A0A060X5S5_ONCMY Loading...

Peptidyl-prolyl cis-trans isomerase

PPIase that catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides and may therefore assist protein folding. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A060X5S5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 207 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	41.1	Very low	46.7	Very low	238 Å²	238	157.5 Å²	157.5	100%	1.172	82%	0.819	S	S	*	*				0	113.9	0	-86.1	174.3	-76.5	0	0	106.4
2	E	45.6	Very low	47.2	Very low	174 Å²	174	155.4 Å²	155.4	81%	0.813	81%	0.809	S	S	*	*			trans	-53.3	156.2	178.7	-84.2	177.4	133.1	0	0	112.7
3	P	50	Low	47.5	Very low	131 Å²	131	151.2 Å²	151.2	85%	0.851	81%	0.81	S	S	*	*				-130.6	146.3	118.5	26.5	-10.7	0	0	0	113.9
4	Q	43.7	Very low	47.7	Very low	163 Å²	163	151.8 Å²	151.8	76%	0.762	80%	0.803	S	S	*	*			trans	-65.4	142.7	-169.2	-66.8	165.6	-19.7	0	0	114.4	I6	Q4-I6 PolarHBondContact O-N 2.92Å
5	M	45.6	Very low	48	Very low	191 Å²	191	148.4 Å²	148.4	94%	0.941	81%	0.805	S	S	*	*			trans	-62.6	124.3	164.9	-77.6	-168	-66.2	0	0	110.7
6	I	50	Low	48	Very low	154 Å²	154	150.7 Å²	150.7	79%	0.79	81%	0.805	S	S	*	*			trans	-99.3	104.6	162.9	-64.6	173.1	0	0	0	106.9	Q4 C8	Q4-I6 PolarHBondContact O-N 2.92Å; I6-C8 PolarHBondContact O-N 3.17Å
7	S	44	Very low	48.1	Very low	87 Å²	87	148.1 Å²	148.1	61%	0.608	80%	0.801	S	S	*	*			trans	-82.5	105.6	171.3	-176	0	0	0	0	109	F9	S7-F9 PolarHBondContact O-N 3.48Å; S7-F9 WeakPolarHBondContact OG-CE2 3.39Å
8	C	45.8	Very low	48.1	Very low	110 Å²	110	148.9 Å²	148.9	74%	0.743	80%	0.799	S	S	*	*			trans	-82.9	94.7	171.1	-82.4	0	0	0	0	109.8	I6 V10	I6-C8 PolarHBondContact O-N 3.17Å; C8-V10 PolarHBondContact O-N 2.94Å
9	F	47.6	Very low	48.1	Very low	168 Å²	168	149.3 Å²	149.3	74%	0.737	80%	0.801	S	S	*	*			trans	-73.4	103.7	164.1	-80.4	-84.7	0	0	0	109.5	S7 F11	S7-F9 PolarHBondContact O-N 3.48Å; S7-F9 WeakPolarHBondContact OG-CE2 3.39Å; F9-F11 HydrophobicContact CB-CD2 4.46Å; F9-F11 HydrophobicContact CB-CE2 4.31Å; F9-F11 PolarHBondContact O-N 3.46Å
10	V	51.3	Low	48.2	Very low	125 Å²	125	147.8 Å²	147.8	76%	0.758	80%	0.797	S	S	*	*			trans	-78.7	103.1	167.8	178.4	0	0	0	0	107.8	C8 L12	C8-V10 PolarHBondContact O-N 2.94Å; V10-L12 PolarHBondContact O-N 3.1Å
11	F	49.3	Very low	48.2	Very low	191 Å²	191	143.6 Å²	143.6	84%	0.838	79%	0.788	S	S	*	*			trans	-75.1	107.9	169.1	-85.7	-89.4	0	0	0	109.3	F9 A13	F9-F11 HydrophobicContact CB-CD2 4.46Å; F9-F11 HydrophobicContact CB-CE2 4.31Å; F9-F11 PolarHBondContact O-N 3.46Å; F11-A13 PolarHBondContact O-N 3.42Å
12	L	51.9	Low	48.4	Very low	133 Å²	133	137.2 Å²	137.2	70%	0.696	77%	0.766	S	S	*	*			trans	-72.5	104	166.7	-124.6	97.6	0	0	0	108.3	V10 F14	V10-L12 PolarHBondContact O-N 3.1Å; L12-F14 HydrophobicContact CD2-CD2 4.03Å; L12-F14 HydrophobicContact CD2-CE2 3.46Å; L12-F14 VanDerWaalsContact CD2-CE2 3.46Å; L12-F14 HydrophobicContact CD2-CZ 4.12Å; L12-F14 PolarHBondContact O-N 2.82Å
13	A	52.3	Low	48.8	Very low	100 Å²	100	136.6 Å²	136.6	83%	0.826	77%	0.767	S	S	*	*			trans	-79.6	98.1	170.2	0	0	0	0	0	109.2	F11 A15	F11-A13 PolarHBondContact O-N 3.42Å; A13-A15 PolarHBondContact O-N 2.89Å
14	F	50	Low	49.4	Very low	160 Å²	160	141 Å²	141	70%	0.702	77%	0.766	S	S	*	*			trans	-73.9	104.9	163.7	-89.6	-87.2	0	0	0	108.6	L12 F16	L12-F14 HydrophobicContact CD2-CD2 4.03Å; L12-F14 HydrophobicContact CD2-CE2 3.46Å; L12-F14 VanDerWaalsContact CD2-CE2 3.46Å; L12-F14 HydrophobicContact CD2-CZ 4.12Å; L12-F14 PolarHBondContact O-N 2.82Å; F14-F16 PolarHBondContact O-N 2.97Å; F14-F16 VanDerWaalsContact O-N 3.14Å
15	A	51.3	Low	50.4	Low	101 Å²	101	135.6 Å²	135.6	84%	0.835	76%	0.755	S	S	*	*			trans	-71.3	101.8	168.1	0	0	0	0	0	108.9	A13 S17	A13-A15 PolarHBondContact O-N 2.89Å; A15-S17 PolarHBondContact O-N 3.5Å
16	F	48.7	Very low	51.8	Low	185 Å²	185	134.8 Å²	134.8	81%	0.811	74%	0.741	S	S	*	*			trans	-71.3	106.9	164	-89	-95.6	0	0	0	108.1	F14 E18	F14-F16 PolarHBondContact O-N 2.97Å; F14-F16 VanDerWaalsContact O-N 3.14Å; F16-E18 VanDerWaalsContact C-N 3.34Å; F16-E18 PolarHBondContact O-N 3.11Å
17	S	49.9	Very low	53.4	Low	106 Å²	106	131 Å²	131	74%	0.741	73%	0.726	S	S	*	*			trans	-70.3	93	164.4	170.7	0	0	0	0	107.8	A15 N19	A15-S17 PolarHBondContact O-N 3.5Å; S17-N19 PolarHBondContact O-N 3.21Å
18	E	47.9	Very low	55.7	Low	163 Å²	163	127.6 Å²	127.6	76%	0.762	70%	0.704	S	S	*	*			trans	-64.4	106.1	164.5	-68.7	-166	169.1	0	0	108.1	F16 V20	F16-E18 VanDerWaalsContact C-N 3.34Å; F16-E18 PolarHBondContact O-N 3.11Å; E18-V20 HydrophobicContact CB-CG2 4.29Å; E18-V20 PolarHBondContact O-N 2.98Å
19	N	48.3	Very low	58	Low	156 Å²	156	122.7 Å²	122.7	83%	0.834	67%	0.67	S	S	*	*			trans	-63.5	85.7	160.7	-97.5	-31.4	0	0	0	107.4	S17 G21	S17-N19 PolarHBondContact O-N 3.21Å; N19-G21 PolarHBondContact O-N 2.74Å
20	V	49.1	Very low	60.3	Low	120 Å²	120	119.5 Å²	119.5	73%	0.727	66%	0.656	S	S	*	*			trans	-71.1	81.4	164.5	-172.5	0	0	0	0	106.3	E18 C22	E18-V20 HydrophobicContact CB-CG2 4.29Å; E18-V20 PolarHBondContact O-N 2.98Å; V20-C22 PolarHBondContact O-N 3.25Å
21	G	48.2	Very low	62.5	Low	59 Å²	59	113.6 Å²	113.6	61%	0.608	62%	0.62	S	S	*	*			trans	-57.7	112.7	161.5	0	0	0	0	0	107	N19 I23	N19-G21 PolarHBondContact O-N 2.74Å; G21-I23 PolarHBondContact O-N 2.99Å
22	C	46.6	Very low	64.9	Low	105 Å²	105	105.7 Å²	105.7	71%	0.709	59%	0.588	S	S	*	*			trans	-54.3	107.9	171.3	179.1	0	0	0	0	107.6	V20 R24	V20-C22 PolarHBondContact O-N 3.25Å; C22-R24 PolarHBondContact O-N 2.88Å
23	I	53.7	Low	67.1	Low	160 Å²	160	101.5 Å²	101.5	82%	0.821	57%	0.565	S	S	*	*			trans	-65.8	92	165.5	-59	-177.6	0	0	0	104.8	G21 G25	G21-I23 PolarHBondContact O-N 2.99Å; I23-G25 PolarHBondContact O-N 3.28Å
24	R	61.3	Low	69.3	Low	223 Å²	223	98.7 Å²	98.7	84%	0.842	53%	0.534	S	S	*	.			trans	-59.2	111.2	165.3	-72.6	-174	-179.4	-169.7	0.9	105.4	C22 R26	C22-R24 PolarHBondContact O-N 2.88Å; R24-R26 PolarHBondContact O-N 2.84Å
25	G	66.5	Low	71.6	Confident	51 Å²	51	91.1 Å²	91.1	53%	0.526	50%	0.501	S	S	.	.			trans	-53.8	136.5	171.5	0	0	0	0	0	108.3	I23 V27	I23-G25 PolarHBondContact O-N 3.28Å; G25-V27 VanDerWaalsContact O-CG2 3.25Å; G25-V27 WeakPolarHBondContact O-CG2 3.28Å; G25-V27 PolarHBondContact O-N 3.42Å
26	R	73.3	Confident	73.9	Confident	173 Å²	173	87.6 Å²	87.6	65%	0.653	47%	0.467	S	S	*	.			trans	-56.1	128.5	175.1	-66.7	-178	-178.9	174.7	1.5	108.3	R24 I201 D203	R24-R26 PolarHBondContact O-N 2.84Å; R26-I201 HydrophobicContact CB-CB 4.37Å; R26-I201 HydrophobicContact CB-CG2 3.94Å; R26-D203 HydrophobicContact CB-CB 4.4Å; R26-D203 HydrophobicContact CG-CB 4.33Å
27	V	84	Confident	76.3	Confident	76 Å²	76	78.8 Å²	78.8	46%	0.461	43%	0.428	S	S	.	.			trans	-113.4	127.1	-179.5	-165.5	0	0	0	0	107.8	G25 D203 V204 W207	G25-V27 VanDerWaalsContact O-CG2 3.25Å; G25-V27 WeakPolarHBondContact O-CG2 3.28Å; G25-V27 PolarHBondContact O-N 3.42Å; V27-D203 PolarHBondContact N-OD1 3.25Å; V27-V204 PolarHBondContact O-N 3.48Å; V27-W207 HydrophobicContact CB-CB 4.22Å; V27-W207 HydrophobicContact CG1-CB 3.81Å; V27-W207 HydrophobicContact CG1-CG 4.01Å
28	G	91.7	Very high	78.6	Confident	15 Å²	15	75.2 Å²	75.2	16%	0.155	40%	0.4	C	S	.	.	S	Bend	trans	161.4	175.3	-179.5	0	0	0	0	0	113.3
29	P	94.5	Very high	81	Confident	6 Å²	6	67.5 Å²	67.5	4%	0.039	37%	0.365	C	S	.	.			trans	-69	148.3	176.1	30.7	-35.2	0	0	0	111.2	F54 V57 L119 W126 V202 W207	P29-F54 HydrophobicContact CB-CB 4.28Å; P29-F54 HydrophobicContact CB-CD1 3.6Å; P29-F54 HydrophobicContact CB-CD2 4.31Å; P29-F54 HydrophobicContact CB-CE1 3.91Å; P29-F54 HydrophobicContact CB-CG 3.81Å; P29-F54 HydrophobicContact CB-CZ 4.36Å; P29-F54 HydrophobicContact CG-CD1 3.72Å; P29-F54 HydrophobicContact CG-CD2 4.21Å; P29-F54 HydrophobicContact CG-CE1 3.47Å; P29-F54 VanDerWaalsContact CG-CE1 3.47Å; P29-F54 HydrophobicContact CG-CE2 3.96Å; P29-F54 HydrophobicContact CG-CG 4.07Å; P29-F54 HydrophobicContact CG-CZ 3.58Å; P29-V57 HydrophobicContact CB-CG2 4.46Å; P29-L119 HydrophobicContact CB-CD2 4.05Å; P29-L119 HydrophobicContact CG-CD2 4.38Å; P29-W126 HydrophobicContact CG-CH2 4.4Å; P29-V202 PolarHBondContact O-N 3.1Å; P29-W207 HydrophobicContact CB-CZ2 4.5Å; P29-W207 HydrophobicContact CG-CH2 4.24Å; P29-W207 HydrophobicContact CG-CZ2 4.47Å; P29-W207 HydrophobicContact CG-CZ3 4.35Å
30	K	96.4	Very high	83.4	Confident	102 Å²	102	60.7 Å²	60.7	44%	0.443	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130	174.3	-66.3	-177.7	-176.5	174.6	0	110.1	T32 F200 I201	K30-T32 PolarHBondContact O-N 3.22Å; K30-F200 CarbonylContact C-O 3.44Å; K30-F200 WeakPolarHBondContact CA-O 3.32Å; K30-I201 HydrophobicContact CG-CG1 3.93Å
31	V	98.2	Very high	85.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	114.3	165.9	173.1	0	0	0	0	107.8	E33 K34 L53 F54 L162 P199 F200 V202	V31-E33 WeakPolarHBondContact CG1-O 3.45Å; V31-K34 HydrophobicContact CG1-CG 4.13Å; V31-L53 WeakPolarHBondContact CA-O 3.42Å; V31-F54 HydrophobicContact CG2-CD1 4.24Å; V31-F54 HydrophobicContact CG2-CE1 3.89Å; V31-L162 HydrophobicContact CG1-CD1 4.48Å; V31-L162 HydrophobicContact CG2-CD2 4.48Å; V31-P199 WeakPolarHBondContact O-CA 3.46Å; V31-F200 HydrophobicContact CB-CD1 4.37Å; V31-F200 HydrophobicContact CB-CD2 4.46Å; V31-F200 HydrophobicContact CB-CE1 3.9Å; V31-F200 HydrophobicContact CB-CE2 4.01Å; V31-F200 HydrophobicContact CB-CZ 3.7Å; V31-F200 HydrophobicContact CG1-CE1 3.78Å; V31-F200 HydrophobicContact CG1-CE2 4.47Å; V31-F200 HydrophobicContact CG1-CZ 3.69Å; V31-F200 HydrophobicContact CG2-CE2 4.07Å; V31-F200 HydrophobicContact CG2-CZ 4.08Å; V31-F200 PolarHBondContact N-O 3.22Å; V31-F200 PolarHBondContact O-N 3.32Å; V31-V202 HydrophobicContact CG2-CG2 3.42Å; V31-V202 VanDerWaalsContact CG2-CG2 3.42Å
32	T	98.4	Very high	88.2	Confident	25 Å²	25	55.7 Å²	55.7	15%	0.153	29%	0.293	C	S	.	.			trans	-102	-25.2	178	60.1	0	0	0	0	111.8	K30 L53 G55 D56 P199	K30-T32 PolarHBondContact O-N 3.22Å; T32-L53 PolarHBondContact N-O 2.9Å; T32-L53 PolarHBondContact OG1-O 3.46Å; T32-G55 WeakPolarHBondContact OG1-CA 3.48Å; T32-G55 PolarHBondContact OG1-N 3.18Å; T32-D56 HydrophobicContact CG2-CB 4.27Å; T32-D56 WeakPolarHBondContact CG2-OD1 3.39Å; T32-P199 HydrophobicContact CG2-CB 4.46Å
33	E	98.4	Very high	90.6	Very high	46 Å²	46	53.7 Å²	53.7	22%	0.215	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.1	-174.7	-70.4	-66.4	179.3	0	0	109.9	V31 L53 V62 V66 K193	V31-E33 WeakPolarHBondContact CG1-O 3.45Å; E33-L53 HydrophobicContact CB-CB 4.06Å; E33-L53 HydrophobicContact CB-CD1 4.18Å; E33-L53 WeakPolarHBondContact O-CB 3.28Å; E33-L53 PolarHBondContact O-N 2.97Å; E33-V62 HydrophobicContact CB-CG1 4.1Å; E33-V62 HydrophobicContact CG-CG1 4.17Å; E33-V66 HydrophobicContact CB-CG2 4.28Å; E33-K193 IonicContact OE1-NZ 2.78Å; E33-K193 PolarHBondContact OE1-NZ 3.42Å; E33-K193 WeakPolarHBondContact OE2-CE 3.48Å; E33-K193 IonicContact OE2-NZ 2.74Å; E33-K193 PolarHBondContact OE2-NZ 3.17Å
34	K	98.8	Very high	92.7	Very high	41 Å²	41	52.5 Å²	52.5	18%	0.178	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.1	173.7	-75.6	178.7	-170.1	-174	0	111.2	V31 V50 I51 L162 K193 I194 V196	V31-K34 HydrophobicContact CG1-CG 4.13Å; K34-V50 HydrophobicContact CD-CG1 4.29Å; K34-I51 VanDerWaalsContact CA-O 3.25Å; K34-I51 WeakPolarHBondContact CA-O 3.44Å; K34-L162 HydrophobicContact CD-CD1 4.04Å; K34-L162 HydrophobicContact CG-CD1 4.06Å; K34-K193 CarbonylContact O-C 3.54Å; K34-K193 WeakPolarHBondContact O-CA 3.43Å; K34-I194 HydrophobicContact CB-CB 3.83Å; K34-I194 HydrophobicContact CB-CG2 4.48Å; K34-I194 HydrophobicContact CD-CG2 4.41Å; K34-I194 PolarHBondContact O-N 2.98Å; K34-V196 HydrophobicContact CB-CG2 3.94Å; K34-V196 HydrophobicContact CD-CG2 3.93Å; K34-V196 HydrophobicContact CG-CG2 3.58Å
35	V	98.9	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.9	170.9	161.3	0	0	0	0	109.3	F37 V50 I51 L53 F65 V66 A69 G192	V35-F37 HydrophobicContact CG1-CD1 4.2Å; V35-F37 HydrophobicContact CG1-CE1 3.67Å; V35-F37 HydrophobicContact CG1-CZ 4.03Å; V35-V50 WeakPolarHBondContact O-CA 3.23Å; V35-I51 PolarHBondContact N-O 2.81Å; V35-I51 PolarHBondContact O-N 3.12Å; V35-L53 HydrophobicContact CB-CD1 4.24Å; V35-L53 HydrophobicContact CG2-CD1 3.72Å; V35-F65 HydrophobicContact CB-CD1 4.4Å; V35-F65 HydrophobicContact CB-CE1 4.07Å; V35-F65 HydrophobicContact CG1-CD1 4.45Å; V35-F65 HydrophobicContact CG1-CE1 3.84Å; V35-F65 HydrophobicContact CG2-CD1 4.2Å; V35-F65 HydrophobicContact CG2-CE1 4.36Å; V35-V66 HydrophobicContact CG2-CG2 4.02Å; V35-A69 HydrophobicContact CB-CB 4.28Å; V35-A69 HydrophobicContact CG1-CB 3.45Å; V35-A69 VanDerWaalsContact CG1-CB 3.45Å; V35-A69 HydrophobicContact CG2-CB 3.76Å; V35-G192 CarbonylContact C-O 3.57Å; V35-G192 VanDerWaalsContact CA-O 3.24Å; V35-G192 WeakPolarHBondContact CA-O 3.39Å
36	F	98.9	Very high	96	Very high	27 Å²	27	49.8 Å²	49.8	12%	0.118	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.3	169.8	74.7	-87.5	0	0	0	112.2	D38 R48 I49 V50 S191 G192 I194	F36-D38 WeakPolarHBondContact CE2-OD2 3.04Å; F36-R48 HydrophobicContact CB-CG 4.11Å; F36-I49 CarbonylContact C-O 3.59Å; F36-I49 WeakPolarHBondContact CA-O 3.24Å; F36-V50 HydrophobicContact CB-CG2 4.5Å; F36-S191 VanDerWaalsContact O-CA 3.27Å; F36-S191 WeakPolarHBondContact O-CA 3.39Å; F36-G192 VanDerWaalsContact CD1-O 3.31Å; F36-G192 WeakPolarHBondContact CD1-O 3.25Å; F36-G192 VanDerWaalsContact CE1-CA 3.45Å; F36-G192 PolarHBondContact N-O 2.9Å; F36-G192 PolarHBondContact O-N 3.41Å; F36-I194 HydrophobicContact CB-CD1 3.87Å; F36-I194 HydrophobicContact CB-CG1 4.32Å; F36-I194 HydrophobicContact CD1-CD1 4.18Å; F36-I194 HydrophobicContact CD1-CG1 3.77Å; F36-I194 HydrophobicContact CG-CD1 4.4Å; F36-I194 HydrophobicContact CG-CG1 4.46Å
37	F	98.9	Very high	97.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.4	166.8	-60	-35.9	0	0	0	109.6	V35 I39 R48 I49 I51 F65 A69 Y77 F141 I188 N190	V35-F37 HydrophobicContact CG1-CD1 4.2Å; V35-F37 HydrophobicContact CG1-CE1 3.67Å; V35-F37 HydrophobicContact CG1-CZ 4.03Å; F37-I39 HydrophobicContact CB-CD1 3.72Å; F37-I39 HydrophobicContact CB-CG1 4.46Å; F37-R48 CarbonylContact O-C 3.39Å; F37-R48 VanDerWaalsContact O-CA 3.29Å; F37-R48 WeakPolarHBondContact O-CA 3.21Å; F37-I49 HydrophobicContact CB-CB 4.39Å; F37-I49 PolarHBondContact N-O 3.37Å; F37-I49 PolarHBondContact O-N 2.92Å; F37-I51 HydrophobicContact CD2-CD1 3.9Å; F37-I51 HydrophobicContact CE2-CD1 3.5Å; F37-I51 HydrophobicContact CZ-CD1 4.2Å; F37-F65 AromaticContact CE2-CZ 3.82Å; F37-F65 HydrophobicContact CE2-CZ 3.82Å; F37-F65 AromaticContact CZ-CE1 3.94Å; F37-F65 HydrophobicContact CZ-CE1 3.94Å; F37-F65 HydrophobicContact CZ-CE2 4.27Å; F37-F65 AromaticContact CZ-CZ 3.44Å; F37-F65 HydrophobicContact CZ-CZ 3.44Å; F37-F65 VanDerWaalsContact CZ-CZ 3.44Å; F37-A69 HydrophobicContact CE1-CB 4.29Å; F37-Y77 AromaticContact CE1-CD2 3.85Å; F37-Y77 HydrophobicContact CE1-CD2 3.85Å; F37-Y77 HydrophobicContact CE1-CG 4.4Å; F37-Y77 AromaticContact CZ-CD2 3.83Å; F37-Y77 HydrophobicContact CZ-CD2 3.83Å; F37-Y77 HydrophobicContact CZ-CE2 4.32Å; F37-Y77 HydrophobicContact CZ-CG 4.44Å; F37-F141 HydrophobicContact CD2-CZ 4.39Å; F37-F141 HydrophobicContact CE2-CE1 4.27Å; F37-F141 AromaticContact CE2-CE2 3.91Å; F37-F141 HydrophobicContact CE2-CE2 3.91Å; F37-F141 AromaticContact CE2-CZ 3.47Å; F37-F141 HydrophobicContact CE2-CZ 3.47Å; F37-F141 VanDerWaalsContact CE2-CZ 3.47Å; F37-F141 HydrophobicContact CZ-CE1 4.29Å; F37-F141 AromaticContact CZ-CZ 3.94Å; F37-F141 HydrophobicContact CZ-CZ 3.94Å; F37-I188 HydrophobicContact CB-CG2 4Å; F37-I188 HydrophobicContact CD1-CD1 4.34Å; F37-I188 HydrophobicContact CD1-CG2 3.69Å; F37-I188 HydrophobicContact CD2-CD1 4.2Å; F37-I188 HydrophobicContact CE1-CD1 4.43Å; F37-I188 HydrophobicContact CE1-CG2 4.42Å; F37-I188 HydrophobicContact CE2-CD1 4.26Å; F37-I188 HydrophobicContact CG-CD1 4.25Å; F37-I188 HydrophobicContact CG-CG1 4.42Å; F37-I188 HydrophobicContact CG-CG2 4Å; F37-I188 HydrophobicContact CZ-CD1 4.38Å; F37-N190 WeakPolarHBondContact CA-O 3.38Å
38	D	98.9	Very high	97.9	Very high	31 Å²	31	44.9 Å²	44.9	17%	0.166	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.5	165.2	-62	-39.2	0	0	0	108	F36 R48 I188 V189 N190	F36-D38 WeakPolarHBondContact CE2-OD2 3.04Å; D38-R48 VanDerWaalsContact CG-NH2 3.28Å; D38-R48 IonicContact OD1-CZ 3.6Å; D38-R48 IonicContact OD1-NE 2.83Å; D38-R48 PolarHBondContact OD1-NE 3.26Å; D38-R48 IonicContact OD1-NH2 3.81Å; D38-R48 PolarHBondContact OD1-NH2 3.41Å; D38-R48 IonicContact OD2-CZ 2.84Å; D38-R48 IonicContact OD2-NE 3.21Å; D38-R48 IonicContact OD2-NH2 3.94Å; D38-R48 PolarHBondContact OD2-NH2 3.03Å; D38-I188 CarbonylContact O-C 3.36Å; D38-V189 HydrophobicContact CB-CG2 4.05Å; D38-V189 VanDerWaalsContact O-CG2 3.27Å; D38-V189 WeakPolarHBondContact O-CG2 3.47Å; D38-V189 PolarHBondContact O-N 3.29Å; D38-N190 HydrophobicContact CB-CB 3.95Å; D38-N190 PolarHBondContact N-O 3.32Å; D38-N190 PolarHBondContact O-N 3.46Å; D38-N190 WeakPolarHBondContact OD2-CB 3.4Å; D38-N190 PolarHBondContact OD2-ND2 2.8Å
39	I	98.9	Very high	98.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138	-170.1	-55.2	-54	0	0	0	110.8	F37 V41 V46 G47 I49 F82 V167 I171 V187 I188	F37-I39 HydrophobicContact CB-CD1 3.72Å; F37-I39 HydrophobicContact CB-CG1 4.46Å; I39-V41 HydrophobicContact CG2-CG2 4.41Å; I39-V46 HydrophobicContact CB-CG2 3.79Å; I39-V46 HydrophobicContact CG2-CG2 3.53Å; I39-V46 WeakPolarHBondContact O-CG2 3.34Å; I39-V46 PolarHBondContact O-N 2.73Å; I39-G47 PolarHBondContact N-O 2.96Å; I39-I49 HydrophobicContact CD1-CD1 4.35Å; I39-I49 HydrophobicContact CG1-CD1 3.89Å; I39-I49 HydrophobicContact CG1-CG1 4.25Å; I39-F82 HydrophobicContact CD1-CE2 3.86Å; I39-V167 HydrophobicContact CB-CG1 3.84Å; I39-V167 HydrophobicContact CG1-CG1 3.84Å; I39-V167 HydrophobicContact CG2-CG1 4.24Å; I39-I171 HydrophobicContact CG1-CD1 4.47Å; I39-I171 HydrophobicContact CG2-CD1 3.96Å; I39-I171 HydrophobicContact CG2-CG1 4.24Å; I39-V187 WeakPolarHBondContact CA-O 3.5Å; I39-I188 HydrophobicContact CD1-CB 4.37Å; I39-I188 HydrophobicContact CD1-CG1 3.83Å
40	T	98.8	Very high	98.5	Very high	12 Å²	12	44 Å²	44	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	150.6	159.9	61.1	0	0	0	0	111.8	H44 E45 C186 V187 V189	T40-H44 CarbonylContact C-O 3.51Å; T40-H44 WeakPolarHBondContact CA-O 3.34Å; T40-H44 WeakPolarHBondContact CB-O 3.43Å; T40-E45 HydrophobicContact CG2-CG 4.05Å; T40-C186 WeakPolarHBondContact O-CA 3.43Å; T40-V187 PolarHBondContact N-O 3.38Å; T40-V187 PolarHBondContact O-N 3.33Å; T40-V189 HydrophobicContact CG2-CB 4.3Å; T40-V189 HydrophobicContact CG2-CG1 3.5Å; T40-V189 VanDerWaalsContact CG2-CG1 3.5Å; T40-V189 HydrophobicContact CG2-CG2 3.86Å; T40-V189 VanDerWaalsContact OG1-CG1 3.24Å; T40-V189 WeakPolarHBondContact OG1-CG1 3.32Å
41	V	98.7	Very high	98.6	Very high	13 Å²	13	39.2 Å²	39.2	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126	168.9	177.3	0	0	0	0	106.9	I39 G43 H44 V46 T170 Q174 T184 E185	I39-V41 HydrophobicContact CG2-CG2 4.41Å; V41-G43 PolarHBondContact O-N 2.94Å; V41-H44 PolarHBondContact N-O 3.04Å; V41-H44 PolarHBondContact O-N 3.28Å; V41-V46 HydrophobicContact CB-CG1 3.84Å; V41-V46 HydrophobicContact CG2-CB 4.45Å; V41-V46 HydrophobicContact CG2-CG1 3.86Å; V41-V46 HydrophobicContact CG2-CG2 3.79Å; V41-T170 HydrophobicContact CG2-CG2 4.36Å; V41-Q174 HydrophobicContact CG1-CG 4.36Å; V41-T184 HydrophobicContact CG1-CG2 3.56Å; V41-E185 WeakPolarHBondContact CA-O 3.43Å
42	A	97.4	Very high	98.6	Very high	62 Å²	62	39.2 Å²	39.2	51%	0.512	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	31.1	-170.5	0	0	0	0	0	113.5	H44 T184 E185	A42-H44 PolarHBondContact O-CD2 2.61Å; A42-H44 PolarHBondContact O-N 2.9Å; A42-T184 HydrophobicContact CB-CG2 3.56Å; A42-E185 PolarHBondContact N-O 3.07Å
43	G	97.8	Very high	98.6	Very high	62 Å²	62	38 Å²	38	64%	0.639	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	-0.2	-176.4	0	0	0	0	0	115.5	V41	V41-G43 PolarHBondContact O-N 2.94Å
44	H	98.3	Very high	98.6	Very high	135 Å²	135	35.8 Å²	35.8	63%	0.625	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.9	174.6	-61.6	-73.5	0	0	0	110.9	T40 V41 A42 V46	T40-H44 CarbonylContact C-O 3.51Å; T40-H44 WeakPolarHBondContact CA-O 3.34Å; T40-H44 WeakPolarHBondContact CB-O 3.43Å; V41-H44 PolarHBondContact N-O 3.04Å; V41-H44 PolarHBondContact O-N 3.28Å; A42-H44 PolarHBondContact O-CD2 2.61Å; A42-H44 PolarHBondContact O-N 2.9Å; H44-V46 PolarHBondContact O-N 3.19Å
45	E	98.4	Very high	98.6	Very high	170 Å²	170	34.5 Å²	34.5	79%	0.794	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63	125	175.4	-66	-175.7	168.4	0	0	110.7	T40	T40-E45 HydrophobicContact CG2-CG 4.05Å
46	V	98.4	Very high	98.5	Very high	48 Å²	48	39.6 Å²	39.6	29%	0.291	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-8.2	179.3	-66.2	0	0	0	0	113	I39 V41 H44 V167 T170	I39-V46 HydrophobicContact CB-CG2 3.79Å; I39-V46 HydrophobicContact CG2-CG2 3.53Å; I39-V46 WeakPolarHBondContact O-CG2 3.34Å; I39-V46 PolarHBondContact O-N 2.73Å; V41-V46 HydrophobicContact CB-CG1 3.84Å; V41-V46 HydrophobicContact CG2-CB 4.45Å; V41-V46 HydrophobicContact CG2-CG1 3.86Å; V41-V46 HydrophobicContact CG2-CG2 3.79Å; H44-V46 PolarHBondContact O-N 3.19Å; V46-V167 HydrophobicContact CG2-CG1 3.83Å; V46-T170 HydrophobicContact CB-CG2 4.31Å; V46-T170 HydrophobicContact CG1-CG2 4.11Å
47	G	98.7	Very high	98.5	Very high	33 Å²	33	39.7 Å²	39.7	34%	0.34	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	130.6	-169	171.5	0	0	0	0	0	113.8	I39	I39-G47 PolarHBondContact N-O 2.96Å
48	R	98.8	Very high	98.5	Very high	113 Å²	113	39.7 Å²	39.7	43%	0.426	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.2	-178	176	171.1	-71.7	-176.3	-1.6	111.2	F36 F37 D38 V50 G164	F36-R48 HydrophobicContact CB-CG 4.11Å; F37-R48 CarbonylContact O-C 3.39Å; F37-R48 VanDerWaalsContact O-CA 3.29Å; F37-R48 WeakPolarHBondContact O-CA 3.21Å; D38-R48 VanDerWaalsContact CG-NH2 3.28Å; D38-R48 IonicContact OD1-CZ 3.6Å; D38-R48 IonicContact OD1-NE 2.83Å; D38-R48 PolarHBondContact OD1-NE 3.26Å; D38-R48 IonicContact OD1-NH2 3.81Å; D38-R48 PolarHBondContact OD1-NH2 3.41Å; D38-R48 IonicContact OD2-CZ 2.84Å; D38-R48 IonicContact OD2-NE 3.21Å; D38-R48 IonicContact OD2-NH2 3.94Å; D38-R48 PolarHBondContact OD2-NH2 3.03Å; R48-V50 HydrophobicContact CG-CG2 4.09Å; R48-G164 WeakPolarHBondContact O-CA 3.28Å
49	I	98.9	Very high	98.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.7	165.8	-61.3	171.8	0	0	0	107.9	F36 F37 I39 I51 I161 V167 V168 I171	F36-I49 CarbonylContact C-O 3.59Å; F36-I49 WeakPolarHBondContact CA-O 3.24Å; F37-I49 HydrophobicContact CB-CB 4.39Å; F37-I49 PolarHBondContact N-O 3.37Å; F37-I49 PolarHBondContact O-N 2.92Å; I39-I49 HydrophobicContact CD1-CD1 4.35Å; I39-I49 HydrophobicContact CG1-CD1 3.89Å; I39-I49 HydrophobicContact CG1-CG1 4.25Å; I49-I51 HydrophobicContact CG2-CD1 4.49Å; I49-I51 HydrophobicContact CG2-CG1 3.96Å; I49-I161 HydrophobicContact CG2-CD1 3.3Å; I49-I161 HydrophobicContact CG2-CG2 4.42Å; I49-V167 HydrophobicContact CD1-CB 4.4Å; I49-V167 HydrophobicContact CD1-CG1 4.15Å; I49-V167 HydrophobicContact CG1-CB 3.88Å; I49-V167 HydrophobicContact CG1-CG1 3.94Å; I49-V168 HydrophobicContact CD1-CG2 3.76Å; I49-V168 HydrophobicContact CG1-CG2 4.21Å; I49-I171 HydrophobicContact CD1-CD1 4.38Å
50	V	98.9	Very high	98.5	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.9	170.5	-178.1	0	0	0	0	109.2	K34 V35 F36 R48 L162 E163 I194	K34-V50 HydrophobicContact CD-CG1 4.29Å; V35-V50 WeakPolarHBondContact O-CA 3.23Å; F36-V50 HydrophobicContact CB-CG2 4.5Å; R48-V50 HydrophobicContact CG-CG2 4.09Å; V50-L162 HydrophobicContact CG1-CB 4.48Å; V50-L162 HydrophobicContact CG1-CD1 4.48Å; V50-L162 PolarHBondContact O-N 2.97Å; V50-E163 HydrophobicContact CB-CB 3.93Å; V50-E163 HydrophobicContact CB-CG 4.33Å; V50-E163 HydrophobicContact CG2-CB 4.05Å; V50-E163 PolarHBondContact N-O 3.31Å; V50-E163 PolarHBondContact O-N 3.04Å; V50-I194 HydrophobicContact CG1-CD1 4.08Å; V50-I194 HydrophobicContact CG2-CD1 4.14Å
51	I	98.9	Very high	98.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.4	-176.5	-51.8	172.9	0	0	0	108.4	K34 V35 F37 I49 L53 F65 V127 I161	K34-I51 VanDerWaalsContact CA-O 3.25Å; K34-I51 WeakPolarHBondContact CA-O 3.44Å; V35-I51 PolarHBondContact N-O 2.81Å; V35-I51 PolarHBondContact O-N 3.12Å; F37-I51 HydrophobicContact CD2-CD1 3.9Å; F37-I51 HydrophobicContact CE2-CD1 3.5Å; F37-I51 HydrophobicContact CZ-CD1 4.2Å; I49-I51 HydrophobicContact CG2-CD1 4.49Å; I49-I51 HydrophobicContact CG2-CG1 3.96Å; I51-L53 HydrophobicContact CG2-CD2 3.67Å; I51-L53 HydrophobicContact CG2-CG 4.42Å; I51-F65 HydrophobicContact CD1-CE1 3.94Å; I51-F65 HydrophobicContact CD1-CZ 3.84Å; I51-V127 HydrophobicContact CD1-CG2 4.46Å; I51-V127 HydrophobicContact CG2-CB 4.35Å; I51-V127 HydrophobicContact CG2-CG2 3.71Å; I51-I161 HydrophobicContact CD1-CD1 4.44Å; I51-I161 HydrophobicContact CG1-CD1 3.76Å
52	G	98.7	Very high	98.5	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.3	165.5	0	0	0	0	0	110.1	G159 K160	G52-G159 CarbonylContact O-C 3.57Å; G52-G159 WeakPolarHBondContact O-CA 3.48Å; G52-K160 PolarHBondContact N-O 3.38Å; G52-K160 PolarHBondContact O-N 3.1Å
53	L	98.8	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.5	-173.1	-57.3	173.2	0	0	0	110.9	V31 T32 E33 V35 I51 G55 V62 F65 V66 F158	V31-L53 WeakPolarHBondContact CA-O 3.42Å; T32-L53 PolarHBondContact N-O 2.9Å; T32-L53 PolarHBondContact OG1-O 3.46Å; E33-L53 HydrophobicContact CB-CB 4.06Å; E33-L53 HydrophobicContact CB-CD1 4.18Å; E33-L53 WeakPolarHBondContact O-CB 3.28Å; E33-L53 PolarHBondContact O-N 2.97Å; V35-L53 HydrophobicContact CB-CD1 4.24Å; V35-L53 HydrophobicContact CG2-CD1 3.72Å; I51-L53 HydrophobicContact CG2-CD2 3.67Å; I51-L53 HydrophobicContact CG2-CG 4.42Å; L53-G55 PolarHBondContact O-N 3.19Å; L53-V62 HydrophobicContact CB-CB 4.49Å; L53-V62 HydrophobicContact CB-CG1 3.8Å; L53-V62 HydrophobicContact CB-CG2 3.92Å; L53-V62 HydrophobicContact CD1-CG1 4.12Å; L53-F65 HydrophobicContact CD1-CD1 3.97Å; L53-F65 HydrophobicContact CD2-CD1 3.83Å; L53-F65 HydrophobicContact CD2-CE1 4.13Å; L53-V66 HydrophobicContact CD1-CG2 3.48Å; L53-V66 VanDerWaalsContact CD1-CG2 3.48Å; L53-F158 HydrophobicContact CD2-CD2 3.73Å; L53-F158 HydrophobicContact CD2-CE2 3.77Å
54	F	98.4	Very high	98.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.			trans	-99.7	63.3	-169.6	-50.1	-48.7	0	0	0	112.3	P29 V31 D56 V57 V58 L119 W126 F158 K160	P29-F54 HydrophobicContact CB-CB 4.28Å; P29-F54 HydrophobicContact CB-CD1 3.6Å; P29-F54 HydrophobicContact CB-CD2 4.31Å; P29-F54 HydrophobicContact CB-CE1 3.91Å; P29-F54 HydrophobicContact CB-CG 3.81Å; P29-F54 HydrophobicContact CB-CZ 4.36Å; P29-F54 HydrophobicContact CG-CD1 3.72Å; P29-F54 HydrophobicContact CG-CD2 4.21Å; P29-F54 HydrophobicContact CG-CE1 3.47Å; P29-F54 VanDerWaalsContact CG-CE1 3.47Å; P29-F54 HydrophobicContact CG-CE2 3.96Å; P29-F54 HydrophobicContact CG-CG 4.07Å; P29-F54 HydrophobicContact CG-CZ 3.58Å; V31-F54 HydrophobicContact CG2-CD1 4.24Å; V31-F54 HydrophobicContact CG2-CE1 3.89Å; F54-D56 PolarHBondContact O-N 3.48Å; F54-V57 HydrophobicContact CB-CB 4.38Å; F54-V57 HydrophobicContact CB-CG2 4.37Å; F54-V57 PolarHBondContact O-N 2.96Å; F54-V58 PolarHBondContact O-N 2.79Å; F54-L119 HydrophobicContact CB-CD1 4Å; F54-L119 HydrophobicContact CD2-CD1 3.24Å; F54-L119 HydrophobicContact CE2-CD1 3.96Å; F54-L119 HydrophobicContact CG-CD1 3.94Å; F54-W126 HydrophobicContact CE2-CE3 4.03Å; F54-W126 HydrophobicContact CE2-CH2 4.47Å; F54-W126 AromaticContact CE2-CZ3 3.55Å; F54-W126 HydrophobicContact CE2-CZ3 3.55Å; F54-W126 AromaticContact CZ-CZ3 3.99Å; F54-W126 HydrophobicContact CZ-CZ3 3.99Å; F54-F158 WeakPolarHBondContact CD2-O 3.31Å; F54-F158 PolarHBondContact N-O 3.34Å; F54-K160 HydrophobicContact CE2-CB 4.36Å; F54-K160 HydrophobicContact CZ-CB 3.72Å
55	G	98.3	Very high	98.6	Very high	14 Å²	14	35.7 Å²	35.7	14%	0.144	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.6	-172.3	0	0	0	0	0	114.7	T32 L53 V57 P59	T32-G55 WeakPolarHBondContact OG1-CA 3.48Å; T32-G55 PolarHBondContact OG1-N 3.18Å; L53-G55 PolarHBondContact O-N 3.19Å; G55-V57 VanDerWaalsContact C-N 3.26Å; G55-V57 PolarHBondContact O-N 2.97Å; G55-P59 WeakPolarHBondContact O-CA 3.38Å; G55-P59 VanDerWaalsContact O-CB 3.3Å; G55-P59 WeakPolarHBondContact O-CB 3.27Å; G55-P59 VanDerWaalsContact O-CD 3.29Å; G55-P59 WeakPolarHBondContact O-CD 3.2Å
56	D	97.6	Very high	98.7	Very high	107 Å²	107	28.2 Å²	28.2	57%	0.572	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-22.9	172	-73.6	-14.1	0	0	0	112.6	T32 F54	T32-D56 HydrophobicContact CG2-CB 4.27Å; T32-D56 WeakPolarHBondContact CG2-OD1 3.39Å; F54-D56 PolarHBondContact O-N 3.48Å
57	V	97.9	Very high	98.7	Very high	28 Å²	28	26.1 Å²	26.1	17%	0.17	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-40.9	-174.6	-171.8	0	0	0	0	111.7	P29 F54 G55 N116 K118 L119	P29-V57 HydrophobicContact CB-CG2 4.46Å; F54-V57 HydrophobicContact CB-CB 4.38Å; F54-V57 HydrophobicContact CB-CG2 4.37Å; F54-V57 PolarHBondContact O-N 2.96Å; G55-V57 VanDerWaalsContact C-N 3.26Å; G55-V57 PolarHBondContact O-N 2.97Å; V57-N116 PolarHBondContact O-ND2 2.84Å; V57-K118 HydrophobicContact CG1-CB 4.13Å; V57-K118 HydrophobicContact CG1-CD 4.03Å; V57-L119 HydrophobicContact CB-CD1 4.42Å; V57-L119 HydrophobicContact CB-CD2 4.39Å; V57-L119 HydrophobicContact CG1-CD1 4.25Å; V57-L119 HydrophobicContact CG1-CD2 3.86Å; V57-L119 HydrophobicContact CG1-CG 3.91Å; V57-L119 HydrophobicContact CG2-CD2 4.24Å
58	V	98.6	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.			trans	-137.2	63.7	-176.4	-76.5	0	0	0	0	110.9	F54 L60 T61 V62 E115 N116 V156 F158	F54-V58 PolarHBondContact O-N 2.79Å; V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 2.96Å; V58-T61 PolarHBondContact O-N 2.94Å; V58-V62 HydrophobicContact CG2-CG2 4.15Å; V58-V62 WeakPolarHBondContact O-CB 3.38Å; V58-V62 WeakPolarHBondContact O-CG2 3.4Å; V58-V62 PolarHBondContact O-N 3.16Å; V58-E115 VanDerWaalsContact C-CD 3.42Å; V58-E115 VanDerWaalsContact C-OE1 3.26Å; V58-E115 WeakPolarHBondContact CA-OE1 3.42Å; V58-E115 WeakPolarHBondContact CA-OE2 3.49Å; V58-E115 HydrophobicContact CB-CG 4.44Å; V58-E115 VanDerWaalsContact CB-OE2 3.27Å; V58-E115 WeakPolarHBondContact CB-OE2 3.22Å; V58-E115 HydrophobicContact CG1-CB 4.31Å; V58-E115 HydrophobicContact CG1-CG 4.22Å; V58-N116 WeakPolarHBondContact CG1-ND2 3.4Å; V58-V156 HydrophobicContact CG1-CG1 3.88Å; V58-F158 HydrophobicContact CG2-CB 3.6Å
59	P	98.8	Very high	98.7	Very high	57 Å²	57	19.1 Å²	19.1	37%	0.37	11%	0.11	S	C	.	.	H	α-helix	trans	-57.5	-38.3	-175.6	21	-33.4	0	0	0	114.3	G55 N63 E115	G55-P59 WeakPolarHBondContact O-CA 3.38Å; G55-P59 VanDerWaalsContact O-CB 3.3Å; G55-P59 WeakPolarHBondContact O-CB 3.27Å; G55-P59 VanDerWaalsContact O-CD 3.29Å; G55-P59 WeakPolarHBondContact O-CD 3.2Å; P59-N63 VanDerWaalsContact O-CB 3.22Å; P59-N63 WeakPolarHBondContact O-CB 3.45Å; P59-N63 PolarHBondContact O-N 2.87Å; P59-N63 PolarHBondContact O-ND2 3.33Å; P59-N63 VanDerWaalsContact O-ND2 3.09Å; P59-E115 WeakPolarHBondContact CD-OE1 3.33Å; P59-E115 VanDerWaalsContact CG-OE1 3.32Å; P59-E115 WeakPolarHBondContact CG-OE1 3.31Å
60	L	98.8	Very high	98.7	Very high	90 Å²	90	21.8 Å²	21.8	47%	0.471	13%	0.127	S	C	.	.	H	α-helix	trans	-68.1	-45	-179.7	-61.7	176.1	0	0	0	111	V58 V62 N63 N64 Y108 E115	V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 2.96Å; L60-V62 VanDerWaalsContact C-N 3.35Å; L60-V62 PolarHBondContact O-N 3.36Å; L60-N63 PolarHBondContact O-N 3.37Å; L60-N64 WeakPolarHBondContact O-CB 3.37Å; L60-N64 PolarHBondContact O-N 2.91Å; L60-Y108 HydrophobicContact CB-CE2 4.38Å; L60-Y108 PolarHBondContact O-OH 3.21Å; L60-E115 PolarHBondContact N-OE1 2.75Å; L60-E115 PolarHBondContact N-OE2 2.84Å
61	T	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.5	-43.5	178.8	-50.4	0	0	0	0	110.8	V58 N64 F65 F112 E115 M129 V156 F158	V58-T61 PolarHBondContact O-N 2.94Å; T61-N64 PolarHBondContact O-N 3.02Å; T61-F65 PolarHBondContact O-N 2.98Å; T61-F112 HydrophobicContact CG2-CZ 4.41Å; T61-E115 WeakPolarHBondContact CB-OE2 3.49Å; T61-E115 PolarHBondContact N-OE2 2.87Å; T61-E115 PolarHBondContact OG1-OE2 2.98Å; T61-M129 HydrophobicContact CG2-CG 3.6Å; T61-M129 HydrophobicContact CG2-SD 3.81Å; T61-V156 HydrophobicContact CG2-CG1 4.22Å; T61-F158 HydrophobicContact CG2-CB 3.67Å; T61-F158 HydrophobicContact CG2-CD1 3.67Å; T61-F158 HydrophobicContact CG2-CD2 4.48Å; T61-F158 HydrophobicContact CG2-CE1 4.43Å; T61-F158 HydrophobicContact CG2-CG 3.7Å
62	V	98.9	Very high	98.7	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-45.2	177.4	168.8	0	0	0	0	111.6	E33 L53 V58 L60 N64 F65 V66 F158	E33-V62 HydrophobicContact CB-CG1 4.1Å; E33-V62 HydrophobicContact CG-CG1 4.17Å; L53-V62 HydrophobicContact CB-CB 4.49Å; L53-V62 HydrophobicContact CB-CG1 3.8Å; L53-V62 HydrophobicContact CB-CG2 3.92Å; L53-V62 HydrophobicContact CD1-CG1 4.12Å; V58-V62 HydrophobicContact CG2-CG2 4.15Å; V58-V62 WeakPolarHBondContact O-CB 3.38Å; V58-V62 WeakPolarHBondContact O-CG2 3.4Å; V58-V62 PolarHBondContact O-N 3.16Å; L60-V62 VanDerWaalsContact C-N 3.35Å; L60-V62 PolarHBondContact O-N 3.36Å; V62-N64 VanDerWaalsContact C-N 3.31Å; V62-N64 PolarHBondContact O-N 2.92Å; V62-F65 PolarHBondContact O-N 3.39Å; V62-V66 HydrophobicContact CG1-CG2 4.16Å; V62-V66 WeakPolarHBondContact O-CB 3.16Å; V62-V66 VanDerWaalsContact O-CG2 3.3Å; V62-V66 WeakPolarHBondContact O-CG2 3.43Å; V62-V66 PolarHBondContact O-N 3.22Å; V62-F158 HydrophobicContact CG2-CB 4.47Å
63	N	98.9	Very high	98.6	Very high	85 Å²	85	33.9 Å²	33.9	46%	0.455	19%	0.189	S	C	.	.	H	α-helix	trans	-60.3	-41.7	177.7	-75.1	-23.1	0	0	0	111.9	P59 L60 A67 Y108	P59-N63 VanDerWaalsContact O-CB 3.22Å; P59-N63 WeakPolarHBondContact O-CB 3.45Å; P59-N63 PolarHBondContact O-N 2.87Å; P59-N63 PolarHBondContact O-ND2 3.33Å; P59-N63 VanDerWaalsContact O-ND2 3.09Å; L60-N63 PolarHBondContact O-N 3.37Å; N63-A67 VanDerWaalsContact O-CB 3.31Å; N63-A67 WeakPolarHBondContact O-CB 3.12Å; N63-A67 PolarHBondContact O-N 3.35Å; N63-Y108 WeakPolarHBondContact CB-OH 3.31Å
64	N	98.9	Very high	98.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.1	-52.7	172.4	175.9	61.5	0	0	0	111.6	L60 T61 V62 V66 A67 L68 S106 I107 Y108 G138	L60-N64 WeakPolarHBondContact O-CB 3.37Å; L60-N64 PolarHBondContact O-N 2.91Å; T61-N64 PolarHBondContact O-N 3.02Å; V62-N64 VanDerWaalsContact C-N 3.31Å; V62-N64 PolarHBondContact O-N 2.92Å; N64-V66 PolarHBondContact O-N 3.38Å; N64-A67 PolarHBondContact O-N 2.83Å; N64-L68 WeakPolarHBondContact O-CB 3.28Å; N64-L68 VanDerWaalsContact O-CG 3.28Å; N64-L68 WeakPolarHBondContact O-CG 3.39Å; N64-L68 PolarHBondContact O-N 2.86Å; N64-S106 WeakPolarHBondContact OD1-CA 3.41Å; N64-S106 VanDerWaalsContact OD1-CB 3.26Å; N64-S106 WeakPolarHBondContact OD1-CB 3.25Å; N64-I107 HydrophobicContact CB-CG1 4.23Å; N64-I107 PolarHBondContact OD1-N 3.46Å; N64-Y108 HydrophobicContact CB-CE2 3.86Å; N64-G138 PolarHBondContact ND2-O 2.79Å
65	F	98.9	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-41.2	-176.5	-167.8	-96.3	0	0	0	112.7	V35 F37 I51 L53 T61 V62 A69 Y77 F141 F158	V35-F65 HydrophobicContact CB-CD1 4.4Å; V35-F65 HydrophobicContact CB-CE1 4.07Å; V35-F65 HydrophobicContact CG1-CD1 4.45Å; V35-F65 HydrophobicContact CG1-CE1 3.84Å; V35-F65 HydrophobicContact CG2-CD1 4.2Å; V35-F65 HydrophobicContact CG2-CE1 4.36Å; F37-F65 AromaticContact CE2-CZ 3.82Å; F37-F65 HydrophobicContact CE2-CZ 3.82Å; F37-F65 AromaticContact CZ-CE1 3.94Å; F37-F65 HydrophobicContact CZ-CE1 3.94Å; F37-F65 HydrophobicContact CZ-CE2 4.27Å; F37-F65 AromaticContact CZ-CZ 3.44Å; F37-F65 HydrophobicContact CZ-CZ 3.44Å; F37-F65 VanDerWaalsContact CZ-CZ 3.44Å; I51-F65 HydrophobicContact CD1-CE1 3.94Å; I51-F65 HydrophobicContact CD1-CZ 3.84Å; L53-F65 HydrophobicContact CD1-CD1 3.97Å; L53-F65 HydrophobicContact CD2-CD1 3.83Å; L53-F65 HydrophobicContact CD2-CE1 4.13Å; T61-F65 PolarHBondContact O-N 2.98Å; V62-F65 PolarHBondContact O-N 3.39Å; F65-A69 WeakPolarHBondContact O-CB 3.24Å; F65-A69 PolarHBondContact O-N 3.14Å; F65-Y77 AromaticContact CD2-CE2 3.67Å; F65-Y77 HydrophobicContact CD2-CE2 3.67Å; F65-Y77 AromaticContact CD2-CZ 3.81Å; F65-Y77 WeakPolarHBondContact CD2-OH 3.36Å; F65-Y77 AromaticContact CE2-CE2 3.64Å; F65-Y77 HydrophobicContact CE2-CE2 3.64Å; F65-Y77 AromaticContact CE2-CZ 3.87Å; F65-Y77 HydrophobicContact CG-CE2 4.15Å; F65-Y77 HydrophobicContact CZ-CE2 4.12Å; F65-F141 HydrophobicContact CE2-CB 4.15Å; F65-F141 AromaticContact CE2-CD1 3.64Å; F65-F141 HydrophobicContact CE2-CD1 3.64Å; F65-F141 HydrophobicContact CE2-CD2 4.16Å; F65-F141 HydrophobicContact CE2-CE1 4.03Å; F65-F141 AromaticContact CE2-CG 3.71Å; F65-F141 HydrophobicContact CE2-CG 3.71Å; F65-F141 HydrophobicContact CE2-CZ 4.45Å; F65-F141 HydrophobicContact CZ-CD1 4.47Å; F65-F141 HydrophobicContact CZ-CE1 4.49Å; F65-F141 HydrophobicContact CZ-CG 4.47Å; F65-F158 HydrophobicContact CB-CE2 3.94Å; F65-F158 HydrophobicContact CB-CZ 4.45Å; F65-F158 AromaticContact CD1-CE2 3.85Å; F65-F158 HydrophobicContact CD1-CE2 3.85Å; F65-F158 AromaticContact CD2-CE2 3.51Å; F65-F158 HydrophobicContact CD2-CE2 3.51Å; F65-F158 AromaticContact CD2-CZ 3.39Å; F65-F158 HydrophobicContact CD2-CZ 3.39Å; F65-F158 HydrophobicContact CE1-CE2 4.18Å; F65-F158 AromaticContact CE2-CE2 3.89Å; F65-F158 HydrophobicContact CE2-CE2 3.89Å; F65-F158 AromaticContact CE2-CZ 3.63Å; F65-F158 HydrophobicContact CE2-CZ 3.63Å; F65-F158 HydrophobicContact CG-CD2 4.45Å; F65-F158 AromaticContact CG-CE2 3.49Å; F65-F158 HydrophobicContact CG-CE2 3.49Å; F65-F158 VanDerWaalsContact CG-CE2 3.49Å; F65-F158 AromaticContact CG-CZ 3.9Å; F65-F158 HydrophobicContact CG-CZ 3.9Å; F65-F158 HydrophobicContact CZ-CE2 4.19Å; F65-F158 HydrophobicContact CZ-CZ 4.27Å
66	V	98.9	Very high	98.6	Very high	14 Å²	14	40 Å²	40	9%	0.085	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-48.8	176.4	171.1	0	0	0	0	110.9	E33 V35 L53 V62 N64 L68 A69 T70 K193	E33-V66 HydrophobicContact CB-CG2 4.28Å; V35-V66 HydrophobicContact CG2-CG2 4.02Å; L53-V66 HydrophobicContact CD1-CG2 3.48Å; L53-V66 VanDerWaalsContact CD1-CG2 3.48Å; V62-V66 HydrophobicContact CG1-CG2 4.16Å; V62-V66 WeakPolarHBondContact O-CB 3.16Å; V62-V66 VanDerWaalsContact O-CG2 3.3Å; V62-V66 WeakPolarHBondContact O-CG2 3.43Å; V62-V66 PolarHBondContact O-N 3.22Å; N64-V66 PolarHBondContact O-N 3.38Å; V66-L68 VanDerWaalsContact C-N 3.3Å; V66-L68 PolarHBondContact O-N 3.25Å; V66-A69 WeakPolarHBondContact O-CB 3.36Å; V66-A69 PolarHBondContact O-N 2.64Å; V66-A69 VanDerWaalsContact O-N 3.1Å; V66-T70 HydrophobicContact CG1-CG2 4.39Å; V66-T70 WeakPolarHBondContact O-CG2 3.46Å; V66-T70 PolarHBondContact O-N 3.16Å; V66-T70 PolarHBondContact O-OG1 3.24Å; V66-K193 HydrophobicContact CG1-CB 4.4Å; V66-K193 HydrophobicContact CG1-CD 3.94Å; V66-K193 HydrophobicContact CG1-CG 4.47Å
67	A	98.9	Very high	98.7	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-36	-178.7	0	0	0	0	0	112.5	N63 N64 T70 G71 E72 I107	N63-A67 VanDerWaalsContact O-CB 3.31Å; N63-A67 WeakPolarHBondContact O-CB 3.12Å; N63-A67 PolarHBondContact O-N 3.35Å; N64-A67 PolarHBondContact O-N 2.83Å; A67-T70 PolarHBondContact O-OG1 3.12Å; A67-T70 VanDerWaalsContact O-OG1 3.11Å; A67-G71 PolarHBondContact O-N 3.2Å; A67-E72 HydrophobicContact CB-CG 3.94Å; A67-E72 PolarHBondContact O-N 2.88Å; A67-I107 HydrophobicContact CB-CD1 4.04Å; A67-I107 HydrophobicContact CB-CG2 3.74Å
68	L	98.9	Very high	98.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-70.7	-33.8	173.3	-69.1	174	0	0	0	112.2	N64 V66 Y75 G76 Y77 F96 I107	N64-L68 WeakPolarHBondContact O-CB 3.28Å; N64-L68 VanDerWaalsContact O-CG 3.28Å; N64-L68 WeakPolarHBondContact O-CG 3.39Å; N64-L68 PolarHBondContact O-N 2.86Å; V66-L68 VanDerWaalsContact C-N 3.3Å; V66-L68 PolarHBondContact O-N 3.25Å; L68-Y75 HydrophobicContact CD2-CD2 3.75Å; L68-Y75 HydrophobicContact CD2-CE2 3.66Å; L68-G76 CarbonylContact O-C 3.57Å; L68-G76 WeakPolarHBondContact O-CA 3.37Å; L68-Y77 HydrophobicContact CB-CD1 4.44Å; L68-Y77 HydrophobicContact CB-CD2 3.94Å; L68-Y77 HydrophobicContact CB-CE1 4.04Å; L68-Y77 HydrophobicContact CB-CE2 3.49Å; L68-Y77 VanDerWaalsContact CB-CE2 3.49Å; L68-Y77 HydrophobicContact CB-CG 4.39Å; L68-Y77 HydrophobicContact CD1-CE1 4.09Å; L68-Y77 HydrophobicContact CD1-CE2 4.48Å; L68-Y77 VanDerWaalsContact CD1-OH 3.31Å; L68-Y77 WeakPolarHBondContact CD1-OH 3.34Å; L68-Y77 PolarHBondContact O-N 3.31Å; L68-F96 HydrophobicContact CD1-CE1 4.41Å; L68-F96 HydrophobicContact CD2-CE1 3.64Å; L68-F96 HydrophobicContact CD2-CZ 3.99Å; L68-I107 HydrophobicContact CD2-CG2 4.34Å; L68-I107 HydrophobicContact CG-CG2 4.31Å
69	A	98.9	Very high	98.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-70.7	-38	174.8	0	0	0	0	0	112.8	V35 F37 F65 V66 Y77 S191 G192	V35-A69 HydrophobicContact CB-CB 4.28Å; V35-A69 HydrophobicContact CG1-CB 3.45Å; V35-A69 VanDerWaalsContact CG1-CB 3.45Å; V35-A69 HydrophobicContact CG2-CB 3.76Å; F37-A69 HydrophobicContact CE1-CB 4.29Å; F65-A69 WeakPolarHBondContact O-CB 3.24Å; F65-A69 PolarHBondContact O-N 3.14Å; V66-A69 WeakPolarHBondContact O-CB 3.36Å; V66-A69 PolarHBondContact O-N 2.64Å; V66-A69 VanDerWaalsContact O-N 3.1Å; A69-Y77 HydrophobicContact CB-CD2 4.03Å; A69-Y77 HydrophobicContact CB-CE2 4.47Å; A69-S191 CarbonylContact O-C 3.55Å; A69-S191 WeakPolarHBondContact O-CB 3.3Å; A69-S191 PolarHBondContact O-OG 3.48Å; A69-G192 PolarHBondContact O-N 3.27Å
70	T	98.8	Very high	98.7	Very high	56 Å²	56	39.9 Å²	39.9	34%	0.344	24%	0.237	S	C	.	.	H	α-helix	trans	-77.5	-24.4	176.7	60.8	0	0	0	0	112.8	V66 A67 E72 K193	V66-T70 HydrophobicContact CG1-CG2 4.39Å; V66-T70 WeakPolarHBondContact O-CG2 3.46Å; V66-T70 PolarHBondContact O-N 3.16Å; V66-T70 PolarHBondContact O-OG1 3.24Å; A67-T70 PolarHBondContact O-OG1 3.12Å; A67-T70 VanDerWaalsContact O-OG1 3.11Å; T70-E72 PolarHBondContact O-N 2.74Å; T70-E72 WeakPolarHBondContact OG1-CG 3.4Å; T70-E72 PolarHBondContact OG1-N 3.46Å; T70-K193 HydrophobicContact CG2-CB 3.77Å
71	G	98.6	Very high	98.7	Very high	27 Å²	27	36.7 Å²	36.7	28%	0.278	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	16.9	-174.2	0	0	0	0	0	113.4	A67 K73 G74 Y75	A67-G71 PolarHBondContact O-N 3.2Å; G71-K73 PolarHBondContact O-N 3.49Å; G71-G74 PolarHBondContact O-N 3.25Å; G71-Y75 WeakPolarHBondContact CA-O 3.48Å
72	E	98.4	Very high	98.7	Very high	124 Å²	124	36.9 Å²	36.9	58%	0.579	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.6	-173.8	65.7	171.5	-130.8	0	0	113.9	A67 T70 G74	A67-E72 HydrophobicContact CB-CG 3.94Å; A67-E72 PolarHBondContact O-N 2.88Å; T70-E72 PolarHBondContact O-N 2.74Å; T70-E72 WeakPolarHBondContact OG1-CG 3.4Å; T70-E72 PolarHBondContact OG1-N 3.46Å; E72-G74 VanDerWaalsContact C-N 3.33Å
73	K	97.9	Very high	98.7	Very high	106 Å²	106	37.3 Å²	37.3	46%	0.461	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	5	175.7	-54.5	-54.6	178.9	-160.7	0	113.4	G71 Y75 I107	G71-K73 PolarHBondContact O-N 3.49Å; K73-Y75 VanDerWaalsContact C-N 3.33Å; K73-Y75 HydrophobicContact CB-CD1 4.05Å; K73-Y75 HydrophobicContact CB-CE1 3.48Å; K73-Y75 VanDerWaalsContact CB-CE1 3.48Å; K73-Y75 HydrophobicContact CB-CE2 4.35Å; K73-Y75 VanDerWaalsContact O-CD1 3.22Å; K73-Y75 WeakPolarHBondContact O-CD1 3.24Å; K73-Y75 WeakPolarHBondContact O-CE1 3.24Å; K73-I107 HydrophobicContact CG-CB 4.4Å; K73-I107 HydrophobicContact CG-CG2 3.82Å
74	G	98.3	Very high	98.7	Very high	75 Å²	75	38 Å²	38	77%	0.773	22%	0.22	S	C	*	.	S	Bend	trans	83	6.6	-176.7	0	0	0	0	0	114.5	G71 E72	G71-G74 PolarHBondContact O-N 3.25Å; E72-G74 VanDerWaalsContact C-N 3.33Å
75	Y	98.5	Very high	98.7	Very high	54 Å²	54	38 Å²	38	21%	0.212	22%	0.22	C	C	.	.			trans	-149.9	156.4	174.9	55.7	-88.7	0	0	0	108.7	L68 G71 K73 F96 R105	L68-Y75 HydrophobicContact CD2-CD2 3.75Å; L68-Y75 HydrophobicContact CD2-CE2 3.66Å; G71-Y75 WeakPolarHBondContact CA-O 3.48Å; K73-Y75 VanDerWaalsContact C-N 3.33Å; K73-Y75 HydrophobicContact CB-CD1 4.05Å; K73-Y75 HydrophobicContact CB-CE1 3.48Å; K73-Y75 VanDerWaalsContact CB-CE1 3.48Å; K73-Y75 HydrophobicContact CB-CE2 4.35Å; K73-Y75 VanDerWaalsContact O-CD1 3.22Å; K73-Y75 WeakPolarHBondContact O-CD1 3.24Å; K73-Y75 WeakPolarHBondContact O-CE1 3.24Å; Y75-F96 HydrophobicContact CD2-CE1 4.32Å; Y75-F96 AromaticContact CD2-CE2 3.7Å; Y75-F96 HydrophobicContact CD2-CE2 3.7Å; Y75-F96 AromaticContact CD2-CZ 3.47Å; Y75-F96 HydrophobicContact CD2-CZ 3.47Å; Y75-F96 VanDerWaalsContact CD2-CZ 3.47Å; Y75-F96 HydrophobicContact CE2-CZ 4.05Å; Y75-F96 HydrophobicContact CG-CE2 4.24Å; Y75-F96 HydrophobicContact CG-CZ 4.43Å; Y75-R105 HydrophobicContact CE2-CG 4.25Å
76	G	98.6	Very high	98.7	Very high	12 Å²	12	39.8 Å²	39.8	12%	0.124	23%	0.229	C	C	.	.			trans	170.9	-168	-174.6	0	0	0	0	0	114.4	L68 F96	L68-G76 CarbonylContact O-C 3.57Å; L68-G76 WeakPolarHBondContact O-CA 3.37Å; G76-F96 WeakPolarHBondContact O-CB 3.46Å; G76-F96 WeakPolarHBondContact O-CG 3.36Å
77	Y	98.9	Very high	98.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-76.4	-21.5	-172.2	-61.1	-45.8	0	0	0	115	F37 F65 L68 A69 G79 S80 F96 S139 F141	F37-Y77 AromaticContact CE1-CD2 3.85Å; F37-Y77 HydrophobicContact CE1-CD2 3.85Å; F37-Y77 HydrophobicContact CE1-CG 4.4Å; F37-Y77 AromaticContact CZ-CD2 3.83Å; F37-Y77 HydrophobicContact CZ-CD2 3.83Å; F37-Y77 HydrophobicContact CZ-CE2 4.32Å; F37-Y77 HydrophobicContact CZ-CG 4.44Å; F65-Y77 AromaticContact CD2-CE2 3.67Å; F65-Y77 HydrophobicContact CD2-CE2 3.67Å; F65-Y77 AromaticContact CD2-CZ 3.81Å; F65-Y77 WeakPolarHBondContact CD2-OH 3.36Å; F65-Y77 AromaticContact CE2-CE2 3.64Å; F65-Y77 HydrophobicContact CE2-CE2 3.64Å; F65-Y77 AromaticContact CE2-CZ 3.87Å; F65-Y77 HydrophobicContact CG-CE2 4.15Å; F65-Y77 HydrophobicContact CZ-CE2 4.12Å; L68-Y77 HydrophobicContact CB-CD1 4.44Å; L68-Y77 HydrophobicContact CB-CD2 3.94Å; L68-Y77 HydrophobicContact CB-CE1 4.04Å; L68-Y77 HydrophobicContact CB-CE2 3.49Å; L68-Y77 VanDerWaalsContact CB-CE2 3.49Å; L68-Y77 HydrophobicContact CB-CG 4.39Å; L68-Y77 HydrophobicContact CD1-CE1 4.09Å; L68-Y77 HydrophobicContact CD1-CE2 4.48Å; L68-Y77 VanDerWaalsContact CD1-OH 3.31Å; L68-Y77 WeakPolarHBondContact CD1-OH 3.34Å; L68-Y77 PolarHBondContact O-N 3.31Å; A69-Y77 HydrophobicContact CB-CD2 4.03Å; A69-Y77 HydrophobicContact CB-CE2 4.47Å; Y77-G79 PolarHBondContact O-N 3.13Å; Y77-S80 WeakPolarHBondContact O-CB 3.45Å; Y77-S80 PolarHBondContact O-N 3.23Å; Y77-S80 PolarHBondContact O-OG 2.84Å; Y77-F96 HydrophobicContact CD1-CD1 4.37Å; Y77-S139 VanDerWaalsContact CE1-O 3.3Å; Y77-S139 WeakPolarHBondContact CE1-O 3.49Å; Y77-S139 PolarHBondContact OH-O 3.08Å; Y77-S139 VanDerWaalsContact OH-O 3.08Å; Y77-F141 HydrophobicContact CD1-CE1 4.21Å; Y77-F141 HydrophobicContact CE1-CD1 4.1Å; Y77-F141 HydrophobicContact CE1-CE1 4.03Å
78	K	98.8	Very high	98.6	Very high	132 Å²	132	50.5 Å²	50.5	57%	0.574	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	123.5	178.3	-178.2	173.8	-179.4	168.7	0	110.6	S80 V189 S191	K78-S80 VanDerWaalsContact C-N 3.34Å; K78-V189 VanDerWaalsContact CE-O 3.31Å; K78-V189 WeakPolarHBondContact CE-O 3.31Å; K78-S191 PolarHBondContact N-OG 2.78Å
79	G	98.7	Very high	98.6	Very high	53 Å²	53	52.4 Å²	52.4	55%	0.546	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-4.7	-176.2	0	0	0	0	0	114.6	Y77 I188	Y77-G79 PolarHBondContact O-N 3.13Å; G79-I188 PolarHBondContact N-O 2.91Å
80	S	98.8	Very high	98.6	Very high	6 Å²	6	52.5 Å²	52.5	4%	0.042	29%	0.289	C	S	.	.			trans	-81.3	160.8	175.1	72.3	0	0	0	0	112.1	Y77 K78 I188	Y77-S80 WeakPolarHBondContact O-CB 3.45Å; Y77-S80 PolarHBondContact O-N 3.23Å; Y77-S80 PolarHBondContact O-OG 2.84Å; K78-S80 VanDerWaalsContact C-N 3.34Å; S80-I188 PolarHBondContact O-N 3.07Å
81	T	98.8	Very high	98.6	Very high	23 Å²	23	49.9 Å²	49.9	14%	0.141	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-112.3	159.3	-173.6	62.6	0	0	0	0	112.7	H83 G93 E185 C186 V187	T81-H83 PolarHBondContact O-N 3.12Å; T81-G93 WeakPolarHBondContact O-CA 3.37Å; T81-E185 HydrophobicContact CG2-CG 3.92Å; T81-E185 WeakPolarHBondContact CG2-OE1 3.46Å; T81-C186 CarbonylContact C-O 3.52Å; T81-C186 VanDerWaalsContact CA-O 3.28Å; T81-C186 WeakPolarHBondContact CA-O 3.42Å; T81-V187 HydrophobicContact CG2-CG2 4.26Å
82	F	98.8	Very high	98.6	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.013	26%	0.263	C	S	.	.			trans	-83.5	93.3	160.8	-68.6	-88.8	0	0	0	108.9	I39 R84 V85 I91 Q92 F141 I171 C186 I188	I39-F82 HydrophobicContact CD1-CE2 3.86Å; F82-R84 VanDerWaalsContact C-N 3.35Å; F82-V85 HydrophobicContact CB-CG2 4.46Å; F82-I91 HydrophobicContact CD1-CB 4.07Å; F82-I91 HydrophobicContact CD1-CD1 3.99Å; F82-I91 HydrophobicContact CD1-CG1 4.05Å; F82-I91 HydrophobicContact CE1-CB 4.5Å; F82-I91 HydrophobicContact CE1-CD1 3.72Å; F82-I91 HydrophobicContact CE1-CG1 3.97Å; F82-I91 HydrophobicContact CZ-CD1 4.21Å; F82-Q92 CarbonylContact C-O 3.51Å; F82-Q92 VanDerWaalsContact CA-O 3.25Å; F82-Q92 WeakPolarHBondContact CA-O 3.32Å; F82-F141 HydrophobicContact CE1-CE2 4.15Å; F82-F141 HydrophobicContact CE1-CZ 4.25Å; F82-F141 HydrophobicContact CZ-CZ 4.38Å; F82-I171 HydrophobicContact CB-CG2 4.12Å; F82-I171 HydrophobicContact CD2-CD1 3.9Å; F82-I171 HydrophobicContact CD2-CG2 4.49Å; F82-I171 HydrophobicContact CE2-CD1 3.75Å; F82-I171 HydrophobicContact CG-CD1 4.44Å; F82-I171 HydrophobicContact CG-CG2 4.21Å; F82-I171 HydrophobicContact CZ-CD1 4.18Å; F82-C186 HydrophobicContact CB-CB 4.16Å; F82-C186 HydrophobicContact CD2-CB 4.29Å; F82-C186 PolarHBondContact N-O 2.82Å; F82-I188 HydrophobicContact CE2-CD1 4.15Å; F82-I188 HydrophobicContact CE2-CG1 3.73Å; F82-I188 HydrophobicContact CZ-CD1 4.23Å; F82-I188 HydrophobicContact CZ-CG1 4.26Å
83	H	98.8	Very high	98.6	Very high	11 Å²	11	43.6 Å²	43.6	5%	0.051	24%	0.236	C	C	.	.			trans	-86	-5.3	-172	61	-93.1	0	0	0	113.7	T81 Q92 G99 G101 Q140 L181	T81-H83 PolarHBondContact O-N 3.12Å; H83-Q92 PolarHBondContact N-O 2.92Å; H83-Q92 VanDerWaalsContact N-O 3.16Å; H83-G99 VanDerWaalsContact CB-O 3.23Å; H83-G99 WeakPolarHBondContact CB-O 3.4Å; H83-G101 WeakPolarHBondContact NE2-CA 3.34Å; H83-Q140 PolarHBondContact NE2-OE1 3.18Å; H83-L181 HydrophobicContact CB-CD1 4.32Å; H83-L181 WeakPolarHBondContact O-CD1 3.46Å
84	R	98.8	Very high	98.7	Very high	99 Å²	99	38.6 Å²	38.6	37%	0.374	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	122	176.4	-170.3	-169.2	-179.5	-155.9	3.1	111.1	F82 M90 Q92 N180	F82-R84 VanDerWaalsContact C-N 3.35Å; R84-M90 HydrophobicContact CG-CE 4.01Å; R84-Q92 HydrophobicContact CB-CB 4.18Å; R84-Q92 PolarHBondContact N-O 3.32Å; R84-Q92 PolarHBondContact O-N 3.23Å; R84-N180 CarbonylContact C-O 3.58Å; R84-N180 WeakPolarHBondContact CA-O 3.32Å; R84-N180 HydrophobicContact CG-CB 4Å
85	V	98.8	Very high	98.7	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.9	-176	170.2	0	0	0	0	109.5	F82 I91 I171 E172 T176 N180 P182	F82-V85 HydrophobicContact CB-CG2 4.46Å; V85-I91 HydrophobicContact CB-CG2 4.49Å; V85-I91 HydrophobicContact CG1-CG2 4.06Å; V85-I91 HydrophobicContact CG2-CB 4.3Å; V85-I91 HydrophobicContact CG2-CG2 4.03Å; V85-I171 HydrophobicContact CG2-CG2 3.85Å; V85-E172 WeakPolarHBondContact CG1-O 3.25Å; V85-T176 HydrophobicContact CB-CG2 4.01Å; V85-T176 HydrophobicContact CG1-CG2 4.27Å; V85-N180 PolarHBondContact N-O 3.4Å; V85-N180 WeakPolarHBondContact O-CB 3.47Å; V85-P182 HydrophobicContact CB-CG 3.85Å; V85-P182 HydrophobicContact CG2-CG 3.46Å; V85-P182 VanDerWaalsContact CG2-CG 3.46Å
86	I	98.6	Very high	98.7	Very high	37 Å²	37	34.5 Å²	34.5	19%	0.19	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	111.4	177.5	-56.8	176.2	0	0	0	107.9	F89 M90 N180	I86-F89 HydrophobicContact CB-CB 4.09Å; I86-F89 HydrophobicContact CB-CD1 3.97Å; I86-F89 HydrophobicContact CD1-CD1 3.9Å; I86-F89 HydrophobicContact CD1-CE1 4.27Å; I86-F89 HydrophobicContact CG1-CD1 4.49Å; I86-F89 HydrophobicContact CG2-CB 3.84Å; I86-F89 HydrophobicContact CG2-CD1 4Å; I86-F89 HydrophobicContact CG2-CG 4.45Å; I86-F89 PolarHBondContact O-N 2.82Å; I86-F89 VanDerWaalsContact O-N 3.11Å; I86-M90 HydrophobicContact CB-CE 4.03Å; I86-M90 HydrophobicContact CD1-CE 3.68Å; I86-M90 HydrophobicContact CG1-CE 3.63Å; I86-M90 PolarHBondContact N-O 2.99Å; I86-M90 PolarHBondContact O-N 2.89Å; I86-N180 HydrophobicContact CD1-CB 4.43Å; I86-N180 HydrophobicContact CG1-CB 3.8Å
87	K	98.3	Very high	98.7	Very high	128 Å²	128	38 Å²	38	56%	0.557	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	141.4	176.8	-175.6	179.8	173.7	177.7	0	111.3	F89 L173	K87-F89 PolarHBondContact O-N 3.4Å; K87-L173 HydrophobicContact CD-CD2 4.21Å
88	D	97.8	Very high	98.6	Very high	114 Å²	114	40.7 Å²	40.7	61%	0.61	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	19.4	-175.9	-55.6	-54.4	0	0	0	113.2	S146 E172	D88-S146 VanDerWaalsContact O-CB 3.27Å; D88-S146 WeakPolarHBondContact O-CB 3.48Å; D88-S146 PolarHBondContact O-OG 2.94Å; D88-E172 WeakPolarHBondContact CA-OE1 3.41Å; D88-E172 PolarHBondContact N-OE1 3.46Å
89	F	98.6	Very high	98.5	Very high	39 Å²	39	35.7 Å²	35.7	17%	0.171	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-74.8	177.9	178.9	-149.7	0	0	0	113	I86 K87 T144 A145 A148 W150 L151	I86-F89 HydrophobicContact CB-CB 4.09Å; I86-F89 HydrophobicContact CB-CD1 3.97Å; I86-F89 HydrophobicContact CD1-CD1 3.9Å; I86-F89 HydrophobicContact CD1-CE1 4.27Å; I86-F89 HydrophobicContact CG1-CD1 4.49Å; I86-F89 HydrophobicContact CG2-CB 3.84Å; I86-F89 HydrophobicContact CG2-CD1 4Å; I86-F89 HydrophobicContact CG2-CG 4.45Å; I86-F89 PolarHBondContact O-N 2.82Å; I86-F89 VanDerWaalsContact O-N 3.11Å; K87-F89 PolarHBondContact O-N 3.4Å; F89-T144 WeakPolarHBondContact O-CA 3.31Å; F89-A145 PolarHBondContact O-N 3.09Å; F89-A148 HydrophobicContact CD2-CB 4.34Å; F89-A148 HydrophobicContact CE2-CB 3.93Å; F89-W150 AromaticContact CD2-CZ2 3.84Å; F89-W150 HydrophobicContact CD2-CZ2 3.84Å; F89-W150 AromaticContact CE2-CZ2 3.75Å; F89-W150 HydrophobicContact CE2-CZ2 3.75Å; F89-W150 AromaticContact CE2-NE1 3.9Å; F89-W150 AromaticContact CZ-NE1 4Å; F89-L151 HydrophobicContact CE2-CD1 3.83Å; F89-L151 HydrophobicContact CZ-CD1 3.94Å
90	M	98.8	Very high	98.5	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	159.5	-172.8	64.7	86.4	-135.6	0	0	113.8	R84 I86 Q92 F142 I143	R84-M90 HydrophobicContact CG-CE 4.01Å; I86-M90 HydrophobicContact CB-CE 4.03Å; I86-M90 HydrophobicContact CD1-CE 3.68Å; I86-M90 HydrophobicContact CG1-CE 3.63Å; I86-M90 PolarHBondContact N-O 2.99Å; I86-M90 PolarHBondContact O-N 2.89Å; M90-Q92 HydrophobicContact CE-CB 4.18Å; M90-Q92 HydrophobicContact SD-CB 3.56Å; M90-Q92 VanDerWaalsContact SD-CB 3.56Å; M90-F142 HydrophobicContact CB-CB 4.34Å; M90-F142 HydrophobicContact CB-CD2 4.12Å; M90-F142 HydrophobicContact CG-CB 4.44Å; M90-F142 HydrophobicContact CG-CD2 4.5Å; M90-F142 HydrophobicContact SD-CB 3.87Å; M90-I143 VanDerWaalsContact CA-O 3.22Å; M90-I143 WeakPolarHBondContact CA-O 3.46Å; M90-I143 WeakPolarHBondContact CB-O 3.48Å
91	I	98.9	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131	164.4	64	172.6	0	0	0	109.2	F82 V85 F142 I143 V168 I171 E172	F82-I91 HydrophobicContact CD1-CB 4.07Å; F82-I91 HydrophobicContact CD1-CD1 3.99Å; F82-I91 HydrophobicContact CD1-CG1 4.05Å; F82-I91 HydrophobicContact CE1-CB 4.5Å; F82-I91 HydrophobicContact CE1-CD1 3.72Å; F82-I91 HydrophobicContact CE1-CG1 3.97Å; F82-I91 HydrophobicContact CZ-CD1 4.21Å; V85-I91 HydrophobicContact CB-CG2 4.49Å; V85-I91 HydrophobicContact CG1-CG2 4.06Å; V85-I91 HydrophobicContact CG2-CB 4.3Å; V85-I91 HydrophobicContact CG2-CG2 4.03Å; I91-F142 CarbonylContact O-C 3.52Å; I91-F142 WeakPolarHBondContact O-CA 3.29Å; I91-F142 WeakPolarHBondContact O-CB 3.38Å; I91-I143 HydrophobicContact CD1-CB 4.44Å; I91-I143 HydrophobicContact CD1-CD1 4.23Å; I91-I143 HydrophobicContact CG1-CB 3.88Å; I91-I143 HydrophobicContact CG1-CD1 4.43Å; I91-I143 HydrophobicContact CG1-CG1 4.38Å; I91-I143 PolarHBondContact N-O 3.32Å; I91-I143 PolarHBondContact O-N 3.46Å; I91-V168 HydrophobicContact CD1-CB 4.27Å; I91-V168 HydrophobicContact CD1-CG1 3.78Å; I91-V168 HydrophobicContact CD1-CG2 4.33Å; I91-V168 HydrophobicContact CG1-CG1 4.2Å; I91-I171 HydrophobicContact CB-CG2 4.2Å; I91-I171 HydrophobicContact CD1-CB 4.06Å; I91-I171 HydrophobicContact CD1-CD1 3.69Å; I91-I171 HydrophobicContact CD1-CG2 4.07Å; I91-I171 HydrophobicContact CG2-CB 4.27Å; I91-I171 HydrophobicContact CG2-CG2 3.85Å; I91-E172 HydrophobicContact CG2-CB 4.1Å
92	Q	98.9	Very high	98.3	Very high	20 Å²	20	44 Å²	44	9%	0.093	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.4	-176.3	170.8	178.5	-7.2	0	0	110.7	F82 H83 R84 M90 F141 F142	F82-Q92 CarbonylContact C-O 3.51Å; F82-Q92 VanDerWaalsContact CA-O 3.25Å; F82-Q92 WeakPolarHBondContact CA-O 3.32Å; H83-Q92 PolarHBondContact N-O 2.92Å; H83-Q92 VanDerWaalsContact N-O 3.16Å; R84-Q92 HydrophobicContact CB-CB 4.18Å; R84-Q92 PolarHBondContact N-O 3.32Å; R84-Q92 PolarHBondContact O-N 3.23Å; M90-Q92 HydrophobicContact CE-CB 4.18Å; M90-Q92 HydrophobicContact SD-CB 3.56Å; M90-Q92 VanDerWaalsContact SD-CB 3.56Å; Q92-F141 WeakPolarHBondContact CA-O 3.5Å; Q92-F142 HydrophobicContact CB-CB 4.04Å
93	G	98.9	Very high	98.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-160.9	-179.3	0	0	0	0	0	111.6	T81 Q140 F141	T81-G93 WeakPolarHBondContact O-CA 3.37Å; G93-Q140 VanDerWaalsContact O-CA 3.25Å; G93-Q140 WeakPolarHBondContact O-CA 3.46Å; G93-F141 PolarHBondContact N-O 3.03Å; G93-F141 PolarHBondContact O-N 3.03Å
94	G	98.6	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.			trans	86.6	4.7	175.3	0	0	0	0	0	115.4	F96 S139	G94-F96 PolarHBondContact O-N 2.92Å; G94-S139 CarbonylContact O-C 3.58Å; G94-S139 VanDerWaalsContact O-CB 3.31Å; G94-S139 WeakPolarHBondContact O-CB 3.36Å; G94-S139 PolarHBondContact O-OG 2.9Å
95	D	98.8	Very high	98.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.254	C	S	.	.			trans	-82.6	91.2	163.4	-177.7	-4.4	0	0	0	109	T97 A98 G99 D100 G101 N102 G103 G104 Q140	D95-T97 PolarHBondContact OD1-N 2.79Å; D95-T97 VanDerWaalsContact OD1-N 3.12Å; D95-T97 PolarHBondContact OD1-OG1 3.16Å; D95-A98 PolarHBondContact OD1-N 2.91Å; D95-G99 WeakPolarHBondContact O-CA 3.47Å; D95-G99 PolarHBondContact O-N 2.85Å; D95-G99 PolarHBondContact OD1-N 3.47Å; D95-G99 PolarHBondContact OD2-N 2.88Å; D95-G99 VanDerWaalsContact OD2-N 3.16Å; D95-D100 PolarHBondContact OD2-N 3.04Å; D95-D100 VanDerWaalsContact OD2-N 3.14Å; D95-G101 WeakPolarHBondContact OD2-CA 3.48Å; D95-G101 PolarHBondContact OD2-N 2.91Å; D95-N102 PolarHBondContact OD2-N 3.49Å; D95-G103 VanDerWaalsContact OD1-C 3.26Å; D95-G103 VanDerWaalsContact OD1-CA 3.24Å; D95-G103 WeakPolarHBondContact OD1-CA 3.31Å; D95-G103 WeakPolarHBondContact OD2-CA 3.25Å; D95-G103 PolarHBondContact OD2-N 2.86Å; D95-G104 PolarHBondContact OD1-N 2.99Å; D95-Q140 HydrophobicContact CB-CG 3.96Å
96	F	98.5	Very high	98.2	Very high	42 Å²	42	45.1 Å²	45.1	18%	0.184	25%	0.254	C	S	.	.			trans	-90.1	1.7	179.4	59.3	-104.9	0	0	0	113.6	L68 Y75 G76 Y77 G94 R105 S139	L68-F96 HydrophobicContact CD1-CE1 4.41Å; L68-F96 HydrophobicContact CD2-CE1 3.64Å; L68-F96 HydrophobicContact CD2-CZ 3.99Å; Y75-F96 HydrophobicContact CD2-CE1 4.32Å; Y75-F96 AromaticContact CD2-CE2 3.7Å; Y75-F96 HydrophobicContact CD2-CE2 3.7Å; Y75-F96 AromaticContact CD2-CZ 3.47Å; Y75-F96 HydrophobicContact CD2-CZ 3.47Å; Y75-F96 VanDerWaalsContact CD2-CZ 3.47Å; Y75-F96 HydrophobicContact CE2-CZ 4.05Å; Y75-F96 HydrophobicContact CG-CE2 4.24Å; Y75-F96 HydrophobicContact CG-CZ 4.43Å; G76-F96 WeakPolarHBondContact O-CB 3.46Å; G76-F96 WeakPolarHBondContact O-CG 3.36Å; Y77-F96 HydrophobicContact CD1-CD1 4.37Å; G94-F96 PolarHBondContact O-N 2.92Å; F96-R105 HydrophobicContact CE2-CG 4.17Å; F96-R105 HydrophobicContact CZ-CG 3.77Å; F96-R105 WeakPolarHBondContact CZ-O 3.27Å; F96-S139 VanDerWaalsContact CE1-OG 3.31Å; F96-S139 WeakPolarHBondContact CE1-OG 3.48Å
97	T	98.3	Very high	98.2	Very high	86 Å²	86	45.2 Å²	45.2	53%	0.528	26%	0.255	S	S	.	.	S	Bend	trans	-107	-44.3	-178.3	62.2	0	0	0	0	112.8	D95 G103 G104	D95-T97 PolarHBondContact OD1-N 2.79Å; D95-T97 VanDerWaalsContact OD1-N 3.12Å; D95-T97 PolarHBondContact OD1-OG1 3.16Å; T97-G103 VanDerWaalsContact OG1-CA 3.24Å; T97-G103 WeakPolarHBondContact OG1-CA 3.47Å; T97-G104 PolarHBondContact OG1-N 2.67Å
98	A	97.6	Very high	98.2	Very high	57 Å²	57	43.8 Å²	43.8	47%	0.471	25%	0.247	S	C	.	.	S	Bend	trans	-111.1	-29.2	-179.3	0	0	0	0	0	111.9	D95 D100	D95-A98 PolarHBondContact OD1-N 2.91Å; A98-D100 VanDerWaalsContact CB-OD1 3.28Å; A98-D100 WeakPolarHBondContact CB-OD1 3.49Å; A98-D100 PolarHBondContact O-N 2.77Å
99	G	97.4	Very high	98.2	Very high	26 Å²	26	40 Å²	40	27%	0.268	23%	0.234	S	C	.	.	S	Bend	trans	70.7	15.2	179.3	0	0	0	0	0	114.2	H83 D95	H83-G99 VanDerWaalsContact CB-O 3.23Å; H83-G99 WeakPolarHBondContact CB-O 3.4Å; D95-G99 WeakPolarHBondContact O-CA 3.47Å; D95-G99 PolarHBondContact O-N 2.85Å; D95-G99 PolarHBondContact OD1-N 3.47Å; D95-G99 PolarHBondContact OD2-N 2.88Å; D95-G99 VanDerWaalsContact OD2-N 3.16Å
100	D	97.1	Very high	98.1	Very high	92 Å²	92	44.1 Å²	44.1	49%	0.492	26%	0.258	S	S	.	.	S	Bend	trans	-128.4	-0.4	-173.2	72.8	-9	0	0	0	113.6	D95 A98 N102	D95-D100 PolarHBondContact OD2-N 3.04Å; D95-D100 VanDerWaalsContact OD2-N 3.14Å; A98-D100 VanDerWaalsContact CB-OD1 3.28Å; A98-D100 WeakPolarHBondContact CB-OD1 3.49Å; A98-D100 PolarHBondContact O-N 2.77Å; D100-N102 VanDerWaalsContact CG-ND2 3.31Å; D100-N102 VanDerWaalsContact OD1-CB 3.31Å; D100-N102 WeakPolarHBondContact OD1-CB 3.4Å; D100-N102 PolarHBondContact OD1-N 3.42Å; D100-N102 PolarHBondContact OD1-ND2 2.92Å; D100-N102 PolarHBondContact OD2-ND2 3.06Å
101	G	97.3	Very high	98	Very high	24 Å²	24	49.5 Å²	49.5	25%	0.247	28%	0.283	C	S	.	.	S	Bend	trans	95.7	-4.9	-179.1	0	0	0	0	0	114.2	H83 D95 Q140	H83-G101 WeakPolarHBondContact NE2-CA 3.34Å; D95-G101 WeakPolarHBondContact OD2-CA 3.48Å; D95-G101 PolarHBondContact OD2-N 2.91Å; G101-Q140 VanDerWaalsContact C-NE2 3.29Å; G101-Q140 PolarHBondContact O-NE2 2.92Å
102	N	96.9	Very high	98	Very high	140 Å²	140	50.5 Å²	50.5	75%	0.749	29%	0.287	S	S	*	.	S	Bend	trans	-92.4	-8.1	176.3	-61.8	-56.3	0	0	0	113.3	D95 D100	D95-N102 PolarHBondContact OD2-N 3.49Å; D100-N102 VanDerWaalsContact CG-ND2 3.31Å; D100-N102 VanDerWaalsContact OD1-CB 3.31Å; D100-N102 WeakPolarHBondContact OD1-CB 3.4Å; D100-N102 PolarHBondContact OD1-N 3.42Å; D100-N102 PolarHBondContact OD1-ND2 2.92Å; D100-N102 PolarHBondContact OD2-ND2 3.06Å
103	G	97.6	Very high	98	Very high	17 Å²	17	52.3 Å²	52.3	18%	0.175	31%	0.305	C	S	.	.			trans	-110.9	-159.1	-175.9	0	0	0	0	0	114.7	D95 T97 Q140	D95-G103 VanDerWaalsContact OD1-C 3.26Å; D95-G103 VanDerWaalsContact OD1-CA 3.24Å; D95-G103 WeakPolarHBondContact OD1-CA 3.31Å; D95-G103 WeakPolarHBondContact OD2-CA 3.25Å; D95-G103 PolarHBondContact OD2-N 2.86Å; T97-G103 VanDerWaalsContact OG1-CA 3.24Å; T97-G103 WeakPolarHBondContact OG1-CA 3.47Å; G103-Q140 PolarHBondContact O-NE2 3.2Å
104	G	98.1	Very high	98	Very high	19 Å²	19	53.5 Å²	53.5	20%	0.196	31%	0.312	C	S	.	.			trans	91.2	157.6	-175.5	0	0	0	0	0	113.1	D95 T97 S139	D95-G104 PolarHBondContact OD1-N 2.99Å; T97-G104 PolarHBondContact OG1-N 2.67Å; G104-S139 WeakPolarHBondContact CA-OG 3.04Å
105	R	98.6	Very high	98	Very high	102 Å²	102	55.7 Å²	55.7	39%	0.385	32%	0.322	S	S	.	.			trans	-157.4	151.1	173.4	63.5	176.1	-173.1	170.5	-0.9	110.6	Y75 F96 S139	Y75-R105 HydrophobicContact CE2-CG 4.25Å; F96-R105 HydrophobicContact CE2-CG 4.17Å; F96-R105 HydrophobicContact CZ-CG 3.77Å; F96-R105 WeakPolarHBondContact CZ-O 3.27Å; R105-S139 PolarHBondContact N-OG 3.36Å; R105-S139 VanDerWaalsContact N-OG 3.16Å; R105-S139 WeakPolarHBondContact O-CB 3.37Å
106	S	98.7	Very high	98	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-80.3	171.6	173.9	77.4	0	0	0	0	111.9	N64 Y108 G109 F112	N64-S106 WeakPolarHBondContact OD1-CA 3.41Å; N64-S106 VanDerWaalsContact OD1-CB 3.26Å; N64-S106 WeakPolarHBondContact OD1-CB 3.25Å; S106-Y108 PolarHBondContact O-N 2.93Å; S106-Y108 PolarHBondContact OG-N 3.26Å; S106-G109 CarbonylContact C-O 3.56Å; S106-G109 WeakPolarHBondContact CA-O 3.42Å; S106-G109 PolarHBondContact N-O 2.84Å; S106-G109 PolarHBondContact O-N 3.16Å; S106-G109 VanDerWaalsContact O-O 3.09Å; S106-G109 PolarHBondContact OG-N 2.67Å; S106-G109 PolarHBondContact OG-O 2.97Å; S106-F112 VanDerWaalsContact CB-CD1 3.48Å
107	I	98.8	Very high	98	Very high	40 Å²	40	58.9 Å²	58.9	21%	0.205	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-10	168.4	67.6	171.5	0	0	0	113.6	N64 A67 L68 K73	N64-I107 HydrophobicContact CB-CG1 4.23Å; N64-I107 PolarHBondContact OD1-N 3.46Å; A67-I107 HydrophobicContact CB-CD1 4.04Å; A67-I107 HydrophobicContact CB-CG2 3.74Å; L68-I107 HydrophobicContact CD2-CG2 4.34Å; L68-I107 HydrophobicContact CG-CG2 4.31Å; K73-I107 HydrophobicContact CG-CB 4.4Å; K73-I107 HydrophobicContact CG-CG2 3.82Å
108	Y	98.6	Very high	97.9	Very high	98 Å²	98	62 Å²	62	38%	0.384	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.8	-178.5	-48.9	-57.9	0	0	0	113	L60 N63 N64 S106 F112	L60-Y108 HydrophobicContact CB-CE2 4.38Å; L60-Y108 PolarHBondContact O-OH 3.21Å; N63-Y108 WeakPolarHBondContact CB-OH 3.31Å; N64-Y108 HydrophobicContact CB-CE2 3.86Å; S106-Y108 PolarHBondContact O-N 2.93Å; S106-Y108 PolarHBondContact OG-N 3.26Å; Y108-F112 HydrophobicContact CD2-CB 4.17Å; Y108-F112 HydrophobicContact CD2-CD1 4.16Å; Y108-F112 HydrophobicContact CD2-CD2 4.45Å; Y108-F112 HydrophobicContact CD2-CG 4.02Å
109	G	97.9	Very high	97.9	Very high	33 Å²	33	59.6 Å²	59.6	34%	0.34	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	127.6	-167.4	-171.9	0	0	0	0	0	111.5	S106 Q111	S106-G109 CarbonylContact C-O 3.56Å; S106-G109 WeakPolarHBondContact CA-O 3.42Å; S106-G109 PolarHBondContact N-O 2.84Å; S106-G109 PolarHBondContact O-N 3.16Å; S106-G109 VanDerWaalsContact O-O 3.09Å; S106-G109 PolarHBondContact OG-N 2.67Å; S106-G109 PolarHBondContact OG-O 2.97Å; G109-Q111 VanDerWaalsContact C-N 3.29Å; G109-Q111 PolarHBondContact O-N 2.8Å
110	N	95.9	Very high	97.8	Very high	127 Å²	127	63.8 Å²	63.8	68%	0.679	33%	0.334	S	S	*	.	S	Bend	trans	-60.6	-40.6	-178.2	-68.9	-11.1	0	0	0	112
111	Q	96.6	Very high	97.9	Very high	115 Å²	115	59.4 Å²	59.4	54%	0.537	31%	0.311	S	S	.	.			trans	-141.4	157.4	-178.4	-70.4	173.2	-13.4	0	0	111.6	G109 N137	G109-Q111 VanDerWaalsContact C-N 3.29Å; G109-Q111 PolarHBondContact O-N 2.8Å; Q111-N137 CarbonylContact C-O 3.53Å; Q111-N137 WeakPolarHBondContact CA-O 3.2Å
112	F	98.8	Very high	97.8	Very high	22 Å²	22	60.7 Å²	60.7	10%	0.096	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-141	158.3	170.4	70.6	-81.3	0	0	0	112	T61 S106 Y108 M129 D135 N137 G138	T61-F112 HydrophobicContact CG2-CZ 4.41Å; S106-F112 VanDerWaalsContact CB-CD1 3.48Å; Y108-F112 HydrophobicContact CD2-CB 4.17Å; Y108-F112 HydrophobicContact CD2-CD1 4.16Å; Y108-F112 HydrophobicContact CD2-CD2 4.45Å; Y108-F112 HydrophobicContact CD2-CG 4.02Å; F112-M129 HydrophobicContact CE1-CE 4.13Å; F112-M129 HydrophobicContact CZ-CE 4.1Å; F112-D135 CarbonylContact O-C 3.6Å; F112-N137 HydrophobicContact CD1-CB 3.78Å; F112-N137 WeakPolarHBondContact CD1-O 3.37Å; F112-N137 HydrophobicContact CD2-CB 4.13Å; F112-N137 HydrophobicContact CE1-CB 3.46Å; F112-N137 VanDerWaalsContact CE1-CB 3.46Å; F112-N137 WeakPolarHBondContact CE1-O 3.47Å; F112-N137 HydrophobicContact CE2-CB 3.83Å; F112-N137 HydrophobicContact CG-CB 4.11Å; F112-N137 HydrophobicContact CZ-CB 3.48Å; F112-N137 VanDerWaalsContact CZ-CB 3.48Å; F112-N137 PolarHBondContact N-O 3.41Å; F112-N137 WeakPolarHBondContact O-CB 3.03Å; F112-N137 PolarHBondContact O-N 3.2Å; F112-N137 PolarHBondContact O-ND2 3.3Å; F112-G138 WeakPolarHBondContact CE1-O 3.45Å
113	A	98.8	Very high	97.7	Very high	57 Å²	57	54.8 Å²	54.8	47%	0.471	28%	0.283	S	S	.	.			trans	-63.7	157.2	-174.6	0	0	0	0	0	113.8	E115 D135 N137	A113-E115 PolarHBondContact O-N 3.32Å; A113-D135 VanDerWaalsContact CA-OD1 3.28Å; A113-D135 WeakPolarHBondContact CA-OD1 3.44Å; A113-D135 HydrophobicContact CB-CB 4.29Å; A113-D135 WeakPolarHBondContact CB-OD1 3.48Å; A113-N137 PolarHBondContact O-ND2 3.03Å
114	D	98.8	Very high	97.7	Very high	26 Å²	26	56.1 Å²	56.1	14%	0.139	29%	0.292	C	S	.	.			trans	-67	109.9	170.7	-67.3	-47.9	0	0	0	109.6	F117 P134 D135 N137 V156	D114-F117 HydrophobicContact CB-CE1 4.1Å; D114-F117 HydrophobicContact CB-CE2 4.12Å; D114-F117 HydrophobicContact CB-CZ 3.51Å; D114-P134 WeakPolarHBondContact OD2-CA 3.45Å; D114-D135 PolarHBondContact N-OD1 2.89Å; D114-D135 PolarHBondContact OD2-N 3.48Å; D114-N137 WeakPolarHBondContact CA-ND2 3.31Å; D114-N137 PolarHBondContact N-ND2 3.05Å; D114-N137 PolarHBondContact OD1-ND2 3.39Å; D114-V156 HydrophobicContact CB-CG2 3.96Å
115	E	98.7	Very high	97.7	Very high	46 Å²	46	55.3 Å²	55.3	22%	0.215	28%	0.284	C	S	.	.			trans	-66.2	-44.5	-171.5	-176.4	169.4	-164.7	0	0	113.1	V58 P59 L60 T61 A113	V58-E115 VanDerWaalsContact C-CD 3.42Å; V58-E115 VanDerWaalsContact C-OE1 3.26Å; V58-E115 WeakPolarHBondContact CA-OE1 3.42Å; V58-E115 WeakPolarHBondContact CA-OE2 3.49Å; V58-E115 HydrophobicContact CB-CG 4.44Å; V58-E115 VanDerWaalsContact CB-OE2 3.27Å; V58-E115 WeakPolarHBondContact CB-OE2 3.22Å; V58-E115 HydrophobicContact CG1-CB 4.31Å; V58-E115 HydrophobicContact CG1-CG 4.22Å; P59-E115 WeakPolarHBondContact CD-OE1 3.33Å; P59-E115 VanDerWaalsContact CG-OE1 3.32Å; P59-E115 WeakPolarHBondContact CG-OE1 3.31Å; L60-E115 PolarHBondContact N-OE1 2.75Å; L60-E115 PolarHBondContact N-OE2 2.84Å; T61-E115 WeakPolarHBondContact CB-OE2 3.49Å; T61-E115 PolarHBondContact N-OE2 2.87Å; T61-E115 PolarHBondContact OG1-OE2 2.98Å; A113-E115 PolarHBondContact O-N 3.32Å
116	N	98.6	Very high	97.7	Very high	34 Å²	34	50.7 Å²	50.7	18%	0.182	27%	0.266	C	S	.	.			trans	-175.1	170.5	164	59.2	86.8	0	0	0	110.7	V57 V58 K118	V57-N116 PolarHBondContact O-ND2 2.84Å; V58-N116 WeakPolarHBondContact CG1-ND2 3.4Å; N116-K118 HydrophobicContact CB-CG 4.38Å; N116-K118 WeakPolarHBondContact OD1-CB 3.42Å; N116-K118 WeakPolarHBondContact OD1-CG 3.48Å; N116-K118 PolarHBondContact OD1-N 2.8Å
117	F	98.3	Very high	97.7	Very high	76 Å²	76	50.7 Å²	50.7	33%	0.333	27%	0.266	S	S	.	.			trans	-117.5	36	176.7	-53.6	-68.8	0	0	0	112.9	D114 L119 G153 V156	D114-F117 HydrophobicContact CB-CE1 4.1Å; D114-F117 HydrophobicContact CB-CE2 4.12Å; D114-F117 HydrophobicContact CB-CZ 3.51Å; F117-L119 VanDerWaalsContact C-N 3.32Å; F117-G153 WeakPolarHBondContact CE2-O 3.24Å; F117-G153 WeakPolarHBondContact CZ-O 3.4Å; F117-V156 HydrophobicContact CD1-CG2 4.45Å; F117-V156 HydrophobicContact CE1-CG2 4.05Å
118	K	96.9	Very high	97.7	Very high	152 Å²	152	48.8 Å²	48.8	66%	0.661	26%	0.257	S	S	*	.			trans	-66.8	-35.4	179.6	-69.7	173.7	-179.1	170.9	0	112.2	V57 N116	V57-K118 HydrophobicContact CG1-CB 4.13Å; V57-K118 HydrophobicContact CG1-CD 4.03Å; N116-K118 HydrophobicContact CB-CG 4.38Å; N116-K118 WeakPolarHBondContact OD1-CB 3.42Å; N116-K118 WeakPolarHBondContact OD1-CG 3.48Å; N116-K118 PolarHBondContact OD1-N 2.8Å
119	L	96.8	Very high	97.7	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	24%	0.238	C	C	.	.	S	Bend	trans	-91.4	152.3	179.4	-47.4	-177.7	0	0	0	110.4	P29 F54 V57 F117 V157 W207	P29-L119 HydrophobicContact CB-CD2 4.05Å; P29-L119 HydrophobicContact CG-CD2 4.38Å; F54-L119 HydrophobicContact CB-CD1 4Å; F54-L119 HydrophobicContact CD2-CD1 3.24Å; F54-L119 HydrophobicContact CE2-CD1 3.96Å; F54-L119 HydrophobicContact CG-CD1 3.94Å; V57-L119 HydrophobicContact CB-CD1 4.42Å; V57-L119 HydrophobicContact CB-CD2 4.39Å; V57-L119 HydrophobicContact CG1-CD1 4.25Å; V57-L119 HydrophobicContact CG1-CD2 3.86Å; V57-L119 HydrophobicContact CG1-CG 3.91Å; V57-L119 HydrophobicContact CG2-CD2 4.24Å; F117-L119 VanDerWaalsContact C-N 3.32Å; L119-V157 HydrophobicContact CB-CB 3.76Å; L119-V157 HydrophobicContact CB-CG1 3.72Å; L119-V157 HydrophobicContact CD1-CG1 4.21Å; L119-V157 WeakPolarHBondContact CD1-O 3.47Å; L119-W207 HydrophobicContact CB-CH2 4.18Å; L119-W207 HydrophobicContact CD2-CH2 3.09Å; L119-W207 HydrophobicContact CD2-CZ2 3.41Å; L119-W207 VanDerWaalsContact CD2-CZ2 3.41Å; L119-W207 HydrophobicContact CD2-CZ3 4.26Å; L119-W207 HydrophobicContact CG-CH2 4.17Å
120	K	97.1	Very high	97.8	Very high	114 Å²	114	43 Å²	43	50%	0.496	23%	0.226	S	C	.	.			trans	-127.5	161.4	-174.7	-67.5	-177.5	-177.8	177.4	0	112.1	M122 D152	K120-M122 VanDerWaalsContact C-N 3.27Å; K120-M122 HydrophobicContact CB-CG 3.86Å; K120-M122 PolarHBondContact O-N 2.94Å; K120-D152 WeakPolarHBondContact CA-OD1 3.49Å; K120-D152 HydrophobicContact CG-CB 4.38Å
121	H	97.6	Very high	97.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.204	C	C	.	.			trans	-82.9	70.2	179.3	-55.1	82.3	0	0	0	110.5	G123 S128 F142 R147 A148 D152 V157	H121-G123 VanDerWaalsContact C-N 3.31Å; H121-G123 PolarHBondContact O-N 2.91Å; H121-S128 WeakPolarHBondContact NE2-CB 3.38Å; H121-S128 PolarHBondContact NE2-OG 3.16Å; H121-F142 AromaticContact CD2-CE2 3.78Å; H121-F142 AromaticContact CD2-CZ 3.91Å; H121-F142 AromaticContact NE2-CE2 3.83Å; H121-F142 AromaticContact NE2-CZ 3.46Å; H121-F142 WeakPolarHBondContact NE2-CZ 3.23Å; H121-R147 WeakPolarHBondContact O-CG 3.33Å; H121-A148 HydrophobicContact CB-CB 4.08Å; H121-A148 WeakPolarHBondContact CB-O 3.04Å; H121-A148 PolarHBondContact O-N 3.16Å; H121-D152 IonicContact CE1-OD1 2.67Å; H121-D152 IonicContact CG-OD1 3.95Å; H121-D152 PolarHBondContact N-OD1 2.98Å; H121-D152 IonicContact ND1-OD1 2.92Å; H121-D152 PolarHBondContact ND1-OD1 3.48Å; H121-V157 WeakPolarHBondContact CE1-CG2 3.21Å; H121-V157 VanDerWaalsContact NE2-CG2 3.32Å; H121-V157 WeakPolarHBondContact NE2-CG2 3.49Å
122	M	95.1	Very high	97.9	Very high	51 Å²	51	37.9 Å²	37.9	25%	0.251	22%	0.216	S	C	.	.			trans	-79.1	-5.8	-165.2	-62.2	178.8	71.1	0	0	114.9	K120 W126 V204 E205 W207	K120-M122 VanDerWaalsContact C-N 3.27Å; K120-M122 HydrophobicContact CB-CG 3.86Å; K120-M122 PolarHBondContact O-N 2.94Å; M122-W126 HydrophobicContact CB-CZ2 4.01Å; M122-W126 HydrophobicContact CG-CZ2 4.3Å; M122-W126 HydrophobicContact SD-CZ2 4.15Å; M122-V204 HydrophobicContact CB-CG1 4.44Å; M122-V204 HydrophobicContact CE-CG1 3.47Å; M122-V204 VanDerWaalsContact CE-CG1 3.47Å; M122-V204 HydrophobicContact SD-CG1 3.48Å; M122-V204 WeakPolarHBondContact SD-CG1 3.47Å; M122-E205 WeakPolarHBondContact CE-O 3.42Å; M122-W207 HydrophobicContact SD-CE3 3.77Å; M122-W207 HydrophobicContact SD-CZ3 3.75Å
123	G	95.6	Very high	97.8	Very high	16 Å²	16	38 Å²	38	17%	0.165	22%	0.224	C	C	.	.	S	Bend	trans	170.9	-160.3	178.5	0	0	0	0	0	112.6	H121 W126 T144 S146	H121-G123 VanDerWaalsContact C-N 3.31Å; H121-G123 PolarHBondContact O-N 2.91Å; G123-W126 VanDerWaalsContact O-CD1 3.31Å; G123-T144 PolarHBondContact O-OG1 2.95Å; G123-S146 CarbonylContact C-O 3.54Å
124	A	97.4	Very high	97.8	Very high	45 Å²	45	40.3 Å²	40.3	37%	0.372	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	149.7	172.1	0	0	0	0	0	111.9	W126 T144 A145 M165	A124-W126 VanDerWaalsContact C-N 3.34Å; A124-W126 PolarHBondContact O-N 3.22Å; A124-T144 CarbonylContact C-O 3.22Å; A124-A145 WeakPolarHBondContact CB-O 3.2Å; A124-M165 HydrophobicContact CB-CE 3.94Å
125	G	98.1	Very high	97.8	Very high	2 Å²	2	43.3 Å²	43.3	2%	0.021	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	6.8	175.4	0	0	0	0	0	115	T144 K160 I161 M165	G125-T144 PolarHBondContact N-O 2.89Å; G125-T144 PolarHBondContact N-OG1 3.22Å; G125-K160 CarbonylContact O-C 3.45Å; G125-K160 WeakPolarHBondContact O-CA 3.35Å; G125-K160 WeakPolarHBondContact O-CG 3.5Å; G125-I161 WeakPolarHBondContact O-CG1 3.49Å; G125-I161 PolarHBondContact O-N 3.42Å; G125-M165 WeakPolarHBondContact CA-SD 3.26Å
126	W	98.5	Very high	97.8	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	139.9	172.2	-73.3	82.2	0	0	0	110.1	P29 F54 M122 G123 A124 I143 T144 V157 K160 V204 W207	P29-W126 HydrophobicContact CG-CH2 4.4Å; F54-W126 HydrophobicContact CE2-CE3 4.03Å; F54-W126 HydrophobicContact CE2-CH2 4.47Å; F54-W126 AromaticContact CE2-CZ3 3.55Å; F54-W126 HydrophobicContact CE2-CZ3 3.55Å; F54-W126 AromaticContact CZ-CZ3 3.99Å; F54-W126 HydrophobicContact CZ-CZ3 3.99Å; M122-W126 HydrophobicContact CB-CZ2 4.01Å; M122-W126 HydrophobicContact CG-CZ2 4.3Å; M122-W126 HydrophobicContact SD-CZ2 4.15Å; G123-W126 VanDerWaalsContact O-CD1 3.31Å; A124-W126 VanDerWaalsContact C-N 3.34Å; A124-W126 PolarHBondContact O-N 3.22Å; W126-I143 WeakPolarHBondContact O-CA 3.49Å; W126-T144 HydrophobicContact CB-CG2 4.47Å; W126-T144 PolarHBondContact N-OG1 2.99Å; W126-T144 PolarHBondContact O-N 2.84Å; W126-T144 PolarHBondContact O-OG1 3.19Å; W126-V157 HydrophobicContact CD2-CG1 4.37Å; W126-V157 HydrophobicContact CE3-CG1 3.33Å; W126-V157 HydrophobicContact CZ3-CG1 3.76Å; W126-K160 HydrophobicContact CD2-CD 4.32Å; W126-K160 HydrophobicContact CZ2-CD 4.19Å; W126-V204 HydrophobicContact CH2-CG1 4.4Å; W126-V204 HydrophobicContact CH2-CG2 3.87Å; W126-V204 HydrophobicContact CZ2-CB 4.42Å; W126-V204 HydrophobicContact CZ2-CG1 3.76Å; W126-V204 HydrophobicContact CZ2-CG2 3.69Å; W126-W207 HydrophobicContact CH2-CE3 4.38Å; W126-W207 HydrophobicContact CH2-CH2 4.45Å; W126-W207 AromaticContact CH2-CZ3 3.63Å; W126-W207 HydrophobicContact CH2-CZ3 3.63Å; W126-W207 HydrophobicContact CZ2-CZ3 4.4Å; W126-W207 HydrophobicContact CZ3-CZ3 4.42Å
127	V	98.9	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.5	-178.6	-167.4	0	0	0	0	109.3	I51 F141 F142 I143 F158 G159 I161	I51-V127 HydrophobicContact CD1-CG2 4.46Å; I51-V127 HydrophobicContact CG2-CB 4.35Å; I51-V127 HydrophobicContact CG2-CG2 3.71Å; V127-F141 HydrophobicContact CG1-CD2 4.11Å; V127-F142 WeakPolarHBondContact CA-O 3.3Å; V127-I143 HydrophobicContact CG1-CG1 4.42Å; V127-I143 HydrophobicContact CG2-CG1 4.21Å; V127-I143 HydrophobicContact CG2-CG2 4.5Å; V127-F158 HydrophobicContact CB-CE2 4.43Å; V127-F158 HydrophobicContact CB-CZ 4.35Å; V127-F158 HydrophobicContact CG1-CE1 4.05Å; V127-F158 HydrophobicContact CG1-CE2 3.83Å; V127-F158 HydrophobicContact CG1-CZ 3.45Å; V127-F158 VanDerWaalsContact CG1-CZ 3.45Å; V127-F158 PolarHBondContact O-N 2.83Å; V127-G159 PolarHBondContact N-O 2.99Å; V127-G159 PolarHBondContact O-N 2.92Å; V127-I161 HydrophobicContact CG2-CD1 4.15Å; V127-I161 HydrophobicContact CG2-CG1 4.43Å
128	S	98.9	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	152.9	-169.4	-171.8	0	0	0	0	111.6	H121 F141 F142 H155 V156 F158	H121-S128 WeakPolarHBondContact NE2-CB 3.38Å; H121-S128 PolarHBondContact NE2-OG 3.16Å; S128-F141 CarbonylContact O-C 3.41Å; S128-F141 VanDerWaalsContact O-CA 3.31Å; S128-F141 WeakPolarHBondContact O-CA 3.34Å; S128-F142 PolarHBondContact N-O 3.38Å; S128-F142 WeakPolarHBondContact O-CD1 3.37Å; S128-F142 PolarHBondContact O-N 2.67Å; S128-F142 WeakPolarHBondContact OG-CZ 3.02Å; S128-H155 WeakPolarHBondContact OG-CB 3.31Å; S128-V156 WeakPolarHBondContact CA-O 3.39Å; S128-V156 PolarHBondContact OG-O 2.81Å; S128-F158 VanDerWaalsContact C-CE1 3.45Å
129	M	98.9	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.8	-179	-68.4	-56.5	-62.9	0	0	110.9	T61 F112 N137 G138 Q140 F142 H155 V156 F158	T61-M129 HydrophobicContact CG2-CG 3.6Å; T61-M129 HydrophobicContact CG2-SD 3.81Å; F112-M129 HydrophobicContact CE1-CE 4.13Å; F112-M129 HydrophobicContact CZ-CE 4.1Å; M129-N137 WeakPolarHBondContact CB-OD1 3.18Å; M129-N137 HydrophobicContact CE-CB 4.05Å; M129-G138 WeakPolarHBondContact CE-O 3.34Å; M129-Q140 WeakPolarHBondContact CE-O 3.14Å; M129-F142 WeakPolarHBondContact O-CE1 3.31Å; M129-H155 WeakPolarHBondContact O-CB 3.47Å; M129-H155 PolarHBondContact O-ND1 2.93Å; M129-V156 HydrophobicContact CB-CB 4.45Å; M129-V156 HydrophobicContact CG-CB 4.28Å; M129-V156 PolarHBondContact N-O 2.96Å; M129-F158 HydrophobicContact CG-CD1 3.87Å; M129-F158 HydrophobicContact CG-CE1 3.89Å; M129-F158 HydrophobicContact SD-CD1 3.97Å; M129-F158 HydrophobicContact SD-CE1 3.5Å; M129-F158 VanDerWaalsContact SD-CE1 3.5Å; M129-F158 HydrophobicContact SD-CZ 4.21Å
130	A	98.8	Very high	98	Very high	11 Å²	11	31.5 Å²	31.5	9%	0.091	20%	0.201	C	C	.	.			trans	-78.5	144.1	163.2	0	0	0	0	0	109.3	Q140 F142	A130-Q140 HydrophobicContact CB-CB 3.76Å; A130-Q140 PolarHBondContact N-O 2.77Å; A130-F142 HydrophobicContact CB-CD1 4.35Å
131	N	98.3	Very high	98.1	Very high	38 Å²	38	26 Å²	26	20%	0.203	18%	0.178	C	C	.	.			trans	-148.9	167.8	178.1	67.3	34.2	0	0	0	110.2	G133 T136 K154 H155	N131-G133 PolarHBondContact OD1-N 3.3Å; N131-T136 WeakPolarHBondContact CB-OG1 3.16Å; N131-K154 PolarHBondContact ND2-O 3.46Å; N131-H155 PolarHBondContact OD1-CE1 3.37Å
132	A	97.1	Very high	98.2	Very high	96 Å²	96	26.4 Å²	26.4	79%	0.793	18%	0.179	S	C	*	.	S	Bend	trans	-112.2	26.7	177.6	0	0	0	0	0	111.4	T136	A132-T136 PolarHBondContact N-OG1 3.23Å
133	G	97.4	Very high	98.4	Very high	25 Å²	25	24 Å²	24	26%	0.258	17%	0.167	S	C	.	.	S	Bend	trans	133.9	178.5	-171.5	0	0	0	0	0	112	N131 T136	N131-G133 PolarHBondContact OD1-N 3.3Å; G133-T136 PolarHBondContact O-OG1 2.77Å; G133-T136 VanDerWaalsContact O-OG1 3.06Å
134	P	98.4	Very high	98.5	Very high	105 Å²	105	23.2 Å²	23.2	68%	0.682	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	139.5	176.7	-24.2	34.3	0	0	0	111.9	D114 T136	D114-P134 WeakPolarHBondContact OD2-CA 3.45Å; P134-T136 VanDerWaalsContact C-N 3.26Å; P134-T136 WeakPolarHBondContact O-CG2 3.27Å; P134-T136 PolarHBondContact O-N 2.7Å
135	D	98.4	Very high	98.5	Very high	89 Å²	89	21.7 Å²	21.7	48%	0.476	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	24	172.1	-58	-47	0	0	0	116.1	F112 A113 D114	F112-D135 CarbonylContact O-C 3.6Å; A113-D135 VanDerWaalsContact CA-OD1 3.28Å; A113-D135 WeakPolarHBondContact CA-OD1 3.44Å; A113-D135 HydrophobicContact CB-CB 4.29Å; A113-D135 WeakPolarHBondContact CB-OD1 3.48Å; D114-D135 PolarHBondContact N-OD1 2.89Å; D114-D135 PolarHBondContact OD2-N 3.48Å
136	T	98.6	Very high	98.5	Very high	28 Å²	28	23.1 Å²	23.1	17%	0.172	16%	0.157	C	C	.	.			trans	-110.8	35.1	179.2	71.6	0	0	0	0	113.2	N131 A132 G133 P134	N131-T136 WeakPolarHBondContact CB-OG1 3.16Å; A132-T136 PolarHBondContact N-OG1 3.23Å; G133-T136 PolarHBondContact O-OG1 2.77Å; G133-T136 VanDerWaalsContact O-OG1 3.06Å; P134-T136 VanDerWaalsContact C-N 3.26Å; P134-T136 WeakPolarHBondContact O-CG2 3.27Å; P134-T136 PolarHBondContact O-N 2.7Å
137	N	98.9	Very high	98.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-71	132.9	179.5	-60.1	-72.5	0	0	0	110.1	Q111 F112 A113 D114 M129	Q111-N137 CarbonylContact C-O 3.53Å; Q111-N137 WeakPolarHBondContact CA-O 3.2Å; F112-N137 HydrophobicContact CD1-CB 3.78Å; F112-N137 WeakPolarHBondContact CD1-O 3.37Å; F112-N137 HydrophobicContact CD2-CB 4.13Å; F112-N137 HydrophobicContact CE1-CB 3.46Å; F112-N137 VanDerWaalsContact CE1-CB 3.46Å; F112-N137 WeakPolarHBondContact CE1-O 3.47Å; F112-N137 HydrophobicContact CE2-CB 3.83Å; F112-N137 HydrophobicContact CG-CB 4.11Å; F112-N137 HydrophobicContact CZ-CB 3.48Å; F112-N137 VanDerWaalsContact CZ-CB 3.48Å; F112-N137 PolarHBondContact N-O 3.41Å; F112-N137 WeakPolarHBondContact O-CB 3.03Å; F112-N137 PolarHBondContact O-N 3.2Å; F112-N137 PolarHBondContact O-ND2 3.3Å; A113-N137 PolarHBondContact O-ND2 3.03Å; D114-N137 WeakPolarHBondContact CA-ND2 3.31Å; D114-N137 PolarHBondContact N-ND2 3.05Å; D114-N137 PolarHBondContact OD1-ND2 3.39Å; M129-N137 WeakPolarHBondContact CB-OD1 3.18Å; M129-N137 HydrophobicContact CE-CB 4.05Å
138	G	98.8	Very high	98.3	Very high	11 Å²	11	30.9 Å²	30.9	11%	0.113	19%	0.186	C	C	.	.			trans	-123.7	-115.2	179.3	0	0	0	0	0	111.6	N64 F112 M129	N64-G138 PolarHBondContact ND2-O 2.79Å; F112-G138 WeakPolarHBondContact CE1-O 3.45Å; M129-G138 WeakPolarHBondContact CE-O 3.34Å
139	S	98.9	Very high	98.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	21%	0.205	C	C	.	.	S	Bend	trans	-112.7	-15.1	171.1	57	0	0	0	0	113.8	Y77 G94 F96 G104 R105	Y77-S139 VanDerWaalsContact CE1-O 3.3Å; Y77-S139 WeakPolarHBondContact CE1-O 3.49Å; Y77-S139 PolarHBondContact OH-O 3.08Å; Y77-S139 VanDerWaalsContact OH-O 3.08Å; G94-S139 CarbonylContact O-C 3.58Å; G94-S139 VanDerWaalsContact O-CB 3.31Å; G94-S139 WeakPolarHBondContact O-CB 3.36Å; G94-S139 PolarHBondContact O-OG 2.9Å; F96-S139 VanDerWaalsContact CE1-OG 3.31Å; F96-S139 WeakPolarHBondContact CE1-OG 3.48Å; G104-S139 WeakPolarHBondContact CA-OG 3.04Å; R105-S139 PolarHBondContact N-OG 3.36Å; R105-S139 VanDerWaalsContact N-OG 3.16Å; R105-S139 WeakPolarHBondContact O-CB 3.37Å
140	Q	98.9	Very high	98.2	Very high	24 Å²	24	40.3 Å²	40.3	11%	0.112	23%	0.23	C	C	.	.			trans	-70	140.1	-178.5	-66.1	-174.9	45.4	0	0	110.7	H83 G93 D95 G101 G103 M129 A130	H83-Q140 PolarHBondContact NE2-OE1 3.18Å; G93-Q140 VanDerWaalsContact O-CA 3.25Å; G93-Q140 WeakPolarHBondContact O-CA 3.46Å; D95-Q140 HydrophobicContact CB-CG 3.96Å; G101-Q140 VanDerWaalsContact C-NE2 3.29Å; G101-Q140 PolarHBondContact O-NE2 2.92Å; G103-Q140 PolarHBondContact O-NE2 3.2Å; M129-Q140 WeakPolarHBondContact CE-O 3.14Å; A130-Q140 HydrophobicContact CB-CB 3.76Å; A130-Q140 PolarHBondContact N-O 2.77Å
141	F	98.9	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	163.4	-179.8	68.4	-87.2	0	0	0	109.4	F37 F65 Y77 F82 Q92 G93 V127 S128 I143 F158 I188	F37-F141 HydrophobicContact CD2-CZ 4.39Å; F37-F141 HydrophobicContact CE2-CE1 4.27Å; F37-F141 AromaticContact CE2-CE2 3.91Å; F37-F141 HydrophobicContact CE2-CE2 3.91Å; F37-F141 AromaticContact CE2-CZ 3.47Å; F37-F141 HydrophobicContact CE2-CZ 3.47Å; F37-F141 VanDerWaalsContact CE2-CZ 3.47Å; F37-F141 HydrophobicContact CZ-CE1 4.29Å; F37-F141 AromaticContact CZ-CZ 3.94Å; F37-F141 HydrophobicContact CZ-CZ 3.94Å; F65-F141 HydrophobicContact CE2-CB 4.15Å; F65-F141 AromaticContact CE2-CD1 3.64Å; F65-F141 HydrophobicContact CE2-CD1 3.64Å; F65-F141 HydrophobicContact CE2-CD2 4.16Å; F65-F141 HydrophobicContact CE2-CE1 4.03Å; F65-F141 AromaticContact CE2-CG 3.71Å; F65-F141 HydrophobicContact CE2-CG 3.71Å; F65-F141 HydrophobicContact CE2-CZ 4.45Å; F65-F141 HydrophobicContact CZ-CD1 4.47Å; F65-F141 HydrophobicContact CZ-CE1 4.49Å; F65-F141 HydrophobicContact CZ-CG 4.47Å; Y77-F141 HydrophobicContact CD1-CE1 4.21Å; Y77-F141 HydrophobicContact CE1-CD1 4.1Å; Y77-F141 HydrophobicContact CE1-CE1 4.03Å; F82-F141 HydrophobicContact CE1-CE2 4.15Å; F82-F141 HydrophobicContact CE1-CZ 4.25Å; F82-F141 HydrophobicContact CZ-CZ 4.38Å; Q92-F141 WeakPolarHBondContact CA-O 3.5Å; G93-F141 PolarHBondContact N-O 3.03Å; G93-F141 PolarHBondContact O-N 3.03Å; V127-F141 HydrophobicContact CG1-CD2 4.11Å; S128-F141 CarbonylContact O-C 3.41Å; S128-F141 VanDerWaalsContact O-CA 3.31Å; S128-F141 WeakPolarHBondContact O-CA 3.34Å; F141-I143 HydrophobicContact CD2-CG1 4.28Å; F141-I143 HydrophobicContact CE2-CD1 4.21Å; F141-I143 HydrophobicContact CE2-CG1 4.09Å; F141-F158 HydrophobicContact CB-CE1 4.39Å; F141-F158 HydrophobicContact CB-CZ 4.21Å; F141-I188 HydrophobicContact CZ-CD1 4.14Å
142	F	98.9	Very high	98.2	Very high	8 Å²	8	41 Å²	41	4%	0.035	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.6	169	63.4	-89.4	0	0	0	111.7	M90 I91 Q92 H121 V127 S128 M129 A130 T144 L151 H155	M90-F142 HydrophobicContact CB-CB 4.34Å; M90-F142 HydrophobicContact CB-CD2 4.12Å; M90-F142 HydrophobicContact CG-CB 4.44Å; M90-F142 HydrophobicContact CG-CD2 4.5Å; M90-F142 HydrophobicContact SD-CB 3.87Å; I91-F142 CarbonylContact O-C 3.52Å; I91-F142 WeakPolarHBondContact O-CA 3.29Å; I91-F142 WeakPolarHBondContact O-CB 3.38Å; Q92-F142 HydrophobicContact CB-CB 4.04Å; H121-F142 AromaticContact CD2-CE2 3.78Å; H121-F142 AromaticContact CD2-CZ 3.91Å; H121-F142 AromaticContact NE2-CE2 3.83Å; H121-F142 AromaticContact NE2-CZ 3.46Å; H121-F142 WeakPolarHBondContact NE2-CZ 3.23Å; V127-F142 WeakPolarHBondContact CA-O 3.3Å; S128-F142 PolarHBondContact N-O 3.38Å; S128-F142 WeakPolarHBondContact O-CD1 3.37Å; S128-F142 PolarHBondContact O-N 2.67Å; S128-F142 WeakPolarHBondContact OG-CZ 3.02Å; M129-F142 WeakPolarHBondContact O-CE1 3.31Å; A130-F142 HydrophobicContact CB-CD1 4.35Å; F142-T144 HydrophobicContact CD2-CG2 4.08Å; F142-T144 HydrophobicContact CE2-CG2 3.84Å; F142-L151 HydrophobicContact CE2-CD1 3.74Å; F142-L151 HydrophobicContact CZ-CD1 3.6Å; F142-H155 HydrophobicContact CE1-CB 4.08Å; F142-H155 AromaticContact CE1-CG 3.95Å; F142-H155 AromaticContact CE1-ND1 3.87Å; F142-H155 HydrophobicContact CZ-CB 4.05Å
143	I	98.9	Very high	98.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.1	172.2	-51.4	175.2	0	0	0	106.7	M90 I91 W126 V127 F141 I161 V168	M90-I143 VanDerWaalsContact CA-O 3.22Å; M90-I143 WeakPolarHBondContact CA-O 3.46Å; M90-I143 WeakPolarHBondContact CB-O 3.48Å; I91-I143 HydrophobicContact CD1-CB 4.44Å; I91-I143 HydrophobicContact CD1-CD1 4.23Å; I91-I143 HydrophobicContact CG1-CB 3.88Å; I91-I143 HydrophobicContact CG1-CD1 4.43Å; I91-I143 HydrophobicContact CG1-CG1 4.38Å; I91-I143 PolarHBondContact N-O 3.32Å; I91-I143 PolarHBondContact O-N 3.46Å; W126-I143 WeakPolarHBondContact O-CA 3.49Å; V127-I143 HydrophobicContact CG1-CG1 4.42Å; V127-I143 HydrophobicContact CG2-CG1 4.21Å; V127-I143 HydrophobicContact CG2-CG2 4.5Å; F141-I143 HydrophobicContact CD2-CG1 4.28Å; F141-I143 HydrophobicContact CE2-CD1 4.21Å; F141-I143 HydrophobicContact CE2-CG1 4.09Å; I143-I161 HydrophobicContact CD1-CD1 3.83Å; I143-I161 HydrophobicContact CG1-CD1 4.45Å; I143-I161 HydrophobicContact CG2-CD1 3.88Å; I143-I161 HydrophobicContact CG2-CG1 3.66Å; I143-V168 HydrophobicContact CD1-CG2 4.27Å; I143-V168 HydrophobicContact CG2-CG1 4.08Å; I143-V168 HydrophobicContact CG2-CG2 4.18Å
144	T	98.8	Very high	98.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	138.8	178.9	59.4	0	0	0	0	110.9	F89 G123 A124 G125 W126 F142 S146	F89-T144 WeakPolarHBondContact O-CA 3.31Å; G123-T144 PolarHBondContact O-OG1 2.95Å; A124-T144 CarbonylContact C-O 3.22Å; G125-T144 PolarHBondContact N-O 2.89Å; G125-T144 PolarHBondContact N-OG1 3.22Å; W126-T144 HydrophobicContact CB-CG2 4.47Å; W126-T144 PolarHBondContact N-OG1 2.99Å; W126-T144 PolarHBondContact O-N 2.84Å; W126-T144 PolarHBondContact O-OG1 3.19Å; F142-T144 HydrophobicContact CD2-CG2 4.08Å; F142-T144 HydrophobicContact CE2-CG2 3.84Å; T144-S146 WeakPolarHBondContact CB-O 3.41Å
145	A	97.9	Very high	98.3	Very high	13 Å²	13	39.7 Å²	39.7	11%	0.107	20%	0.203	C	C	.	.	S	Bend	trans	-98	-17.3	167.9	0	0	0	0	0	112.2	F89 A124 E172	F89-A145 PolarHBondContact O-N 3.09Å; A124-A145 WeakPolarHBondContact CB-O 3.2Å; A145-E172 HydrophobicContact CB-CG 4.18Å; A145-E172 WeakPolarHBondContact CB-OE1 3.4Å; A145-E172 WeakPolarHBondContact CB-OE2 3.35Å
146	S	97.2	Very high	98.3	Very high	33 Å²	33	35.4 Å²	35.4	23%	0.231	18%	0.18	C	C	.	.	S	Bend	trans	-141.4	175.4	177.4	72.6	0	0	0	0	111.4	D88 G123 T144	D88-S146 VanDerWaalsContact O-CB 3.27Å; D88-S146 WeakPolarHBondContact O-CB 3.48Å; D88-S146 PolarHBondContact O-OG 2.94Å; G123-S146 CarbonylContact C-O 3.54Å; T144-S146 WeakPolarHBondContact CB-O 3.41Å
147	R	96.5	Very high	98.4	Very high	166 Å²	166	34.2 Å²	34.2	63%	0.626	17%	0.172	S	C	*	.			trans	-71.1	130.5	176.1	-167.4	-172.5	175.6	172	0.7	109.9	H121 W150	H121-R147 WeakPolarHBondContact O-CG 3.33Å; R147-W150 WeakPolarHBondContact O-CH2 3.43Å
148	A	97.1	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.			trans	-130.5	61.6	-173.5	0	0	0	0	0	113.5	F89 H121 W150 L151	F89-A148 HydrophobicContact CD2-CB 4.34Å; F89-A148 HydrophobicContact CE2-CB 3.93Å; H121-A148 HydrophobicContact CB-CB 4.08Å; H121-A148 WeakPolarHBondContact CB-O 3.04Å; H121-A148 PolarHBondContact O-N 3.16Å; A148-W150 HydrophobicContact CB-CH2 4.15Å; A148-W150 HydrophobicContact CB-CZ2 3.79Å; A148-W150 PolarHBondContact O-N 2.72Å; A148-W150 VanDerWaalsContact O-N 3.12Å; A148-L151 HydrophobicContact CB-CD1 3.95Å; A148-L151 HydrophobicContact CB-CG 4.23Å; A148-L151 WeakPolarHBondContact O-CB 3.25Å; A148-L151 PolarHBondContact O-N 2.91Å; A148-L151 VanDerWaalsContact O-N 3.12Å
149	P	97.4	Very high	98.3	Very high	60 Å²	60	33.7 Å²	33.7	39%	0.39	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-65.9	-18.8	-172.1	29.4	-35.9	0	0	0	113.9	L151 D152	P149-L151 PolarHBondContact O-N 2.85Å; P149-D152 WeakPolarHBondContact O-CB 3.41Å; P149-D152 PolarHBondContact O-N 3.18Å; P149-D152 VanDerWaalsContact O-N 3.13Å
150	W	98.3	Very high	98.3	Very high	139 Å²	139	35.7 Å²	35.7	53%	0.527	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-68.6	-12.2	176.3	56.8	86.4	0	0	0	113.8	F89 R147 A148 K154	F89-W150 AromaticContact CD2-CZ2 3.84Å; F89-W150 HydrophobicContact CD2-CZ2 3.84Å; F89-W150 AromaticContact CE2-CZ2 3.75Å; F89-W150 HydrophobicContact CE2-CZ2 3.75Å; F89-W150 AromaticContact CE2-NE1 3.9Å; F89-W150 AromaticContact CZ-NE1 4Å; R147-W150 WeakPolarHBondContact O-CH2 3.43Å; A148-W150 HydrophobicContact CB-CH2 4.15Å; A148-W150 HydrophobicContact CB-CZ2 3.79Å; A148-W150 PolarHBondContact O-N 2.72Å; A148-W150 VanDerWaalsContact O-N 3.12Å; W150-K154 PolarHBondContact O-NZ 3.42Å
151	L	98.4	Very high	98.3	Very high	20 Å²	20	35.1 Å²	35.1	11%	0.105	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-92.8	-11.5	173.8	-56.8	-176.1	0	0	0	113.1	F89 F142 A148 P149 G153 K154 H155	F89-L151 HydrophobicContact CE2-CD1 3.83Å; F89-L151 HydrophobicContact CZ-CD1 3.94Å; F142-L151 HydrophobicContact CE2-CD1 3.74Å; F142-L151 HydrophobicContact CZ-CD1 3.6Å; A148-L151 HydrophobicContact CB-CD1 3.95Å; A148-L151 HydrophobicContact CB-CG 4.23Å; A148-L151 WeakPolarHBondContact O-CB 3.25Å; A148-L151 PolarHBondContact O-N 2.91Å; A148-L151 VanDerWaalsContact O-N 3.12Å; P149-L151 PolarHBondContact O-N 2.85Å; L151-G153 PolarHBondContact O-N 3.19Å; L151-K154 PolarHBondContact O-N 3.01Å; L151-K154 VanDerWaalsContact O-N 3.09Å; L151-H155 PolarHBondContact O-N 3.4Å
152	D	98.3	Very high	98.3	Very high	44 Å²	44	37.7 Å²	37.7	24%	0.235	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	135.3	179.4	-66.9	-14.3	0	0	0	110.4	K120 H121 P149 K154	K120-D152 WeakPolarHBondContact CA-OD1 3.49Å; K120-D152 HydrophobicContact CG-CB 4.38Å; H121-D152 IonicContact CE1-OD1 2.67Å; H121-D152 IonicContact CG-OD1 3.95Å; H121-D152 PolarHBondContact N-OD1 2.98Å; H121-D152 IonicContact ND1-OD1 2.92Å; H121-D152 PolarHBondContact ND1-OD1 3.48Å; P149-D152 WeakPolarHBondContact O-CB 3.41Å; P149-D152 PolarHBondContact O-N 3.18Å; P149-D152 VanDerWaalsContact O-N 3.13Å; D152-K154 PolarHBondContact O-N 2.87Å
153	G	98.2	Very high	98.2	Very high	43 Å²	43	42.9 Å²	42.9	44%	0.443	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	3.8	-175.6	0	0	0	0	0	115	F117 L151	F117-G153 WeakPolarHBondContact CE2-O 3.24Å; F117-G153 WeakPolarHBondContact CZ-O 3.4Å; L151-G153 PolarHBondContact O-N 3.19Å
154	K	98.6	Very high	98.2	Very high	124 Å²	124	43.8 Å²	43.8	54%	0.539	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-28.6	-179.7	-58.9	175.2	-172.9	160.5	0	113.7	N131 W150 L151 D152	N131-K154 PolarHBondContact ND2-O 3.46Å; W150-K154 PolarHBondContact O-NZ 3.42Å; L151-K154 PolarHBondContact O-N 3.01Å; L151-K154 VanDerWaalsContact O-N 3.09Å; D152-K154 PolarHBondContact O-N 2.87Å
155	H	98.8	Very high	98.2	Very high	30 Å²	30	46 Å²	46	14%	0.139	23%	0.231	C	C	.	.	S	Bend	trans	-126.1	131.4	179.1	-64.9	-87.3	0	0	0	109.7	S128 M129 N131 F142 L151 V157	S128-H155 WeakPolarHBondContact OG-CB 3.31Å; M129-H155 WeakPolarHBondContact O-CB 3.47Å; M129-H155 PolarHBondContact O-ND1 2.93Å; N131-H155 PolarHBondContact OD1-CE1 3.37Å; F142-H155 HydrophobicContact CE1-CB 4.08Å; F142-H155 AromaticContact CE1-CG 3.95Å; F142-H155 AromaticContact CE1-ND1 3.87Å; F142-H155 HydrophobicContact CZ-CB 4.05Å; L151-H155 PolarHBondContact O-N 3.4Å; H155-V157 PolarHBondContact O-N 3.01Å; H155-V157 VanDerWaalsContact O-N 3.16Å
156	V	98.9	Very high	98.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.			trans	-73.5	106.8	179.7	-178.9	0	0	0	0	109.1	V58 T61 D114 F117 S128 M129 F158	V58-V156 HydrophobicContact CG1-CG1 3.88Å; T61-V156 HydrophobicContact CG2-CG1 4.22Å; D114-V156 HydrophobicContact CB-CG2 3.96Å; F117-V156 HydrophobicContact CD1-CG2 4.45Å; F117-V156 HydrophobicContact CE1-CG2 4.05Å; S128-V156 WeakPolarHBondContact CA-O 3.39Å; S128-V156 PolarHBondContact OG-O 2.81Å; M129-V156 HydrophobicContact CB-CB 4.45Å; M129-V156 HydrophobicContact CG-CB 4.28Å; M129-V156 PolarHBondContact N-O 2.96Å; V156-F158 WeakPolarHBondContact O-CD1 3.3Å
157	V	98.8	Very high	98.3	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133	169.2	173.4	0	0	0	0	108.5	L119 H121 W126 H155	L119-V157 HydrophobicContact CB-CB 3.76Å; L119-V157 HydrophobicContact CB-CG1 3.72Å; L119-V157 HydrophobicContact CD1-CG1 4.21Å; L119-V157 WeakPolarHBondContact CD1-O 3.47Å; H121-V157 WeakPolarHBondContact CE1-CG2 3.21Å; H121-V157 VanDerWaalsContact NE2-CG2 3.32Å; H121-V157 WeakPolarHBondContact NE2-CG2 3.49Å; W126-V157 HydrophobicContact CD2-CG1 4.37Å; W126-V157 HydrophobicContact CE3-CG1 3.33Å; W126-V157 HydrophobicContact CZ3-CG1 3.76Å; H155-V157 PolarHBondContact O-N 3.01Å; H155-V157 VanDerWaalsContact O-N 3.16Å
158	F	98.8	Very high	98.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	-5.8	-174.2	67.9	-95.8	0	0	0	115.1	L53 F54 V58 T61 V62 F65 V127 S128 M129 F141 V156	L53-F158 HydrophobicContact CD2-CD2 3.73Å; L53-F158 HydrophobicContact CD2-CE2 3.77Å; F54-F158 WeakPolarHBondContact CD2-O 3.31Å; F54-F158 PolarHBondContact N-O 3.34Å; V58-F158 HydrophobicContact CG2-CB 3.6Å; T61-F158 HydrophobicContact CG2-CB 3.67Å; T61-F158 HydrophobicContact CG2-CD1 3.67Å; T61-F158 HydrophobicContact CG2-CD2 4.48Å; T61-F158 HydrophobicContact CG2-CE1 4.43Å; T61-F158 HydrophobicContact CG2-CG 3.7Å; V62-F158 HydrophobicContact CG2-CB 4.47Å; F65-F158 HydrophobicContact CB-CE2 3.94Å; F65-F158 HydrophobicContact CB-CZ 4.45Å; F65-F158 AromaticContact CD1-CE2 3.85Å; F65-F158 HydrophobicContact CD1-CE2 3.85Å; F65-F158 AromaticContact CD2-CE2 3.51Å; F65-F158 HydrophobicContact CD2-CE2 3.51Å; F65-F158 AromaticContact CD2-CZ 3.39Å; F65-F158 HydrophobicContact CD2-CZ 3.39Å; F65-F158 HydrophobicContact CE1-CE2 4.18Å; F65-F158 AromaticContact CE2-CE2 3.89Å; F65-F158 HydrophobicContact CE2-CE2 3.89Å; F65-F158 AromaticContact CE2-CZ 3.63Å; F65-F158 HydrophobicContact CE2-CZ 3.63Å; F65-F158 HydrophobicContact CG-CD2 4.45Å; F65-F158 AromaticContact CG-CE2 3.49Å; F65-F158 HydrophobicContact CG-CE2 3.49Å; F65-F158 VanDerWaalsContact CG-CE2 3.49Å; F65-F158 AromaticContact CG-CZ 3.9Å; F65-F158 HydrophobicContact CG-CZ 3.9Å; F65-F158 HydrophobicContact CZ-CE2 4.19Å; F65-F158 HydrophobicContact CZ-CZ 4.27Å; V127-F158 HydrophobicContact CB-CE2 4.43Å; V127-F158 HydrophobicContact CB-CZ 4.35Å; V127-F158 HydrophobicContact CG1-CE1 4.05Å; V127-F158 HydrophobicContact CG1-CE2 3.83Å; V127-F158 HydrophobicContact CG1-CZ 3.45Å; V127-F158 VanDerWaalsContact CG1-CZ 3.45Å; V127-F158 PolarHBondContact O-N 2.83Å; S128-F158 VanDerWaalsContact C-CE1 3.45Å; M129-F158 HydrophobicContact CG-CD1 3.87Å; M129-F158 HydrophobicContact CG-CE1 3.89Å; M129-F158 HydrophobicContact SD-CD1 3.97Å; M129-F158 HydrophobicContact SD-CE1 3.5Å; M129-F158 VanDerWaalsContact SD-CE1 3.5Å; M129-F158 HydrophobicContact SD-CZ 4.21Å; F141-F158 HydrophobicContact CB-CE1 4.39Å; F141-F158 HydrophobicContact CB-CZ 4.21Å; V156-F158 WeakPolarHBondContact O-CD1 3.3Å
159	G	98.6	Very high	98.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	177.4	178.3	0	0	0	0	0	114.1	G52 V127	G52-G159 CarbonylContact O-C 3.57Å; G52-G159 WeakPolarHBondContact O-CA 3.48Å; V127-G159 PolarHBondContact N-O 2.99Å; V127-G159 PolarHBondContact O-N 2.92Å
160	K	98.5	Very high	98.5	Very high	43 Å²	43	43.5 Å²	43.5	19%	0.187	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	141.9	172.9	-174.9	169.6	170.1	-171	0	110.6	G52 F54 G125 W126 L162 V202	G52-K160 PolarHBondContact N-O 3.38Å; G52-K160 PolarHBondContact O-N 3.1Å; F54-K160 HydrophobicContact CE2-CB 4.36Å; F54-K160 HydrophobicContact CZ-CB 3.72Å; G125-K160 CarbonylContact O-C 3.45Å; G125-K160 WeakPolarHBondContact O-CA 3.35Å; G125-K160 WeakPolarHBondContact O-CG 3.5Å; W126-K160 HydrophobicContact CD2-CD 4.32Å; W126-K160 HydrophobicContact CZ2-CD 4.19Å; K160-L162 PolarHBondContact O-N 3.11Å; K160-V202 HydrophobicContact CD-CG1 3.87Å
161	I	98.5	Very high	98.6	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.067	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	127.6	173.5	-55.8	-65.7	0	0	0	108.9	I49 I51 G125 V127 I143 E163 M165 V168	I49-I161 HydrophobicContact CG2-CD1 3.3Å; I49-I161 HydrophobicContact CG2-CG2 4.42Å; I51-I161 HydrophobicContact CD1-CD1 4.44Å; I51-I161 HydrophobicContact CG1-CD1 3.76Å; G125-I161 WeakPolarHBondContact O-CG1 3.49Å; G125-I161 PolarHBondContact O-N 3.42Å; V127-I161 HydrophobicContact CG2-CD1 4.15Å; V127-I161 HydrophobicContact CG2-CG1 4.43Å; I143-I161 HydrophobicContact CD1-CD1 3.83Å; I143-I161 HydrophobicContact CG1-CD1 4.45Å; I143-I161 HydrophobicContact CG2-CD1 3.88Å; I143-I161 HydrophobicContact CG2-CG1 3.66Å; I161-E163 VanDerWaalsContact CG2-O 3.23Å; I161-E163 WeakPolarHBondContact CG2-O 3.35Å; I161-M165 HydrophobicContact CB-CG 4.08Å; I161-M165 HydrophobicContact CB-SD 3.63Å; I161-M165 HydrophobicContact CG1-SD 3.69Å; I161-M165 HydrophobicContact CG2-CG 3.67Å; I161-M165 HydrophobicContact CG2-SD 3.69Å; I161-V168 HydrophobicContact CD1-CG2 4.31Å; I161-V168 HydrophobicContact CG1-CG2 4.42Å
162	L	97.9	Very high	98.6	Very high	54 Å²	54	36.4 Å²	36.4	28%	0.283	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-38	174.6	-58.6	178.8	0	0	0	110.9	V31 K34 V50 K160 F200 V202	V31-L162 HydrophobicContact CG1-CD1 4.48Å; V31-L162 HydrophobicContact CG2-CD2 4.48Å; K34-L162 HydrophobicContact CD-CD1 4.04Å; K34-L162 HydrophobicContact CG-CD1 4.06Å; V50-L162 HydrophobicContact CG1-CB 4.48Å; V50-L162 HydrophobicContact CG1-CD1 4.48Å; V50-L162 PolarHBondContact O-N 2.97Å; K160-L162 PolarHBondContact O-N 3.11Å; L162-F200 HydrophobicContact CD1-CE2 4.48Å; L162-F200 HydrophobicContact CD1-CZ 3.84Å; L162-F200 HydrophobicContact CD2-CE2 4.4Å; L162-V202 HydrophobicContact CD2-CG2 3.71Å
163	E	98.5	Very high	98.6	Very high	117 Å²	117	39.3 Å²	39.3	55%	0.547	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.6	-178.1	-55.4	170.1	-148.7	0	0	109.4	V50 I161	V50-E163 HydrophobicContact CB-CB 3.93Å; V50-E163 HydrophobicContact CB-CG 4.33Å; V50-E163 HydrophobicContact CG2-CB 4.05Å; V50-E163 PolarHBondContact N-O 3.31Å; V50-E163 PolarHBondContact O-N 3.04Å; I161-E163 VanDerWaalsContact CG2-O 3.23Å; I161-E163 WeakPolarHBondContact CG2-O 3.35Å
164	G	98.5	Very high	98.6	Very high	18 Å²	18	39.4 Å²	39.4	19%	0.186	21%	0.205	C	C	.	.			trans	85.6	22.9	175.7	0	0	0	0	0	115.6	R48 S166 V167 V168	R48-G164 WeakPolarHBondContact O-CA 3.28Å; G164-S166 PolarHBondContact O-N 3.29Å; G164-V167 WeakPolarHBondContact O-CA 3.28Å; G164-V167 VanDerWaalsContact O-CB 3.31Å; G164-V167 WeakPolarHBondContact O-CB 3.47Å; G164-V167 PolarHBondContact O-N 2.89Å; G164-V168 PolarHBondContact O-N 3.02Å
165	M	98.4	Very high	98.6	Very high	47 Å²	47	39.7 Å²	39.7	23%	0.232	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-29.9	169.7	-83.8	-56.1	-62.7	0	0	112.8	A124 G125 I161 V167 V168 H169	A124-M165 HydrophobicContact CB-CE 3.94Å; G125-M165 WeakPolarHBondContact CA-SD 3.26Å; I161-M165 HydrophobicContact CB-CG 4.08Å; I161-M165 HydrophobicContact CB-SD 3.63Å; I161-M165 HydrophobicContact CG1-SD 3.69Å; I161-M165 HydrophobicContact CG2-CG 3.67Å; I161-M165 HydrophobicContact CG2-SD 3.69Å; M165-V167 VanDerWaalsContact C-N 3.27Å; M165-V167 PolarHBondContact O-N 2.9Å; M165-V168 HydrophobicContact CE-CB 4.37Å; M165-V168 HydrophobicContact CE-CG1 4.22Å; M165-V168 WeakPolarHBondContact O-CB 3.2Å; M165-V168 PolarHBondContact O-N 3.37Å; M165-V168 HydrophobicContact SD-CB 4.3Å; M165-V168 HydrophobicContact SD-CG2 4.2Å; M165-H169 PolarHBondContact O-CD2 3.23Å; M165-H169 PolarHBondContact O-N 3.44Å
166	S	98.6	Very high	98.6	Very high	85 Å²	85	40.5 Å²	40.5	59%	0.594	22%	0.22	S	C	*	.	H	α-helix	trans	-61	-36.2	171.5	51.9	0	0	0	0	112.5	G164 H169 T170	G164-S166 PolarHBondContact O-N 3.29Å; S166-H169 PolarHBondContact O-N 3.01Å; S166-T170 PolarHBondContact O-N 3.29Å; S166-T170 PolarHBondContact O-OG1 3.45Å
167	V	98.8	Very high	98.5	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-68.7	-40.9	175.9	-174.2	0	0	0	0	110.6	I39 V46 I49 G164 M165 H169 T170 I171	I39-V167 HydrophobicContact CB-CG1 3.84Å; I39-V167 HydrophobicContact CG1-CG1 3.84Å; I39-V167 HydrophobicContact CG2-CG1 4.24Å; V46-V167 HydrophobicContact CG2-CG1 3.83Å; I49-V167 HydrophobicContact CD1-CB 4.4Å; I49-V167 HydrophobicContact CD1-CG1 4.15Å; I49-V167 HydrophobicContact CG1-CB 3.88Å; I49-V167 HydrophobicContact CG1-CG1 3.94Å; G164-V167 WeakPolarHBondContact O-CA 3.28Å; G164-V167 VanDerWaalsContact O-CB 3.31Å; G164-V167 WeakPolarHBondContact O-CB 3.47Å; G164-V167 PolarHBondContact O-N 2.89Å; M165-V167 VanDerWaalsContact C-N 3.27Å; M165-V167 PolarHBondContact O-N 2.9Å; V167-H169 VanDerWaalsContact C-N 3.32Å; V167-H169 PolarHBondContact O-N 3.39Å; V167-T170 WeakPolarHBondContact O-CB 3.49Å; V167-T170 PolarHBondContact O-N 3.44Å; V167-I171 WeakPolarHBondContact O-CG1 3.46Å; V167-I171 PolarHBondContact O-N 2.96Å; V167-I171 VanDerWaalsContact O-N 3.1Å
168	V	98.8	Very high	98.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57	-46.8	172.4	174	0	0	0	0	110.4	I49 I91 I143 I161 G164 M165 T170 I171 E172	I49-V168 HydrophobicContact CD1-CG2 3.76Å; I49-V168 HydrophobicContact CG1-CG2 4.21Å; I91-V168 HydrophobicContact CD1-CB 4.27Å; I91-V168 HydrophobicContact CD1-CG1 3.78Å; I91-V168 HydrophobicContact CD1-CG2 4.33Å; I91-V168 HydrophobicContact CG1-CG1 4.2Å; I143-V168 HydrophobicContact CD1-CG2 4.27Å; I143-V168 HydrophobicContact CG2-CG1 4.08Å; I143-V168 HydrophobicContact CG2-CG2 4.18Å; I161-V168 HydrophobicContact CD1-CG2 4.31Å; I161-V168 HydrophobicContact CG1-CG2 4.42Å; G164-V168 PolarHBondContact O-N 3.02Å; M165-V168 HydrophobicContact CE-CB 4.37Å; M165-V168 HydrophobicContact CE-CG1 4.22Å; M165-V168 WeakPolarHBondContact O-CB 3.2Å; M165-V168 PolarHBondContact O-N 3.37Å; M165-V168 HydrophobicContact SD-CB 4.3Å; M165-V168 HydrophobicContact SD-CG2 4.2Å; V168-T170 PolarHBondContact O-N 2.83Å; V168-I171 PolarHBondContact O-N 2.89Å; V168-E172 WeakPolarHBondContact O-CB 3.22Å; V168-E172 PolarHBondContact O-N 3.05Å
169	H	98.6	Very high	98.3	Very high	74 Å²	74	60.7 Å²	60.7	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-34.9	176.7	-69.1	-47.5	0	0	0	113	M165 S166 V167 I171 E172 L173	M165-H169 PolarHBondContact O-CD2 3.23Å; M165-H169 PolarHBondContact O-N 3.44Å; S166-H169 PolarHBondContact O-N 3.01Å; V167-H169 VanDerWaalsContact C-N 3.32Å; V167-H169 PolarHBondContact O-N 3.39Å; H169-I171 VanDerWaalsContact C-N 3.3Å; H169-I171 PolarHBondContact O-N 3.26Å; H169-E172 IonicContact CE1-OE2 3.55Å; H169-E172 IonicContact CG-OE2 3.81Å; H169-E172 IonicContact ND1-OE2 2.73Å; H169-E172 PolarHBondContact ND1-OE2 2.8Å; H169-E172 PolarHBondContact O-N 2.96Å; H169-L173 WeakPolarHBondContact O-CB 3.22Å; H169-L173 VanDerWaalsContact O-CG 3.25Å; H169-L173 WeakPolarHBondContact O-CG 3.39Å; H169-L173 PolarHBondContact O-N 3.22Å
170	T	98.7	Very high	98.3	Very high	54 Å²	54	63.1 Å²	63.1	33%	0.331	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-42.1	172.6	-60.6	0	0	0	0	111.5	V41 V46 S166 V167 V168 Q174	V41-T170 HydrophobicContact CG2-CG2 4.36Å; V46-T170 HydrophobicContact CB-CG2 4.31Å; V46-T170 HydrophobicContact CG1-CG2 4.11Å; S166-T170 PolarHBondContact O-N 3.29Å; S166-T170 PolarHBondContact O-OG1 3.45Å; V167-T170 WeakPolarHBondContact O-CB 3.49Å; V167-T170 PolarHBondContact O-N 3.44Å; V168-T170 PolarHBondContact O-N 2.83Å; T170-Q174 PolarHBondContact O-NE2 2.74Å
171	I	98.8	Very high	98.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.7	-45.5	175.3	-58.8	164.5	0	0	0	110.3	I39 I49 F82 V85 I91 V167 V168 H169 L173 Q174 C186	I39-I171 HydrophobicContact CG1-CD1 4.47Å; I39-I171 HydrophobicContact CG2-CD1 3.96Å; I39-I171 HydrophobicContact CG2-CG1 4.24Å; I49-I171 HydrophobicContact CD1-CD1 4.38Å; F82-I171 HydrophobicContact CB-CG2 4.12Å; F82-I171 HydrophobicContact CD2-CD1 3.9Å; F82-I171 HydrophobicContact CD2-CG2 4.49Å; F82-I171 HydrophobicContact CE2-CD1 3.75Å; F82-I171 HydrophobicContact CG-CD1 4.44Å; F82-I171 HydrophobicContact CG-CG2 4.21Å; F82-I171 HydrophobicContact CZ-CD1 4.18Å; V85-I171 HydrophobicContact CG2-CG2 3.85Å; I91-I171 HydrophobicContact CB-CG2 4.2Å; I91-I171 HydrophobicContact CD1-CB 4.06Å; I91-I171 HydrophobicContact CD1-CD1 3.69Å; I91-I171 HydrophobicContact CD1-CG2 4.07Å; I91-I171 HydrophobicContact CG2-CB 4.27Å; I91-I171 HydrophobicContact CG2-CG2 3.85Å; V167-I171 WeakPolarHBondContact O-CG1 3.46Å; V167-I171 PolarHBondContact O-N 2.96Å; V167-I171 VanDerWaalsContact O-N 3.1Å; V168-I171 PolarHBondContact O-N 2.89Å; H169-I171 VanDerWaalsContact C-N 3.3Å; H169-I171 PolarHBondContact O-N 3.26Å; I171-L173 PolarHBondContact O-N 3.35Å; I171-Q174 WeakPolarHBondContact O-CB 3.36Å; I171-Q174 WeakPolarHBondContact O-CG 3.32Å; I171-Q174 PolarHBondContact O-N 2.93Å; I171-C186 HydrophobicContact CG1-CB 4.39Å; I171-C186 HydrophobicContact CG2-CB 4.03Å
172	E	98.6	Very high	98.3	Very high	11 Å²	11	64.6 Å²	64.6	5%	0.051	34%	0.335	C	S	.	.	H	α-helix	trans	-57.1	-35.7	-178.8	-176.4	-170.3	-172.2	0	0	113.2	V85 D88 I91 A145 V168 H169 Q174	V85-E172 WeakPolarHBondContact CG1-O 3.25Å; D88-E172 WeakPolarHBondContact CA-OE1 3.41Å; D88-E172 PolarHBondContact N-OE1 3.46Å; I91-E172 HydrophobicContact CG2-CB 4.1Å; A145-E172 HydrophobicContact CB-CG 4.18Å; A145-E172 WeakPolarHBondContact CB-OE1 3.4Å; A145-E172 WeakPolarHBondContact CB-OE2 3.35Å; V168-E172 WeakPolarHBondContact O-CB 3.22Å; V168-E172 PolarHBondContact O-N 3.05Å; H169-E172 IonicContact CE1-OE2 3.55Å; H169-E172 IonicContact CG-OE2 3.81Å; H169-E172 IonicContact ND1-OE2 2.73Å; H169-E172 PolarHBondContact ND1-OE2 2.8Å; H169-E172 PolarHBondContact O-N 2.96Å; E172-Q174 VanDerWaalsContact C-N 3.3Å; E172-Q174 PolarHBondContact O-N 3.44Å
173	L	98.4	Very high	98.3	Very high	105 Å²	105	70 Å²	70	55%	0.55	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	4.7	-176.5	-67.5	173.3	0	0	0	113.9	K87 H169 I171	K87-L173 HydrophobicContact CD-CD2 4.21Å; H169-L173 WeakPolarHBondContact O-CB 3.22Å; H169-L173 VanDerWaalsContact O-CG 3.25Å; H169-L173 WeakPolarHBondContact O-CG 3.39Å; H169-L173 PolarHBondContact O-N 3.22Å; I171-L173 PolarHBondContact O-N 3.35Å
174	Q	98.5	Very high	98.3	Very high	45 Å²	45	66.6 Å²	66.6	21%	0.21	34%	0.34	C	S	.	.	S	Bend	trans	-68	142.7	173.1	-62.7	-51.8	-65.9	0	0	111.1	V41 T170 I171 E172 P182	V41-Q174 HydrophobicContact CG1-CG 4.36Å; T170-Q174 PolarHBondContact O-NE2 2.74Å; I171-Q174 WeakPolarHBondContact O-CB 3.36Å; I171-Q174 WeakPolarHBondContact O-CG 3.32Å; I171-Q174 PolarHBondContact O-N 2.93Å; E172-Q174 VanDerWaalsContact C-N 3.3Å; E172-Q174 PolarHBondContact O-N 3.44Å; Q174-P182 HydrophobicContact CB-CB 4.27Å
175	D	98.4	Very high	98.2	Very high	130 Å²	130	71.6 Å²	71.6	70%	0.695	36%	0.359	S	S	*	.			trans	-65.2	135.4	171.5	-69.8	-37.3	0	0	0	110.1	P182 Y183	D175-P182 WeakPolarHBondContact O-CA 3.33Å; D175-Y183 HydrophobicContact CB-CD2 3.96Å; D175-Y183 WeakPolarHBondContact O-CD2 3.27Å; D175-Y183 PolarHBondContact O-N 2.89Å
176	T	98.6	Very high	98.2	Very high	47 Å²	47	69.4 Å²	69.4	29%	0.288	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-121.8	155.6	-178.6	65.2	0	0	0	0	111.7	V85 L181 P182 Y183	V85-T176 HydrophobicContact CB-CG2 4.01Å; V85-T176 HydrophobicContact CG1-CG2 4.27Å; T176-L181 CarbonylContact C-O 3.45Å; T176-L181 VanDerWaalsContact CA-O 3.28Å; T176-L181 WeakPolarHBondContact CA-O 3.21Å; T176-P182 HydrophobicContact CG2-CG 4.24Å; T176-Y183 WeakPolarHBondContact O-CE2 3.49Å
177	N	97.8	Very high	98.3	Very high	43 Å²	43	66.2 Å²	66.2	23%	0.23	32%	0.324	C	S	.	.			trans	-81.3	-178.4	171	70.8	18.8	0	0	0	111.8	R179 N180 L181 Y183	N177-R179 PolarHBondContact O-N 3.22Å; N177-R179 WeakPolarHBondContact OD1-CA 3.18Å; N177-R179 WeakPolarHBondContact OD1-CB 3.35Å; N177-R179 PolarHBondContact OD1-N 3.34Å; N177-N180 WeakPolarHBondContact O-CA 2.85Å; N177-N180 PolarHBondContact O-N 3.09Å; N177-N180 PolarHBondContact OD1-N 2.9Å; N177-L181 PolarHBondContact N-O 2.82Å; N177-L181 WeakPolarHBondContact OD1-CB 3Å; N177-L181 PolarHBondContact OD1-N 3.02Å; N177-L181 VanDerWaalsContact OD1-N 3.1Å; N177-Y183 HydrophobicContact CB-CE1 3.99Å; N177-Y183 HydrophobicContact CB-CE2 4.38Å
178	D	97.3	Very high	98.3	Very high	168 Å²	168	65.9 Å²	65.9	90%	0.898	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-15.1	-179.2	-59.7	-26.3	0	0	0	114.9
179	R	96.2	Very high	98.3	Very high	214 Å²	214	68.3 Å²	68.3	81%	0.808	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	4.3	175.1	-60.1	-176.5	-178.7	-178.3	0.2	112.7	N177 L181	N177-R179 PolarHBondContact O-N 3.22Å; N177-R179 WeakPolarHBondContact OD1-CA 3.18Å; N177-R179 WeakPolarHBondContact OD1-CB 3.35Å; N177-R179 PolarHBondContact OD1-N 3.34Å; R179-L181 PolarHBondContact O-N 3.34Å
180	N	98.4	Very high	98.3	Very high	51 Å²	51	67.4 Å²	67.4	27%	0.273	34%	0.335	S	S	.	.	S	Bend	trans	64.9	21.4	-171.9	-46.8	-80	0	0	0	113.3	R84 V85 I86 N177	R84-N180 CarbonylContact C-O 3.58Å; R84-N180 WeakPolarHBondContact CA-O 3.32Å; R84-N180 HydrophobicContact CG-CB 4Å; V85-N180 PolarHBondContact N-O 3.4Å; V85-N180 WeakPolarHBondContact O-CB 3.47Å; I86-N180 HydrophobicContact CD1-CB 4.43Å; I86-N180 HydrophobicContact CG1-CB 3.8Å; N177-N180 WeakPolarHBondContact O-CA 2.85Å; N177-N180 PolarHBondContact O-N 3.09Å; N177-N180 PolarHBondContact OD1-N 2.9Å
181	L	98.3	Very high	98.3	Very high	75 Å²	75	65.5 Å²	65.5	39%	0.393	32%	0.324	S	S	.	.			trans	-83.9	125.7	172.9	172.4	71.4	0	0	0	108.6	H83 T176 N177 R179	H83-L181 HydrophobicContact CB-CD1 4.32Å; H83-L181 WeakPolarHBondContact O-CD1 3.46Å; T176-L181 CarbonylContact C-O 3.45Å; T176-L181 VanDerWaalsContact CA-O 3.28Å; T176-L181 WeakPolarHBondContact CA-O 3.21Å; N177-L181 PolarHBondContact N-O 2.82Å; N177-L181 WeakPolarHBondContact OD1-CB 3Å; N177-L181 PolarHBondContact OD1-N 3.02Å; N177-L181 VanDerWaalsContact OD1-N 3.1Å; R179-L181 PolarHBondContact O-N 3.34Å
182	P	98.3	Very high	98.3	Very high	13 Å²	13	65.9 Å²	65.9	8%	0.084	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-56.7	136.2	173.8	-27.2	36.6	0	0	0	112.8	V85 Q174 D175 T176 T184	V85-P182 HydrophobicContact CB-CG 3.85Å; V85-P182 HydrophobicContact CG2-CG 3.46Å; V85-P182 VanDerWaalsContact CG2-CG 3.46Å; Q174-P182 HydrophobicContact CB-CB 4.27Å; D175-P182 WeakPolarHBondContact O-CA 3.33Å; T176-P182 HydrophobicContact CG2-CG 4.24Å; P182-T184 VanDerWaalsContact CB-O 3.24Å; P182-T184 WeakPolarHBondContact CB-O 3.22Å; P182-T184 PolarHBondContact O-N 3.23Å
183	Y	98.3	Very high	98.3	Very high	166 Å²	166	69.9 Å²	69.9	65%	0.651	35%	0.345	S	S	*	.	S	Bend	trans	-67	-31	168.6	-70.8	-68.4	0	0	0	111.6	D175 T176 N177	D175-Y183 HydrophobicContact CB-CD2 3.96Å; D175-Y183 WeakPolarHBondContact O-CD2 3.27Å; D175-Y183 PolarHBondContact O-N 2.89Å; T176-Y183 WeakPolarHBondContact O-CE2 3.49Å; N177-Y183 HydrophobicContact CB-CE1 3.99Å; N177-Y183 HydrophobicContact CB-CE2 4.38Å
184	T	97.8	Very high	98.3	Very high	46 Å²	46	67.4 Å²	67.4	28%	0.282	33%	0.332	S	S	.	.	S	Bend	trans	-98.8	122.6	177.2	-59.4	0	0	0	0	110	V41 A42 P182 C186	V41-T184 HydrophobicContact CG1-CG2 3.56Å; A42-T184 HydrophobicContact CB-CG2 3.56Å; P182-T184 VanDerWaalsContact CB-O 3.24Å; P182-T184 WeakPolarHBondContact CB-O 3.22Å; P182-T184 PolarHBondContact O-N 3.23Å; T184-C186 PolarHBondContact O-N 3.03Å; T184-C186 PolarHBondContact O-SG 2.83Å; T184-C186 VanDerWaalsContact O-SG 3.42Å
185	E	97.4	Very high	98.1	Very high	124 Å²	124	73.1 Å²	73.1	58%	0.579	36%	0.358	S	S	*	.			trans	-63.2	128.5	180	-161.5	-176.9	-150.4	0	0	111.1	V41 A42 T81 V187	V41-E185 WeakPolarHBondContact CA-O 3.43Å; A42-E185 PolarHBondContact N-O 3.07Å; T81-E185 HydrophobicContact CG2-CG 3.92Å; T81-E185 WeakPolarHBondContact CG2-OE1 3.46Å; E185-V187 HydrophobicContact CB-CG2 4.43Å; E185-V187 HydrophobicContact CG-CG2 3.57Å
186	C	98.7	Very high	97.9	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.007	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	109.9	176.6	-62.2	0	0	0	0	108.3	T40 T81 F82 I171 T184	T40-C186 WeakPolarHBondContact O-CA 3.43Å; T81-C186 CarbonylContact C-O 3.52Å; T81-C186 VanDerWaalsContact CA-O 3.28Å; T81-C186 WeakPolarHBondContact CA-O 3.42Å; F82-C186 HydrophobicContact CB-CB 4.16Å; F82-C186 HydrophobicContact CD2-CB 4.29Å; F82-C186 PolarHBondContact N-O 2.82Å; I171-C186 HydrophobicContact CG1-CB 4.39Å; I171-C186 HydrophobicContact CG2-CB 4.03Å; T184-C186 PolarHBondContact O-N 3.03Å; T184-C186 PolarHBondContact O-SG 2.83Å; T184-C186 VanDerWaalsContact O-SG 3.42Å
187	V	98.9	Very high	97.6	Very high	17 Å²	17	75.1 Å²	75.1	10%	0.103	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.1	-166.3	-169.6	0	0	0	0	111.1	I39 T40 T81 E185 V189	I39-V187 WeakPolarHBondContact CA-O 3.5Å; T40-V187 PolarHBondContact N-O 3.38Å; T40-V187 PolarHBondContact O-N 3.33Å; T81-V187 HydrophobicContact CG2-CG2 4.26Å; E185-V187 HydrophobicContact CB-CG2 4.43Å; E185-V187 HydrophobicContact CG-CG2 3.57Å; V187-V189 HydrophobicContact CB-CG1 4.13Å; V187-V189 HydrophobicContact CG1-CG1 4.05Å; V187-V189 PolarHBondContact O-N 2.85Å
188	I	98.9	Very high	97.4	Very high	0 Å²	0	80.5 Å²	80.5	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	87.9	164.7	-57.5	171.9	0	0	0	107.6	F37 D38 I39 G79 S80 F82 F141 N190	F37-I188 HydrophobicContact CB-CG2 4Å; F37-I188 HydrophobicContact CD1-CD1 4.34Å; F37-I188 HydrophobicContact CD1-CG2 3.69Å; F37-I188 HydrophobicContact CD2-CD1 4.2Å; F37-I188 HydrophobicContact CE1-CD1 4.43Å; F37-I188 HydrophobicContact CE1-CG2 4.42Å; F37-I188 HydrophobicContact CE2-CD1 4.26Å; F37-I188 HydrophobicContact CG-CD1 4.25Å; F37-I188 HydrophobicContact CG-CG1 4.42Å; F37-I188 HydrophobicContact CG-CG2 4Å; F37-I188 HydrophobicContact CZ-CD1 4.38Å; D38-I188 CarbonylContact O-C 3.36Å; I39-I188 HydrophobicContact CD1-CB 4.37Å; I39-I188 HydrophobicContact CD1-CG1 3.83Å; G79-I188 PolarHBondContact N-O 2.91Å; S80-I188 PolarHBondContact O-N 3.07Å; F82-I188 HydrophobicContact CE2-CD1 4.15Å; F82-I188 HydrophobicContact CE2-CG1 3.73Å; F82-I188 HydrophobicContact CZ-CD1 4.23Å; F82-I188 HydrophobicContact CZ-CG1 4.26Å; F141-I188 HydrophobicContact CZ-CD1 4.14Å; I188-N190 VanDerWaalsContact C-N 3.28Å; I188-N190 WeakPolarHBondContact CG2-O 3.49Å; I188-N190 PolarHBondContact O-N 3Å
189	V	98.8	Very high	97.3	Very high	50 Å²	50	76.3 Å²	76.3	30%	0.303	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-23.4	-175.7	-68.7	0	0	0	0	113	D38 T40 K78 V187	D38-V189 HydrophobicContact CB-CG2 4.05Å; D38-V189 VanDerWaalsContact O-CG2 3.27Å; D38-V189 WeakPolarHBondContact O-CG2 3.47Å; D38-V189 PolarHBondContact O-N 3.29Å; T40-V189 HydrophobicContact CG2-CB 4.3Å; T40-V189 HydrophobicContact CG2-CG1 3.5Å; T40-V189 VanDerWaalsContact CG2-CG1 3.5Å; T40-V189 HydrophobicContact CG2-CG2 3.86Å; T40-V189 VanDerWaalsContact OG1-CG1 3.24Å; T40-V189 WeakPolarHBondContact OG1-CG1 3.32Å; K78-V189 VanDerWaalsContact CE-O 3.31Å; K78-V189 WeakPolarHBondContact CE-O 3.31Å; V187-V189 HydrophobicContact CB-CG1 4.13Å; V187-V189 HydrophobicContact CG1-CG1 4.05Å; V187-V189 PolarHBondContact O-N 2.85Å
190	N	98.8	Very high	97.2	Very high	56 Å²	56	69.6 Å²	69.6	30%	0.299	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149	173.1	-164.1	36.1	0	0	0	110.4	F37 D38 I188	F37-N190 WeakPolarHBondContact CA-O 3.38Å; D38-N190 HydrophobicContact CB-CB 3.95Å; D38-N190 PolarHBondContact N-O 3.32Å; D38-N190 PolarHBondContact O-N 3.46Å; D38-N190 WeakPolarHBondContact OD2-CB 3.4Å; D38-N190 PolarHBondContact OD2-ND2 2.8Å; I188-N190 VanDerWaalsContact C-N 3.28Å; I188-N190 WeakPolarHBondContact CG2-O 3.49Å; I188-N190 PolarHBondContact O-N 3Å
191	S	98.9	Very high	97	Very high	13 Å²	13	69.8 Å²	69.8	9%	0.091	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	158.2	-179.9	60.7	0	0	0	0	110.6	F36 A69 K78	F36-S191 VanDerWaalsContact O-CA 3.27Å; F36-S191 WeakPolarHBondContact O-CA 3.39Å; A69-S191 CarbonylContact O-C 3.55Å; A69-S191 WeakPolarHBondContact O-CB 3.3Å; A69-S191 PolarHBondContact O-OG 3.48Å; K78-S191 PolarHBondContact N-OG 2.78Å
192	G	98.8	Very high	96.6	Very high	8 Å²	8	67.1 Å²	67.1	8%	0.082	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.7	-176.2	174.3	0	0	0	0	0	113.4	V35 F36 A69	V35-G192 CarbonylContact C-O 3.57Å; V35-G192 VanDerWaalsContact CA-O 3.24Å; V35-G192 WeakPolarHBondContact CA-O 3.39Å; F36-G192 VanDerWaalsContact CD1-O 3.31Å; F36-G192 WeakPolarHBondContact CD1-O 3.25Å; F36-G192 VanDerWaalsContact CE1-CA 3.45Å; F36-G192 PolarHBondContact N-O 2.9Å; F36-G192 PolarHBondContact O-N 3.41Å; A69-G192 PolarHBondContact O-N 3.27Å
193	K	98.6	Very high	95.8	Very high	96 Å²	96	71 Å²	71	42%	0.417	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	142	177	176.9	173.9	171.8	153.8	0	110.5	E33 K34 V66 T70	E33-K193 IonicContact OE1-NZ 2.78Å; E33-K193 PolarHBondContact OE1-NZ 3.42Å; E33-K193 WeakPolarHBondContact OE2-CE 3.48Å; E33-K193 IonicContact OE2-NZ 2.74Å; E33-K193 PolarHBondContact OE2-NZ 3.17Å; K34-K193 CarbonylContact O-C 3.54Å; K34-K193 WeakPolarHBondContact O-CA 3.43Å; V66-K193 HydrophobicContact CG1-CB 4.4Å; V66-K193 HydrophobicContact CG1-CD 3.94Å; V66-K193 HydrophobicContact CG1-CG 4.47Å; T70-K193 HydrophobicContact CG2-CB 3.77Å
194	I	98.1	Very high	94.7	Very high	53 Å²	53	63.6 Å²	63.6	27%	0.272	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.8	166.8	-60.2	178.4	0	0	0	107.8	K34 F36 V50 V196	K34-I194 HydrophobicContact CB-CB 3.83Å; K34-I194 HydrophobicContact CB-CG2 4.48Å; K34-I194 HydrophobicContact CD-CG2 4.41Å; K34-I194 PolarHBondContact O-N 2.98Å; F36-I194 HydrophobicContact CB-CD1 3.87Å; F36-I194 HydrophobicContact CB-CG1 4.32Å; F36-I194 HydrophobicContact CD1-CD1 4.18Å; F36-I194 HydrophobicContact CD1-CG1 3.77Å; F36-I194 HydrophobicContact CG-CD1 4.4Å; F36-I194 HydrophobicContact CG-CG1 4.46Å; V50-I194 HydrophobicContact CG1-CD1 4.08Å; V50-I194 HydrophobicContact CG2-CD1 4.14Å; I194-V196 PolarHBondContact O-N 3.25Å
195	E	94.7	Very high	93.3	Very high	164 Å²	164	70.5 Å²	70.5	77%	0.766	35%	0.35	S	S	*	.			trans	-63.6	133.2	176.5	-170.3	-180	-178.6	0	0	111.5
196	V	94.6	Very high	91.7	Very high	27 Å²	27	67.9 Å²	67.9	16%	0.164	36%	0.357	C	S	.	.			trans	-107.6	107	172.5	-179.6	0	0	0	0	107.6	K34 I194 E198 F200	K34-V196 HydrophobicContact CB-CG2 3.94Å; K34-V196 HydrophobicContact CD-CG2 3.93Å; K34-V196 HydrophobicContact CG-CG2 3.58Å; I194-V196 PolarHBondContact O-N 3.25Å; V196-E198 VanDerWaalsContact CG1-O 3.32Å; V196-E198 WeakPolarHBondContact CG1-O 3.29Å; V196-E198 PolarHBondContact O-N 3.14Å; V196-F200 HydrophobicContact CG1-CD1 4.42Å; V196-F200 HydrophobicContact CG1-CE1 4.31Å
197	K	91.7	Very high	89.9	Confident	193 Å²	193	73.8 Å²	73.8	84%	0.839	38%	0.379	S	S	*	.	S	Bend	trans	-59.9	-45.4	-178.8	-68.3	-174.4	177.7	-177.4	0	112.2
198	E	93.4	Very high	89.4	Confident	156 Å²	156	76.7 Å²	76.7	73%	0.729	39%	0.393	S	S	*	.	S	Bend	trans	-141.9	135.6	177.7	-66.8	-175.1	177	0	0	109.6	V196	V196-E198 VanDerWaalsContact CG1-O 3.32Å; V196-E198 WeakPolarHBondContact CG1-O 3.29Å; V196-E198 PolarHBondContact O-N 3.14Å
199	P	95.3	Very high	88.9	Confident	80 Å²	80	80.7 Å²	80.7	52%	0.519	41%	0.413	S	S	.	.			trans	-60.2	138.4	174.8	-24.3	34.2	0	0	0	112.1	V31 T32	V31-P199 WeakPolarHBondContact O-CA 3.46Å; T32-P199 HydrophobicContact CG2-CB 4.46Å
200	F	95.3	Very high	88.4	Confident	72 Å²	72	82.4 Å²	82.4	32%	0.316	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.7	-178.1	63.1	-86	0	0	0	111.7	K30 V31 L162 V196 V202	K30-F200 CarbonylContact C-O 3.44Å; K30-F200 WeakPolarHBondContact CA-O 3.32Å; V31-F200 HydrophobicContact CB-CD1 4.37Å; V31-F200 HydrophobicContact CB-CD2 4.46Å; V31-F200 HydrophobicContact CB-CE1 3.9Å; V31-F200 HydrophobicContact CB-CE2 4.01Å; V31-F200 HydrophobicContact CB-CZ 3.7Å; V31-F200 HydrophobicContact CG1-CE1 3.78Å; V31-F200 HydrophobicContact CG1-CE2 4.47Å; V31-F200 HydrophobicContact CG1-CZ 3.69Å; V31-F200 HydrophobicContact CG2-CE2 4.07Å; V31-F200 HydrophobicContact CG2-CZ 4.08Å; V31-F200 PolarHBondContact N-O 3.22Å; V31-F200 PolarHBondContact O-N 3.32Å; L162-F200 HydrophobicContact CD1-CE2 4.48Å; L162-F200 HydrophobicContact CD1-CZ 3.84Å; L162-F200 HydrophobicContact CD2-CE2 4.4Å; V196-F200 HydrophobicContact CG1-CD1 4.42Å; V196-F200 HydrophobicContact CG1-CE1 4.31Å; F200-V202 HydrophobicContact CE2-CG2 4.1Å
201	I	93.6	Very high	87.8	Confident	56 Å²	56	83.9 Å²	83.9	29%	0.287	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.2	179.3	-64.8	171.3	0	0	0	109.5	R26 K30	R26-I201 HydrophobicContact CB-CB 4.37Å; R26-I201 HydrophobicContact CB-CG2 3.94Å; K30-I201 HydrophobicContact CG-CG1 3.93Å
202	V	89.1	Confident	87.1	Confident	18 Å²	18	88.4 Å²	88.4	11%	0.109	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-85.8	120.4	162.3	175.3	0	0	0	0	107.3	P29 V31 K160 L162 F200 V204	P29-V202 PolarHBondContact O-N 3.1Å; V31-V202 HydrophobicContact CG2-CG2 3.42Å; V31-V202 VanDerWaalsContact CG2-CG2 3.42Å; K160-V202 HydrophobicContact CD-CG1 3.87Å; L162-V202 HydrophobicContact CD2-CG2 3.71Å; F200-V202 HydrophobicContact CE2-CG2 4.1Å; V202-V204 PolarHBondContact O-N 3.32Å
203	D	82.4	Confident	86.3	Confident	96 Å²	96	93.7 Å²	93.7	51%	0.513	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-68	128	179.8	-158.3	18.6	0	0	0	109.5	R26 V27	R26-D203 HydrophobicContact CB-CB 4.4Å; R26-D203 HydrophobicContact CG-CB 4.33Å; V27-D203 PolarHBondContact N-OD1 3.25Å
204	V	74.9	Confident	85.4	Confident	9 Å²	9	93.6 Å²	93.6	6%	0.055	48%	0.476	C	S	.	.			trans	-127.3	113.6	179.4	-176.5	0	0	0	0	107.8	V27 M122 W126 V202 G206 W207	V27-V204 PolarHBondContact O-N 3.48Å; M122-V204 HydrophobicContact CB-CG1 4.44Å; M122-V204 HydrophobicContact CE-CG1 3.47Å; M122-V204 VanDerWaalsContact CE-CG1 3.47Å; M122-V204 HydrophobicContact SD-CG1 3.48Å; M122-V204 WeakPolarHBondContact SD-CG1 3.47Å; W126-V204 HydrophobicContact CH2-CG1 4.4Å; W126-V204 HydrophobicContact CH2-CG2 3.87Å; W126-V204 HydrophobicContact CZ2-CB 4.42Å; W126-V204 HydrophobicContact CZ2-CG1 3.76Å; W126-V204 HydrophobicContact CZ2-CG2 3.69Å; V202-V204 PolarHBondContact O-N 3.32Å; V204-G206 PolarHBondContact O-N 3.47Å; V204-W207 HydrophobicContact CB-CB 4.22Å; V204-W207 HydrophobicContact CB-CD2 4.49Å; V204-W207 HydrophobicContact CB-CE3 3.78Å; V204-W207 HydrophobicContact CG1-CE3 3.79Å; V204-W207 HydrophobicContact CG1-CZ3 4.46Å; V204-W207 HydrophobicContact CG2-CE3 4.03Å; V204-W207 PolarHBondContact O-N 3.32Å
205	E	68.1	Low	84.4	Confident	191 Å²	191	96.7 Å²	96.7	89%	0.893	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	121	177.1	-167.8	174.8	-167.4	0	0	110.2	M122	M122-E205 WeakPolarHBondContact CE-O 3.42Å
206	G	63.3	Low	83.6	Confident	70 Å²	70	91.1 Å²	91.1	72%	0.722	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	23.7	179.9	0	0	0	0	0	115.4	V204	V204-G206 PolarHBondContact O-N 3.47Å
207	W	61.3	Low	82.6	Confident	125 Å²	125	96.9 Å²	96.9	47%	0.473	50%	0.496	S	S	.	.			trans	-59.2	0	168	-165.9	-89.4	0	0	0	113.1	V27 P29 L119 M122 W126 V204	V27-W207 HydrophobicContact CB-CB 4.22Å; V27-W207 HydrophobicContact CG1-CB 3.81Å; V27-W207 HydrophobicContact CG1-CG 4.01Å; P29-W207 HydrophobicContact CB-CZ2 4.5Å; P29-W207 HydrophobicContact CG-CH2 4.24Å; P29-W207 HydrophobicContact CG-CZ2 4.47Å; P29-W207 HydrophobicContact CG-CZ3 4.35Å; L119-W207 HydrophobicContact CB-CH2 4.18Å; L119-W207 HydrophobicContact CD2-CH2 3.09Å; L119-W207 HydrophobicContact CD2-CZ2 3.41Å; L119-W207 VanDerWaalsContact CD2-CZ2 3.41Å; L119-W207 HydrophobicContact CD2-CZ3 4.26Å; L119-W207 HydrophobicContact CG-CH2 4.17Å; M122-W207 HydrophobicContact SD-CE3 3.77Å; M122-W207 HydrophobicContact SD-CZ3 3.75Å; W126-W207 HydrophobicContact CH2-CE3 4.38Å; W126-W207 HydrophobicContact CH2-CH2 4.45Å; W126-W207 AromaticContact CH2-CZ3 3.63Å; W126-W207 HydrophobicContact CH2-CZ3 3.63Å; W126-W207 HydrophobicContact CZ2-CZ3 4.4Å; W126-W207 HydrophobicContact CZ3-CZ3 4.42Å; V204-W207 HydrophobicContact CB-CB 4.22Å; V204-W207 HydrophobicContact CB-CD2 4.49Å; V204-W207 HydrophobicContact CB-CE3 3.78Å; V204-W207 HydrophobicContact CG1-CE3 3.79Å; V204-W207 HydrophobicContact CG1-CZ3 4.46Å; V204-W207 HydrophobicContact CG2-CE3 4.03Å; V204-W207 PolarHBondContact O-N 3.32Å

Retrieved 207 of 207 residues in 182.9 ms (Link to these results)

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