPolarHBondContact CD1-O 3.49Å; F216-G306 CarbonylContact O-C 3.54Å; F216-G306 VanDerWaalsContact O-CA 3.25Å; F216-G306 WeakPolarHBondContact O-CA 3.43Å; V304-G306 PolarHBondContact O-N 3.04Å
307	L	97.8	Very high	96.7	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.037	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.4	175.3	-53	-168.5	0	0	0	112	F216 R260 L261 D305 Y365 W369	F216-L307 HydrophobicContact CB-CD2 4.1Å; R260-L307 HydrophobicContact CB-CD1 3.81Å; L261-L307 HydrophobicContact CD1-CD2 3.95Å; L261-L307 HydrophobicContact CD2-CD1 4.2Å; L261-L307 HydrophobicContact CD2-CD2 4.48Å; L261-L307 HydrophobicContact CG-CD1 4.18Å; L261-L307 HydrophobicContact CG-CD2 4.24Å; D305-L307 PolarHBondContact O-N 2.79Å; D305-L307 WeakPolarHBondContact OD1-CB 3.43Å; D305-L307 PolarHBondContact OD1-N 2.92Å; L307-Y365 HydrophobicContact CB-CD1 4.09Å; L307-Y365 HydrophobicContact CB-CE1 3.49Å; L307-Y365 VanDerWaalsContact CB-CE1 3.49Å; L307-Y365 HydrophobicContact CD1-CE2 4.19Å; L307-Y365 HydrophobicContact CD2-CD1 3.66Å; L307-Y365 HydrophobicContact CD2-CD2 4.06Å; L307-Y365 HydrophobicContact CD2-CE1 3.89Å; L307-Y365 HydrophobicContact CD2-CE2 4.22Å; L307-Y365 HydrophobicContact CD2-CG 3.74Å; L307-Y365 HydrophobicContact CG-CD1 4.4Å; L307-Y365 HydrophobicContact CG-CE1 4.14Å; L307-Y365 VanDerWaalsContact O-CE1 3.27Å; L307-Y365 WeakPolarHBondContact O-CE1 3.46Å; L307-W369 PolarHBondContact O-NE1 2.89Å
308	E	97	Very high	96.8	Very high	84 Å²	84	40.5 Å²	40.5	39%	0.393	22%	0.222	S	C	.	.	S	Bend	trans	-81.9	125.7	177.8	-168.6	-175	172.1	0	0	110.7	Q191 K195 D305	Q191-E308 PolarHBondContact OE1-O 3.45Å; K195-E308 IonicContact NZ-OE2 3.65Å; K195-E308 PolarHBondContact NZ-OE2 2.68Å; D305-E308 HydrophobicContact CB-CB 3.98Å; D305-E308 WeakPolarHBondContact O-CB 3.35Å; D305-E308 PolarHBondContact O-N 3.1Å; D305-E308 VanDerWaalsContact O-N 3.16Å
309	M	96.6	Very high	96.9	Very high	56 Å²	56	36.8 Å²	36.8	28%	0.276	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-63.5	131.2	175.8	-172.5	-175.3	177.4	0	0	110.5	T311 I316 W369 P370	M309-T311 PolarHBondContact O-N 2.81Å; M309-I316 HydrophobicContact CE-CD1 3.72Å; M309-I316 HydrophobicContact CG-CD1 4.22Å; M309-W369 HydrophobicContact CB-CB 4.23Å; M309-W369 HydrophobicContact CB-CD2 3.78Å; M309-W369 HydrophobicContact CB-CE3 4.41Å; M309-W369 HydrophobicContact CB-CG 3.68Å; M309-W369 HydrophobicContact CG-CB 3.98Å; M309-W369 HydrophobicContact CG-CD2 3.92Å; M309-W369 HydrophobicContact CG-CE3 4.16Å; M309-W369 HydrophobicContact CG-CG 3.87Å; M309-W369 HydrophobicContact SD-CB 3.82Å; M309-W369 HydrophobicContact SD-CG 4.31Å; M309-P370 WeakPolarHBondContact CE-O 3.43Å; M309-P370 HydrophobicContact SD-CG 4Å
310	P	96.3	Very high	97	Very high	14 Å²	14	34.8 Å²	34.8	9%	0.091	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-59.9	120.1	175.4	-26.2	35.5	0	0	0	112.4	Q191 L209 F211 I316	Q191-P310 HydrophobicContact CG-CG 4.13Å; L209-P310 HydrophobicContact CD2-CB 4.18Å; L209-P310 HydrophobicContact CD2-CG 3.86Å; F211-P310 HydrophobicContact CE2-CG 4.24Å; F211-P310 HydrophobicContact CZ-CG 3.98Å; P310-I316 HydrophobicContact CB-CD1 4.28Å; P310-I316 HydrophobicContact CG-CD1 4.42Å
311	T	96	Very high	97.1	Very high	82 Å²	82	34.8 Å²	34.8	50%	0.503	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	149.4	178	60.2	0	0	0	0	112.1	K202 M309 I313	K202-T311 VanDerWaalsContact CE-O 3.24Å; K202-T311 WeakPolarHBondContact CE-O 3.13Å; K202-T311 PolarHBondContact NZ-O 3.27Å; M309-T311 PolarHBondContact O-N 2.81Å; T311-I313 VanDerWaalsContact C-N 3.33Å; T311-I313 PolarHBondContact O-N 3.14Å
312	G	96.3	Very high	97.3	Very high	18 Å²	18	30.8 Å²	30.8	19%	0.186	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	11.3	174.5	0	0	0	0	0	115.4
313	I	97.1	Very high	97.4	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.062	18%	0.178	C	C	.	.			trans	-112.8	123.1	171.9	-54	-63	0	0	0	108.3	L194 K202 I206 L209 T311 I316	L194-I313 HydrophobicContact CD1-CG1 4.45Å; L194-I313 HydrophobicContact CD2-CD1 4.35Å; K202-I313 HydrophobicContact CB-CD1 3.81Å; K202-I313 HydrophobicContact CD-CD1 4.03Å; K202-I313 HydrophobicContact CD-CG1 4.45Å; K202-I313 HydrophobicContact CG-CD1 4.09Å; I206-I313 HydrophobicContact CB-CD1 3.78Å; I206-I313 HydrophobicContact CG1-CD1 4.11Å; I206-I313 HydrophobicContact CG2-CD1 3.77Å; L209-I313 HydrophobicContact CB-CG2 4.09Å; T311-I313 VanDerWaalsContact C-N 3.33Å; T311-I313 PolarHBondContact O-N 3.14Å; I313-I316 HydrophobicContact CB-CD1 4.24Å; I313-I316 HydrophobicContact CB-CG1 4.15Å; I313-I316 HydrophobicContact CG2-CD1 4.4Å; I313-I316 HydrophobicContact CG2-CG1 3.79Å
314	D	95.5	Very high	97.5	Very high	133 Å²	133	33.2 Å²	33.2	71%	0.711	18%	0.179	S	C	*	.	S	Bend	trans	-83.9	-21.2	-175.4	-66.7	-33.6	0	0	0	113.6	K203	K203-D314 IonicContact NZ-OD1 2.57Å; K203-D314 PolarHBondContact NZ-OD1 3.28Å; K203-D314 IonicContact NZ-OD2 2.68Å; K203-D314 PolarHBondContact NZ-OD2 3.38Å
315	D	97.9	Very high	97.6	Very high	22 Å²	22	37 Å²	37	12%	0.118	21%	0.206	C	C	.	.			trans	-130.3	103.4	-173.3	-171.2	19.7	0	0	0	111	S208 L209 H317 K373	S208-D315 CarbonylContact C-O 3.54Å; S208-D315 VanDerWaalsContact CA-O 3.27Å; S208-D315 WeakPolarHBondContact CA-O 3.41Å; S208-D315 WeakPolarHBondContact CB-OD2 3.4Å; S208-D315 PolarHBondContact OG-OD2 3.33Å; L209-D315 PolarHBondContact N-O 2.94Å; D315-H317 IonicContact OD1-CD2 2.81Å; D315-H317 PolarHBondContact OD1-CD2 3.17Å; D315-H317 IonicContact OD1-NE2 2.79Å; D315-H317 PolarHBondContact OD1-NE2 3.17Å; D315-H317 IonicContact OD2-CD2 3.55Å; D315-H317 IonicContact OD2-NE2 3.36Å; D315-H317 PolarHBondContact OD2-NE2 3.3Å; D315-K373 IonicContact OD1-NZ 2.72Å; D315-K373 PolarHBondContact OD1-NZ 2.7Å; D315-K373 IonicContact OD2-NZ 3.69Å
316	I	98.7	Very high	97.7	Very high	6 Å²	6	35 Å²	35	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.7	180	-48.9	-175.5	0	0	0	109	L209 F211 M309 P310 I313 I372 K373	L209-I316 WeakPolarHBondContact O-CA 3.29Å; F211-I316 HydrophobicContact CD2-CG2 3.94Å; F211-I316 HydrophobicContact CE2-CG2 3.83Å; M309-I316 HydrophobicContact CE-CD1 3.72Å; M309-I316 HydrophobicContact CG-CD1 4.22Å; P310-I316 HydrophobicContact CB-CD1 4.28Å; P310-I316 HydrophobicContact CG-CD1 4.42Å; I313-I316 HydrophobicContact CB-CD1 4.24Å; I313-I316 HydrophobicContact CB-CG1 4.15Å; I313-I316 HydrophobicContact CG2-CD1 4.4Å; I313-I316 HydrophobicContact CG2-CG1 3.79Å; I316-I372 HydrophobicContact CB-CD1 3.68Å; I316-I372 HydrophobicContact CG2-CD1 3.37Å; I316-I372 WeakPolarHBondContact O-CD1 3.43Å; I316-K373 PolarHBondContact O-N 2.78Å
317	H	98.8	Very high	97.7	Very high	7 Å²	7	35.5 Å²	35.5	3%	0.032	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.8	175.5	-66.3	-111	0	0	0	109.6	L209 V210 F211 D315 K373 Y375 I398	L209-H317 PolarHBondContact O-N 3.34Å; V210-H317 HydrophobicContact CB-CB 4.33Å; V210-H317 HydrophobicContact CG1-CB 3.96Å; V210-H317 HydrophobicContact CG2-CB 4.18Å; F211-H317 PolarHBondContact N-O 3.06Å; D315-H317 IonicContact OD1-CD2 2.81Å; D315-H317 PolarHBondContact OD1-CD2 3.17Å; D315-H317 IonicContact OD1-NE2 2.79Å; D315-H317 PolarHBondContact OD1-NE2 3.17Å; D315-H317 IonicContact OD2-CD2 3.55Å; D315-H317 IonicContact OD2-NE2 3.36Å; D315-H317 PolarHBondContact OD2-NE2 3.3Å; H317-K373 CarbonylContact C-O 3.44Å; H317-K373 WeakPolarHBondContact CA-O 3.46Å; H317-K373 WeakPolarHBondContact CE1-CD 3.46Å; H317-K373 WeakPolarHBondContact NE2-CD 3.36Å; H317-Y375 HydrophobicContact CB-CE2 4.23Å; H317-Y375 AromaticContact ND1-CE2 3.31Å; H317-Y375 VanDerWaalsContact ND1-CE2 3.31Å; H317-Y375 WeakPolarHBondContact ND1-CE2 3.5Å; H317-Y375 AromaticContact ND1-CZ 3.71Å; H317-Y375 PolarHBondContact ND1-OH 2.98Å; H317-I398 HydrophobicContact CB-CD1 4.15Å; H317-I398 VanDerWaalsContact CE1-CG1 3.45Å; H317-I398 WeakPolarHBondContact CE1-CG1 3.18Å; H317-I398 VanDerWaalsContact ND1-CD1 3.33Å; H317-I398 WeakPolarHBondContact ND1-CD1 3.46Å
318	C	98.7	Very high	97.6	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.5	177.1	-174.9	0	0	0	0	109	C366 I372 K373 H374 Y375	C318-C366 HydrophobicContact CB-CB 3.72Å; C318-C366 WeakPolarHBondContact CB-SG 3.44Å; C318-C366 WeakPolarHBondContact SG-CB 3.45Å; C318-C366 CovalentContact SG-SG 2.04Å; C318-C366 PolarHBondContact SG-SG 2.82Å; C318-I372 HydrophobicContact CB-CD1 4.12Å; C318-I372 HydrophobicContact CB-CG1 3.97Å; C318-K373 PolarHBondContact N-O 3.47Å; C318-H374 CarbonylContact O-C 3.56Å; C318-H374 WeakPolarHBondContact O-CA 3.4Å; C318-Y375 PolarHBondContact O-N 2.9Å
319	I	98.9	Very high	97.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.6	-175.7	-46.6	172.2	0	0	0	108.6	V210 F211 S212 S213 Y375 L377 I385 I394 I395	V210-I319 HydrophobicContact CG1-CD1 3.61Å; V210-I319 HydrophobicContact CG1-CG1 4.3Å; F211-I319 PolarHBondContact O-N 2.88Å; S212-I319 CarbonylContact C-O 3.54Å; S212-I319 WeakPolarHBondContact CA-O 3.45Å; S213-I319 PolarHBondContact N-O 3.33Å; I319-Y375 WeakPolarHBondContact CA-O 3.41Å; I319-Y375 HydrophobicContact CG1-CD2 3.81Å; I319-Y375 HydrophobicContact CG1-CG 4.27Å; I319-L377 HydrophobicContact CG2-CD1 3.76Å; I319-L377 HydrophobicContact CG2-CG 4.09Å; I319-I385 HydrophobicContact CG2-CD1 4.25Å; I319-I394 HydrophobicContact CD1-CB 4.31Å; I319-I394 HydrophobicContact CD1-CG2 3.6Å; I319-I394 HydrophobicContact CG1-CG2 4.42Å; I319-I395 HydrophobicContact CD1-CD1 3.83Å
320	H	98.8	Very high	97.7	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	163.1	176.8	66.3	83.4	0	0	0	113.3	L363 H374 Y375 L377	H320-L363 HydrophobicContact CB-CB 4.02Å; H320-L363 HydrophobicContact CB-CD1 4.24Å; H320-L363 HydrophobicContact CB-CD2 3.9Å; H320-L363 HydrophobicContact CB-CG 4.28Å; H320-H374 AromaticContact CD2-NE2 3.41Å; H320-H374 PolarHBondContact CD2-NE2 2.85Å; H320-H374 AromaticContact CE1-NE2 3.92Å; H320-H374 AromaticContact NE2-CD2 3.85Å; H320-H374 AromaticContact NE2-CE1 3.65Å; H320-H374 AromaticContact NE2-NE2 2.81Å; H320-H374 PolarHBondContact NE2-NE2 3.28Å; H320-Y375 PolarHBondContact N-O 3.25Å; H320-Y375 VanDerWaalsContact N-O 3.08Å; H320-L377 PolarHBondContact O-N 2.7Å
321	G	98.7	Very high	97.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	163.1	170.8	0	0	0	0	0	113.6	L377 A380	G321-L377 WeakPolarHBondContact CA-O 3.39Å; G321-A380 VanDerWaalsContact CA-O 3.29Å; G321-A380 WeakPolarHBondContact CA-O 3.48Å
322	S	98.7	Very high	97.9	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	174.5	169.2	68.8	0	0	0	0	110.7	L324 G354 V376 G379	S322-L324 VanDerWaalsContact C-N 3.26Å; S322-L324 PolarHBondContact O-N 2.8Å; S322-G354 CarbonylContact C-O 3.46Å; S322-G354 VanDerWaalsContact CA-O 3.28Å; S322-G354 WeakPolarHBondContact CA-O 3.46Å; S322-V376 WeakPolarHBondContact OG-CG1 3.23Å; S322-G379 PolarHBondContact O-N 2.98Å
323	H	98.3	Very high	97.8	Very high	136 Å²	136	32.9 Å²	32.9	63%	0.63	18%	0.179	S	C	*	.	S	Bend	trans	60.9	30.8	178.6	-53.3	-59.1	0	0	0	114.2	D353	H323-D353 WeakPolarHBondContact CA-OD1 3.4Å; H323-D353 PolarHBondContact N-OD1 3.22Å
324	L	98.3	Very high	97.7	Very high	47 Å²	47	34.9 Å²	34.9	25%	0.246	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-115.7	136.3	171.2	-65.3	174.1	0	0	0	110.2	S322 T326 G354 E381	S322-L324 VanDerWaalsContact C-N 3.26Å; S322-L324 PolarHBondContact O-N 2.8Å; L324-T326 PolarHBondContact O-N 2.8Å; L324-T326 PolarHBondContact O-OG1 2.84Å; L324-G354 WeakPolarHBondContact CB-O 3.37Å; L324-G354 PolarHBondContact N-O 3.23Å; L324-G354 VanDerWaalsContact N-O 3.14Å; L324-G354 PolarHBondContact O-N 3.04Å; L324-E381 HydrophobicContact CD1-CB 3.75Å; L324-E381 HydrophobicContact CD1-CG 4.35Å
325	S	97.8	Very high	97.7	Very high	94 Å²	94	33 Å²	33	66%	0.657	19%	0.193	S	C	*	.			trans	-55.1	111.7	174.6	-179.6	0	0	0	0	110	P351	S325-P351 WeakPolarHBondContact OG-CB 3.29Å
326	T	97.9	Very high	97.4	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139	-174.1	-55	0	0	0	0	109.7	L324 E328 P351 G352 G354 D355 G356	L324-T326 PolarHBondContact O-N 2.8Å; L324-T326 PolarHBondContact O-OG1 2.84Å; T326-E328 PolarHBondContact O-N 3.29Å; T326-P351 CarbonylContact O-C 3.59Å; T326-P351 WeakPolarHBondContact O-CA 3.42Å; T326-G352 PolarHBondContact N-O 2.66Å; T326-G352 PolarHBondContact O-N 3.22Å; T326-G354 VanDerWaalsContact OG1-C 3.23Å; T326-G354 WeakPolarHBondContact OG1-CA 3.26Å; T326-G354 PolarHBondContact OG1-N 3.12Å; T326-D355 PolarHBondContact OG1-N 3.1Å; T326-G356 WeakPolarHBondContact OG1-CA 3.47Å; T326-G356 PolarHBondContact OG1-N 3.11Å
327	T	96.9	Very high	97.1	Very high	17 Å²	17	43.1 Å²	43.1	10%	0.104	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	113.7	-178.4	-55.5	0	0	0	0	110.9	V220 I330 L349	V220-T327 HydrophobicContact CG1-CG2 4.21Å; T327-I330 HydrophobicContact CG2-CG1 3.92Å; T327-L349 HydrophobicContact CG2-CB 4.35Å; T327-L349 HydrophobicContact CG2-CD2 4Å
328	E	97.1	Very high	96.5	Very high	69 Å²	69	51.2 Å²	51.2	32%	0.322	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-38.6	174.9	-174.7	173.3	-161.9	0	0	111.1	T326 I350 G352	T326-E328 PolarHBondContact O-N 3.29Å; E328-I350 PolarHBondContact N-O 2.89Å; E328-G352 WeakPolarHBondContact OE2-CA 3.44Å
329	K	97.9	Very high	95.9	Very high	57 Å²	57	56 Å²	56	25%	0.248	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.9	173.5	-56.3	177.5	-178.8	171.5	0	111.3	L268 I270 I350	L268-K329 WeakPolarHBondContact O-CA 3.45Å; I270-K329 HydrophobicContact CD1-CD 4.37Å; K329-I350 HydrophobicContact CB-CB 4.03Å; K329-I350 HydrophobicContact CB-CD1 4.1Å; K329-I350 HydrophobicContact CB-CG1 4.46Å; K329-I350 PolarHBondContact N-O 3.41Å; K329-I350 PolarHBondContact O-N 3.27Å
330	I	97.8	Very high	95.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.3	-178.6	-54.1	155.2	0	0	0	107.8	V220 V223 K224 L268 I269 I270 T327 Y332 P347 L349	V220-I330 HydrophobicContact CG1-CD1 3.91Å; V220-I330 HydrophobicContact CG1-CG1 4.14Å; V223-I330 HydrophobicContact CB-CD1 4.32Å; K224-I330 HydrophobicContact CB-CD1 3.57Å; K224-I330 HydrophobicContact CB-CG1 4.14Å; L268-I330 PolarHBondContact O-N 2.57Å; I269-I330 CarbonylContact C-O 3.49Å; I269-I330 VanDerWaalsContact CA-O 3.31Å; I269-I330 WeakPolarHBondContact CA-O 3.35Å; I269-I330 HydrophobicContact CG1-CB 4.36Å; I269-I330 HydrophobicContact CG1-CD1 4.05Å; I270-I330 PolarHBondContact N-O 3.43Å; T327-I330 HydrophobicContact CG2-CG1 3.92Å; I330-Y332 HydrophobicContact CG2-CD2 4.15Å; I330-Y332 HydrophobicContact CG2-CE2 3.49Å; I330-Y332 VanDerWaalsContact CG2-CE2 3.49Å; I330-P347 HydrophobicContact CG2-CB 3.44Å; I330-P347 VanDerWaalsContact CG2-CB 3.44Å; I330-P347 HydrophobicContact CG2-CG 3.5Å; I330-P347 VanDerWaalsContact CG2-CG 3.5Å; I330-L349 HydrophobicContact CG1-CD2 4.44Å; I330-L349 HydrophobicContact CG2-CD2 4.46Å
331	A	97.7	Very high	95.3	Very high	16 Å²	16	60 Å²	60	13%	0.132	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.4	179.6	0	0	0	0	0	111.3	I270 P347 L348 I350	I270-A331 HydrophobicContact CB-CB 4.47Å; I270-A331 CarbonylContact O-C 3.59Å; I270-A331 WeakPolarHBondContact O-CA 3.31Å; A331-P347 WeakPolarHBondContact O-CA 3.38Å; A331-P347 WeakPolarHBondContact O-CB 3.48Å; A331-L348 HydrophobicContact CB-CB 4.29Å; A331-L348 PolarHBondContact N-O 2.92Å; A331-L348 PolarHBondContact O-N 3.09Å; A331-I350 HydrophobicContact CB-CD1 4.15Å
332	Y	97.4	Very high	95.2	Very high	11 Å²	11	62.1 Å²	62.1	4%	0.043	34%	0.336	C	S	.	.			trans	-107.2	140.1	174.6	-71.6	-96.1	0	0	0	110.3	A227 S228 I269 I270 T271 P272 I330 F342 Q345 P347	A227-Y332 WeakPolarHBondContact CB-OH 3.27Å; S228-Y332 WeakPolarHBondContact CB-OH 3.36Å; S228-Y332 PolarHBondContact OG-OH 2.75Å; I269-Y332 HydrophobicContact CG2-CD2 3.87Å; I269-Y332 HydrophobicContact CG2-CE2 3.89Å; I270-Y332 PolarHBondContact O-N 2.97Å; T271-Y332 HydrophobicContact CG2-CD2 4.31Å; P272-Y332 WeakPolarHBondContact CD-O 3.17Å; I330-Y332 HydrophobicContact CG2-CD2 4.15Å; I330-Y332 HydrophobicContact CG2-CE2 3.49Å; I330-Y332 VanDerWaalsContact CG2-CE2 3.49Å; Y332-F342 HydrophobicContact CD1-CB 3.98Å; Y332-F342 AromaticContact CD1-CD2 3.83Å; Y332-F342 HydrophobicContact CD1-CD2 3.83Å; Y332-F342 HydrophobicContact CD1-CG 4.43Å; Y332-F342 AromaticContact CD2-CD2 3.5Å; Y332-F342 HydrophobicContact CD2-CD2 3.5Å; Y332-F342 HydrophobicContact CD2-CE2 4.13Å; Y332-F342 HydrophobicContact CD2-CG 4.45Å; Y332-F342 AromaticContact CE1-CD2 3.82Å; Y332-F342 HydrophobicContact CE1-CD2 3.82Å; Y332-F342 AromaticContact CE2-CD2 3.48Å; Y332-F342 HydrophobicContact CE2-CD2 3.48Å; Y332-F342 VanDerWaalsContact CE2-CD2 3.48Å; Y332-F342 AromaticContact CE2-CE2 3.77Å; Y332-F342 HydrophobicContact CE2-CE2 3.77Å; Y332-F342 HydrophobicContact CG-CB 3.95Å; Y332-F342 AromaticContact CG-CD2 3.68Å; Y332-F342 HydrophobicContact CG-CD2 3.68Å; Y332-F342 HydrophobicContact CG-CG 4.29Å; Y332-F342 AromaticContact CZ-CD2 3.65Å; Y332-Q345 HydrophobicContact CD1-CB 4.04Å; Y332-Q345 HydrophobicContact CE1-CB 4.28Å; Y332-Q345 WeakPolarHBondContact CE1-O 3.43Å; Y332-P347 HydrophobicContact CD1-CB 4.05Å; Y332-P347 HydrophobicContact CD2-CB 4.08Å; Y332-P347 HydrophobicContact CE1-CB 3.76Å; Y332-P347 HydrophobicContact CE1-CG 4.16Å; Y332-P347 HydrophobicContact CE2-CB 3.79Å; Y332-P347 HydrophobicContact CE2-CG 4.27Å; Y332-P347 HydrophobicContact CG-CB 4.2Å
333	S	95.2	Very high	95	Very high	52 Å²	52	62.7 Å²	62.7	36%	0.364	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-86.4	163.9	176.6	-58.2	0	0	0	0	110.7	Q345	S333-Q345 PolarHBondContact O-OE1 3.27Å
334	A	95.2	Very high	94.9	Very high	54 Å²	54	59.9 Å²	59.9	45%	0.446	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-62.2	142.2	167.2	0	0	0	0	0	110.1	P272 Y339	P272-A334 HydrophobicContact CB-CB 4.48Å; P272-A334 HydrophobicContact CG-CB 3.99Å; A334-Y339 WeakPolarHBondContact O-CE2 3.26Å
335	P	94.4	Very high	94.7	Very high	93 Å²	93	58.7 Å²	58.7	60%	0.604	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-55.4	145	175.1	24.8	-33.8	0	0	0	110.2
336	S	92.1	Very high	94.4	Very high	46 Å²	46	58 Å²	58	32%	0.322	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-130.5	178.3	173.6	80.3	0	0	0	0	110.2	F338 Y339	S336-F338 PolarHBondContact O-N 3.25Å; S336-F338 VanDerWaalsContact O-N 3.16Å; S336-F338 PolarHBondContact OG-N 3.41Å; S336-F338 VanDerWaalsContact OG-N 3.12Å; S336-Y339 PolarHBondContact N-O 2.88Å; S336-Y339 PolarHBondContact O-N 3.42Å; S336-Y339 WeakPolarHBondContact OG-CD1 3.21Å; S336-Y339 WeakPolarHBondContact OG-CE1 3.28Å; S336-Y339 PolarHBondContact OG-N 2.81Å
337	F	91.3	Very high	94.3	Very high	196 Å²	196	58.3 Å²	58.3	86%	0.86	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.3	172.4	-173.7	-99.6	0	0	0	113.2
338	F	87.4	Confident	94.2	Very high	177 Å²	177	62.9 Å²	62.9	78%	0.776	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-16.3	-174.2	-59.6	-70.7	0	0	0	114.7	S336	S336-F338 PolarHBondContact O-N 3.25Å; S336-F338 VanDerWaalsContact O-N 3.16Å; S336-F338 PolarHBondContact OG-N 3.41Å; S336-F338 VanDerWaalsContact OG-N 3.12Å
339	Y	85.4	Confident	94.2	Very high	103 Å²	103	62.6 Å²	62.6	40%	0.404	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-151.9	141.6	-177.2	52.6	-93.4	0	0	0	111.8	A334 S336	A334-Y339 WeakPolarHBondContact O-CE2 3.26Å; S336-Y339 PolarHBondContact N-O 2.88Å; S336-Y339 PolarHBondContact O-N 3.42Å; S336-Y339 WeakPolarHBondContact OG-CD1 3.21Å; S336-Y339 WeakPolarHBondContact OG-CE1 3.28Å; S336-Y339 PolarHBondContact OG-N 2.81Å
340	S	92	Very high	94.2	Very high	71 Å²	71	62.8 Å²	62.8	50%	0.497	34%	0.343	S	S	.	.			trans	-62.6	161.8	172.1	-57.1	0	0	0	0	111.4	D344 Q345	S340-D344 WeakPolarHBondContact CB-O 3.43Å; S340-Q345 WeakPolarHBondContact O-CB 3.28Å
341	G	93	Very high	94.1	Very high	16 Å²	16	66.5 Å²	66.5	17%	0.165	37%	0.367	C	S	.	.			trans	-87.1	-172.9	173.5	0	0	0	0	0	112.3	D344	G341-D344 PolarHBondContact O-N 3.41Å
342	F	96.3	Very high	94.1	Very high	44 Å²	44	66.7 Å²	66.7	19%	0.193	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	135	171.4	176.3	-101.3	0	0	0	111.8	A227 I269 T271 Y276 F284 D287 I288 Y332	A227-F342 HydrophobicContact CB-CE2 4.13Å; I269-F342 HydrophobicContact CG2-CE2 4.14Å; T271-F342 HydrophobicContact CG2-CB 4.04Å; T271-F342 HydrophobicContact CG2-CD1 4.12Å; T271-F342 HydrophobicContact CG2-CD2 3.89Å; T271-F342 HydrophobicContact CG2-CE2 4.34Å; T271-F342 HydrophobicContact CG2-CG 3.75Å; Y276-F342 HydrophobicContact CE2-CE1 4.04Å; Y276-F342 HydrophobicContact CE2-CZ 4.03Å; F284-F342 HydrophobicContact CD2-CZ 4.01Å; F284-F342 HydrophobicContact CE2-CE2 4.23Å; F284-F342 AromaticContact CE2-CZ 3.85Å; F284-F342 HydrophobicContact CE2-CZ 3.85Å; D287-F342 HydrophobicContact CB-CE1 4.49Å; I288-F342 HydrophobicContact CG2-CE1 3.69Å; I288-F342 HydrophobicContact CG2-CE2 4.09Å; I288-F342 HydrophobicContact CG2-CZ 3.3Å; Y332-F342 HydrophobicContact CD1-CB 3.98Å; Y332-F342 AromaticContact CD1-CD2 3.83Å; Y332-F342 HydrophobicContact CD1-CD2 3.83Å; Y332-F342 HydrophobicContact CD1-CG 4.43Å; Y332-F342 AromaticContact CD2-CD2 3.5Å; Y332-F342 HydrophobicContact CD2-CD2 3.5Å; Y332-F342 HydrophobicContact CD2-CE2 4.13Å; Y332-F342 HydrophobicContact CD2-CG 4.45Å; Y332-F342 AromaticContact CE1-CD2 3.82Å; Y332-F342 HydrophobicContact CE1-CD2 3.82Å; Y332-F342 AromaticContact CE2-CD2 3.48Å; Y332-F342 HydrophobicContact CE2-CD2 3.48Å; Y332-F342 VanDerWaalsContact CE2-CD2 3.48Å; Y332-F342 AromaticContact CE2-CE2 3.77Å; Y332-F342 HydrophobicContact CE2-CE2 3.77Å; Y332-F342 HydrophobicContact CG-CB 3.95Å; Y332-F342 AromaticContact CG-CD2 3.68Å; Y332-F342 HydrophobicContact CG-CD2 3.68Å; Y332-F342 HydrophobicContact CG-CG 4.29Å; Y332-F342 AromaticContact CZ-CD2 3.65Å
343	P	96.2	Very high	94.2	Very high	14 Å²	14	68.9 Å²	68.9	9%	0.091	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.3	6.7	-1.6	40	-38.1	0	0	0	114.5	A227 R243 I288 Q345	A227-P343 HydrophobicContact CB-CB 4.4Å; R243-P343 PolarHBondContact NH1-O 2.84Å; I288-P343 HydrophobicContact CB-CB 4.2Å; I288-P343 HydrophobicContact CB-CG 3.97Å; I288-P343 HydrophobicContact CG2-CB 3.73Å; I288-P343 HydrophobicContact CG2-CG 3.99Å; P343-Q345 PolarHBondContact O-N 3.3Å; P343-Q345 VanDerWaalsContact O-N 3.14Å
344	D	96.1	Very high	94.3	Very high	77 Å²	77	66.4 Å²	66.4	41%	0.412	37%	0.365	S	S	.	.	S	Bend	trans	-89	34.5	-170.6	-63.9	-37.9	0	0	0	113.6	R243 S340 G341	R243-D344 IonicContact CZ-OD1 3.61Å; R243-D344 IonicContact NH1-OD1 2.75Å; R243-D344 PolarHBondContact NH1-OD1 3.39Å; R243-D344 IonicContact NH2-OD1 3.28Å; R243-D344 PolarHBondContact NH2-OD1 3.37Å; S340-D344 WeakPolarHBondContact CB-O 3.43Å; G341-D344 PolarHBondContact O-N 3.41Å
345	Q	93.2	Very high	94.5	Very high	23 Å²	23	63.9 Å²	63.9	11%	0.107	34%	0.344	C	S	.	.	S	Bend	trans	-128.8	149.7	-178.5	-179.1	-174.6	-3.9	0	0	109.4	S228 Y332 S333 S340 P343 P347	S228-Q345 VanDerWaalsContact CB-O 3.3Å; S228-Q345 WeakPolarHBondContact CB-O 3.49Å; Y332-Q345 HydrophobicContact CD1-CB 4.04Å; Y332-Q345 HydrophobicContact CE1-CB 4.28Å; Y332-Q345 WeakPolarHBondContact CE1-O 3.43Å; S333-Q345 PolarHBondContact O-OE1 3.27Å; S340-Q345 WeakPolarHBondContact O-CB 3.28Å; P343-Q345 PolarHBondContact O-N 3.3Å; P343-Q345 VanDerWaalsContact O-N 3.14Å; Q345-P347 VanDerWaalsContact O-CD 3.25Å; Q345-P347 WeakPolarHBondContact O-CD 3.38Å
346	V	92.6	Very high	94.6	Very high	79 Å²	79	60.6 Å²	60.6	48%	0.479	33%	0.327	S	S	.	.			trans	-75.3	111.4	162.6	-179.6	0	0	0	0	108.1	P239	P239-V346 HydrophobicContact CG-CG2 4.41Å
347	P	95.2	Very high	94.8	Very high	10 Å²	10	59.9 Å²	59.9	7%	0.065	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-74.5	163	-173.9	30.6	-35.3	0	0	0	112.4	K224 S228 I330 A331 Y332 Q345 L349	K224-P347 HydrophobicContact CG-CG 4.22Å; S228-P347 WeakPolarHBondContact OG-CD 3.39Å; I330-P347 HydrophobicContact CG2-CB 3.44Å; I330-P347 VanDerWaalsContact CG2-CB 3.44Å; I330-P347 HydrophobicContact CG2-CG 3.5Å; I330-P347 VanDerWaalsContact CG2-CG 3.5Å; A331-P347 WeakPolarHBondContact O-CA 3.38Å; A331-P347 WeakPolarHBondContact O-CB 3.48Å; Y332-P347 HydrophobicContact CD1-CB 4.05Å; Y332-P347 HydrophobicContact CD2-CB 4.08Å; Y332-P347 HydrophobicContact CE1-CB 3.76Å; Y332-P347 HydrophobicContact CE1-CG 4.16Å; Y332-P347 HydrophobicContact CE2-CB 3.79Å; Y332-P347 HydrophobicContact CE2-CG 4.27Å; Y332-P347 HydrophobicContact CG-CB 4.2Å; Q345-P347 VanDerWaalsContact O-CD 3.25Å; Q345-P347 WeakPolarHBondContact O-CD 3.38Å; P347-L349 HydrophobicContact CG-CD2 4.1Å
348	L	95.4	Very high	95.2	Very high	113 Å²	113	50.7 Å²	50.7	59%	0.592	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.3	161.7	177.6	66.2	0	0	0	108.9	A331	A331-L348 HydrophobicContact CB-CB 4.29Å; A331-L348 PolarHBondContact N-O 2.92Å; A331-L348 PolarHBondContact O-N 3.09Å
349	L	95.8	Very high	95.7	Very high	63 Å²	63	42.9 Å²	42.9	33%	0.33	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.3	174.4	-53.2	-179.2	0	0	0	108.4	K224 T327 I330 P347 P351	K224-L349 HydrophobicContact CD-CD1 4.48Å; K224-L349 HydrophobicContact CD-CD2 3.93Å; K224-L349 HydrophobicContact CG-CD2 4.21Å; T327-L349 HydrophobicContact CG2-CB 4.35Å; T327-L349 HydrophobicContact CG2-CD2 4Å; I330-L349 HydrophobicContact CG1-CD2 4.44Å; I330-L349 HydrophobicContact CG2-CD2 4.46Å; P347-L349 HydrophobicContact CG-CD2 4.1Å; L349-P351 WeakPolarHBondContact O-CD 3.48Å
350	I	97.6	Very high	96.3	Very high	61 Å²	61	39.5 Å²	39.5	31%	0.313	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	118.1	175.1	-58.8	175.8	0	0	0	106.9	I270 E328 K329 A331	I270-I350 HydrophobicContact CD1-CD1 4.43Å; E328-I350 PolarHBondContact N-O 2.89Å; K329-I350 HydrophobicContact CB-CB 4.03Å; K329-I350 HydrophobicContact CB-CD1 4.1Å; K329-I350 HydrophobicContact CB-CG1 4.46Å; K329-I350 PolarHBondContact N-O 3.41Å; K329-I350 PolarHBondContact O-N 3.27Å; A331-I350 HydrophobicContact CB-CD1 4.15Å
351	P	97.3	Very high	96.6	Very high	78 Å²	78	40.9 Å²	40.9	51%	0.506	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	143.4	-173.2	34.3	-35.4	0	0	0	111.7	S325 T326 L349	S325-P351 WeakPolarHBondContact OG-CB 3.29Å; T326-P351 CarbonylContact O-C 3.59Å; T326-P351 WeakPolarHBondContact O-CA 3.42Å; L349-P351 WeakPolarHBondContact O-CD 3.48Å
352	G	97.7	Very high	96.8	Very high	19 Å²	19	40.1 Å²	40.1	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	-166.7	160.2	0	0	0	0	0	110	T326 E328	T326-G352 PolarHBondContact N-O 2.66Å; T326-G352 PolarHBondContact O-N 3.22Å; E328-G352 WeakPolarHBondContact OE2-CA 3.44Å
353	D	98.5	Very high	96.9	Very high	58 Å²	58	38 Å²	38	31%	0.31	22%	0.216	S	C	.	.	S	Bend	trans	-84.5	153.5	177.9	-168	23.2	0	0	0	112.3	H323 I360	H323-D353 WeakPolarHBondContact CA-OD1 3.4Å; H323-D353 PolarHBondContact N-OD1 3.22Å; D353-I360 HydrophobicContact CB-CB 4.13Å; D353-I360 HydrophobicContact CB-CG2 4.01Å; D353-I360 WeakPolarHBondContact O-CB 3.31Å; D353-I360 PolarHBondContact O-N 3.22Å
354	G	98.6	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	161	-153.5	179.6	0	0	0	0	0	112	S322 L324 T326 V358	S322-G354 CarbonylContact C-O 3.46Å; S322-G354 VanDerWaalsContact CA-O 3.28Å; S322-G354 WeakPolarHBondContact CA-O 3.46Å; L324-G354 WeakPolarHBondContact CB-O 3.37Å; L324-G354 PolarHBondContact N-O 3.23Å; L324-G354 VanDerWaalsContact N-O 3.14Å; L324-G354 PolarHBondContact O-N 3.04Å; T326-G354 VanDerWaalsContact OG1-C 3.23Å; T326-G354 WeakPolarHBondContact OG1-CA 3.26Å; T326-G354 PolarHBondContact OG1-N 3.12Å; G354-V358 WeakPolarHBondContact CA-O 3.31Å
355	D	98.3	Very high	97.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-107.2	13.7	-179.7	68.1	8.7	0	0	0	113.9	S213 T326 T357 V358 L363 E381 H382	S213-D355 WeakPolarHBondContact CB-OD2 3.26Å; S213-D355 PolarHBondContact OG-OD2 3.09Å; T326-D355 PolarHBondContact OG1-N 3.1Å; D355-T357 PolarHBondContact OD1-N 3.14Å; D355-V358 PolarHBondContact N-O 2.99Å; D355-V358 PolarHBondContact OD1-N 3.18Å; D355-L363 HydrophobicContact CB-CD1 3.83Å; D355-E381 CarbonylContact O-C 3.33Å; D355-E381 WeakPolarHBondContact O-CA 3.35Å; D355-H382 HydrophobicContact CB-CB 4.34Å; D355-H382 VanDerWaalsContact CG-ND1 3.33Å; D355-H382 PolarHBondContact O-N 3.37Å; D355-H382 WeakPolarHBondContact OD1-CB 3.36Å; D355-H382 IonicContact OD1-CG 3.19Å; D355-H382 IonicContact OD1-ND1 2.66Å; D355-H382 PolarHBondContact OD1-ND1 3.47Å; D355-H382 IonicContact OD2-CE1 2.69Å; D355-H382 IonicContact OD2-CG 3.52Å; D355-H382 IonicContact OD2-ND1 3.79Å; D355-H382 PolarHBondContact OD2-ND1 3Å
356	G	96.8	Very high	97.3	Very high	25 Å²	25	37.8 Å²	37.8	26%	0.258	21%	0.209	S	C	.	.	S	Bend	trans	91.5	-13	-175.7	0	0	0	0	0	114.3	T326	T326-G356 WeakPolarHBondContact OG1-CA 3.47Å; T326-G356 PolarHBondContact OG1-N 3.11Å
357	T	97	Very high	97.6	Very high	30 Å²	30	38.7 Å²	38.7	18%	0.184	21%	0.207	C	C	.	.	S	Bend	trans	-128.6	-44.7	175.9	-67.9	0	0	0	0	112.6	S219 K221 D355	S219-T357 PolarHBondContact OG-O 3.38Å; K221-T357 HydrophobicContact CD-CG2 4.23Å; D355-T357 PolarHBondContact OD1-N 3.14Å
358	V	98.4	Very high	97.7	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	23%	0.23	C	C	.	.	S	Bend	trans	-110.1	125.9	-178	-174.3	0	0	0	0	109	P215 G354 D355 L363 H382	P215-V358 HydrophobicContact CB-CG1 3.88Å; P215-V358 HydrophobicContact CB-CG2 3.92Å; G354-V358 WeakPolarHBondContact CA-O 3.31Å; D355-V358 PolarHBondContact N-O 2.99Å; D355-V358 PolarHBondContact OD1-N 3.18Å; V358-L363 HydrophobicContact CB-CD1 4.24Å; V358-L363 HydrophobicContact CB-CD2 3.77Å; V358-L363 HydrophobicContact CB-CG 3.81Å; V358-L363 HydrophobicContact CG1-CD2 3.76Å; V358-L363 HydrophobicContact CG1-CG 3.66Å; V358-L363 HydrophobicContact CG2-CD2 4.46Å; V358-L363 VanDerWaalsContact O-CD1 3.23Å; V358-L363 WeakPolarHBondContact O-CD1 3.32Å; V358-H382 VanDerWaalsContact CG2-CE1 3.42Å; V358-H382 WeakPolarHBondContact CG2-CE1 3.5Å
359	G	98.3	Very high	97.8	Very high	13 Å²	13	38.5 Å²	38.5	13%	0.134	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-65	147.3	179.2	0	0	0	0	0	111.8	R361 S362 L363	G359-R361 PolarHBondContact O-N 2.94Å; G359-R361 VanDerWaalsContact O-N 3.12Å; G359-S362 PolarHBondContact O-N 3.42Å; G359-L363 PolarHBondContact O-N 3.45Å
360	I	98.5	Very high	97.8	Very high	32 Å²	32	40.4 Å²	40.4	16%	0.164	22%	0.221	C	C	.	.	H	α-helix	trans	-53.9	-39.4	-171.8	-163.9	64.3	0	0	0	112.5	D353 S362 L363 E364	D353-I360 HydrophobicContact CB-CB 4.13Å; D353-I360 HydrophobicContact CB-CG2 4.01Å; D353-I360 WeakPolarHBondContact O-CB 3.31Å; D353-I360 PolarHBondContact O-N 3.22Å; I360-S362 PolarHBondContact O-N 2.75Å; I360-L363 PolarHBondContact O-N 3Å; I360-L363 VanDerWaalsContact O-N 3.14Å; I360-E364 WeakPolarHBondContact O-CB 3.49Å; I360-E364 VanDerWaalsContact O-CG 3.22Å; I360-E364 WeakPolarHBondContact O-CG 3.5Å; I360-E364 PolarHBondContact O-N 3.44Å
361	R	97	Very high	97.7	Very high	100 Å²	100	41.2 Å²	41.2	38%	0.377	24%	0.244	S	C	.	.	H	α-helix	trans	-53.2	-39	178.5	-71.8	178.5	156.7	-178.9	-3	113.5	E266 G359	E266-R361 IonicContact OE1-NH1 3.44Å; E266-R361 PolarHBondContact OE1-NH1 3.14Å; E266-R361 IonicContact OE2-CZ 2.71Å; E266-R361 IonicContact OE2-NH1 2.91Å; E266-R361 PolarHBondContact OE2-NH1 3.31Å; E266-R361 IonicContact OE2-NH2 3.18Å; G359-R361 PolarHBondContact O-N 2.94Å; G359-R361 VanDerWaalsContact O-N 3.12Å
362	S	98.7	Very high	97.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-82.1	-41.9	179.3	178.9	0	0	0	0	111.1	P215 F216 G217 G218 G359 I360 E364	P215-S362 WeakPolarHBondContact CA-OG 3.32Å; F216-S362 WeakPolarHBondContact CB-O 3.49Å; F216-S362 VanDerWaalsContact CD2-O 3.28Å; F216-S362 WeakPolarHBondContact CD2-O 3.12Å; F216-S362 PolarHBondContact N-OG 3.02Å; G217-S362 PolarHBondContact N-OG 2.92Å; G218-S362 PolarHBondContact N-OG 3.11Å; G218-S362 VanDerWaalsContact O-CB 3.29Å; G218-S362 WeakPolarHBondContact O-CB 3.28Å; G218-S362 PolarHBondContact O-OG 2.85Å; G359-S362 PolarHBondContact O-N 3.42Å; I360-S362 PolarHBondContact O-N 2.75Å; S362-E364 PolarHBondContact O-N 3.08Å
363	L	98.7	Very high	97.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-44.4	178.4	-72.4	173.3	0	0	0	113.3	H320 D355 V358 G359 I360	H320-L363 HydrophobicContact CB-CB 4.02Å; H320-L363 HydrophobicContact CB-CD1 4.24Å; H320-L363 HydrophobicContact CB-CD2 3.9Å; H320-L363 HydrophobicContact CB-CG 4.28Å; D355-L363 HydrophobicContact CB-CD1 3.83Å; V358-L363 HydrophobicContact CB-CD1 4.24Å; V358-L363 HydrophobicContact CB-CD2 3.77Å; V358-L363 HydrophobicContact CB-CG 3.81Å; V358-L363 HydrophobicContact CG1-CD2 3.76Å; V358-L363 HydrophobicContact CG1-CG 3.66Å; V358-L363 HydrophobicContact CG2-CD2 4.46Å; V358-L363 VanDerWaalsContact O-CD1 3.23Å; V358-L363 WeakPolarHBondContact O-CD1 3.32Å; G359-L363 PolarHBondContact O-N 3.45Å; I360-L363 PolarHBondContact O-N 3Å; I360-L363 VanDerWaalsContact O-N 3.14Å
364	E	98	Very high	97.8	Very high	53 Å²	53	42.5 Å²	42.5	25%	0.248	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.8	-171.1	79.7	178.1	177.1	0	0	113.3	I360 S362 C366 K367	I360-E364 WeakPolarHBondContact O-CB 3.49Å; I360-E364 VanDerWaalsContact O-CG 3.22Å; I360-E364 WeakPolarHBondContact O-CG 3.5Å; I360-E364 PolarHBondContact O-N 3.44Å; S362-E364 PolarHBondContact O-N 3.08Å; E364-C366 PolarHBondContact O-N 3.5Å; E364-K367 HydrophobicContact CB-CD 4.35Å; E364-K367 HydrophobicContact CG-CD 4.12Å; E364-K367 VanDerWaalsContact O-CB 3.27Å; E364-K367 WeakPolarHBondContact O-CB 3.03Å; E364-K367 WeakPolarHBondContact O-CG 3.16Å; E364-K367 PolarHBondContact O-N 3.44Å; E364-K367 IonicContact OE1-NZ 3.67Å; E364-K367 PolarHBondContact OE1-NZ 2.88Å; E364-K367 IonicContact OE2-NZ 3.67Å; E364-K367 PolarHBondContact OE2-NZ 3.13Å
365	Y	98.3	Very high	97.8	Very high	57 Å²	57	45.9 Å²	45.9	22%	0.224	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-55.1	-34.5	-172.4	-175.6	-92	0	0	0	112.8	L261 L307 K367 N368 W369	L261-Y365 HydrophobicContact CD1-CD2 4.32Å; L261-Y365 HydrophobicContact CD2-CD2 3.46Å; L261-Y365 VanDerWaalsContact CD2-CD2 3.46Å; L261-Y365 HydrophobicContact CD2-CE2 3.68Å; L261-Y365 HydrophobicContact CD2-CG 4.47Å; L261-Y365 HydrophobicContact CG-CD2 4.47Å; L307-Y365 HydrophobicContact CB-CD1 4.09Å; L307-Y365 HydrophobicContact CB-CE1 3.49Å; L307-Y365 VanDerWaalsContact CB-CE1 3.49Å; L307-Y365 HydrophobicContact CD1-CE2 4.19Å; L307-Y365 HydrophobicContact CD2-CD1 3.66Å; L307-Y365 HydrophobicContact CD2-CD2 4.06Å; L307-Y365 HydrophobicContact CD2-CE1 3.89Å; L307-Y365 HydrophobicContact CD2-CE2 4.22Å; L307-Y365 HydrophobicContact CD2-CG 3.74Å; L307-Y365 HydrophobicContact CG-CD1 4.4Å; L307-Y365 HydrophobicContact CG-CE1 4.14Å; L307-Y365 VanDerWaalsContact O-CE1 3.27Å; L307-Y365 WeakPolarHBondContact O-CE1 3.46Å; Y365-K367 PolarHBondContact O-N 3.12Å; Y365-N368 WeakPolarHBondContact O-CB 3.45Å; Y365-N368 PolarHBondContact O-N 2.88Å; Y365-N368 PolarHBondContact O-ND2 3.03Å; Y365-N368 VanDerWaalsContact O-ND2 3.13Å; Y365-W369 AromaticContact CE1-NE1 3.81Å
366	C	97.7	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-50.9	-24.4	175	61.5	0	0	0	0	113.7	F216 C318 E364 N368 W369 I372	F216-C366 HydrophobicContact CD2-CB 4.28Å; F216-C366 HydrophobicContact CE2-CB 3.55Å; F216-C366 HydrophobicContact CZ-CB 3.75Å; C318-C366 HydrophobicContact CB-CB 3.72Å; C318-C366 WeakPolarHBondContact CB-SG 3.44Å; C318-C366 WeakPolarHBondContact SG-CB 3.45Å; C318-C366 CovalentContact SG-SG 2.04Å; C318-C366 PolarHBondContact SG-SG 2.82Å; E364-C366 PolarHBondContact O-N 3.5Å; C366-N368 PolarHBondContact O-N 3.4Å; C366-N368 VanDerWaalsContact O-N 3.11Å; C366-W369 HydrophobicContact CB-CD2 4.39Å; C366-W369 HydrophobicContact CB-CE3 3.8Å; C366-W369 HydrophobicContact CB-CZ3 3.94Å; C366-W369 VanDerWaalsContact O-CB 3.31Å; C366-W369 WeakPolarHBondContact O-CB 3.37Å; C366-W369 PolarHBondContact O-N 2.91Å; C366-I372 HydrophobicContact CB-CG1 4.3Å; C366-I372 WeakPolarHBondContact O-CG2 3.19Å
367	K	97.3	Very high	97.9	Very high	98 Å²	98	48.2 Å²	48.2	43%	0.426	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-58.8	-21.6	176.3	79	-172.2	172.7	-177.5	0	113.7	E364 Y365 W369	E364-K367 HydrophobicContact CB-CD 4.35Å; E364-K367 HydrophobicContact CG-CD 4.12Å; E364-K367 VanDerWaalsContact O-CB 3.27Å; E364-K367 WeakPolarHBondContact O-CB 3.03Å; E364-K367 WeakPolarHBondContact O-CG 3.16Å; E364-K367 PolarHBondContact O-N 3.44Å; E364-K367 IonicContact OE1-NZ 3.67Å; E364-K367 PolarHBondContact OE1-NZ 2.88Å; E364-K367 IonicContact OE2-NZ 3.67Å; E364-K367 PolarHBondContact OE2-NZ 3.13Å; Y365-K367 PolarHBondContact O-N 3.12Å; K367-W369 VanDerWaalsContact C-N 3.28Å
368	N	97.3	Very high	98	Very high	102 Å²	102	49.8 Å²	49.8	55%	0.545	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-80	-10.5	177.4	-60	-46.4	0	0	0	112.7	Y365 C366	Y365-N368 WeakPolarHBondContact O-CB 3.45Å; Y365-N368 PolarHBondContact O-N 2.88Å; Y365-N368 PolarHBondContact O-ND2 3.03Å; Y365-N368 VanDerWaalsContact O-ND2 3.13Å; C366-N368 PolarHBondContact O-N 3.4Å; C366-N368 VanDerWaalsContact O-N 3.11Å
369	W	97.6	Very high	98	Very high	16 Å²	16	51.8 Å²	51.8	6%	0.061	29%	0.29	C	S	.	.	S	Bend	trans	-85.1	135.8	179.8	-62.1	-22.3	0	0	0	111.7	F211 F216 L307 M309 Y365 C366 K367 G371 I372	F211-W369 HydrophobicContact CD2-CZ3 4.34Å; F211-W369 HydrophobicContact CE2-CH2 4.37Å; F211-W369 AromaticContact CE2-CZ3 3.88Å; F211-W369 HydrophobicContact CE2-CZ3 3.88Å; F216-W369 AromaticContact CD1-CH2 3.59Å; F216-W369 HydrophobicContact CD1-CH2 3.59Å; F216-W369 HydrophobicContact CD1-CZ2 4.21Å; F216-W369 HydrophobicContact CD1-CZ3 4.36Å; F216-W369 AromaticContact CE1-CH2 3.28Å; F216-W369 HydrophobicContact CE1-CH2 3.28Å; F216-W369 HydrophobicContact CE1-CZ2 4.3Å; F216-W369 AromaticContact CE1-CZ3 3.65Å; F216-W369 HydrophobicContact CE1-CZ3 3.65Å; F216-W369 HydrophobicContact CZ-CH2 4.01Å; F216-W369 AromaticContact CZ-CZ3 3.95Å; F216-W369 HydrophobicContact CZ-CZ3 3.95Å; L307-W369 PolarHBondContact O-NE1 2.89Å; M309-W369 HydrophobicContact CB-CB 4.23Å; M309-W369 HydrophobicContact CB-CD2 3.78Å; M309-W369 HydrophobicContact CB-CE3 4.41Å; M309-W369 HydrophobicContact CB-CG 3.68Å; M309-W369 HydrophobicContact CG-CB 3.98Å; M309-W369 HydrophobicContact CG-CD2 3.92Å; M309-W369 HydrophobicContact CG-CE3 4.16Å; M309-W369 HydrophobicContact CG-CG 3.87Å; M309-W369 HydrophobicContact SD-CB 3.82Å; M309-W369 HydrophobicContact SD-CG 4.31Å; Y365-W369 AromaticContact CE1-NE1 3.81Å; C366-W369 HydrophobicContact CB-CD2 4.39Å; C366-W369 HydrophobicContact CB-CE3 3.8Å; C366-W369 HydrophobicContact CB-CZ3 3.94Å; C366-W369 VanDerWaalsContact O-CB 3.31Å; C366-W369 WeakPolarHBondContact O-CB 3.37Å; C366-W369 PolarHBondContact O-N 2.91Å; K367-W369 VanDerWaalsContact C-N 3.28Å; W369-G371 PolarHBondContact O-N 3.39Å; W369-I372 HydrophobicContact CB-CB 4.45Å; W369-I372 HydrophobicContact CE3-CD1 4.2Å; W369-I372 WeakPolarHBondContact O-CG2 3.46Å
370	P	96.3	Very high	98	Very high	104 Å²	104	51.3 Å²	51.3	68%	0.675	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	135	-179	27.1	-34.8	0	0	0	111.7	M309 I372	M309-P370 WeakPolarHBondContact CE-O 3.43Å; M309-P370 HydrophobicContact SD-CG 4Å; P370-I372 PolarHBondContact O-N 2.8Å
371	G	96	Very high	97.9	Very high	77 Å²	77	52.5 Å²	52.5	79%	0.794	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	5.2	174.1	0	0	0	0	0	115.6	W369	W369-G371 PolarHBondContact O-N 3.39Å
372	I	97.6	Very high	97.9	Very high	29 Å²	29	48.1 Å²	48.1	15%	0.149	27%	0.273	C	S	.	.			trans	-61.3	137.9	178	-165.9	66.5	0	0	0	111.4	I316 C318 C366 W369 P370	I316-I372 HydrophobicContact CB-CD1 3.68Å; I316-I372 HydrophobicContact CG2-CD1 3.37Å; I316-I372 WeakPolarHBondContact O-CD1 3.43Å; C318-I372 HydrophobicContact CB-CD1 4.12Å; C318-I372 HydrophobicContact CB-CG1 3.97Å; C366-I372 HydrophobicContact CB-CG1 4.3Å; C366-I372 WeakPolarHBondContact O-CG2 3.19Å; W369-I372 HydrophobicContact CB-CB 4.45Å; W369-I372 HydrophobicContact CE3-CD1 4.2Å; W369-I372 WeakPolarHBondContact O-CG2 3.46Å; P370-I372 PolarHBondContact O-N 2.8Å
373	K	98.5	Very high	97.8	Very high	89 Å²	89	50.7 Å²	50.7	39%	0.387	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	104.7	168	-66.2	166.8	-174.2	158.5	0	108.8	D315 I316 H317 C318 Y375	D315-K373 IonicContact OD1-NZ 2.72Å; D315-K373 PolarHBondContact OD1-NZ 2.7Å; D315-K373 IonicContact OD2-NZ 3.69Å; I316-K373 PolarHBondContact O-N 2.78Å; H317-K373 CarbonylContact C-O 3.44Å; H317-K373 WeakPolarHBondContact CA-O 3.46Å; H317-K373 WeakPolarHBondContact CE1-CD 3.46Å; H317-K373 WeakPolarHBondContact NE2-CD 3.36Å; C318-K373 PolarHBondContact N-O 3.47Å; K373-Y375 HydrophobicContact CB-CE2 3.74Å; K373-Y375 WeakPolarHBondContact O-CD2 3.4Å; K373-Y375 VanDerWaalsContact O-CE2 3.31Å; K373-Y375 WeakPolarHBondContact O-CE2 3.21Å
374	H	98.4	Very high	97.6	Very high	65 Å²	65	58.3 Å²	58.3	30%	0.301	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.9	-172.4	-176.6	-143.4	0	0	0	111.7	C318 H320	C318-H374 CarbonylContact O-C 3.56Å; C318-H374 WeakPolarHBondContact O-CA 3.4Å; H320-H374 AromaticContact CD2-NE2 3.41Å; H320-H374 PolarHBondContact CD2-NE2 2.85Å; H320-H374 AromaticContact CE1-NE2 3.92Å; H320-H374 AromaticContact NE2-CD2 3.85Å; H320-H374 AromaticContact NE2-CE1 3.65Å; H320-H374 AromaticContact NE2-NE2 2.81Å; H320-H374 PolarHBondContact NE2-NE2 3.28Å
375	Y	98.7	Very high	97.6	Very high	71 Å²	71	55.8 Å²	55.8	28%	0.278	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.9	-178.3	-53.5	-95	0	0	0	109.6	H317 C318 I319 H320 K373 I394	H317-Y375 HydrophobicContact CB-CE2 4.23Å; H317-Y375 AromaticContact ND1-CE2 3.31Å; H317-Y375 VanDerWaalsContact ND1-CE2 3.31Å; H317-Y375 WeakPolarHBondContact ND1-CE2 3.5Å; H317-Y375 AromaticContact ND1-CZ 3.71Å; H317-Y375 PolarHBondContact ND1-OH 2.98Å; C318-Y375 PolarHBondContact O-N 2.9Å; I319-Y375 WeakPolarHBondContact CA-O 3.41Å; I319-Y375 HydrophobicContact CG1-CD2 3.81Å; I319-Y375 HydrophobicContact CG1-CG 4.27Å; H320-Y375 PolarHBondContact N-O 3.25Å; H320-Y375 VanDerWaalsContact N-O 3.08Å; K373-Y375 HydrophobicContact CB-CE2 3.74Å; K373-Y375 WeakPolarHBondContact O-CD2 3.4Å; K373-Y375 VanDerWaalsContact O-CE2 3.31Å; K373-Y375 WeakPolarHBondContact O-CE2 3.21Å; Y375-I394 HydrophobicContact CD1-CD1 3.63Å; Y375-I394 HydrophobicContact CD1-CG1 4.12Å; Y375-I394 HydrophobicContact CD1-CG2 4.39Å; Y375-I394 HydrophobicContact CD2-CG2 4.46Å; Y375-I394 HydrophobicContact CE1-CD1 4.34Å; Y375-I394 HydrophobicContact CE1-CG1 4.34Å; Y375-I394 HydrophobicContact CE1-CG2 4.23Å; Y375-I394 HydrophobicContact CE2-CG2 4.32Å; Y375-I394 HydrophobicContact CG-CD1 3.89Å; Y375-I394 HydrophobicContact CG-CG2 4.5Å
376	V	98.7	Very high	97.6	Very high	64 Å²	64	53 Å²	53	39%	0.388	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.4	173.6	-172.3	0	0	0	0	108.4	S322 P378	S322-V376 WeakPolarHBondContact OG-CG1 3.23Å; V376-P378 VanDerWaalsContact O-CD 3.26Å; V376-P378 WeakPolarHBondContact O-CD 3.45Å
377	L	98.7	Very high	97.5	Very high	10 Å²	10	55.2 Å²	55.2	5%	0.052	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	84.4	179.8	-58	-173.2	0	0	0	109.5	I319 H320 G321 G379 A380 I385 R390 H391 I394	I319-L377 HydrophobicContact CG2-CD1 3.76Å; I319-L377 HydrophobicContact CG2-CG 4.09Å; H320-L377 PolarHBondContact O-N 2.7Å; G321-L377 WeakPolarHBondContact CA-O 3.39Å; L377-G379 PolarHBondContact O-N 2.71Å; L377-A380 HydrophobicContact CB-CB 3.75Å; L377-A380 VanDerWaalsContact O-CB 3.26Å; L377-A380 WeakPolarHBondContact O-CB 3.32Å; L377-A380 PolarHBondContact O-N 3.38Å; L377-I385 HydrophobicContact CD1-CD1 4.2Å; L377-I385 HydrophobicContact CD1-CG1 4.09Å; L377-R390 HydrophobicContact CD1-CB 4.21Å; L377-R390 HydrophobicContact CD2-CB 3.8Å; L377-H391 HydrophobicContact CD1-CB 3.74Å; L377-I394 HydrophobicContact CD2-CD1 4.14Å
378	P	98.6	Very high	97.5	Very high	62 Å²	62	52 Å²	52	40%	0.403	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.8	130	176.2	-35.1	39.8	0	0	0	112.9	V376 A380 R390	V376-P378 VanDerWaalsContact O-CD 3.26Å; V376-P378 WeakPolarHBondContact O-CD 3.45Å; P378-A380 PolarHBondContact O-N 3.24Å; P378-R390 PolarHBondContact O-NH1 2.69Å; P378-R390 PolarHBondContact O-NH2 3.37Å
379	G	98.3	Very high	97.5	Very high	46 Å²	46	51.9 Å²	51.9	47%	0.474	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	-0.2	179	0	0	0	0	0	115.8	S322 L377 E381	S322-G379 PolarHBondContact O-N 2.98Å; L377-G379 PolarHBondContact O-N 2.71Å; G379-E381 PolarHBondContact O-N 3.07Å
380	A	98.2	Very high	97.5	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.017	31%	0.309	C	S	.	.			trans	-74.4	110.1	172.4	0	0	0	0	0	109.8	G321 L377 P378 I385	G321-A380 VanDerWaalsContact CA-O 3.29Å; G321-A380 WeakPolarHBondContact CA-O 3.48Å; L377-A380 HydrophobicContact CB-CB 3.75Å; L377-A380 VanDerWaalsContact O-CB 3.26Å; L377-A380 WeakPolarHBondContact O-CB 3.32Å; L377-A380 PolarHBondContact O-N 3.38Å; P378-A380 PolarHBondContact O-N 3.24Å; A380-I385 HydrophobicContact CB-CB 4.15Å; A380-I385 HydrophobicContact CB-CD1 4.22Å; A380-I385 HydrophobicContact CB-CG1 3.89Å
381	E	97.4	Very high	97.6	Very high	57 Å²	57	50.4 Å²	50.4	27%	0.266	28%	0.277	S	S	.	.			trans	-71.3	149.5	178.1	-175.4	-74.8	149.3	0	0	111.3	L324 D355 G379 V383 R384 I385	L324-E381 HydrophobicContact CD1-CB 3.75Å; L324-E381 HydrophobicContact CD1-CG 4.35Å; D355-E381 CarbonylContact O-C 3.33Å; D355-E381 WeakPolarHBondContact O-CA 3.35Å; G379-E381 PolarHBondContact O-N 3.07Å; E381-V383 VanDerWaalsContact C-N 3.31Å; E381-V383 PolarHBondContact O-N 2.8Å; E381-V383 VanDerWaalsContact O-N 3.12Å; E381-V383 PolarHBondContact OE2-N 2.94Å; E381-R384 HydrophobicContact CB-CB 4.13Å; E381-R384 HydrophobicContact CB-CG 4.46Å; E381-R384 CarbonylContact O-C 3.32Å; E381-R384 PolarHBondContact O-N 3Å; E381-R384 WeakPolarHBondContact OE2-CG 3.24Å; E381-R384 PolarHBondContact OE2-N 2.99Å; E381-I385 PolarHBondContact O-N 3.05Å
382	H	97.5	Very high	97.7	Very high	9 Å²	9	47 Å²	47	4%	0.042	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.5	-53.6	-172.6	-170.7	68.7	0	0	0	114	H183 S184 S213 D355 V358 I385	H183-H382 PolarHBondContact NE2-O 3.44Å; S184-H382 VanDerWaalsContact CB-NE2 3.31Å; S184-H382 WeakPolarHBondContact CB-NE2 3.12Å; S184-H382 PolarHBondContact OG-CE1 3.32Å; S184-H382 PolarHBondContact OG-NE2 3.41Å; S213-H382 PolarHBondContact O-CE1 2.87Å; D355-H382 HydrophobicContact CB-CB 4.34Å; D355-H382 VanDerWaalsContact CG-ND1 3.33Å; D355-H382 PolarHBondContact O-N 3.37Å; D355-H382 WeakPolarHBondContact OD1-CB 3.36Å; D355-H382 IonicContact OD1-CG 3.19Å; D355-H382 IonicContact OD1-ND1 2.66Å; D355-H382 PolarHBondContact OD1-ND1 3.47Å; D355-H382 IonicContact OD2-CE1 2.69Å; D355-H382 IonicContact OD2-CG 3.52Å; D355-H382 IonicContact OD2-ND1 3.79Å; D355-H382 PolarHBondContact OD2-ND1 3Å; V358-H382 VanDerWaalsContact CG2-CE1 3.42Å; V358-H382 WeakPolarHBondContact CG2-CE1 3.5Å; H382-I385 WeakPolarHBondContact O-CG2 3.49Å
383	V	95.4	Very high	97.8	Very high	54 Å²	54	49 Å²	49	33%	0.327	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-40.8	179.5	-179.7	0	0	0	0	110.9	Y121 E381 I385 L386	Y121-V383 HydrophobicContact CD2-CG1 3.87Å; Y121-V383 HydrophobicContact CE2-CG1 4.28Å; E381-V383 VanDerWaalsContact C-N 3.31Å; E381-V383 PolarHBondContact O-N 2.8Å; E381-V383 VanDerWaalsContact O-N 3.12Å; E381-V383 PolarHBondContact OE2-N 2.94Å; V383-I385 PolarHBondContact O-N 3.02Å; V383-I385 VanDerWaalsContact O-N 3.16Å; V383-L386 PolarHBondContact O-N 3.31Å
384	R	95.4	Very high	97.8	Very high	159 Å²	159	46.1 Å²	46.1	60%	0.6	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-66.9	-15.2	-176.1	-66.7	-179.1	175	-172.4	-0.1	113.8	E381 L386 S387 D388	E381-R384 HydrophobicContact CB-CB 4.13Å; E381-R384 HydrophobicContact CB-CG 4.46Å; E381-R384 CarbonylContact O-C 3.32Å; E381-R384 PolarHBondContact O-N 3Å; E381-R384 WeakPolarHBondContact OE2-CG 3.24Å; E381-R384 PolarHBondContact OE2-N 2.99Å; R384-L386 PolarHBondContact O-N 2.87Å; R384-S387 CarbonylContact O-C 3.59Å; R384-S387 WeakPolarHBondContact O-CA 3.37Å; R384-S387 PolarHBondContact O-N 3.47Å; R384-D388 PolarHBondContact O-N 3.07Å; R384-D388 VanDerWaalsContact O-N 3.1Å
385	I	97.8	Very high	97.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-53.7	-35.2	172.7	-162.8	169.2	0	0	0	111.7	I319 L377 A380 E381 H382 V383 S387 D388 H391	I319-I385 HydrophobicContact CG2-CD1 4.25Å; L377-I385 HydrophobicContact CD1-CD1 4.2Å; L377-I385 HydrophobicContact CD1-CG1 4.09Å; A380-I385 HydrophobicContact CB-CB 4.15Å; A380-I385 HydrophobicContact CB-CD1 4.22Å; A380-I385 HydrophobicContact CB-CG1 3.89Å; E381-I385 PolarHBondContact O-N 3.05Å; H382-I385 WeakPolarHBondContact O-CG2 3.49Å; V383-I385 PolarHBondContact O-N 3.02Å; V383-I385 VanDerWaalsContact O-N 3.16Å; I385-S387 PolarHBondContact O-N 2.82Å; I385-S387 VanDerWaalsContact O-N 3.14Å; I385-D388 WeakPolarHBondContact O-CB 3.35Å; I385-D388 PolarHBondContact O-N 2.86Å; I385-H391 HydrophobicContact CG1-CB 4.11Å; I385-H391 WeakPolarHBondContact O-CB 3.41Å; I385-H391 VanDerWaalsContact O-CG 3.31Å
386	L	97.6	Very high	97.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-67.2	-13.2	177.4	-60.2	-179.3	0	0	0	113.6	Y121 F122 H183 V383 R384	Y121-L386 HydrophobicContact CD1-CD1 4.46Å; Y121-L386 HydrophobicContact CD2-CD1 3.64Å; Y121-L386 HydrophobicContact CE1-CD1 4.24Å; Y121-L386 HydrophobicContact CE2-CD1 3.41Å; Y121-L386 VanDerWaalsContact CE2-CD1 3.41Å; Y121-L386 HydrophobicContact CG-CD1 4.15Å; F122-L386 HydrophobicContact CD1-CD1 4.25Å; F122-L386 HydrophobicContact CD1-CD2 4.31Å; F122-L386 HydrophobicContact CD2-CD1 4.34Å; F122-L386 HydrophobicContact CE1-CD1 4.17Å; F122-L386 HydrophobicContact CE1-CD2 3.83Å; F122-L386 HydrophobicContact CE2-CD1 4.27Å; F122-L386 HydrophobicContact CG-CD1 4.34Å; F122-L386 HydrophobicContact CZ-CD1 4.19Å; F122-L386 HydrophobicContact CZ-CD2 4.3Å; H183-L386 HydrophobicContact CB-CD1 4.31Å; H183-L386 HydrophobicContact CB-CD2 4.21Å; V383-L386 PolarHBondContact O-N 3.31Å; R384-L386 PolarHBondContact O-N 2.87Å
387	S	95.8	Very high	97.7	Very high	45 Å²	45	46 Å²	46	32%	0.315	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-112.2	-0.2	174.5	-62.8	0	0	0	0	113.1	S124 R384 I385	S124-S387 WeakPolarHBondContact CB-OG 3.39Å; S124-S387 VanDerWaalsContact OG-CB 3.23Å; S124-S387 WeakPolarHBondContact OG-CB 3.44Å; S124-S387 PolarHBondContact OG-OG 3.22Å; R384-S387 CarbonylContact O-C 3.59Å; R384-S387 WeakPolarHBondContact O-CA 3.37Å; R384-S387 PolarHBondContact O-N 3.47Å; I385-S387 PolarHBondContact O-N 2.82Å; I385-S387 VanDerWaalsContact O-N 3.14Å
388	D	97.3	Very high	97.6	Very high	30 Å²	30	46.4 Å²	46.4	16%	0.16	24%	0.237	C	C	.	.			trans	-73.9	128.3	177.8	-170	-59.2	0	0	0	109.7	R384 I385 R390 H391 I392	R384-D388 PolarHBondContact O-N 3.07Å; R384-D388 VanDerWaalsContact O-N 3.1Å; I385-D388 WeakPolarHBondContact O-CB 3.35Å; I385-D388 PolarHBondContact O-N 2.86Å; D388-R390 PolarHBondContact O-N 2.77Å; D388-R390 WeakPolarHBondContact OD1-CA 3.42Å; D388-R390 WeakPolarHBondContact OD1-CB 3.25Å; D388-R390 WeakPolarHBondContact OD1-CG 3.34Å; D388-R390 IonicContact OD1-CZ 2.74Å; D388-R390 PolarHBondContact OD1-N 2.94Å; D388-R390 IonicContact OD1-NE 3.49Å; D388-R390 PolarHBondContact OD1-NE 3.31Å; D388-R390 IonicContact OD1-NH2 3.64Å; D388-R390 IonicContact OD2-CZ 3.72Å; D388-R390 IonicContact OD2-NE 2.82Å; D388-R390 PolarHBondContact OD2-NE 3.14Å; D388-R390 IonicContact OD2-NH2 2.68Å; D388-R390 PolarHBondContact OD2-NH2 2.81Å; D388-H391 HydrophobicContact CB-CB 4.17Å; D388-H391 WeakPolarHBondContact O-CB 3.38Å; D388-H391 PolarHBondContact O-N 3.04Å; D388-H391 VanDerWaalsContact O-N 3.12Å; D388-I392 WeakPolarHBondContact O-CG1 3.49Å; D388-I392 PolarHBondContact O-N 2.66Å
389	I	97.4	Very high	97.6	Very high	101 Å²	101	43.4 Å²	43.4	52%	0.518	22%	0.218	S	C	.	.	H	α-helix	trans	-61.2	-30.3	-177.7	-167.9	62.8	0	0	0	112.6	N393	I389-N393 VanDerWaalsContact O-CB 3.32Å; I389-N393 WeakPolarHBondContact O-CB 3.3Å; I389-N393 PolarHBondContact O-N 3.18Å; I389-N393 PolarHBondContact O-ND2 2.88Å
390	R	98.5	Very high	97.5	Very high	89 Å²	89	44 Å²	44	34%	0.336	21%	0.21	S	C	.	.	H	α-helix	trans	-68.1	-44.2	177.1	-56.2	169.5	-68.5	177.4	-2.5	110.3	L377 P378 D388 N393 I394	L377-R390 HydrophobicContact CD1-CB 4.21Å; L377-R390 HydrophobicContact CD2-CB 3.8Å; P378-R390 PolarHBondContact O-NH1 2.69Å; P378-R390 PolarHBondContact O-NH2 3.37Å; D388-R390 PolarHBondContact O-N 2.77Å; D388-R390 WeakPolarHBondContact OD1-CA 3.42Å; D388-R390 WeakPolarHBondContact OD1-CB 3.25Å; D388-R390 WeakPolarHBondContact OD1-CG 3.34Å; D388-R390 IonicContact OD1-CZ 2.74Å; D388-R390 PolarHBondContact OD1-N 2.94Å; D388-R390 IonicContact OD1-NE 3.49Å; D388-R390 PolarHBondContact OD1-NE 3.31Å; D388-R390 IonicContact OD1-NH2 3.64Å; D388-R390 IonicContact OD2-CZ 3.72Å; D388-R390 IonicContact OD2-NE 2.82Å; D388-R390 PolarHBondContact OD2-NE 3.14Å; D388-R390 IonicContact OD2-NH2 2.68Å; D388-R390 PolarHBondContact OD2-NH2 2.81Å; R390-N393 PolarHBondContact O-N 3.42Å; R390-I394 WeakPolarHBondContact O-CD1 3.4Å; R390-I394 VanDerWaalsContact O-CG1 3.29Å; R390-I394 WeakPolarHBondContact O-CG1 3.36Å; R390-I394 PolarHBondContact O-N 3.4Å; R390-I394 VanDerWaalsContact O-N 3.09Å
391	H	98.5	Very high	97.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-52.7	174.2	177.4	-84.3	0	0	0	110.2	S212 L377 I385 D388 N393 I394 I395	S212-H391 PolarHBondContact OG-NE2 3.41Å; L377-H391 HydrophobicContact CD1-CB 3.74Å; I385-H391 HydrophobicContact CG1-CB 4.11Å; I385-H391 WeakPolarHBondContact O-CB 3.41Å; I385-H391 VanDerWaalsContact O-CG 3.31Å; D388-H391 HydrophobicContact CB-CB 4.17Å; D388-H391 WeakPolarHBondContact O-CB 3.38Å; D388-H391 PolarHBondContact O-N 3.04Å; D388-H391 VanDerWaalsContact O-N 3.12Å; H391-N393 VanDerWaalsContact C-N 3.31Å; H391-N393 PolarHBondContact O-N 3.13Å; H391-I394 WeakPolarHBondContact O-CB 3.37Å; H391-I394 PolarHBondContact O-N 3.31Å; H391-I395 VanDerWaalsContact CE1-CG1 3.42Å; H391-I395 WeakPolarHBondContact CE1-CG1 3.5Å; H391-I395 WeakPolarHBondContact O-CG1 3.39Å; H391-I395 PolarHBondContact O-N 3.14Å
392	I	98.3	Very high	96.9	Very high	6 Å²	6	48 Å²	48	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-54.1	-48.8	179.2	-67.9	169.9	0	0	0	110.4	L125 V128 D388 I394 I395 L396	L125-I392 HydrophobicContact CD1-CG1 4.4Å; L125-I392 HydrophobicContact CD1-CG2 4.3Å; V128-I392 HydrophobicContact CB-CG2 4.29Å; V128-I392 HydrophobicContact CG1-CG2 4Å; V128-I392 HydrophobicContact CG2-CG2 4.38Å; D388-I392 WeakPolarHBondContact O-CG1 3.49Å; D388-I392 PolarHBondContact O-N 2.66Å; I392-I394 VanDerWaalsContact C-N 3.32Å; I392-I394 PolarHBondContact O-N 2.69Å; I392-I395 PolarHBondContact O-N 2.98Å; I392-I395 VanDerWaalsContact O-N 3.09Å; I392-L396 HydrophobicContact CG2-CD1 4.02Å; I392-L396 HydrophobicContact CG2-CG 4.13Å; I392-L396 VanDerWaalsContact O-CG 3.29Å; I392-L396 WeakPolarHBondContact O-CG 3.31Å; I392-L396 PolarHBondContact O-N 3.4Å
393	N	98.1	Very high	96.2	Very high	70 Å²	70	48.7 Å²	48.7	37%	0.374	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-37.7	179.4	-72.9	-15.8	0	0	0	113.2	I389 R390 H391 K397	I389-N393 VanDerWaalsContact O-CB 3.32Å; I389-N393 WeakPolarHBondContact O-CB 3.3Å; I389-N393 PolarHBondContact O-N 3.18Å; I389-N393 PolarHBondContact O-ND2 2.88Å; R390-N393 PolarHBondContact O-N 3.42Å; H391-N393 VanDerWaalsContact C-N 3.31Å; H391-N393 PolarHBondContact O-N 3.13Å; N393-K397 WeakPolarHBondContact O-CB 3.47Å; N393-K397 PolarHBondContact O-N 2.84Å; N393-K397 VanDerWaalsContact O-N 3.08Å
394	I	98.4	Very high	94.4	Very high	28 Å²	28	51.7 Å²	51.7	14%	0.144	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-47.3	173.5	-67.7	160.9	0	0	0	109.9	I319 Y375 L377 R390 H391 I392 L396 K397 I398	I319-I394 HydrophobicContact CD1-CB 4.31Å; I319-I394 HydrophobicContact CD1-CG2 3.6Å; I319-I394 HydrophobicContact CG1-CG2 4.42Å; Y375-I394 HydrophobicContact CD1-CD1 3.63Å; Y375-I394 HydrophobicContact CD1-CG1 4.12Å; Y375-I394 HydrophobicContact CD1-CG2 4.39Å; Y375-I394 HydrophobicContact CD2-CG2 4.46Å; Y375-I394 HydrophobicContact CE1-CD1 4.34Å; Y375-I394 HydrophobicContact CE1-CG1 4.34Å; Y375-I394 HydrophobicContact CE1-CG2 4.23Å; Y375-I394 HydrophobicContact CE2-CG2 4.32Å; Y375-I394 HydrophobicContact CG-CD1 3.89Å; Y375-I394 HydrophobicContact CG-CG2 4.5Å; L377-I394 HydrophobicContact CD2-CD1 4.14Å; R390-I394 WeakPolarHBondContact O-CD1 3.4Å; R390-I394 VanDerWaalsContact O-CG1 3.29Å; R390-I394 WeakPolarHBondContact O-CG1 3.36Å; R390-I394 PolarHBondContact O-N 3.4Å; R390-I394 VanDerWaalsContact O-N 3.09Å; H391-I394 WeakPolarHBondContact O-CB 3.37Å; H391-I394 PolarHBondContact O-N 3.31Å; I392-I394 VanDerWaalsContact C-N 3.32Å; I392-I394 PolarHBondContact O-N 2.69Å; I394-L396 PolarHBondContact O-N 3.01Å; I394-K397 PolarHBondContact O-N 2.84Å; I394-I398 HydrophobicContact CG2-CD1 3.75Å; I394-I398 HydrophobicContact CG2-CG1 4.44Å; I394-I398 VanDerWaalsContact O-CG1 3.3Å; I394-I398 WeakPolarHBondContact O-CG1 3.47Å; I394-I398 PolarHBondContact O-N 2.8Å
395	I	98.6	Very high	92.5	Very high	2 Å²	2	52 Å²	52	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-45.5	178.7	-59.7	-50.7	0	0	0	111.3	L125 L181 V210 I319 H391 I392 K397 I398 L399	L125-I395 HydrophobicContact CD1-CB 4.18Å; L125-I395 HydrophobicContact CD1-CG2 3.88Å; L125-I395 HydrophobicContact CD2-CG2 4.12Å; L181-I395 HydrophobicContact CD1-CD1 3.69Å; L181-I395 HydrophobicContact CD2-CD1 4.25Å; L181-I395 HydrophobicContact CD2-CG1 4.3Å; L181-I395 HydrophobicContact CD2-CG2 4.18Å; V210-I395 HydrophobicContact CB-CD1 4.46Å; V210-I395 HydrophobicContact CG1-CD1 3.52Å; I319-I395 HydrophobicContact CD1-CD1 3.83Å; H391-I395 VanDerWaalsContact CE1-CG1 3.42Å; H391-I395 WeakPolarHBondContact CE1-CG1 3.5Å; H391-I395 WeakPolarHBondContact O-CG1 3.39Å; H391-I395 PolarHBondContact O-N 3.14Å; I392-I395 PolarHBondContact O-N 2.98Å; I392-I395 VanDerWaalsContact O-N 3.09Å; I395-K397 VanDerWaalsContact C-N 3.29Å; I395-K397 PolarHBondContact O-N 2.75Å; I395-I398 PolarHBondContact O-N 2.9Å; I395-L399 HydrophobicContact CG2-CD1 3.53Å; I395-L399 HydrophobicContact CG2-CG 4.15Å; I395-L399 WeakPolarHBondContact O-CB 3.48Å; I395-L399 VanDerWaalsContact O-CG 3.28Å; I395-L399 WeakPolarHBondContact O-CG 2.96Å; I395-L399 PolarHBondContact O-N 3.33Å
396	L	98	Very high	89.7	Confident	17 Å²	17	58.2 Å²	58.2	9%	0.089	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-41.7	177	-66.5	-179.4	0	0	0	112.1	V128 L129 I392 I394 L399 N400 A401 I403	V128-L396 HydrophobicContact CG1-CD1 3.89Å; V128-L396 HydrophobicContact CG1-CD2 4.24Å; L129-L396 HydrophobicContact CD2-CD2 3.47Å; L129-L396 VanDerWaalsContact CD2-CD2 3.47Å; L129-L396 HydrophobicContact CG-CD2 4.16Å; I392-L396 HydrophobicContact CG2-CD1 4.02Å; I392-L396 HydrophobicContact CG2-CG 4.13Å; I392-L396 VanDerWaalsContact O-CG 3.29Å; I392-L396 WeakPolarHBondContact O-CG 3.31Å; I392-L396 PolarHBondContact O-N 3.4Å; I394-L396 PolarHBondContact O-N 3.01Å; L396-L399 PolarHBondContact O-N 2.61Å; L396-N400 PolarHBondContact O-N 3.39Å; L396-A401 HydrophobicContact CB-CB 4.34Å; L396-A401 HydrophobicContact CD2-CB 3.82Å; L396-A401 PolarHBondContact O-N 3.47Å; L396-I403 HydrophobicContact CD1-CD1 3.85Å; L396-I403 HydrophobicContact CD1-CG1 4.5Å; L396-I403 HydrophobicContact CD2-CD1 3.38Å; L396-I403 HydrophobicContact CD2-CG1 4.27Å; L396-I403 HydrophobicContact CG-CD1 4.24Å
397	K	97.2	Very high	89.3	Confident	178 Å²	178	61.1 Å²	61.1	77%	0.774	35%	0.346	S	S	*	.	H	α-helix	trans	-65	-43.7	176.8	-176.1	176.9	179.8	176.9	0	112.1	N393 I394 I395 L399 N400	N393-K397 WeakPolarHBondContact O-CB 3.47Å; N393-K397 PolarHBondContact O-N 2.84Å; N393-K397 VanDerWaalsContact O-N 3.08Å; I394-K397 PolarHBondContact O-N 2.84Å; I395-K397 VanDerWaalsContact C-N 3.29Å; I395-K397 PolarHBondContact O-N 2.75Å; K397-L399 VanDerWaalsContact C-N 3.32Å; K397-N400 PolarHBondContact O-N 2.84Å
398	I	97.7	Very high	89	Confident	19 Å²	19	61.9 Å²	61.9	10%	0.097	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-42.8	178.1	-66.5	165.9	0	0	0	110.6	V179 V210 H317 I394 I395 N400	V179-I398 HydrophobicContact CG1-CG2 4.2Å; V179-I398 HydrophobicContact CG2-CG2 4.27Å; V210-I398 HydrophobicContact CG1-CD1 4.09Å; V210-I398 HydrophobicContact CG2-CD1 3.86Å; V210-I398 HydrophobicContact CG2-CG2 4.02Å; H317-I398 HydrophobicContact CB-CD1 4.15Å; H317-I398 VanDerWaalsContact CE1-CG1 3.45Å; H317-I398 WeakPolarHBondContact CE1-CG1 3.18Å; H317-I398 VanDerWaalsContact ND1-CD1 3.33Å; H317-I398 WeakPolarHBondContact ND1-CD1 3.46Å; I394-I398 HydrophobicContact CG2-CD1 3.75Å; I394-I398 HydrophobicContact CG2-CG1 4.44Å; I394-I398 VanDerWaalsContact O-CG1 3.3Å; I394-I398 WeakPolarHBondContact O-CG1 3.47Å; I394-I398 PolarHBondContact O-N 2.8Å; I395-I398 PolarHBondContact O-N 2.9Å; I398-N400 PolarHBondContact O-N 3.45Å
399	L	98.1	Very high	88.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-73.3	-10.9	179	-70.8	171.5	0	0	0	113.4	P32 Y33 L35 L129 Y135 V179 I395 L396 K397 A401	P32-L399 CarbonylContact C-O 3.56Å; P32-L399 VanDerWaalsContact CA-O 3.26Å; P32-L399 WeakPolarHBondContact CA-O 3.15Å; Y33-L399 PolarHBondContact N-O 3.12Å; Y33-L399 WeakPolarHBondContact O-CD2 3.23Å; L35-L399 HydrophobicContact CB-CD2 4.07Å; L35-L399 HydrophobicContact CD1-CD2 4.28Å; L35-L399 HydrophobicContact CD2-CD1 4.25Å; L129-L399 HydrophobicContact CD1-CD1 4.08Å; L129-L399 HydrophobicContact CD2-CD1 3.68Å; Y135-L399 HydrophobicContact CE1-CD1 4.22Å; Y135-L399 HydrophobicContact CE1-CD2 4.47Å; Y135-L399 VanDerWaalsContact OH-CB 3.31Å; Y135-L399 WeakPolarHBondContact OH-CB 3.42Å; Y135-L399 PolarHBondContact OH-O 2.97Å; V179-L399 HydrophobicContact CB-CD2 3.6Å; V179-L399 HydrophobicContact CG1-CD2 3.99Å; V179-L399 HydrophobicContact CG2-CD2 3.7Å; I395-L399 HydrophobicContact CG2-CD1 3.53Å; I395-L399 HydrophobicContact CG2-CG 4.15Å; I395-L399 WeakPolarHBondContact O-CB 3.48Å; I395-L399 VanDerWaalsContact O-CG 3.28Å; I395-L399 WeakPolarHBondContact O-CG 2.96Å; I395-L399 PolarHBondContact O-N 3.33Å; L396-L399 PolarHBondContact O-N 2.61Å; K397-L399 VanDerWaalsContact C-N 3.32Å; L399-A401 HydrophobicContact CB-CB 4.44Å; L399-A401 PolarHBondContact O-N 2.85Å
400	N	96.7	Very high	88	Confident	57 Å²	57	61.5 Å²	61.5	31%	0.305	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	42.1	-170.2	-166.1	38.8	0	0	0	112	N30 G31 P32 Y33 L396 K397 I398	N30-N400 PolarHBondContact O-ND2 3.29Å; G31-N400 VanDerWaalsContact C-ND2 3.32Å; G31-N400 PolarHBondContact O-ND2 3.09Å; P32-N400 WeakPolarHBondContact CA-O 3.26Å; Y33-N400 HydrophobicContact CD2-CB 4.39Å; Y33-N400 HydrophobicContact CE2-CB 4.44Å; L396-N400 PolarHBondContact O-N 3.39Å; K397-N400 PolarHBondContact O-N 2.84Å; I398-N400 PolarHBondContact O-N 3.45Å
401	A	94.8	Very high	87.4	Confident	19 Å²	19	59.8 Å²	59.8	16%	0.157	35%	0.35	C	S	.	.			trans	-75.2	133.9	178.8	0	0	0	0	0	110.7	L129 Y135 L396 L399 I403	L129-A401 HydrophobicContact CD2-CB 4.2Å; Y135-A401 HydrophobicContact CE2-CB 3.55Å; L396-A401 HydrophobicContact CB-CB 4.34Å; L396-A401 HydrophobicContact CD2-CB 3.82Å; L396-A401 PolarHBondContact O-N 3.47Å; L399-A401 HydrophobicContact CB-CB 4.44Å; L399-A401 PolarHBondContact O-N 2.85Å; A401-I403 HydrophobicContact CB-CG1 4.24Å; A401-I403 PolarHBondContact O-N 3.16Å
402	N	88.9	Confident	86.6	Confident	124 Å²	124	63.8 Å²	63.8	66%	0.663	37%	0.373	S	S	*	.			trans	-98	81.1	179.4	-167.3	8.8	0	0	0	110.2	D132	D132-N402 PolarHBondContact OD2-N 3.02Å
403	I	81.9	Confident	85.8	Confident	25 Å²	25	67.9 Å²	67.9	13%	0.128	40%	0.397	C	S	.	.			trans	-103.2	101	178.2	-54.4	-168.2	0	0	0	107.9	V128 K131 D132 L396 A401 H405	V128-I403 HydrophobicContact CG1-CD1 3.49Å; V128-I403 VanDerWaalsContact CG1-CD1 3.49Å; V128-I403 VanDerWaalsContact O-CD1 3.23Å; V128-I403 WeakPolarHBondContact O-CD1 3.11Å; K131-I403 HydrophobicContact CB-CG2 4.25Å; K131-I403 HydrophobicContact CD-CG2 4.26Å; D132-I403 HydrophobicContact CB-CG1 4.12Å; L396-I403 HydrophobicContact CD1-CD1 3.85Å; L396-I403 HydrophobicContact CD1-CG1 4.5Å; L396-I403 HydrophobicContact CD2-CD1 3.38Å; L396-I403 HydrophobicContact CD2-CG1 4.27Å; L396-I403 HydrophobicContact CG-CD1 4.24Å; A401-I403 HydrophobicContact CB-CG1 4.24Å; A401-I403 PolarHBondContact O-N 3.16Å; I403-H405 PolarHBondContact O-N 2.98Å
404	T	58.3	Low	84.8	Confident	116 Å²	116	67.8 Å²	67.8	71%	0.712	40%	0.399	S	S	*	.			trans	-64.1	120.9	163.4	42.7	0	0	0	0	107.3	G406	T404-G406 PolarHBondContact O-N 3.12Å
405	H	54.4	Low	83.7	Confident	166 Å²	166	71.1 Å²	71.1	77%	0.769	42%	0.42	S	S	*	.			trans	-62.8	91.4	169.7	-71.7	-66.6	0	0	0	107.9	I403	I403-H405 PolarHBondContact O-N 2.98Å
406	G	39.9	Very low	82.3	Confident	130 Å²	130	77.4 Å²	77.4	100%	1.34	46%	0.458	S	S	*	.			trans	-78.8	0	166.7	0	0	0	0	0	111.9	T404	T404-G406 PolarHBondContact O-N 3.12Å

Retrieved 406 of 406 residues in 187.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).