G4VFQ0_SCHMA Loading...

Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession G4VFQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 213 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	47.6	Very low	52.8	Low	242 Å²	242	155.8 Å²	155.8	100%	1.192	86%	0.862	S	S	*	*				0	118.1	0	-75.8	177.7	-75.8	0	0	108.2
2	A	48.7	Very low	53	Low	107 Å²	107	154.8 Å²	154.8	88%	0.884	85%	0.853	S	S	*	*			trans	15.6	99	175.6	0	0	0	0	0	120.2
3	V	53.2	Low	53	Low	138 Å²	138	157.3 Å²	157.3	84%	0.836	86%	0.863	S	S	*	*			trans	-84	120	156.1	176	0	0	0	0	108.1	K5	V3-K5 PolarHBondContact O-N 3.34Å
4	L	50.4	Low	53.2	Low	163 Å²	163	152.1 Å²	152.1	85%	0.853	84%	0.844	S	S	*	*			trans	-64.9	111.1	178.6	-170.5	66.7	0	0	0	109.7	L6	L4-L6 PolarHBondContact O-N 3.29Å
5	K	56.4	Low	53.4	Low	189 Å²	189	151.8 Å²	151.8	82%	0.822	84%	0.838	S	S	*	*			trans	-73.4	113.4	177.8	-72.7	179.1	176	179.4	0	109.7	V3 L7	V3-K5 PolarHBondContact O-N 3.34Å; K5-L7 PolarHBondContact O-N 3.4Å
6	L	56.7	Low	53.6	Low	167 Å²	167	152 Å²	152	87%	0.874	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-55.8	124.1	169.1	-124.1	77.6	0	0	0	109.8	L4 C8	L4-L6 PolarHBondContact O-N 3.29Å; L6-C8 PolarHBondContact O-N 3.43Å
7	L	53.6	Low	53.7	Low	166 Å²	166	149.5 Å²	149.5	87%	0.869	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-63.9	125.6	170.3	-92.3	88.7	0	0	0	110	K5	K5-L7 PolarHBondContact O-N 3.4Å
8	C	53	Low	53.8	Low	104 Å²	104	151.9 Å²	151.9	70%	0.703	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-85.6	118.3	168.4	-169	0	0	0	0	108.5	L6 L10	L6-C8 PolarHBondContact O-N 3.43Å; C8-L10 VanDerWaalsContact C-N 3.3Å; C8-L10 PolarHBondContact O-N 3.43Å; C8-L10 VanDerWaalsContact O-N 3.15Å
9	P	53.9	Low	53.4	Low	126 Å²	126	146.8 Å²	146.8	82%	0.818	82%	0.817	S	S	*	*			trans	-85.3	81.6	166.9	33.2	-26.7	0	0	0	108	L11	P9-L11 PolarHBondContact O-N 3.15Å
10	L	51.6	Low	53.3	Low	157 Å²	157	148.6 Å²	148.6	82%	0.822	82%	0.823	S	S	*	*			trans	-88.1	85.1	160.9	-156.2	91.3	0	0	0	106.7	C8	C8-L10 VanDerWaalsContact C-N 3.3Å; C8-L10 PolarHBondContact O-N 3.43Å; C8-L10 VanDerWaalsContact O-N 3.15Å
11	L	55.5	Low	53.3	Low	155 Å²	155	149.1 Å²	149.1	81%	0.812	82%	0.823	S	S	*	*			trans	-139.3	101.2	169.7	-155	77.9	0	0	0	110.6	P9	P9-L11 PolarHBondContact O-N 3.15Å
12	L	55.3	Low	53.6	Low	144 Å²	144	148.7 Å²	148.7	75%	0.754	81%	0.808	S	S	*	*			trans	33.9	100.2	152.1	-87.6	73.6	0	0	0	117.4	S14	L12-S14 PolarHBondContact O-N 2.97Å
13	L	52.6	Low	53.7	Low	187 Å²	187	148.4 Å²	148.4	98%	0.979	80%	0.8	S	S	*	*			trans	-71.9	73	150.6	-137.8	90.3	0	0	0	108.5	I15	L13-I15 PolarHBondContact O-N 3.38Å
14	S	56.6	Low	53.9	Low	85 Å²	85	148.6 Å²	148.6	59%	0.594	79%	0.792	S	S	*	*			trans	-81.4	95	174.5	67.5	0	0	0	0	110	L12 I16	L12-S14 PolarHBondContact O-N 2.97Å; S14-I16 PolarHBondContact O-N 3.2Å
15	I	55.7	Low	54.6	Low	147 Å²	147	142 Å²	142	75%	0.754	76%	0.76	S	S	*	*			trans	36.1	84	139.8	-56.3	163.7	0	0	0	114	L13 C17	L13-I15 PolarHBondContact O-N 3.38Å; I15-C17 HydrophobicContact CG2-CB 3.7Å; I15-C17 PolarHBondContact O-N 2.94Å; I15-C17 VanDerWaalsContact O-N 3.07Å
16	I	56.4	Low	55.8	Low	155 Å²	155	140.6 Å²	140.6	80%	0.795	76%	0.762	S	S	*	*			trans	-79.9	69.5	155.1	-56.7	176.5	0	0	0	106.7	S14 F18	S14-I16 PolarHBondContact O-N 3.2Å; I16-F18 VanDerWaalsContact C-N 3.26Å; I16-F18 HydrophobicContact CG2-CD2 4.22Å
17	C	55.5	Low	57.5	Low	109 Å²	109	133.4 Å²	133.4	74%	0.736	73%	0.728	S	S	*	*			trans	-94.3	68.3	154.1	-84.3	0	0	0	0	106.4	I15 G19	I15-C17 HydrophobicContact CG2-CB 3.7Å; I15-C17 PolarHBondContact O-N 2.94Å; I15-C17 VanDerWaalsContact O-N 3.07Å; C17-G19 VanDerWaalsContact C-N 3.26Å; C17-G19 PolarHBondContact O-N 3.07Å
18	F	55.4	Low	59.5	Low	193 Å²	193	126.1 Å²	126.1	85%	0.846	69%	0.691	S	S	*	*			trans	-66.7	99.3	161.7	-105	-91	0	0	0	106.2	I16 L20	I16-F18 VanDerWaalsContact C-N 3.26Å; I16-F18 HydrophobicContact CG2-CD2 4.22Å; F18-L20 PolarHBondContact O-N 3Å
19	G	47.5	Very low	61.6	Low	56 Å²	56	125 Å²	125	58%	0.577	67%	0.674	S	S	*	*			trans	-49.8	136	179.8	0	0	0	0	0	110.7	C17 I21	C17-G19 VanDerWaalsContact C-N 3.26Å; C17-G19 PolarHBondContact O-N 3.07Å; G19-I21 PolarHBondContact O-N 2.76Å
20	L	50.4	Low	63.7	Low	181 Å²	181	119 Å²	119	95%	0.948	64%	0.635	S	S	*	*			trans	-60.9	75.2	154	-75.2	159.9	0	0	0	107.9	F18 R22	F18-L20 PolarHBondContact O-N 3Å; L20-R22 PolarHBondContact O-N 3.42Å
21	I	53.9	Low	66	Low	160 Å²	160	112.6 Å²	112.6	82%	0.821	60%	0.602	S	S	*	*			trans	-72	90.5	159.4	-58.6	176.7	0	0	0	104.2	G19 S23	G19-I21 PolarHBondContact O-N 2.76Å; I21-S23 PolarHBondContact O-N 3.42Å
22	R	54.3	Low	68	Low	233 Å²	233	106.5 Å²	106.5	88%	0.879	57%	0.571	S	S	*	*			trans	-58.4	110	168.9	-142.2	178.4	-171.5	176.9	1.6	105.3	L20 E24	L20-R22 PolarHBondContact O-N 3.42Å; R22-E24 PolarHBondContact O-N 3.03Å
23	S	50.7	Low	70.1	Confident	102 Å²	102	101.6 Å²	101.6	71%	0.713	54%	0.543	S	S	*	.			trans	-43.9	112.6	172.2	169.3	0	0	0	0	108.1	I21 A25	I21-S23 PolarHBondContact O-N 3.42Å; S23-A25 PolarHBondContact O-N 3.28Å
24	E	56.4	Low	72.3	Confident	142 Å²	142	92.7 Å²	92.7	66%	0.664	50%	0.497	S	S	*	.			trans	-55.8	129.8	171.3	-75.5	-162.8	164.5	0	0	107.2	R22 N26	R22-E24 PolarHBondContact O-N 3.03Å; E24-N26 PolarHBondContact O-N 3.23Å
25	A	65	Low	74.3	Confident	23 Å²	23	90.1 Å²	90.1	19%	0.19	48%	0.475	C	S	.	.			trans	-60	128.4	174.5	0	0	0	0	0	108.6	S23 G27 S205 T207	S23-A25 PolarHBondContact O-N 3.28Å; A25-G27 PolarHBondContact O-N 2.76Å; A25-S205 WeakPolarHBondContact O-CB 3.46Å; A25-S205 PolarHBondContact O-OG 3.26Å; A25-T207 HydrophobicContact CB-CG2 3.65Å
26	N	81.2	Confident	76.4	Confident	161 Å²	161	83.1 Å²	83.1	86%	0.861	44%	0.439	S	S	*	.	S	Bend	trans	-77.7	21.6	-177.5	-72.6	-35.9	0	0	0	114.2	E24	E24-N26 PolarHBondContact O-N 3.23Å
27	G	92.3	Very high	78.4	Confident	15 Å²	15	77.7 Å²	77.7	16%	0.155	41%	0.412	C	S	.	.	S	Bend	trans	-101.7	-172.7	-179.7	0	0	0	0	0	113.8	A25 V206	A25-G27 PolarHBondContact O-N 2.76Å; G27-V206 WeakPolarHBondContact CA-O 3.49Å; G27-V206 PolarHBondContact N-O 3.22Å
28	P	96.3	Very high	80.5	Confident	14 Å²	14	72.6 Å²	72.6	9%	0.091	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-62.9	150.3	-179.1	27.2	-35.1	0	0	0	111.9	F53 L123 W130 S205 V206	P28-F53 HydrophobicContact CB-CB 4.34Å; P28-F53 HydrophobicContact CB-CD1 3.67Å; P28-F53 HydrophobicContact CB-CD2 4.17Å; P28-F53 HydrophobicContact CB-CE1 3.92Å; P28-F53 HydrophobicContact CB-CE2 4.38Å; P28-F53 HydrophobicContact CB-CG 3.8Å; P28-F53 HydrophobicContact CB-CZ 4.25Å; P28-F53 HydrophobicContact CG-CD1 3.8Å; P28-F53 HydrophobicContact CG-CD2 4.06Å; P28-F53 HydrophobicContact CG-CE1 3.5Å; P28-F53 HydrophobicContact CG-CE2 3.76Å; P28-F53 HydrophobicContact CG-CG 4.06Å; P28-F53 HydrophobicContact CG-CZ 3.46Å; P28-F53 VanDerWaalsContact CG-CZ 3.46Å; P28-L123 HydrophobicContact CB-CD1 4.15Å; P28-L123 HydrophobicContact CB-CD2 3.99Å; P28-L123 HydrophobicContact CG-CD1 4.3Å; P28-L123 HydrophobicContact CG-CD2 4.01Å; P28-W130 HydrophobicContact CG-CH2 3.89Å; P28-W130 HydrophobicContact CG-CZ3 4.03Å; P28-S205 WeakPolarHBondContact O-CA 3.27Å; P28-V206 HydrophobicContact CG-CG2 4.1Å; P28-V206 PolarHBondContact O-N 3.34Å
29	K	97.4	Very high	82.5	Confident	80 Å²	80	65.9 Å²	65.9	35%	0.348	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.1	177.5	-65.4	-165.9	175.6	-161.9	0	110.9	P203 F204	K29-P203 HydrophobicContact CB-CB 4.4Å; K29-F204 CarbonylContact C-O 3.48Å; K29-F204 WeakPolarHBondContact CA-O 3.41Å
30	V	98.4	Very high	85	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	120.1	167.9	175	0	0	0	0	108.4	D32 K33 G51 L52 F53 V200 P203 F204 V206	V30-D32 VanDerWaalsContact CG1-O 3.32Å; V30-D32 WeakPolarHBondContact CG1-O 3.42Å; V30-K33 HydrophobicContact CG1-CG 4.08Å; V30-G51 VanDerWaalsContact CG1-CA 3.49Å; V30-L52 CarbonylContact C-O 3.39Å; V30-L52 WeakPolarHBondContact CA-O 3.3Å; V30-F53 HydrophobicContact CG2-CD1 4.27Å; V30-F53 HydrophobicContact CG2-CE1 3.96Å; V30-V200 HydrophobicContact CG1-CG2 4.33Å; V30-P203 WeakPolarHBondContact O-CA 2.86Å; V30-P203 WeakPolarHBondContact O-CB 3.29Å; V30-F204 HydrophobicContact CB-CD1 4.33Å; V30-F204 HydrophobicContact CB-CD2 4.4Å; V30-F204 HydrophobicContact CB-CE1 3.89Å; V30-F204 HydrophobicContact CB-CE2 3.98Å; V30-F204 HydrophobicContact CB-CZ 3.7Å; V30-F204 HydrophobicContact CG1-CE1 3.78Å; V30-F204 HydrophobicContact CG1-CE2 4.44Å; V30-F204 HydrophobicContact CG1-CZ 3.69Å; V30-F204 HydrophobicContact CG2-CE2 3.94Å; V30-F204 HydrophobicContact CG2-CZ 4.01Å; V30-F204 PolarHBondContact N-O 2.77Å; V30-F204 PolarHBondContact O-N 2.96Å; V30-V206 HydrophobicContact CG2-CG1 3.72Å
31	T	98.6	Very high	87.2	Confident	22 Å²	22	59.9 Å²	59.9	14%	0.135	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-22.1	178	58.6	0	0	0	0	113.3	L52 G54 K55 V200 P203	T31-L52 PolarHBondContact N-O 2.81Å; T31-L52 PolarHBondContact OG1-O 2.96Å; T31-G54 WeakPolarHBondContact OG1-CA 3.47Å; T31-G54 PolarHBondContact OG1-N 3.11Å; T31-K55 HydrophobicContact CG2-CB 4.39Å; T31-K55 HydrophobicContact CG2-CD 4.41Å; T31-K55 HydrophobicContact CG2-CG 3.73Å; T31-V200 WeakPolarHBondContact O-CB 3.35Å; T31-P203 HydrophobicContact CG2-CB 4.49Å; T31-P203 HydrophobicContact CG2-CG 4.48Å
32	D	98.6	Very high	89.3	Confident	27 Å²	27	54.8 Å²	54.8	14%	0.144	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	151.7	-177.4	-64.4	-98.3	0	0	0	107.6	V30 L52 K65 H197	V30-D32 VanDerWaalsContact CG1-O 3.32Å; V30-D32 WeakPolarHBondContact CG1-O 3.42Å; D32-L52 HydrophobicContact CB-CB 4.28Å; D32-L52 HydrophobicContact CB-CD1 4.34Å; D32-L52 PolarHBondContact O-N 3.24Å; D32-K65 IonicContact OD1-NZ 3.61Å; D32-H197 IonicContact OD1-CD2 2.81Å; D32-H197 IonicContact OD1-CE1 3.2Å; D32-H197 IonicContact OD1-NE2 3.78Å; D32-H197 PolarHBondContact OD1-NE2 2.89Å
33	K	98.8	Very high	91.4	Very high	41 Å²	41	51.3 Å²	51.3	18%	0.178	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	154	167.1	-73.6	-175.3	-60.4	173.9	0	109.5	V30 I49 I50 V166 H197 I198 V200	V30-K33 HydrophobicContact CG1-CG 4.08Å; K33-I49 HydrophobicContact CB-CG2 4.15Å; K33-I49 HydrophobicContact CD-CG2 3.84Å; K33-I49 HydrophobicContact CG-CG2 4.3Å; K33-I50 CarbonylContact C-O 3.59Å; K33-I50 WeakPolarHBondContact CA-O 3.07Å; K33-V166 HydrophobicContact CD-CG2 4.08Å; K33-H197 PolarHBondContact O-CD2 3.39Å; K33-H197 VanDerWaalsContact O-CD2 3.26Å; K33-I198 HydrophobicContact CB-CB 3.84Å; K33-I198 HydrophobicContact CB-CG2 4.26Å; K33-I198 PolarHBondContact N-O 3.46Å; K33-I198 PolarHBondContact O-N 3.39Å; K33-V200 HydrophobicContact CB-CG2 4.27Å; K33-V200 HydrophobicContact CD-CG2 4.28Å; K33-V200 HydrophobicContact CG-CG2 3.76Å
34	V	98.9	Very high	93.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155.8	164.2	-64.3	0	0	0	0	109.2	I49 I50 L52 F64 G196	V34-I49 WeakPolarHBondContact O-CA 3.37Å; V34-I50 HydrophobicContact CG2-CB 4.02Å; V34-I50 HydrophobicContact CG2-CD1 4.45Å; V34-I50 PolarHBondContact N-O 2.68Å; V34-I50 PolarHBondContact O-N 2.77Å; V34-L52 HydrophobicContact CG1-CD1 3.82Å; V34-L52 HydrophobicContact CG2-CD1 4.32Å; V34-L52 HydrophobicContact CG2-CD2 4.4Å; V34-F64 HydrophobicContact CG2-CD1 4Å; V34-F64 HydrophobicContact CG2-CE1 3.64Å; V34-G196 CarbonylContact C-O 3.21Å; V34-G196 WeakPolarHBondContact CA-O 3.46Å; V34-G196 WeakPolarHBondContact CB-O 3.5Å
35	F	98.9	Very high	95.7	Very high	31 Å²	31	47.2 Å²	47.2	14%	0.136	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.2	173.1	72.7	-87.9	0	0	0	111.5	D37 R47 I48 I49 C195 G196 I198	F35-D37 WeakPolarHBondContact CE2-OD2 3.38Å; F35-R47 HydrophobicContact CB-CG 4.09Å; F35-I48 CarbonylContact C-O 3.55Å; F35-I48 VanDerWaalsContact CA-O 3.22Å; F35-I48 WeakPolarHBondContact CA-O 3.17Å; F35-I49 HydrophobicContact CB-CG1 4.36Å; F35-C195 WeakPolarHBondContact O-CA 3.35Å; F35-C195 WeakPolarHBondContact O-CB 3.27Å; F35-G196 WeakPolarHBondContact CD1-O 3.1Å; F35-G196 VanDerWaalsContact CE1-CA 3.42Å; F35-G196 PolarHBondContact N-O 3.15Å; F35-G196 PolarHBondContact O-N 3.3Å; F35-I198 HydrophobicContact CB-CD1 3.94Å; F35-I198 HydrophobicContact CD1-CD1 3.91Å; F35-I198 HydrophobicContact CD1-CG1 3.94Å; F35-I198 HydrophobicContact CG-CD1 4.36Å
36	F	98.9	Very high	97.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.9	166.9	-62.8	-28.5	0	0	0	109.4	I38 R47 I48 I50 F64 Y81 F145 I192 C195	F36-I38 HydrophobicContact CB-CD1 3.79Å; F36-R47 CarbonylContact O-C 3.59Å; F36-R47 VanDerWaalsContact O-CA 3.31Å; F36-R47 WeakPolarHBondContact O-CA 3.45Å; F36-I48 PolarHBondContact N-O 2.81Å; F36-I48 PolarHBondContact O-N 3.03Å; F36-I50 HydrophobicContact CD2-CD1 3.93Å; F36-I50 HydrophobicContact CE2-CD1 3.69Å; F36-I50 HydrophobicContact CZ-CD1 4.44Å; F36-F64 HydrophobicContact CE2-CE1 4.37Å; F36-F64 AromaticContact CE2-CZ 3.87Å; F36-F64 HydrophobicContact CE2-CZ 3.87Å; F36-F64 AromaticContact CZ-CE1 3.81Å; F36-F64 HydrophobicContact CZ-CE1 3.81Å; F36-F64 HydrophobicContact CZ-CE2 4.43Å; F36-F64 AromaticContact CZ-CZ 3.49Å; F36-F64 HydrophobicContact CZ-CZ 3.49Å; F36-F64 VanDerWaalsContact CZ-CZ 3.49Å; F36-Y81 HydrophobicContact CE1-CD2 4.01Å; F36-Y81 AromaticContact CZ-CD2 3.91Å; F36-Y81 HydrophobicContact CZ-CD2 3.91Å; F36-Y81 HydrophobicContact CZ-CE2 4.39Å; F36-F145 HydrophobicContact CD2-CZ 4.37Å; F36-F145 HydrophobicContact CE2-CE1 4.25Å; F36-F145 AromaticContact CE2-CE2 3.94Å; F36-F145 HydrophobicContact CE2-CE2 3.94Å; F36-F145 AromaticContact CE2-CZ 3.49Å; F36-F145 HydrophobicContact CE2-CZ 3.49Å; F36-F145 VanDerWaalsContact CE2-CZ 3.49Å; F36-F145 HydrophobicContact CZ-CE1 4.36Å; F36-F145 HydrophobicContact CZ-CZ 4.03Å; F36-I192 HydrophobicContact CB-CG1 4.5Å; F36-I192 HydrophobicContact CB-CG2 4.06Å; F36-I192 HydrophobicContact CD1-CD1 4.24Å; F36-I192 HydrophobicContact CD1-CG2 3.79Å; F36-I192 HydrophobicContact CD2-CD1 4.01Å; F36-I192 HydrophobicContact CE1-CD1 4.33Å; F36-I192 HydrophobicContact CE2-CD1 4.08Å; F36-I192 HydrophobicContact CG-CD1 4.1Å; F36-I192 HydrophobicContact CG-CG1 4.36Å; F36-I192 HydrophobicContact CG-CG2 4.05Å; F36-I192 HydrophobicContact CZ-CD1 4.24Å; F36-C195 HydrophobicContact CD1-CB 3.49Å; F36-C195 VanDerWaalsContact CD1-CB 3.49Å; F36-C195 HydrophobicContact CE1-CB 3.82Å
37	D	98.9	Very high	98.1	Very high	41 Å²	41	45.2 Å²	45.2	22%	0.219	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	118	166	-67.6	-39.2	0	0	0	108.5	F35 R47 I192 A193 S194	F35-D37 WeakPolarHBondContact CE2-OD2 3.38Å; D37-R47 VanDerWaalsContact CG-NH2 3.29Å; D37-R47 IonicContact OD1-CZ 4Å; D37-R47 VanDerWaalsContact OD1-CZ 3.27Å; D37-R47 IonicContact OD1-NE 3.78Å; D37-R47 PolarHBondContact OD1-NE 3.4Å; D37-R47 IonicContact OD1-NH2 2.87Å; D37-R47 PolarHBondContact OD1-NH2 2.92Å; D37-R47 IonicContact OD2-CZ 2.7Å; D37-R47 IonicContact OD2-NE 3.76Å; D37-R47 IonicContact OD2-NH2 3.77Å; D37-R47 PolarHBondContact OD2-NH2 2.77Å; D37-I192 CarbonylContact O-C 3.53Å; D37-A193 PolarHBondContact O-N 3.18Å; D37-S194 PolarHBondContact N-O 3.23Å
38	I	98.9	Very high	98.4	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.2	-173.3	-54.6	-52.8	0	0	0	110.4	F36 L45 G46 I48 F86 I171 I175 I190 K191 I192	F36-I38 HydrophobicContact CB-CD1 3.79Å; I38-L45 HydrophobicContact CB-CB 4.34Å; I38-L45 HydrophobicContact CG2-CB 4.19Å; I38-L45 HydrophobicContact CG2-CD2 4.01Å; I38-L45 PolarHBondContact O-N 2.97Å; I38-G46 PolarHBondContact N-O 2.98Å; I38-G46 PolarHBondContact O-N 2.96Å; I38-I48 HydrophobicContact CD1-CD1 4.19Å; I38-I48 HydrophobicContact CG1-CD1 3.82Å; I38-I48 HydrophobicContact CG1-CG1 4.23Å; I38-F86 HydrophobicContact CD1-CE2 3.75Å; I38-F86 HydrophobicContact CD1-CZ 4.46Å; I38-I171 HydrophobicContact CB-CG2 3.96Å; I38-I171 HydrophobicContact CG1-CG2 3.82Å; I38-I171 HydrophobicContact CG2-CG2 4.43Å; I38-I175 HydrophobicContact CG1-CD1 4.27Å; I38-I175 HydrophobicContact CG2-CD1 3.99Å; I38-I175 HydrophobicContact CG2-CG1 4.34Å; I38-I190 HydrophobicContact CG2-CG2 3.93Å; I38-K191 WeakPolarHBondContact CA-O 3.46Å; I38-I192 HydrophobicContact CD1-CG1 4.06Å
39	E	98.7	Very high	98.6	Very high	51 Å²	51	44.6 Å²	44.6	24%	0.238	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.4	167	-75.2	174.1	-178.5	0	0	110.7	K43 I190 K191 A193	E39-K43 CarbonylContact C-O 3.58Å; E39-K43 WeakPolarHBondContact CA-O 3.33Å; E39-I190 WeakPolarHBondContact O-CA 3.21Å; E39-K191 PolarHBondContact N-O 3.5Å; E39-K191 PolarHBondContact O-N 3.45Å; E39-A193 HydrophobicContact CB-CB 4.28Å; E39-A193 HydrophobicContact CG-CB 3.62Å; E39-A193 WeakPolarHBondContact OE1-CB 3.33Å
40	V	98.7	Very high	98.6	Very high	16 Å²	16	40.8 Å²	40.8	10%	0.097	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.1	168.6	-178.2	0	0	0	0	108.1	G42 K43 L45 K188 S189 I190	V40-G42 PolarHBondContact O-N 2.84Å; V40-K43 PolarHBondContact N-O 3.21Å; V40-K43 WeakPolarHBondContact O-CB 3.09Å; V40-K43 PolarHBondContact O-N 2.8Å; V40-L45 HydrophobicContact CG2-CB 4.26Å; V40-L45 HydrophobicContact CG2-CD2 3.86Å; V40-L45 HydrophobicContact CG2-CG 4.47Å; V40-K188 HydrophobicContact CG1-CB 3.75Å; V40-K188 HydrophobicContact CG1-CD 3.56Å; V40-K188 HydrophobicContact CG1-CG 4.35Å; V40-S189 CarbonylContact C-O 3.58Å; V40-S189 WeakPolarHBondContact CA-O 3.49Å; V40-I190 HydrophobicContact CG2-CG1 4.38Å; V40-I190 HydrophobicContact CG2-CG2 4.48Å
41	D	97.8	Very high	98.6	Very high	96 Å²	96	40.8 Å²	40.8	51%	0.513	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	41.3	-172.5	-68.7	-23.1	0	0	0	113.4	K43 K188 S189	D41-K43 VanDerWaalsContact C-N 3.25Å; D41-K43 PolarHBondContact O-N 3.44Å; D41-K188 WeakPolarHBondContact OD2-CB 3.28Å; D41-K188 VanDerWaalsContact OD2-CG 3.28Å; D41-K188 WeakPolarHBondContact OD2-CG 3.39Å; D41-S189 PolarHBondContact N-O 3.11Å; D41-S189 PolarHBondContact OD1-N 2.86Å
42	G	97.6	Very high	98.6	Very high	52 Å²	52	39.7 Å²	39.7	54%	0.536	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	4	179.1	0	0	0	0	0	114.9	V40	V40-G42 PolarHBondContact O-N 2.84Å
43	K	98.4	Very high	98.6	Very high	160 Å²	160	38.4 Å²	38.4	70%	0.696	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	128	172.4	-63	-178.4	-176.9	177	0	109.7	E39 V40 D41 L45	E39-K43 CarbonylContact C-O 3.58Å; E39-K43 WeakPolarHBondContact CA-O 3.33Å; V40-K43 PolarHBondContact N-O 3.21Å; V40-K43 WeakPolarHBondContact O-CB 3.09Å; V40-K43 PolarHBondContact O-N 2.8Å; D41-K43 VanDerWaalsContact C-N 3.25Å; D41-K43 PolarHBondContact O-N 3.44Å; K43-L45 PolarHBondContact O-N 3.2Å
44	P	98.5	Very high	98.6	Very high	112 Å²	112	37.1 Å²	37.1	73%	0.727	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.7	129.2	175.5	-26.1	35	0	0	0	111.7
45	L	98.5	Very high	98.6	Very high	47 Å²	47	44 Å²	44	25%	0.246	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-43.8	175.6	-177.5	65.4	0	0	0	111.2	I38 V40 K43 I171 Q174 I175	I38-L45 HydrophobicContact CB-CB 4.34Å; I38-L45 HydrophobicContact CG2-CB 4.19Å; I38-L45 HydrophobicContact CG2-CD2 4.01Å; I38-L45 PolarHBondContact O-N 2.97Å; V40-L45 HydrophobicContact CG2-CB 4.26Å; V40-L45 HydrophobicContact CG2-CD2 3.86Å; V40-L45 HydrophobicContact CG2-CG 4.47Å; K43-L45 PolarHBondContact O-N 3.2Å; L45-I171 HydrophobicContact CD2-CG2 3.77Å; L45-I171 HydrophobicContact CG-CD1 4.46Å; L45-I171 HydrophobicContact CG-CG2 4.06Å; L45-Q174 HydrophobicContact CD1-CB 4.32Å; L45-Q174 HydrophobicContact CD2-CB 4.1Å; L45-I175 HydrophobicContact CD2-CG1 4.09Å
46	G	98.7	Very high	98.5	Very high	28 Å²	28	43.9 Å²	43.9	29%	0.289	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	153.8	-172.4	-179.8	0	0	0	0	0	112.8	I38	I38-G46 PolarHBondContact N-O 2.98Å; I38-G46 PolarHBondContact O-N 2.96Å
47	R	98.8	Very high	98.5	Very high	113 Å²	113	43.9 Å²	43.9	43%	0.426	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.8	-177.4	178.5	170.7	-73.1	-171	-3.3	111.4	F35 F36 D37 I49 G168	F35-R47 HydrophobicContact CB-CG 4.09Å; F36-R47 CarbonylContact O-C 3.59Å; F36-R47 VanDerWaalsContact O-CA 3.31Å; F36-R47 WeakPolarHBondContact O-CA 3.45Å; D37-R47 VanDerWaalsContact CG-NH2 3.29Å; D37-R47 IonicContact OD1-CZ 4Å; D37-R47 VanDerWaalsContact OD1-CZ 3.27Å; D37-R47 IonicContact OD1-NE 3.78Å; D37-R47 PolarHBondContact OD1-NE 3.4Å; D37-R47 IonicContact OD1-NH2 2.87Å; D37-R47 PolarHBondContact OD1-NH2 2.92Å; D37-R47 IonicContact OD2-CZ 2.7Å; D37-R47 IonicContact OD2-NE 3.76Å; D37-R47 IonicContact OD2-NH2 3.77Å; D37-R47 PolarHBondContact OD2-NH2 2.77Å; R47-I49 HydrophobicContact CG-CG1 4.08Å; R47-G168 WeakPolarHBondContact O-CA 3.44Å
48	I	98.9	Very high	98.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.5	166.3	-56.5	166.1	0	0	0	107.6	F35 F36 I38 I50 V165 I171 V172 I175	F35-I48 CarbonylContact C-O 3.55Å; F35-I48 VanDerWaalsContact CA-O 3.22Å; F35-I48 WeakPolarHBondContact CA-O 3.17Å; F36-I48 PolarHBondContact N-O 2.81Å; F36-I48 PolarHBondContact O-N 3.03Å; I38-I48 HydrophobicContact CD1-CD1 4.19Å; I38-I48 HydrophobicContact CG1-CD1 3.82Å; I38-I48 HydrophobicContact CG1-CG1 4.23Å; I48-I50 HydrophobicContact CG2-CD1 4.39Å; I48-I50 HydrophobicContact CG2-CG1 3.86Å; I48-V165 HydrophobicContact CG2-CG1 4.08Å; I48-V165 HydrophobicContact CG2-CG2 4.09Å; I48-I171 HydrophobicContact CD1-CB 4.41Å; I48-I171 HydrophobicContact CD1-CG2 4.13Å; I48-I171 HydrophobicContact CG1-CB 3.84Å; I48-I171 HydrophobicContact CG1-CG2 3.89Å; I48-V172 HydrophobicContact CD1-CG2 3.64Å; I48-V172 HydrophobicContact CG1-CG2 4.09Å; I48-V172 HydrophobicContact CG2-CG2 4.26Å; I48-I175 HydrophobicContact CD1-CD1 4.18Å
49	I	98.8	Very high	98.5	Very high	16 Å²	16	51.7 Å²	51.7	8%	0.082	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.5	169.6	-54.5	-172.5	0	0	0	108.8	K33 V34 F35 R47 V166 E167 I198	K33-I49 HydrophobicContact CB-CG2 4.15Å; K33-I49 HydrophobicContact CD-CG2 3.84Å; K33-I49 HydrophobicContact CG-CG2 4.3Å; V34-I49 WeakPolarHBondContact O-CA 3.37Å; F35-I49 HydrophobicContact CB-CG1 4.36Å; R47-I49 HydrophobicContact CG-CG1 4.08Å; I49-V166 HydrophobicContact CB-CG2 4.07Å; I49-V166 HydrophobicContact CG2-CG2 3.67Å; I49-V166 WeakPolarHBondContact O-CG2 3.46Å; I49-V166 PolarHBondContact O-N 2.92Å; I49-E167 HydrophobicContact CB-CB 4Å; I49-E167 HydrophobicContact CB-CG 4.47Å; I49-E167 HydrophobicContact CD1-CB 4.38Å; I49-E167 HydrophobicContact CG1-CB 4.22Å; I49-E167 PolarHBondContact N-O 3.2Å; I49-E167 PolarHBondContact O-N 2.81Å; I49-I198 HydrophobicContact CD1-CD1 4.24Å; I49-I198 HydrophobicContact CG2-CD1 4.32Å
50	I	98.9	Very high	98.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.2	-175.3	-50.1	171.7	0	0	0	108.5	K33 V34 F36 I48 L52 F64 L131 I147 K164 V165	K33-I50 CarbonylContact C-O 3.59Å; K33-I50 WeakPolarHBondContact CA-O 3.07Å; V34-I50 HydrophobicContact CG2-CB 4.02Å; V34-I50 HydrophobicContact CG2-CD1 4.45Å; V34-I50 PolarHBondContact N-O 2.68Å; V34-I50 PolarHBondContact O-N 2.77Å; F36-I50 HydrophobicContact CD2-CD1 3.93Å; F36-I50 HydrophobicContact CE2-CD1 3.69Å; F36-I50 HydrophobicContact CZ-CD1 4.44Å; I48-I50 HydrophobicContact CG2-CD1 4.39Å; I48-I50 HydrophobicContact CG2-CG1 3.86Å; I50-L52 HydrophobicContact CG2-CD2 4.04Å; I50-F64 HydrophobicContact CD1-CE1 4.38Å; I50-F64 HydrophobicContact CD1-CZ 4.49Å; I50-L131 HydrophobicContact CD1-CD2 4.25Å; I50-L131 HydrophobicContact CG2-CB 4.24Å; I50-L131 HydrophobicContact CG2-CD2 3.53Å; I50-L131 HydrophobicContact CG2-CG 4.47Å; I50-I147 HydrophobicContact CD1-CD1 4.15Å; I50-K164 CarbonylContact C-O 3.6Å; I50-V165 HydrophobicContact CG1-CG2 4.5Å
51	G	98.7	Very high	98.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136.4	167.8	0	0	0	0	0	111.5	V30 G163 K164	V30-G51 VanDerWaalsContact CG1-CA 3.49Å; G51-G163 CarbonylContact O-C 3.58Å; G51-G163 WeakPolarHBondContact O-CA 3.38Å; G51-K164 PolarHBondContact N-O 2.74Å; G51-K164 PolarHBondContact O-N 2.96Å
52	L	98.9	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.6	-176	-55.8	-178.2	0	0	0	111.5	V30 T31 D32 V34 I50 G54 V61 F64 K65 L131 F162	V30-L52 CarbonylContact C-O 3.39Å; V30-L52 WeakPolarHBondContact CA-O 3.3Å; T31-L52 PolarHBondContact N-O 2.81Å; T31-L52 PolarHBondContact OG1-O 2.96Å; D32-L52 HydrophobicContact CB-CB 4.28Å; D32-L52 HydrophobicContact CB-CD1 4.34Å; D32-L52 PolarHBondContact O-N 3.24Å; V34-L52 HydrophobicContact CG1-CD1 3.82Å; V34-L52 HydrophobicContact CG2-CD1 4.32Å; V34-L52 HydrophobicContact CG2-CD2 4.4Å; I50-L52 HydrophobicContact CG2-CD2 4.04Å; L52-G54 PolarHBondContact O-N 2.96Å; L52-V61 HydrophobicContact CB-CB 4.43Å; L52-V61 HydrophobicContact CB-CG1 3.74Å; L52-V61 HydrophobicContact CB-CG2 3.91Å; L52-V61 HydrophobicContact CD1-CG1 4.02Å; L52-F64 HydrophobicContact CD1-CD1 4.16Å; L52-F64 HydrophobicContact CD2-CD1 3.87Å; L52-F64 HydrophobicContact CD2-CE1 4.27Å; L52-K65 HydrophobicContact CD1-CB 4.34Å; L52-L131 HydrophobicContact CD2-CD2 3.99Å; L52-F162 HydrophobicContact CD2-CD2 4.19Å; L52-F162 HydrophobicContact CD2-CE2 4.22Å
53	F	98.6	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.			trans	-96	59.1	-170.8	-52	-42.3	0	0	0	113.4	P28 V30 K55 T56 V57 L123 W130 F162 G163 K164 V206	P28-F53 HydrophobicContact CB-CB 4.34Å; P28-F53 HydrophobicContact CB-CD1 3.67Å; P28-F53 HydrophobicContact CB-CD2 4.17Å; P28-F53 HydrophobicContact CB-CE1 3.92Å; P28-F53 HydrophobicContact CB-CE2 4.38Å; P28-F53 HydrophobicContact CB-CG 3.8Å; P28-F53 HydrophobicContact CB-CZ 4.25Å; P28-F53 HydrophobicContact CG-CD1 3.8Å; P28-F53 HydrophobicContact CG-CD2 4.06Å; P28-F53 HydrophobicContact CG-CE1 3.5Å; P28-F53 HydrophobicContact CG-CE2 3.76Å; P28-F53 HydrophobicContact CG-CG 4.06Å; P28-F53 HydrophobicContact CG-CZ 3.46Å; P28-F53 VanDerWaalsContact CG-CZ 3.46Å; V30-F53 HydrophobicContact CG2-CD1 4.27Å; V30-F53 HydrophobicContact CG2-CE1 3.96Å; F53-K55 PolarHBondContact O-N 3.29Å; F53-K55 VanDerWaalsContact O-N 3.09Å; F53-T56 PolarHBondContact O-N 3.16Å; F53-V57 HydrophobicContact CB-CG2 4.44Å; F53-V57 PolarHBondContact O-N 2.74Å; F53-V57 VanDerWaalsContact O-N 3.08Å; F53-L123 HydrophobicContact CB-CD1 4.19Å; F53-L123 HydrophobicContact CD2-CD1 3.25Å; F53-L123 HydrophobicContact CE2-CD1 3.84Å; F53-L123 HydrophobicContact CG-CD1 3.99Å; F53-W130 AromaticContact CE2-CE3 3.86Å; F53-W130 HydrophobicContact CE2-CE3 3.86Å; F53-W130 HydrophobicContact CE2-CH2 4.46Å; F53-W130 AromaticContact CE2-CZ3 3.48Å; F53-W130 HydrophobicContact CE2-CZ3 3.48Å; F53-W130 VanDerWaalsContact CE2-CZ3 3.48Å; F53-W130 HydrophobicContact CZ-CE3 4.23Å; F53-W130 HydrophobicContact CZ-CH2 4.38Å; F53-W130 AromaticContact CZ-CZ3 3.76Å; F53-W130 HydrophobicContact CZ-CZ3 3.76Å; F53-F162 WeakPolarHBondContact CD2-O 3.34Å; F53-F162 PolarHBondContact N-O 3.41Å; F53-G163 WeakPolarHBondContact CE2-O 3.09Å; F53-G163 VanDerWaalsContact CZ-C 3.46Å; F53-K164 HydrophobicContact CZ-CB 3.76Å; F53-V206 HydrophobicContact CE1-CG2 3.77Å; F53-V206 HydrophobicContact CZ-CG2 3.98Å
54	G	98.5	Very high	98.7	Very high	14 Å²	14	37 Å²	37	14%	0.144	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.8	-170.8	0	0	0	0	0	115.1	T31 L52 T56 P58	T31-G54 WeakPolarHBondContact OG1-CA 3.47Å; T31-G54 PolarHBondContact OG1-N 3.11Å; L52-G54 PolarHBondContact O-N 2.96Å; G54-T56 VanDerWaalsContact C-N 3.33Å; G54-P58 WeakPolarHBondContact O-CA 3.5Å; G54-P58 VanDerWaalsContact O-CB 3.31Å; G54-P58 WeakPolarHBondContact O-CB 3.32Å; G54-P58 WeakPolarHBondContact O-CD 3.38Å
55	K	97.7	Very high	98.7	Very high	145 Å²	145	33.1 Å²	33.1	63%	0.63	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-21.1	170.1	-72.8	-173.3	-179.1	-172.1	0	113.7	T31 F53	T31-K55 HydrophobicContact CG2-CB 4.39Å; T31-K55 HydrophobicContact CG2-CD 4.41Å; T31-K55 HydrophobicContact CG2-CG 3.73Å; F53-K55 PolarHBondContact O-N 3.29Å; F53-K55 VanDerWaalsContact O-N 3.09Å
56	T	98.2	Very high	98.7	Very high	27 Å²	27	33 Å²	33	17%	0.166	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-41.1	-175	-47.6	0	0	0	0	111.8	F53 G54 N120 K122 L123	F53-T56 PolarHBondContact O-N 3.16Å; G54-T56 VanDerWaalsContact C-N 3.33Å; T56-N120 PolarHBondContact O-ND2 3.48Å; T56-K122 HydrophobicContact CG2-CB 4.07Å; T56-K122 HydrophobicContact CG2-CD 4.12Å; T56-L123 HydrophobicContact CG2-CD1 3.98Å; T56-L123 HydrophobicContact CG2-CG 3.96Å
57	V	98.7	Very high	98.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.			trans	-139.3	63.9	-176	-77.6	0	0	0	0	110.4	F53 K59 T60 V61 E119 N120 V160 F162	F53-V57 HydrophobicContact CB-CG2 4.44Å; F53-V57 PolarHBondContact O-N 2.74Å; F53-V57 VanDerWaalsContact O-N 3.08Å; V57-K59 VanDerWaalsContact C-N 3.33Å; V57-K59 PolarHBondContact O-N 2.84Å; V57-T60 PolarHBondContact O-N 2.99Å; V57-V61 HydrophobicContact CG2-CG2 4.15Å; V57-V61 WeakPolarHBondContact O-CB 3.28Å; V57-V61 WeakPolarHBondContact O-CG2 3.47Å; V57-V61 PolarHBondContact O-N 3.34Å; V57-E119 VanDerWaalsContact C-CD 3.47Å; V57-E119 VanDerWaalsContact CA-CD 3.47Å; V57-E119 WeakPolarHBondContact CA-OE2 3.01Å; V57-E119 VanDerWaalsContact CB-OE2 3.31Å; V57-E119 WeakPolarHBondContact CB-OE2 3.21Å; V57-E119 HydrophobicContact CG1-CB 4.36Å; V57-E119 HydrophobicContact CG1-CG 4.33Å; V57-N120 WeakPolarHBondContact CG1-ND2 3.32Å; V57-V160 HydrophobicContact CG1-CG1 3.88Å; V57-F162 HydrophobicContact CG2-CB 3.52Å
58	P	98.7	Very high	98.7	Very high	72 Å²	72	26.3 Å²	26.3	47%	0.468	13%	0.131	S	C	.	.	H	α-helix	trans	-56	-38.8	-174.1	19.7	-32.4	0	0	0	114.4	G54 E62 E119	G54-P58 WeakPolarHBondContact O-CA 3.5Å; G54-P58 VanDerWaalsContact O-CB 3.31Å; G54-P58 WeakPolarHBondContact O-CB 3.32Å; G54-P58 WeakPolarHBondContact O-CD 3.38Å; P58-E62 VanDerWaalsContact O-CB 3.29Å; P58-E62 WeakPolarHBondContact O-CB 3.36Å; P58-E62 PolarHBondContact O-N 2.99Å; P58-E119 WeakPolarHBondContact CD-OE1 3.27Å; P58-E119 VanDerWaalsContact CG-OE1 3.32Å; P58-E119 WeakPolarHBondContact CG-OE1 3.13Å; P58-E119 VanDerWaalsContact N-OE1 3.15Å
59	K	98.8	Very high	98.6	Very high	137 Å²	137	30.4 Å²	30.4	60%	0.596	15%	0.151	S	C	*	.	H	α-helix	trans	-70.8	-43.7	-179.7	-64.4	179.3	178.8	178.9	0	111.4	V57 V61 E62 N63 Y112 E119	V57-K59 VanDerWaalsContact C-N 3.33Å; V57-K59 PolarHBondContact O-N 2.84Å; K59-V61 VanDerWaalsContact C-N 3.31Å; K59-V61 PolarHBondContact O-N 3.34Å; K59-E62 PolarHBondContact O-N 2.95Å; K59-N63 PolarHBondContact O-N 3.09Å; K59-Y112 HydrophobicContact CB-CE2 4.38Å; K59-Y112 PolarHBondContact O-OH 3.12Å; K59-E119 PolarHBondContact N-OE1 2.81Å; K59-E119 PolarHBondContact N-OE2 3.25Å
60	T	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-42.4	178.4	-48.6	0	0	0	0	110.7	V57 N63 F64 F116 E119 M133 V160 F162	V57-T60 PolarHBondContact O-N 2.99Å; T60-N63 PolarHBondContact O-N 3.11Å; T60-F64 PolarHBondContact O-N 2.73Å; T60-F64 VanDerWaalsContact O-N 3.09Å; T60-F116 HydrophobicContact CG2-CE2 4.45Å; T60-F116 HydrophobicContact CG2-CZ 4.29Å; T60-E119 WeakPolarHBondContact CB-OE2 3.22Å; T60-E119 PolarHBondContact N-OE2 3.41Å; T60-E119 PolarHBondContact OG1-OE2 3.14Å; T60-M133 HydrophobicContact CG2-CG 3.67Å; T60-M133 HydrophobicContact CG2-SD 3.99Å; T60-V160 HydrophobicContact CG2-CG1 4.15Å; T60-F162 HydrophobicContact CG2-CB 3.72Å; T60-F162 HydrophobicContact CG2-CD1 3.7Å; T60-F162 HydrophobicContact CG2-CD2 4.26Å; T60-F162 HydrophobicContact CG2-CE1 4.35Å; T60-F162 HydrophobicContact CG2-CG 3.64Å
61	V	98.8	Very high	98.4	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-44	176.6	166	0	0	0	0	112	L52 V57 K59 N63 F64 K65 F162	L52-V61 HydrophobicContact CB-CB 4.43Å; L52-V61 HydrophobicContact CB-CG1 3.74Å; L52-V61 HydrophobicContact CB-CG2 3.91Å; L52-V61 HydrophobicContact CD1-CG1 4.02Å; V57-V61 HydrophobicContact CG2-CG2 4.15Å; V57-V61 WeakPolarHBondContact O-CB 3.28Å; V57-V61 WeakPolarHBondContact O-CG2 3.47Å; V57-V61 PolarHBondContact O-N 3.34Å; K59-V61 VanDerWaalsContact C-N 3.31Å; K59-V61 PolarHBondContact O-N 3.34Å; V61-N63 VanDerWaalsContact C-N 3.34Å; V61-N63 PolarHBondContact O-N 2.94Å; V61-F64 PolarHBondContact O-N 2.77Å; V61-K65 VanDerWaalsContact O-CB 3.22Å; V61-K65 WeakPolarHBondContact O-CB 3.34Å; V61-K65 PolarHBondContact O-N 2.6Å; V61-F162 HydrophobicContact CG2-CB 4.49Å
62	E	98.7	Very high	98.3	Very high	62 Å²	62	39.7 Å²	39.7	29%	0.29	21%	0.205	S	C	.	.	H	α-helix	trans	-61.3	-44.1	178	-175.7	60.2	-149.8	0	0	111.1	P58 K59 F64 K65 Q66 I111	P58-E62 VanDerWaalsContact O-CB 3.29Å; P58-E62 WeakPolarHBondContact O-CB 3.36Å; P58-E62 PolarHBondContact O-N 2.99Å; K59-E62 PolarHBondContact O-N 2.95Å; E62-F64 PolarHBondContact O-N 2.92Å; E62-K65 PolarHBondContact O-N 2.88Å; E62-K65 IonicContact OE1-NZ 3.94Å; E62-K65 WeakPolarHBondContact OE2-CE 3.37Å; E62-K65 IonicContact OE2-NZ 2.84Å; E62-K65 PolarHBondContact OE2-NZ 2.77Å; E62-Q66 HydrophobicContact CG-CG 4.4Å; E62-Q66 WeakPolarHBondContact O-CB 3.47Å; E62-Q66 VanDerWaalsContact O-CG 3.23Å; E62-Q66 WeakPolarHBondContact O-CG 3.44Å; E62-Q66 PolarHBondContact O-N 2.79Å; E62-Q66 VanDerWaalsContact OE1-CG 3.22Å; E62-Q66 WeakPolarHBondContact OE1-CG 3.45Å; E62-Q66 PolarHBondContact OE1-NE2 2.65Å; E62-I111 HydrophobicContact CG-CD1 4.13Å
63	N	98.7	Very high	98.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-54.5	-54.6	172.9	178.4	57.9	0	0	0	112.3	K59 T60 V61 K65 Q66 L67 S110 I111 Y112 G142	K59-N63 PolarHBondContact O-N 3.09Å; T60-N63 PolarHBondContact O-N 3.11Å; V61-N63 VanDerWaalsContact C-N 3.34Å; V61-N63 PolarHBondContact O-N 2.94Å; N63-K65 VanDerWaalsContact C-N 3.34Å; N63-K65 PolarHBondContact O-N 2.87Å; N63-Q66 PolarHBondContact O-N 3.39Å; N63-L67 WeakPolarHBondContact O-CB 3.5Å; N63-L67 VanDerWaalsContact O-CG 3.26Å; N63-L67 WeakPolarHBondContact O-CG 3.27Å; N63-L67 PolarHBondContact O-N 3.32Å; N63-S110 VanDerWaalsContact OD1-CA 3.25Å; N63-S110 WeakPolarHBondContact OD1-CA 3.42Å; N63-S110 VanDerWaalsContact OD1-CB 3.26Å; N63-S110 WeakPolarHBondContact OD1-CB 3.31Å; N63-I111 HydrophobicContact CB-CG1 4.25Å; N63-I111 PolarHBondContact OD1-N 2.93Å; N63-Y112 HydrophobicContact CB-CD2 4.47Å; N63-Y112 HydrophobicContact CB-CE2 3.8Å; N63-G142 PolarHBondContact ND2-O 2.79Å
64	F	98.9	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.1	-38.8	-177	-164.4	-101.2	0	0	0	113	V34 F36 I50 L52 T60 V61 E62 S68 Y81 L131 F145 F162	V34-F64 HydrophobicContact CG2-CD1 4Å; V34-F64 HydrophobicContact CG2-CE1 3.64Å; F36-F64 HydrophobicContact CE2-CE1 4.37Å; F36-F64 AromaticContact CE2-CZ 3.87Å; F36-F64 HydrophobicContact CE2-CZ 3.87Å; F36-F64 AromaticContact CZ-CE1 3.81Å; F36-F64 HydrophobicContact CZ-CE1 3.81Å; F36-F64 HydrophobicContact CZ-CE2 4.43Å; F36-F64 AromaticContact CZ-CZ 3.49Å; F36-F64 HydrophobicContact CZ-CZ 3.49Å; F36-F64 VanDerWaalsContact CZ-CZ 3.49Å; I50-F64 HydrophobicContact CD1-CE1 4.38Å; I50-F64 HydrophobicContact CD1-CZ 4.49Å; L52-F64 HydrophobicContact CD1-CD1 4.16Å; L52-F64 HydrophobicContact CD2-CD1 3.87Å; L52-F64 HydrophobicContact CD2-CE1 4.27Å; T60-F64 PolarHBondContact O-N 2.73Å; T60-F64 VanDerWaalsContact O-N 3.09Å; V61-F64 PolarHBondContact O-N 2.77Å; E62-F64 PolarHBondContact O-N 2.92Å; F64-S68 WeakPolarHBondContact O-CB 3.5Å; F64-S68 PolarHBondContact O-N 3.36Å; F64-S68 PolarHBondContact O-OG 2.81Å; F64-Y81 AromaticContact CD2-CE2 3.55Å; F64-Y81 HydrophobicContact CD2-CE2 3.55Å; F64-Y81 AromaticContact CD2-CZ 3.74Å; F64-Y81 WeakPolarHBondContact CD2-OH 3.36Å; F64-Y81 HydrophobicContact CE1-CE2 4.46Å; F64-Y81 HydrophobicContact CE2-CD2 4.48Å; F64-Y81 AromaticContact CE2-CE2 3.47Å; F64-Y81 HydrophobicContact CE2-CE2 3.47Å; F64-Y81 VanDerWaalsContact CE2-CE2 3.47Å; F64-Y81 AromaticContact CE2-CZ 3.67Å; F64-Y81 WeakPolarHBondContact CE2-OH 3.4Å; F64-Y81 HydrophobicContact CG-CE2 4.09Å; F64-Y81 AromaticContact CZ-CE2 3.97Å; F64-Y81 HydrophobicContact CZ-CE2 3.97Å; F64-L131 HydrophobicContact CD1-CD2 4.22Å; F64-L131 HydrophobicContact CE1-CD2 3.66Å; F64-L131 HydrophobicContact CE2-CD1 4.47Å; F64-L131 HydrophobicContact CE2-CD2 4.24Å; F64-L131 HydrophobicContact CZ-CD1 4.17Å; F64-L131 HydrophobicContact CZ-CD2 3.69Å; F64-F145 HydrophobicContact CE2-CB 3.94Å; F64-F145 AromaticContact CE2-CD1 3.51Å; F64-F145 HydrophobicContact CE2-CD1 3.51Å; F64-F145 HydrophobicContact CE2-CD2 4.23Å; F64-F145 AromaticContact CE2-CE1 3.97Å; F64-F145 HydrophobicContact CE2-CE1 3.97Å; F64-F145 AromaticContact CE2-CG 3.63Å; F64-F145 HydrophobicContact CE2-CG 3.63Å; F64-F145 HydrophobicContact CZ-CD1 4.15Å; F64-F145 HydrophobicContact CZ-CD2 4.33Å; F64-F145 HydrophobicContact CZ-CE1 4.24Å; F64-F145 HydrophobicContact CZ-CE2 4.44Å; F64-F145 HydrophobicContact CZ-CG 4.18Å; F64-F145 HydrophobicContact CZ-CZ 4.39Å; F64-F162 HydrophobicContact CB-CD2 4.38Å; F64-F162 HydrophobicContact CB-CE2 3.64Å; F64-F162 HydrophobicContact CB-CZ 4.28Å; F64-F162 AromaticContact CD1-CE2 3.82Å; F64-F162 HydrophobicContact CD1-CE2 3.82Å; F64-F162 HydrophobicContact CD1-CZ 4.5Å; F64-F162 AromaticContact CD2-CE2 3.51Å; F64-F162 HydrophobicContact CD2-CE2 3.51Å; F64-F162 AromaticContact CD2-CZ 3.44Å; F64-F162 HydrophobicContact CD2-CZ 3.44Å; F64-F162 VanDerWaalsContact CD2-CZ 3.44Å; F64-F162 HydrophobicContact CE1-CE2 4.28Å; F64-F162 HydrophobicContact CE2-CE2 4.04Å; F64-F162 AromaticContact CE2-CZ 3.76Å; F64-F162 HydrophobicContact CE2-CZ 3.76Å; F64-F162 HydrophobicContact CG-CD2 4.47Å; F64-F162 AromaticContact CG-CE2 3.39Å; F64-F162 HydrophobicContact CG-CE2 3.39Å; F64-F162 AromaticContact CG-CZ 3.86Å; F64-F162 HydrophobicContact CG-CZ 3.86Å; F64-F162 HydrophobicContact CZ-CE2 4.39Å; F64-F162 HydrophobicContact CZ-CZ 4.39Å
65	K	98.7	Very high	97.6	Very high	32 Å²	32	55.3 Å²	55.3	14%	0.139	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-48.5	177.4	179.8	-179.7	63.7	-173.2	0	110.9	D32 L52 V61 E62 N63 S68 I69 H197	D32-K65 IonicContact OD1-NZ 3.61Å; L52-K65 HydrophobicContact CD1-CB 4.34Å; V61-K65 VanDerWaalsContact O-CB 3.22Å; V61-K65 WeakPolarHBondContact O-CB 3.34Å; V61-K65 PolarHBondContact O-N 2.6Å; E62-K65 PolarHBondContact O-N 2.88Å; E62-K65 IonicContact OE1-NZ 3.94Å; E62-K65 WeakPolarHBondContact OE2-CE 3.37Å; E62-K65 IonicContact OE2-NZ 2.84Å; E62-K65 PolarHBondContact OE2-NZ 2.77Å; N63-K65 VanDerWaalsContact C-N 3.34Å; N63-K65 PolarHBondContact O-N 2.87Å; K65-S68 WeakPolarHBondContact O-CB 3.33Å; K65-S68 PolarHBondContact O-N 3.05Å; K65-S68 VanDerWaalsContact O-N 3.11Å; K65-I69 HydrophobicContact CG-CD1 4.03Å; K65-I69 WeakPolarHBondContact O-CG1 3.19Å; K65-I69 PolarHBondContact O-N 3.49Å; K65-H197 VanDerWaalsContact CD-CD2 3.48Å; K65-H197 WeakPolarHBondContact CD-CD2 3.43Å; K65-H197 HydrophobicContact CG-CB 4.18Å
66	Q	98.6	Very high	97.4	Very high	45 Å²	45	50.7 Å²	50.7	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-42.7	178.6	-69.3	-61.2	-37.6	0	0	111.7	E62 N63 S68 I69 G70 T71 I111	E62-Q66 HydrophobicContact CG-CG 4.4Å; E62-Q66 WeakPolarHBondContact O-CB 3.47Å; E62-Q66 VanDerWaalsContact O-CG 3.23Å; E62-Q66 WeakPolarHBondContact O-CG 3.44Å; E62-Q66 PolarHBondContact O-N 2.79Å; E62-Q66 VanDerWaalsContact OE1-CG 3.22Å; E62-Q66 WeakPolarHBondContact OE1-CG 3.45Å; E62-Q66 PolarHBondContact OE1-NE2 2.65Å; N63-Q66 PolarHBondContact O-N 3.39Å; Q66-S68 PolarHBondContact O-N 3.39Å; Q66-I69 PolarHBondContact O-N 2.81Å; Q66-I69 VanDerWaalsContact O-N 3.11Å; Q66-G70 PolarHBondContact O-N 2.82Å; Q66-T71 WeakPolarHBondContact CB-OG1 3.25Å; Q66-T71 PolarHBondContact O-OG1 2.84Å; Q66-T71 PolarHBondContact OE1-OG1 3.11Å; Q66-I111 HydrophobicContact CB-CD1 4.04Å; Q66-I111 HydrophobicContact CB-CG2 3.69Å; Q66-I111 HydrophobicContact CG-CD1 3.82Å
67	L	98.7	Very high	97.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-33.5	172.1	-70.9	167.3	0	0	0	112.8	N63 A79 S80 Y81 F100 I111	N63-L67 WeakPolarHBondContact O-CB 3.5Å; N63-L67 VanDerWaalsContact O-CG 3.26Å; N63-L67 WeakPolarHBondContact O-CG 3.27Å; N63-L67 PolarHBondContact O-N 3.32Å; L67-A79 HydrophobicContact CD2-CB 3.46Å; L67-A79 VanDerWaalsContact CD2-CB 3.46Å; L67-S80 CarbonylContact O-C 3.52Å; L67-S80 VanDerWaalsContact O-CA 3.26Å; L67-S80 WeakPolarHBondContact O-CA 3.08Å; L67-Y81 HydrophobicContact CB-CD1 4.47Å; L67-Y81 HydrophobicContact CB-CD2 3.72Å; L67-Y81 HydrophobicContact CB-CE1 4.17Å; L67-Y81 HydrophobicContact CB-CE2 3.36Å; L67-Y81 HydrophobicContact CB-CG 4.27Å; L67-Y81 HydrophobicContact CD1-CE1 4.15Å; L67-Y81 HydrophobicContact CD1-CE2 4.2Å; L67-Y81 VanDerWaalsContact CD1-OH 3.28Å; L67-Y81 WeakPolarHBondContact CD1-OH 3.36Å; L67-Y81 HydrophobicContact CG-CE2 4.4Å; L67-Y81 PolarHBondContact O-N 3.24Å; L67-F100 HydrophobicContact CD2-CD1 4.4Å; L67-F100 HydrophobicContact CD2-CE1 3.53Å; L67-F100 HydrophobicContact CD2-CZ 4.02Å; L67-I111 HydrophobicContact CG-CG2 4.41Å
68	S	98.7	Very high	97.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-73.8	-32.6	174.8	-57	0	0	0	0	112.8	F64 K65 Q66 C195 G196	F64-S68 WeakPolarHBondContact O-CB 3.5Å; F64-S68 PolarHBondContact O-N 3.36Å; F64-S68 PolarHBondContact O-OG 2.81Å; K65-S68 WeakPolarHBondContact O-CB 3.33Å; K65-S68 PolarHBondContact O-N 3.05Å; K65-S68 VanDerWaalsContact O-N 3.11Å; Q66-S68 PolarHBondContact O-N 3.39Å; S68-C195 CarbonylContact O-C 3.56Å; S68-C195 PolarHBondContact O-SG 2.63Å; S68-G196 VanDerWaalsContact O-CA 3.31Å; S68-G196 WeakPolarHBondContact O-CA 3.38Å; S68-G196 PolarHBondContact O-N 3.23Å
69	I	98.4	Very high	97	Very high	85 Å²	85	53.9 Å²	53.9	44%	0.436	28%	0.277	S	S	.	.	H	α-helix	trans	-73.3	-38.4	175.2	-67.5	164.7	0	0	0	110.9	K65 Q66 H197	K65-I69 HydrophobicContact CG-CD1 4.03Å; K65-I69 WeakPolarHBondContact O-CG1 3.19Å; K65-I69 PolarHBondContact O-N 3.49Å; Q66-I69 PolarHBondContact O-N 2.81Å; Q66-I69 VanDerWaalsContact O-N 3.11Å; I69-H197 HydrophobicContact CD1-CB 3.8Å; I69-H197 HydrophobicContact CG1-CB 3.66Å
70	G	97.8	Very high	97	Very high	30 Å²	30	48.4 Å²	48.4	31%	0.309	26%	0.256	S	S	.	.			trans	89.9	100.8	-168.1	0	0	0	0	0	110.6	Q66 A79	Q66-G70 PolarHBondContact O-N 2.82Å; G70-A79 WeakPolarHBondContact CA-O 3.41Å
71	T	95.6	Very high	97	Very high	32 Å²	32	48.4 Å²	48.4	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.5	-173.7	-57.2	0	0	0	0	110.5	Q66 L73 A79	Q66-T71 WeakPolarHBondContact CB-OG1 3.25Å; Q66-T71 PolarHBondContact O-OG1 2.84Å; Q66-T71 PolarHBondContact OE1-OG1 3.11Å; T71-L73 HydrophobicContact CG2-CD2 4.37Å; T71-A79 PolarHBondContact N-O 3.38Å; T71-A79 PolarHBondContact O-N 3.38Å
72	Q	96.4	Very high	97	Very high	150 Å²	150	54.6 Å²	54.6	70%	0.701	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.8	169.1	-171.1	171.1	42.7	0	0	109.3
73	L	94.9	Very high	97	Very high	24 Å²	24	53 Å²	53	13%	0.126	28%	0.284	C	S	.	.			trans	-84.4	161	178.2	-56.1	-171.9	0	0	0	110.8	T71 D75 G76 R77 A79 F109 I111	T71-L73 HydrophobicContact CG2-CD2 4.37Å; L73-D75 WeakPolarHBondContact CB-OD1 3.34Å; L73-D75 PolarHBondContact O-N 3.45Å; L73-G76 PolarHBondContact O-N 2.9Å; L73-R77 PolarHBondContact N-O 2.82Å; L73-A79 HydrophobicContact CD1-CB 4.37Å; L73-A79 HydrophobicContact CD2-CB 4.37Å; L73-A79 HydrophobicContact CG-CB 4.3Å; L73-F109 HydrophobicContact CD1-CD2 3.84Å; L73-F109 HydrophobicContact CD1-CE2 3.54Å; L73-F109 HydrophobicContact CG-CE2 4.49Å; L73-I111 HydrophobicContact CD2-CB 4.17Å; L73-I111 HydrophobicContact CD2-CG2 4.36Å
74	K	93.5	Very high	97	Very high	225 Å²	225	53.1 Å²	53.1	98%	0.978	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.4	-178.8	-68.1	-177.4	178.2	179.4	0	113.8	G76	K74-G76 PolarHBondContact O-N 3.23Å
75	D	92.5	Very high	97	Very high	92 Å²	92	54 Å²	54	49%	0.492	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	4.1	177.2	63.5	9.2	0	0	0	113.1	L73 R77	L73-D75 WeakPolarHBondContact CB-OD1 3.34Å; L73-D75 PolarHBondContact O-N 3.45Å; D75-R77 WeakPolarHBondContact OD1-CB 3.26Å; D75-R77 PolarHBondContact OD1-N 2.67Å; D75-R77 IonicContact OD1-NE 3.16Å; D75-R77 IonicContact OD2-CZ 2.79Å; D75-R77 IonicContact OD2-NE 3.78Å; D75-R77 PolarHBondContact OD2-NE 3.5Å; D75-R77 IonicContact OD2-NH2 3.15Å; D75-R77 PolarHBondContact OD2-NH2 3.41Å
76	G	94	Very high	97	Very high	49 Å²	49	52.6 Å²	52.6	51%	0.505	28%	0.283	S	S	.	.	S	Bend	trans	88.9	-7.4	178.3	0	0	0	0	0	114.6	L73 K74	L73-G76 PolarHBondContact O-N 2.9Å; K74-G76 PolarHBondContact O-N 3.23Å
77	R	94.1	Very high	97	Very high	79 Å²	79	51.2 Å²	51.2	30%	0.298	28%	0.277	S	S	.	.			trans	-71.9	148.7	175.5	-64.8	-174.1	-69.6	178.1	-8.6	111.2	L73 D75 F109 D114	L73-R77 PolarHBondContact N-O 2.82Å; D75-R77 WeakPolarHBondContact OD1-CB 3.26Å; D75-R77 PolarHBondContact OD1-N 2.67Å; D75-R77 IonicContact OD1-NE 3.16Å; D75-R77 IonicContact OD2-CZ 2.79Å; D75-R77 IonicContact OD2-NE 3.78Å; D75-R77 PolarHBondContact OD2-NE 3.5Å; D75-R77 IonicContact OD2-NH2 3.15Å; D75-R77 PolarHBondContact OD2-NH2 3.41Å; R77-F109 HydrophobicContact CB-CE2 4.02Å; R77-F109 HydrophobicContact CB-CZ 3.67Å; R77-F109 HydrophobicContact CG-CZ 4.28Å; R77-D114 IonicContact CZ-OD1 2.82Å; R77-D114 IonicContact NH1-OD1 2.75Å; R77-D114 PolarHBondContact NH1-OD1 3.43Å; R77-D114 IonicContact NH2-OD1 3.52Å
78	T	96.1	Very high	97	Very high	86 Å²	86	55.9 Å²	55.9	53%	0.528	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.8	169.8	-61.3	0	0	0	0	109.3
79	A	97.3	Very high	97	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	105.1	177.4	0	0	0	0	0	108.5	L67 G70 T71 L73 F100 F109	L67-A79 HydrophobicContact CD2-CB 3.46Å; L67-A79 VanDerWaalsContact CD2-CB 3.46Å; G70-A79 WeakPolarHBondContact CA-O 3.41Å; T71-A79 PolarHBondContact N-O 3.38Å; T71-A79 PolarHBondContact O-N 3.38Å; L73-A79 HydrophobicContact CD1-CB 4.37Å; L73-A79 HydrophobicContact CD2-CB 4.37Å; L73-A79 HydrophobicContact CG-CB 4.3Å; A79-F100 HydrophobicContact CB-CZ 4.28Å; A79-F109 HydrophobicContact CB-CD2 4.45Å; A79-F109 HydrophobicContact CB-CE2 3.76Å; A79-F109 HydrophobicContact CB-CZ 4.5Å
80	S	98.4	Very high	97	Very high	22 Å²	22	53.6 Å²	53.6	15%	0.154	28%	0.283	C	S	.	.			trans	-150	138.4	-178.3	-169.6	0	0	0	0	113.5	L67 K82 F100	L67-S80 CarbonylContact O-C 3.52Å; L67-S80 VanDerWaalsContact O-CA 3.26Å; L67-S80 WeakPolarHBondContact O-CA 3.08Å; S80-K82 VanDerWaalsContact C-N 3.31Å; S80-K82 WeakPolarHBondContact OG-CB 3.33Å; S80-K82 PolarHBondContact OG-N 3.18Å; S80-F100 WeakPolarHBondContact O-CB 3.21Å; S80-F100 VanDerWaalsContact O-CG 3.27Å; S80-F100 WeakPolarHBondContact O-CG 3.06Å
81	Y	98.8	Very high	97	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.3	C	S	.	.			trans	-77.6	-15	169.4	-66	-45.1	0	0	0	113.8	F36 F64 L67 G83 S84 F100 S143 F145	F36-Y81 HydrophobicContact CE1-CD2 4.01Å; F36-Y81 AromaticContact CZ-CD2 3.91Å; F36-Y81 HydrophobicContact CZ-CD2 3.91Å; F36-Y81 HydrophobicContact CZ-CE2 4.39Å; F64-Y81 AromaticContact CD2-CE2 3.55Å; F64-Y81 HydrophobicContact CD2-CE2 3.55Å; F64-Y81 AromaticContact CD2-CZ 3.74Å; F64-Y81 WeakPolarHBondContact CD2-OH 3.36Å; F64-Y81 HydrophobicContact CE1-CE2 4.46Å; F64-Y81 HydrophobicContact CE2-CD2 4.48Å; F64-Y81 AromaticContact CE2-CE2 3.47Å; F64-Y81 HydrophobicContact CE2-CE2 3.47Å; F64-Y81 VanDerWaalsContact CE2-CE2 3.47Å; F64-Y81 AromaticContact CE2-CZ 3.67Å; F64-Y81 WeakPolarHBondContact CE2-OH 3.4Å; F64-Y81 HydrophobicContact CG-CE2 4.09Å; F64-Y81 AromaticContact CZ-CE2 3.97Å; F64-Y81 HydrophobicContact CZ-CE2 3.97Å; L67-Y81 HydrophobicContact CB-CD1 4.47Å; L67-Y81 HydrophobicContact CB-CD2 3.72Å; L67-Y81 HydrophobicContact CB-CE1 4.17Å; L67-Y81 HydrophobicContact CB-CE2 3.36Å; L67-Y81 HydrophobicContact CB-CG 4.27Å; L67-Y81 HydrophobicContact CD1-CE1 4.15Å; L67-Y81 HydrophobicContact CD1-CE2 4.2Å; L67-Y81 VanDerWaalsContact CD1-OH 3.28Å; L67-Y81 WeakPolarHBondContact CD1-OH 3.36Å; L67-Y81 HydrophobicContact CG-CE2 4.4Å; L67-Y81 PolarHBondContact O-N 3.24Å; Y81-G83 PolarHBondContact O-N 2.76Å; Y81-S84 VanDerWaalsContact O-CB 3.27Å; Y81-S84 WeakPolarHBondContact O-CB 3.29Å; Y81-S84 PolarHBondContact O-N 2.75Å; Y81-S84 PolarHBondContact O-OG 2.95Å; Y81-F100 HydrophobicContact CD1-CD1 4.3Å; Y81-F100 HydrophobicContact CE1-CD1 4.45Å; Y81-S143 VanDerWaalsContact CE1-O 3.26Å; Y81-S143 WeakPolarHBondContact CE1-O 3.42Å; Y81-S143 PolarHBondContact OH-O 3.26Å; Y81-F145 HydrophobicContact CD1-CE1 4.24Å; Y81-F145 HydrophobicContact CE1-CD1 4.07Å; Y81-F145 AromaticContact CE1-CE1 3.98Å; Y81-F145 HydrophobicContact CE1-CE1 3.98Å; Y81-F145 HydrophobicContact CE2-CE1 4.42Å; Y81-F145 AromaticContact CZ-CD1 3.95Å
82	K	98.6	Very high	97.1	Very high	134 Å²	134	61.8 Å²	61.8	58%	0.583	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	124.3	179.2	-175	175.5	180	175.5	0	109.9	S80 S84 A193 C195	S80-K82 VanDerWaalsContact C-N 3.31Å; S80-K82 WeakPolarHBondContact OG-CB 3.33Å; S80-K82 PolarHBondContact OG-N 3.18Å; K82-S84 VanDerWaalsContact C-N 3.28Å; K82-S84 PolarHBondContact O-N 3.18Å; K82-A193 WeakPolarHBondContact CE-O 3.2Å; K82-A193 WeakPolarHBondContact CG-O 3.31Å; K82-C195 PolarHBondContact N-SG 2.85Å
83	G	98.3	Very high	97.2	Very high	29 Å²	29	56.8 Å²	56.8	30%	0.299	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-9.7	-176.8	0	0	0	0	0	114.8	Y81 H103 I192	Y81-G83 PolarHBondContact O-N 2.76Å; G83-H103 PolarHBondContact O-CE1 2.95Å; G83-I192 PolarHBondContact N-O 3.35Å
84	S	98.7	Very high	97.4	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	29%	0.288	C	S	.	.			trans	-71.5	164.5	174.6	76.4	0	0	0	0	112.1	Y81 K82 K191 I192	Y81-S84 VanDerWaalsContact O-CB 3.27Å; Y81-S84 WeakPolarHBondContact O-CB 3.29Å; Y81-S84 PolarHBondContact O-N 2.75Å; Y81-S84 PolarHBondContact O-OG 2.95Å; K82-S84 VanDerWaalsContact C-N 3.28Å; K82-S84 PolarHBondContact O-N 3.18Å; S84-K191 WeakPolarHBondContact O-CA 3.02Å; S84-K191 WeakPolarHBondContact O-CG 3.01Å; S84-I192 PolarHBondContact O-N 2.97Å
85	T	98.7	Very high	97.7	Very high	19 Å²	19	45.1 Å²	45.1	12%	0.117	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-121.3	154.8	-173.5	51.3	0	0	0	0	112.5	H87 G97 H103 I190 K191	T85-H87 PolarHBondContact O-N 2.97Å; T85-G97 WeakPolarHBondContact O-CA 3.46Å; T85-H103 PolarHBondContact OG1-ND1 2.98Å; T85-I190 CarbonylContact C-O 3.54Å; T85-I190 WeakPolarHBondContact CA-O 3.32Å; T85-I190 WeakPolarHBondContact CB-O 3.38Å; T85-K191 HydrophobicContact CG2-CB 4.45Å
86	F	98.8	Very high	98	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	22%	0.223	C	C	.	.			trans	-79.8	93.9	160.8	-68.6	-89.1	0	0	0	108.1	I38 V89 I95 Q96 F145 I175 I190 I192	I38-F86 HydrophobicContact CD1-CE2 3.75Å; I38-F86 HydrophobicContact CD1-CZ 4.46Å; F86-V89 HydrophobicContact CB-CG2 4.48Å; F86-I95 HydrophobicContact CD1-CB 4.15Å; F86-I95 HydrophobicContact CD1-CD1 4.01Å; F86-I95 HydrophobicContact CD1-CG1 4.14Å; F86-I95 HydrophobicContact CE1-CD1 3.71Å; F86-I95 HydrophobicContact CE1-CG1 4.04Å; F86-I95 HydrophobicContact CZ-CD1 4.25Å; F86-Q96 CarbonylContact C-O 3.59Å; F86-Q96 WeakPolarHBondContact CA-O 3.2Å; F86-F145 AromaticContact CE1-CE2 3.91Å; F86-F145 HydrophobicContact CE1-CE2 3.91Å; F86-F145 HydrophobicContact CE1-CZ 4.11Å; F86-F145 HydrophobicContact CZ-CE2 4.28Å; F86-F145 HydrophobicContact CZ-CZ 4.2Å; F86-I175 HydrophobicContact CD2-CD1 4.38Å; F86-I175 HydrophobicContact CE2-CD1 4.23Å; F86-I190 HydrophobicContact CB-CB 4.29Å; F86-I190 HydrophobicContact CB-CG2 4.29Å; F86-I190 HydrophobicContact CD2-CG2 3.83Å; F86-I190 HydrophobicContact CG-CG2 4.42Å; F86-I190 PolarHBondContact N-O 2.98Å; F86-I192 HydrophobicContact CE2-CD1 4.17Å; F86-I192 HydrophobicContact CE2-CG1 3.77Å; F86-I192 HydrophobicContact CZ-CD1 4.33Å; F86-I192 HydrophobicContact CZ-CG1 4.37Å
87	H	98.7	Very high	98.2	Very high	15 Å²	15	39.6 Å²	39.6	7%	0.069	20%	0.199	C	C	.	.			trans	-84.1	-12.7	-171.7	59	-92.5	0	0	0	113.2	T85 Q96 H103 G105 Q144	T85-H87 PolarHBondContact O-N 2.97Å; H87-Q96 PolarHBondContact N-O 3.09Å; H87-Q96 VanDerWaalsContact N-O 3.14Å; H87-H103 VanDerWaalsContact CB-O 3.28Å; H87-H103 WeakPolarHBondContact CB-O 3.32Å; H87-G105 VanDerWaalsContact NE2-CA 3.33Å; H87-G105 WeakPolarHBondContact NE2-CA 3.5Å; H87-Q144 PolarHBondContact CE1-OE1 2.88Å; H87-Q144 PolarHBondContact NE2-OE1 2.98Å
88	R	98.8	Very high	98.4	Very high	99 Å²	99	35.8 Å²	35.8	37%	0.374	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	126	178.6	-168.9	-174	-174.3	-169.3	2.7	110.9	M94 Q96 D184	R88-M94 HydrophobicContact CG-CE 4.05Å; R88-Q96 HydrophobicContact CB-CB 4.2Å; R88-Q96 PolarHBondContact N-O 3.31Å; R88-Q96 PolarHBondContact O-N 3.31Å; R88-D184 CarbonylContact C-O 3.54Å; R88-D184 WeakPolarHBondContact CA-O 3.48Å; R88-D184 HydrophobicContact CG-CB 3.82Å; R88-D184 IonicContact CZ-OD2 3.68Å; R88-D184 IonicContact NE-OD2 3.55Å; R88-D184 PolarHBondContact NE-OD2 2.87Å; R88-D184 IonicContact NH2-OD2 2.87Å; R88-D184 PolarHBondContact NH2-OD2 3Å
89	V	98.8	Very high	98.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	123.4	-178.6	169.8	0	0	0	0	108.8	F86 I95 I175 T180 D184 P186	F86-V89 HydrophobicContact CB-CG2 4.48Å; V89-I95 HydrophobicContact CG1-CG2 4.05Å; V89-I95 HydrophobicContact CG2-CB 4.26Å; V89-I95 HydrophobicContact CG2-CG2 4.07Å; V89-I175 HydrophobicContact CG2-CG2 3.96Å; V89-T180 HydrophobicContact CB-CG2 4.05Å; V89-T180 HydrophobicContact CG1-CG2 4.36Å; V89-D184 PolarHBondContact N-O 3.43Å; V89-P186 HydrophobicContact CB-CG 3.92Å; V89-P186 HydrophobicContact CG2-CG 3.49Å; V89-P186 VanDerWaalsContact CG2-CG 3.49Å
90	I	98.6	Very high	98.6	Very high	35 Å²	35	33 Å²	33	18%	0.179	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.6	177.9	-57.8	174.2	0	0	0	108.4	F93 M94 D184	I90-F93 HydrophobicContact CB-CB 3.99Å; I90-F93 HydrophobicContact CB-CD1 3.9Å; I90-F93 HydrophobicContact CB-CG 4.42Å; I90-F93 HydrophobicContact CD1-CD1 3.73Å; I90-F93 HydrophobicContact CD1-CE1 4.1Å; I90-F93 HydrophobicContact CG1-CD1 4.39Å; I90-F93 HydrophobicContact CG2-CB 3.77Å; I90-F93 HydrophobicContact CG2-CD1 3.95Å; I90-F93 HydrophobicContact CG2-CG 4.38Å; I90-F93 PolarHBondContact O-N 3.48Å; I90-F93 VanDerWaalsContact O-N 3.12Å; I90-M94 HydrophobicContact CB-CE 4.23Å; I90-M94 HydrophobicContact CD1-CE 3.68Å; I90-M94 HydrophobicContact CG1-CE 3.82Å; I90-M94 PolarHBondContact N-O 3.35Å; I90-M94 PolarHBondContact O-N 2.87Å; I90-M94 VanDerWaalsContact O-N 3.09Å; I90-D184 HydrophobicContact CD1-CB 4.34Å; I90-D184 WeakPolarHBondContact CD1-OD2 3.4Å; I90-D184 HydrophobicContact CG1-CB 3.74Å
91	K	98	Very high	98.5	Very high	155 Å²	155	34.8 Å²	34.8	67%	0.674	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	137.6	178.4	-172.3	172.4	-177	174.3	0	111	F93 E176	K91-F93 PolarHBondContact O-N 3.08Å; K91-E176 HydrophobicContact CB-CG 4.45Å; K91-E176 HydrophobicContact CG-CG 4.3Å
92	S	97.8	Very high	98.5	Very high	79 Å²	79	39 Å²	39	55%	0.552	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	32.2	-175	-55.2	0	0	0	0	113.3	V150 E176	S92-V150 WeakPolarHBondContact O-CG2 3.45Å; S92-E176 WeakPolarHBondContact CA-OE1 3.47Å; S92-E176 PolarHBondContact N-OE1 3.39Å
93	F	98.4	Very high	98.5	Very high	45 Å²	45	35.7 Å²	35.7	20%	0.197	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.7	-75.3	173.3	179.8	-156.4	0	0	0	111.6	I90 K91 T149 T152 W154 L155	I90-F93 HydrophobicContact CB-CB 3.99Å; I90-F93 HydrophobicContact CB-CD1 3.9Å; I90-F93 HydrophobicContact CB-CG 4.42Å; I90-F93 HydrophobicContact CD1-CD1 3.73Å; I90-F93 HydrophobicContact CD1-CE1 4.1Å; I90-F93 HydrophobicContact CG1-CD1 4.39Å; I90-F93 HydrophobicContact CG2-CB 3.77Å; I90-F93 HydrophobicContact CG2-CD1 3.95Å; I90-F93 HydrophobicContact CG2-CG 4.38Å; I90-F93 PolarHBondContact O-N 3.48Å; I90-F93 VanDerWaalsContact O-N 3.12Å; K91-F93 PolarHBondContact O-N 3.08Å; F93-T149 VanDerWaalsContact C-OG1 3.24Å; F93-T149 PolarHBondContact N-OG1 2.99Å; F93-T149 VanDerWaalsContact N-OG1 3.11Å; F93-T149 PolarHBondContact O-N 3.15Å; F93-T149 PolarHBondContact O-OG1 3.38Å; F93-T152 HydrophobicContact CD2-CG2 3.53Å; F93-T152 HydrophobicContact CE2-CG2 3.7Å; F93-W154 AromaticContact CD2-CZ2 3.7Å; F93-W154 HydrophobicContact CD2-CZ2 3.7Å; F93-W154 AromaticContact CE2-CZ2 3.7Å; F93-W154 HydrophobicContact CE2-CZ2 3.7Å; F93-W154 AromaticContact CE2-NE1 3.74Å; F93-L155 HydrophobicContact CE2-CD1 3.91Å; F93-L155 HydrophobicContact CZ-CD1 4.17Å
94	M	98.6	Very high	98.5	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.02	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	163.5	-172.7	63.5	83	-150.2	0	0	113.1	R88 I90 Q96 F146 I147	R88-M94 HydrophobicContact CG-CE 4.05Å; I90-M94 HydrophobicContact CB-CE 4.23Å; I90-M94 HydrophobicContact CD1-CE 3.68Å; I90-M94 HydrophobicContact CG1-CE 3.82Å; I90-M94 PolarHBondContact N-O 3.35Å; I90-M94 PolarHBondContact O-N 2.87Å; I90-M94 VanDerWaalsContact O-N 3.09Å; M94-Q96 HydrophobicContact CE-CB 4.11Å; M94-Q96 HydrophobicContact SD-CB 3.53Å; M94-Q96 VanDerWaalsContact SD-CB 3.53Å; M94-F146 HydrophobicContact CB-CB 4.26Å; M94-F146 HydrophobicContact CB-CD2 4.08Å; M94-F146 HydrophobicContact CG-CB 4.35Å; M94-F146 HydrophobicContact CG-CD2 4.47Å; M94-F146 HydrophobicContact SD-CB 3.88Å; M94-I147 CarbonylContact C-O 3.53Å; M94-I147 VanDerWaalsContact CA-O 3.25Å; M94-I147 WeakPolarHBondContact CA-O 3.36Å; M94-I147 WeakPolarHBondContact CB-O 3.28Å
95	I	98.8	Very high	98.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.9	163.9	64	169	0	0	0	108.8	F86 V89 F146 I147 T149 V172 I175 E176	F86-I95 HydrophobicContact CD1-CB 4.15Å; F86-I95 HydrophobicContact CD1-CD1 4.01Å; F86-I95 HydrophobicContact CD1-CG1 4.14Å; F86-I95 HydrophobicContact CE1-CD1 3.71Å; F86-I95 HydrophobicContact CE1-CG1 4.04Å; F86-I95 HydrophobicContact CZ-CD1 4.25Å; V89-I95 HydrophobicContact CG1-CG2 4.05Å; V89-I95 HydrophobicContact CG2-CB 4.26Å; V89-I95 HydrophobicContact CG2-CG2 4.07Å; I95-F146 CarbonylContact O-C 3.52Å; I95-F146 WeakPolarHBondContact O-CA 3.12Å; I95-F146 WeakPolarHBondContact O-CB 3.22Å; I95-I147 HydrophobicContact CD1-CB 4.39Å; I95-I147 HydrophobicContact CD1-CD1 4.37Å; I95-I147 HydrophobicContact CG1-CB 3.87Å; I95-I147 PolarHBondContact N-O 2.87Å; I95-I147 PolarHBondContact O-N 2.93Å; I95-T149 HydrophobicContact CG2-CG2 4.43Å; I95-V172 HydrophobicContact CD1-CB 4.28Å; I95-V172 HydrophobicContact CD1-CG1 3.78Å; I95-V172 HydrophobicContact CD1-CG2 4.22Å; I95-V172 HydrophobicContact CG1-CG1 4.21Å; I95-I175 HydrophobicContact CB-CG2 4.09Å; I95-I175 HydrophobicContact CD1-CB 4.22Å; I95-I175 HydrophobicContact CD1-CD1 3.92Å; I95-I175 HydrophobicContact CD1-CG2 3.9Å; I95-I175 HydrophobicContact CG2-CB 4.39Å; I95-I175 HydrophobicContact CG2-CG2 3.69Å; I95-E176 HydrophobicContact CG2-CB 4.25Å
96	Q	98.9	Very high	98.4	Very high	25 Å²	25	43.6 Å²	43.6	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.5	-175.8	170.9	178.3	-4	0	0	111.3	F86 H87 R88 M94 F145 F146	F86-Q96 CarbonylContact C-O 3.59Å; F86-Q96 WeakPolarHBondContact CA-O 3.2Å; H87-Q96 PolarHBondContact N-O 3.09Å; H87-Q96 VanDerWaalsContact N-O 3.14Å; R88-Q96 HydrophobicContact CB-CB 4.2Å; R88-Q96 PolarHBondContact N-O 3.31Å; R88-Q96 PolarHBondContact O-N 3.31Å; M94-Q96 HydrophobicContact CE-CB 4.11Å; M94-Q96 HydrophobicContact SD-CB 3.53Å; M94-Q96 VanDerWaalsContact SD-CB 3.53Å; Q96-F145 WeakPolarHBondContact CA-O 3.35Å; Q96-F146 HydrophobicContact CB-CB 4.07Å
97	G	98.8	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	-163.3	-179.3	0	0	0	0	0	112.1	T85 Q144 F145	T85-G97 WeakPolarHBondContact O-CA 3.46Å; G97-Q144 VanDerWaalsContact O-CA 3.27Å; G97-Q144 WeakPolarHBondContact O-CA 3.46Å; G97-F145 PolarHBondContact N-O 2.79Å; G97-F145 PolarHBondContact O-N 3.01Å
98	G	98.6	Very high	98.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.			trans	89.8	2.2	173.4	0	0	0	0	0	115.9	F100 S143	G98-F100 WeakPolarHBondContact O-CD1 3.31Å; G98-F100 PolarHBondContact O-N 3.27Å; G98-S143 WeakPolarHBondContact O-CB 3.38Å; G98-S143 PolarHBondContact O-OG 2.87Å
99	D	98.6	Very high	98.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.			trans	-81.5	96.6	161.8	-179.7	1.2	0	0	0	108.5	T101 N102 H103 D104 G105 T106 G107 G108 Q144	D99-T101 PolarHBondContact OD1-N 3.43Å; D99-T101 PolarHBondContact OD1-OG1 2.94Å; D99-N102 PolarHBondContact OD1-N 2.95Å; D99-H103 VanDerWaalsContact CG-N 3.32Å; D99-H103 PolarHBondContact OD1-N 2.87Å; D99-H103 PolarHBondContact OD2-N 2.81Å; D99-D104 PolarHBondContact OD2-N 2.9Å; D99-G105 PolarHBondContact OD2-N 3.11Å; D99-T106 PolarHBondContact OD2-N 3.48Å; D99-G107 VanDerWaalsContact OD1-C 3.27Å; D99-G107 WeakPolarHBondContact OD1-CA 3.45Å; D99-G107 PolarHBondContact OD2-N 3.38Å; D99-G108 PolarHBondContact OD1-N 2.88Å; D99-Q144 HydrophobicContact CB-CG 4Å
100	F	98.2	Very high	98.2	Very high	28 Å²	28	40.3 Å²	40.3	12%	0.123	23%	0.227	C	C	.	.			trans	-93.7	4.8	179.3	58.4	-103.2	0	0	0	113.1	L67 A79 S80 Y81 G98 F109 S143	L67-F100 HydrophobicContact CD2-CD1 4.4Å; L67-F100 HydrophobicContact CD2-CE1 3.53Å; L67-F100 HydrophobicContact CD2-CZ 4.02Å; A79-F100 HydrophobicContact CB-CZ 4.28Å; S80-F100 WeakPolarHBondContact O-CB 3.21Å; S80-F100 VanDerWaalsContact O-CG 3.27Å; S80-F100 WeakPolarHBondContact O-CG 3.06Å; Y81-F100 HydrophobicContact CD1-CD1 4.3Å; Y81-F100 HydrophobicContact CE1-CD1 4.45Å; G98-F100 WeakPolarHBondContact O-CD1 3.31Å; G98-F100 PolarHBondContact O-N 3.27Å; F100-F109 AromaticContact CE2-CD1 3.92Å; F100-F109 HydrophobicContact CE2-CD1 3.92Å; F100-F109 AromaticContact CE2-CE1 3.39Å; F100-F109 HydrophobicContact CE2-CE1 3.39Å; F100-F109 HydrophobicContact CE2-CE2 4.07Å; F100-F109 HydrophobicContact CE2-CG 4.47Å; F100-F109 AromaticContact CE2-CZ 3.45Å; F100-F109 HydrophobicContact CE2-CZ 3.45Å; F100-F109 VanDerWaalsContact CE2-CZ 3.45Å; F100-F109 AromaticContact CZ-CD1 3.93Å; F100-F109 HydrophobicContact CZ-CD1 3.93Å; F100-F109 HydrophobicContact CZ-CD2 4.04Å; F100-F109 AromaticContact CZ-CE1 3.8Å; F100-F109 HydrophobicContact CZ-CE1 3.8Å; F100-F109 AromaticContact CZ-CE2 3.89Å; F100-F109 HydrophobicContact CZ-CE2 3.89Å; F100-F109 HydrophobicContact CZ-CG 4.05Å; F100-F109 AromaticContact CZ-CZ 3.75Å; F100-F109 HydrophobicContact CZ-CZ 3.75Å; F100-S143 WeakPolarHBondContact CE1-OG 3.36Å
101	T	97.8	Very high	98.2	Very high	58 Å²	58	40.4 Å²	40.4	36%	0.356	23%	0.227	S	C	.	.	S	Bend	trans	-106.2	-50.9	-179.1	54.6	0	0	0	0	112	D99 G107 G108 F109	D99-T101 PolarHBondContact OD1-N 3.43Å; D99-T101 PolarHBondContact OD1-OG1 2.94Å; T101-G107 WeakPolarHBondContact OG1-CA 3.36Å; T101-G108 PolarHBondContact OG1-N 3.26Å; T101-F109 HydrophobicContact CG2-CD1 3.98Å; T101-F109 HydrophobicContact CG2-CE1 3.69Å
102	N	98.1	Very high	98.1	Very high	88 Å²	88	38 Å²	38	47%	0.471	22%	0.215	S	C	.	.	S	Bend	trans	-112.2	-17	-175.2	-62.9	-13.9	0	0	0	112.2	D99 D104 T106	D99-N102 PolarHBondContact OD1-N 2.95Å; N102-D104 VanDerWaalsContact CB-OD1 3.31Å; N102-D104 WeakPolarHBondContact CB-OD1 3.42Å; N102-D104 PolarHBondContact O-N 3.19Å; N102-T106 PolarHBondContact ND2-OG1 2.9Å
103	H	97.9	Very high	98.1	Very high	66 Å²	66	35.2 Å²	35.2	31%	0.306	20%	0.199	S	C	.	.	S	Bend	trans	59.4	23.3	178.6	-58.5	-97.8	0	0	0	114.4	G83 T85 H87 D99	G83-H103 PolarHBondContact O-CE1 2.95Å; T85-H103 PolarHBondContact OG1-ND1 2.98Å; H87-H103 VanDerWaalsContact CB-O 3.28Å; H87-H103 WeakPolarHBondContact CB-O 3.32Å; D99-H103 VanDerWaalsContact CG-N 3.32Å; D99-H103 PolarHBondContact OD1-N 2.87Å; D99-H103 PolarHBondContact OD2-N 2.81Å
104	D	98.1	Very high	97.9	Very high	85 Å²	85	38.1 Å²	38.1	46%	0.455	22%	0.216	S	C	.	.	S	Bend	trans	-135.5	0.3	-174.2	67.8	6.9	0	0	0	113.7	D99 N102 T106	D99-D104 PolarHBondContact OD2-N 2.9Å; N102-D104 VanDerWaalsContact CB-OD1 3.31Å; N102-D104 WeakPolarHBondContact CB-OD1 3.42Å; N102-D104 PolarHBondContact O-N 3.19Å; D104-T106 WeakPolarHBondContact OD1-CB 3.43Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.24Å; D104-T106 PolarHBondContact OD1-N 3.39Å; D104-T106 PolarHBondContact OD1-OG1 3.14Å
105	G	97.8	Very high	97.9	Very high	27 Å²	27	46 Å²	46	28%	0.278	25%	0.246	S	C	.	.	S	Bend	trans	93.8	-0.7	178.4	0	0	0	0	0	113.7	H87 D99 Q144	H87-G105 VanDerWaalsContact NE2-CA 3.33Å; H87-G105 WeakPolarHBondContact NE2-CA 3.5Å; D99-G105 PolarHBondContact OD2-N 3.11Å; G105-Q144 PolarHBondContact O-NE2 3.01Å
106	T	97.7	Very high	97.9	Very high	103 Å²	103	46.6 Å²	46.6	63%	0.632	25%	0.249	S	C	*	.	S	Bend	trans	-91.4	-11.7	177	66.4	0	0	0	0	113.4	D99 N102 D104	D99-T106 PolarHBondContact OD2-N 3.48Å; N102-T106 PolarHBondContact ND2-OG1 2.9Å; D104-T106 WeakPolarHBondContact OD1-CB 3.43Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.24Å; D104-T106 PolarHBondContact OD1-N 3.39Å; D104-T106 PolarHBondContact OD1-OG1 3.14Å
107	G	97.4	Very high	97.8	Very high	14 Å²	14	49.5 Å²	49.5	14%	0.144	27%	0.269	C	S	.	.			trans	-117.3	-162.7	-173.8	0	0	0	0	0	115.1	D99 T101 Q144	D99-G107 VanDerWaalsContact OD1-C 3.27Å; D99-G107 WeakPolarHBondContact OD1-CA 3.45Å; D99-G107 PolarHBondContact OD2-N 3.38Å; T101-G107 WeakPolarHBondContact OG1-CA 3.36Å; G107-Q144 PolarHBondContact O-NE2 2.88Å
108	G	97.9	Very high	97.8	Very high	19 Å²	19	50.7 Å²	50.7	20%	0.196	28%	0.276	C	S	.	.			trans	93.6	152.3	-176.4	0	0	0	0	0	112.7	D99 T101 S143	D99-G108 PolarHBondContact OD1-N 2.88Å; T101-G108 PolarHBondContact OG1-N 3.26Å; G108-S143 WeakPolarHBondContact CA-OG 3.33Å
109	F	98.1	Very high	97.8	Very high	16 Å²	16	53 Å²	53	7%	0.07	29%	0.287	C	S	.	.			trans	-148.6	154.7	176.6	53.4	-94.4	0	0	0	110	L73 R77 A79 F100 T101 S143	L73-F109 HydrophobicContact CD1-CD2 3.84Å; L73-F109 HydrophobicContact CD1-CE2 3.54Å; L73-F109 HydrophobicContact CG-CE2 4.49Å; R77-F109 HydrophobicContact CB-CE2 4.02Å; R77-F109 HydrophobicContact CB-CZ 3.67Å; R77-F109 HydrophobicContact CG-CZ 4.28Å; A79-F109 HydrophobicContact CB-CD2 4.45Å; A79-F109 HydrophobicContact CB-CE2 3.76Å; A79-F109 HydrophobicContact CB-CZ 4.5Å; F100-F109 AromaticContact CE2-CD1 3.92Å; F100-F109 HydrophobicContact CE2-CD1 3.92Å; F100-F109 AromaticContact CE2-CE1 3.39Å; F100-F109 HydrophobicContact CE2-CE1 3.39Å; F100-F109 HydrophobicContact CE2-CE2 4.07Å; F100-F109 HydrophobicContact CE2-CG 4.47Å; F100-F109 AromaticContact CE2-CZ 3.45Å; F100-F109 HydrophobicContact CE2-CZ 3.45Å; F100-F109 VanDerWaalsContact CE2-CZ 3.45Å; F100-F109 AromaticContact CZ-CD1 3.93Å; F100-F109 HydrophobicContact CZ-CD1 3.93Å; F100-F109 HydrophobicContact CZ-CD2 4.04Å; F100-F109 AromaticContact CZ-CE1 3.8Å; F100-F109 HydrophobicContact CZ-CE1 3.8Å; F100-F109 AromaticContact CZ-CE2 3.89Å; F100-F109 HydrophobicContact CZ-CE2 3.89Å; F100-F109 HydrophobicContact CZ-CG 4.05Å; F100-F109 AromaticContact CZ-CZ 3.75Å; F100-F109 HydrophobicContact CZ-CZ 3.75Å; T101-F109 HydrophobicContact CG2-CD1 3.98Å; T101-F109 HydrophobicContact CG2-CE1 3.69Å; F109-S143 PolarHBondContact N-OG 2.99Å; F109-S143 WeakPolarHBondContact O-CB 3.29Å
110	S	98.2	Very high	97.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-83.7	167.7	177.1	79	0	0	0	0	111.5	N63 Y112 G113	N63-S110 VanDerWaalsContact OD1-CA 3.25Å; N63-S110 WeakPolarHBondContact OD1-CA 3.42Å; N63-S110 VanDerWaalsContact OD1-CB 3.26Å; N63-S110 WeakPolarHBondContact OD1-CB 3.31Å; S110-Y112 PolarHBondContact O-N 3.23Å; S110-Y112 VanDerWaalsContact O-N 3.15Å; S110-Y112 WeakPolarHBondContact OG-CB 3.36Å; S110-Y112 PolarHBondContact OG-N 2.86Å; S110-G113 CarbonylContact C-O 3.41Å; S110-G113 WeakPolarHBondContact CA-O 3.39Å; S110-G113 WeakPolarHBondContact CB-O 3.33Å; S110-G113 PolarHBondContact N-O 3.43Å; S110-G113 PolarHBondContact O-N 2.86Å; S110-G113 VanDerWaalsContact O-O 3.11Å; S110-G113 PolarHBondContact OG-N 3.34Å; S110-G113 PolarHBondContact OG-O 2.71Å
111	I	98.1	Very high	97.8	Very high	36 Å²	36	57.1 Å²	57.1	19%	0.185	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.5	170	68.9	172.9	0	0	0	113.2	E62 N63 Q66 L67 L73	E62-I111 HydrophobicContact CG-CD1 4.13Å; N63-I111 HydrophobicContact CB-CG1 4.25Å; N63-I111 PolarHBondContact OD1-N 2.93Å; Q66-I111 HydrophobicContact CB-CD1 4.04Å; Q66-I111 HydrophobicContact CB-CG2 3.69Å; Q66-I111 HydrophobicContact CG-CD1 3.82Å; L67-I111 HydrophobicContact CG-CG2 4.41Å; L73-I111 HydrophobicContact CD2-CB 4.17Å; L73-I111 HydrophobicContact CD2-CG2 4.36Å
112	Y	97.1	Very high	97.9	Very high	104 Å²	104	62 Å²	62	41%	0.408	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.5	-179.2	-49.4	-56.5	0	0	0	113.2	K59 N63 S110 F116	K59-Y112 HydrophobicContact CB-CE2 4.38Å; K59-Y112 PolarHBondContact O-OH 3.12Å; N63-Y112 HydrophobicContact CB-CD2 4.47Å; N63-Y112 HydrophobicContact CB-CE2 3.8Å; S110-Y112 PolarHBondContact O-N 3.23Å; S110-Y112 VanDerWaalsContact O-N 3.15Å; S110-Y112 WeakPolarHBondContact OG-CB 3.36Å; S110-Y112 PolarHBondContact OG-N 2.86Å; Y112-F116 HydrophobicContact CD2-CB 4.04Å; Y112-F116 HydrophobicContact CD2-CD1 4.2Å; Y112-F116 HydrophobicContact CD2-CG 4.01Å
113	G	96.2	Very high	97.8	Very high	21 Å²	21	59 Å²	59	22%	0.216	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	122.8	-169.3	-170.2	0	0	0	0	0	111.4	S110 R115	S110-G113 CarbonylContact C-O 3.41Å; S110-G113 WeakPolarHBondContact CA-O 3.39Å; S110-G113 WeakPolarHBondContact CB-O 3.33Å; S110-G113 PolarHBondContact N-O 3.43Å; S110-G113 PolarHBondContact O-N 2.86Å; S110-G113 VanDerWaalsContact O-O 3.11Å; S110-G113 PolarHBondContact OG-N 3.34Å; S110-G113 PolarHBondContact OG-O 2.71Å; G113-R115 VanDerWaalsContact C-N 3.26Å; G113-R115 PolarHBondContact O-N 3.41Å
114	D	95.8	Very high	97.9	Very high	106 Å²	106	63.2 Å²	63.2	57%	0.567	32%	0.319	S	S	*	.	S	Bend	trans	-65.3	-30.8	-172.1	-59.9	-20.6	0	0	0	112.8	R77	R77-D114 IonicContact CZ-OD1 2.82Å; R77-D114 IonicContact NH1-OD1 2.75Å; R77-D114 PolarHBondContact NH1-OD1 3.43Å; R77-D114 IonicContact NH2-OD1 3.52Å
115	R	97.2	Very high	97.9	Very high	170 Å²	170	59.1 Å²	59.1	64%	0.642	30%	0.298	S	S	*	.			trans	-142	154.5	177.3	-66.6	176.4	179.9	141.7	4.7	112.5	G113 N141	G113-R115 VanDerWaalsContact C-N 3.26Å; G113-R115 PolarHBondContact O-N 3.41Å; R115-N141 CarbonylContact C-O 3.5Å; R115-N141 WeakPolarHBondContact CA-O 3.42Å
116	F	98.6	Very high	97.8	Very high	13 Å²	13	59.7 Å²	59.7	6%	0.057	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-137.5	152.9	167.7	70.8	-82.8	0	0	0	112.6	T60 Y112 M133 D139 N141 G142	T60-F116 HydrophobicContact CG2-CE2 4.45Å; T60-F116 HydrophobicContact CG2-CZ 4.29Å; Y112-F116 HydrophobicContact CD2-CB 4.04Å; Y112-F116 HydrophobicContact CD2-CD1 4.2Å; Y112-F116 HydrophobicContact CD2-CG 4.01Å; F116-M133 HydrophobicContact CE1-CE 4.04Å; F116-M133 HydrophobicContact CZ-CE 4Å; F116-M133 HydrophobicContact CZ-SD 4.45Å; F116-D139 CarbonylContact O-C 3.56Å; F116-N141 HydrophobicContact CD1-CB 3.71Å; F116-N141 WeakPolarHBondContact CD1-O 3.41Å; F116-N141 HydrophobicContact CD2-CB 4.06Å; F116-N141 HydrophobicContact CE1-CB 3.35Å; F116-N141 HydrophobicContact CE2-CB 3.73Å; F116-N141 HydrophobicContact CG-CB 4.05Å; F116-N141 HydrophobicContact CZ-CB 3.37Å; F116-N141 PolarHBondContact N-O 2.82Å; F116-N141 WeakPolarHBondContact O-CB 3.39Å; F116-N141 PolarHBondContact O-N 3.38Å; F116-N141 PolarHBondContact O-ND2 2.8Å; F116-N141 VanDerWaalsContact O-ND2 3.14Å; F116-G142 WeakPolarHBondContact CE1-O 3.48Å
117	P	98.6	Very high	97.8	Very high	85 Å²	85	54.8 Å²	54.8	55%	0.552	27%	0.265	S	S	*	.			trans	-62.6	158.6	-177.6	-24.8	35.7	0	0	0	114.8	E119 D139 N141	P117-E119 PolarHBondContact O-N 3.43Å; P117-D139 VanDerWaalsContact CA-OD1 3.28Å; P117-D139 WeakPolarHBondContact CA-OD1 3.19Å; P117-D139 HydrophobicContact CB-CB 4.33Å; P117-D139 WeakPolarHBondContact CB-OD1 3.08Å; P117-N141 PolarHBondContact O-ND2 3.4Å
118	D	98.7	Very high	97.8	Very high	25 Å²	25	54.1 Å²	54.1	13%	0.134	26%	0.259	C	S	.	.			trans	-65.7	111.2	170.2	-66.7	-47	0	0	0	109.8	N120 F121 P138 D139 N141 V160	D118-N120 PolarHBondContact O-N 3.29Å; D118-F121 HydrophobicContact CB-CE1 4.27Å; D118-F121 HydrophobicContact CB-CE2 4.07Å; D118-F121 HydrophobicContact CB-CZ 3.57Å; D118-P138 WeakPolarHBondContact OD2-CA 3.44Å; D118-D139 PolarHBondContact N-OD1 3.08Å; D118-D139 PolarHBondContact OD2-N 2.7Å; D118-N141 PolarHBondContact N-ND2 3.14Å; D118-N141 PolarHBondContact OD1-ND2 2.83Å; D118-V160 HydrophobicContact CB-CG2 3.97Å
119	E	98.6	Very high	97.9	Very high	50 Å²	50	53.2 Å²	53.2	23%	0.234	25%	0.249	C	C	.	.			trans	-67.1	-42.1	-171.4	-176.2	170.5	-164.3	0	0	113.2	V57 P58 K59 T60 P117	V57-E119 VanDerWaalsContact C-CD 3.47Å; V57-E119 VanDerWaalsContact CA-CD 3.47Å; V57-E119 WeakPolarHBondContact CA-OE2 3.01Å; V57-E119 VanDerWaalsContact CB-OE2 3.31Å; V57-E119 WeakPolarHBondContact CB-OE2 3.21Å; V57-E119 HydrophobicContact CG1-CB 4.36Å; V57-E119 HydrophobicContact CG1-CG 4.33Å; P58-E119 WeakPolarHBondContact CD-OE1 3.27Å; P58-E119 VanDerWaalsContact CG-OE1 3.32Å; P58-E119 WeakPolarHBondContact CG-OE1 3.13Å; P58-E119 VanDerWaalsContact N-OE1 3.15Å; K59-E119 PolarHBondContact N-OE1 2.81Å; K59-E119 PolarHBondContact N-OE2 3.25Å; T60-E119 WeakPolarHBondContact CB-OE2 3.22Å; T60-E119 PolarHBondContact N-OE2 3.41Å; T60-E119 PolarHBondContact OG1-OE2 3.14Å; P117-E119 PolarHBondContact O-N 3.43Å
120	N	98.5	Very high	97.9	Very high	33 Å²	33	52.5 Å²	52.5	18%	0.176	25%	0.246	C	C	.	.			trans	-176.9	171.1	166	59.3	86	0	0	0	110.5	T56 V57 D118 K122	T56-N120 PolarHBondContact O-ND2 3.48Å; V57-N120 WeakPolarHBondContact CG1-ND2 3.32Å; D118-N120 PolarHBondContact O-N 3.29Å; N120-K122 HydrophobicContact CB-CG 4.33Å; N120-K122 WeakPolarHBondContact OD1-CB 3.48Å; N120-K122 VanDerWaalsContact OD1-CG 3.29Å; N120-K122 WeakPolarHBondContact OD1-CG 3.5Å; N120-K122 PolarHBondContact OD1-N 3.34Å; N120-K122 VanDerWaalsContact OD1-N 3.15Å
121	F	98.3	Very high	97.9	Very high	81 Å²	81	52.5 Å²	52.5	36%	0.355	25%	0.246	S	C	.	.			trans	-118.5	39.1	175.1	-55.5	-70.8	0	0	0	112.6	D118 L123 G157 V160	D118-F121 HydrophobicContact CB-CE1 4.27Å; D118-F121 HydrophobicContact CB-CE2 4.07Å; D118-F121 HydrophobicContact CB-CZ 3.57Å; F121-L123 PolarHBondContact O-N 3.44Å; F121-G157 WeakPolarHBondContact CE2-O 3.44Å; F121-G157 WeakPolarHBondContact CZ-O 3.26Å; F121-V160 HydrophobicContact CD1-CG2 4.49Å; F121-V160 HydrophobicContact CE1-CG2 4.04Å
122	K	98	Very high	98	Very high	159 Å²	159	50.8 Å²	50.8	69%	0.691	24%	0.237	S	C	*	.			trans	-66.4	-27.8	179.2	-70.8	172.6	175.9	170.6	0	112.9	T56 N120	T56-K122 HydrophobicContact CG2-CB 4.07Å; T56-K122 HydrophobicContact CG2-CD 4.12Å; N120-K122 HydrophobicContact CB-CG 4.33Å; N120-K122 WeakPolarHBondContact OD1-CB 3.48Å; N120-K122 VanDerWaalsContact OD1-CG 3.29Å; N120-K122 WeakPolarHBondContact OD1-CG 3.5Å; N120-K122 PolarHBondContact OD1-N 3.34Å; N120-K122 VanDerWaalsContact OD1-N 3.15Å
123	L	97.9	Very high	98.1	Very high	26 Å²	26	45.9 Å²	45.9	14%	0.136	22%	0.218	C	C	.	.	S	Bend	trans	-103.4	155.8	180	-62.4	176.9	0	0	0	110.7	P28 F53 T56 F121 V161	P28-L123 HydrophobicContact CB-CD1 4.15Å; P28-L123 HydrophobicContact CB-CD2 3.99Å; P28-L123 HydrophobicContact CG-CD1 4.3Å; P28-L123 HydrophobicContact CG-CD2 4.01Å; F53-L123 HydrophobicContact CB-CD1 4.19Å; F53-L123 HydrophobicContact CD2-CD1 3.25Å; F53-L123 HydrophobicContact CE2-CD1 3.84Å; F53-L123 HydrophobicContact CG-CD1 3.99Å; T56-L123 HydrophobicContact CG2-CD1 3.98Å; T56-L123 HydrophobicContact CG2-CG 3.96Å; F121-L123 PolarHBondContact O-N 3.44Å; L123-V161 HydrophobicContact CB-CB 3.73Å; L123-V161 HydrophobicContact CB-CG1 3.77Å; L123-V161 HydrophobicContact CD1-CG1 4.39Å
124	R	98	Very high	98.2	Very high	154 Å²	154	45.3 Å²	45.3	58%	0.581	21%	0.212	S	C	*	.			trans	-130.7	158.7	-173.9	-69.4	-174.3	-66.5	-179.1	-1.5	110.6	V126 D156	R124-V126 VanDerWaalsContact C-N 3.25Å; R124-V126 HydrophobicContact CB-CG1 3.77Å; R124-V126 PolarHBondContact O-N 3.44Å; R124-D156 WeakPolarHBondContact CA-OD1 3.49Å; R124-D156 WeakPolarHBondContact CB-OD1 3.31Å; R124-D156 WeakPolarHBondContact CB-OD2 3.49Å; R124-D156 WeakPolarHBondContact CD-OD2 3.43Å; R124-D156 HydrophobicContact CG-CB 4.27Å
125	H	98.2	Very high	98.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.194	C	C	.	.			trans	-83.3	68.8	179.3	-52.3	81.8	0	0	0	110.4	G127 S132 F146 T148 K151 T152 D156 V161	H125-G127 VanDerWaalsContact C-N 3.33Å; H125-G127 PolarHBondContact O-N 2.92Å; H125-S132 WeakPolarHBondContact NE2-CB 3.44Å; H125-S132 PolarHBondContact NE2-OG 2.81Å; H125-S132 VanDerWaalsContact NE2-OG 3.16Å; H125-F146 AromaticContact CD2-CE2 3.81Å; H125-F146 AromaticContact CD2-CZ 4Å; H125-F146 AromaticContact NE2-CE2 3.81Å; H125-F146 AromaticContact NE2-CZ 3.5Å; H125-F146 WeakPolarHBondContact NE2-CZ 3.29Å; H125-T148 HydrophobicContact CB-CG2 4.46Å; H125-K151 VanDerWaalsContact O-CG 3.3Å; H125-K151 WeakPolarHBondContact O-CG 3.25Å; H125-T152 WeakPolarHBondContact CB-OG1 3.22Å; H125-T152 PolarHBondContact O-N 2.88Å; H125-D156 IonicContact CE1-OD1 3.7Å; H125-D156 IonicContact CG-OD1 3.27Å; H125-D156 PolarHBondContact N-OD1 3.44Å; H125-D156 IonicContact ND1-OD1 3.44Å; H125-D156 PolarHBondContact ND1-OD1 2.91Å; H125-V161 WeakPolarHBondContact CE1-CG2 3.44Å; H125-V161 WeakPolarHBondContact NE2-CG2 3.41Å
126	V	96.8	Very high	98.2	Very high	38 Å²	38	38.3 Å²	38.3	23%	0.23	20%	0.2	C	C	.	.			trans	-80	-9.5	-165.2	-62.6	0	0	0	0	115	R124 W130 N208	R124-V126 VanDerWaalsContact C-N 3.25Å; R124-V126 HydrophobicContact CB-CG1 3.77Å; R124-V126 PolarHBondContact O-N 3.44Å; V126-W130 HydrophobicContact CG2-CD2 4.26Å; V126-W130 HydrophobicContact CG2-CH2 4.23Å; V126-W130 HydrophobicContact CG2-CZ2 3.34Å; V126-N208 HydrophobicContact CG2-CB 4.08Å; V126-N208 WeakPolarHBondContact CG2-O 3.39Å
127	G	97.5	Very high	98.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-176.6	-167.7	-177.2	0	0	0	0	0	112.4	H125 W130 T148 D210	H125-G127 VanDerWaalsContact C-N 3.33Å; H125-G127 PolarHBondContact O-N 2.92Å; G127-W130 VanDerWaalsContact O-CD1 3.26Å; G127-T148 PolarHBondContact O-OG1 3.49Å; G127-D210 WeakPolarHBondContact CA-OD1 3.43Å
128	A	98.5	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	148.2	175.8	0	0	0	0	0	112.4	T149 M169 R173 D210 A211	A128-T149 VanDerWaalsContact CB-O 3.28Å; A128-T149 WeakPolarHBondContact CB-O 3.21Å; A128-M169 HydrophobicContact CB-CE 3.95Å; A128-R173 VanDerWaalsContact CB-NH2 3.3Å; A128-D210 HydrophobicContact CB-CB 4.08Å; A128-D210 PolarHBondContact N-OD1 3.09Å; A128-A211 PolarHBondContact O-N 2.88Å
129	G	98.6	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	0.9	176.1	0	0	0	0	0	114.6	T148 K164 V165	G129-T148 PolarHBondContact N-O 2.68Å; G129-K164 CarbonylContact O-C 3.49Å; G129-K164 VanDerWaalsContact O-CA 3.27Å; G129-K164 WeakPolarHBondContact O-CA 3.41Å; G129-K164 WeakPolarHBondContact O-CG 3.25Å; G129-V165 PolarHBondContact O-N 2.99Å
130	W	98.7	Very high	98.1	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	135.3	174.9	-70.6	78.3	0	0	0	111	P28 F53 V126 G127 T148 V161 K164	P28-W130 HydrophobicContact CG-CH2 3.89Å; P28-W130 HydrophobicContact CG-CZ3 4.03Å; F53-W130 AromaticContact CE2-CE3 3.86Å; F53-W130 HydrophobicContact CE2-CE3 3.86Å; F53-W130 HydrophobicContact CE2-CH2 4.46Å; F53-W130 AromaticContact CE2-CZ3 3.48Å; F53-W130 HydrophobicContact CE2-CZ3 3.48Å; F53-W130 VanDerWaalsContact CE2-CZ3 3.48Å; F53-W130 HydrophobicContact CZ-CE3 4.23Å; F53-W130 HydrophobicContact CZ-CH2 4.38Å; F53-W130 AromaticContact CZ-CZ3 3.76Å; F53-W130 HydrophobicContact CZ-CZ3 3.76Å; V126-W130 HydrophobicContact CG2-CD2 4.26Å; V126-W130 HydrophobicContact CG2-CH2 4.23Å; V126-W130 HydrophobicContact CG2-CZ2 3.34Å; G127-W130 VanDerWaalsContact O-CD1 3.26Å; W130-T148 WeakPolarHBondContact CA-OG1 3.42Å; W130-T148 WeakPolarHBondContact CB-OG1 3.39Å; W130-T148 PolarHBondContact N-OG1 3.34Å; W130-T148 PolarHBondContact O-N 3.26Å; W130-T148 PolarHBondContact O-OG1 3.05Å; W130-V161 HydrophobicContact CD2-CG1 4.49Å; W130-V161 HydrophobicContact CE3-CG1 3.46Å; W130-V161 VanDerWaalsContact CE3-CG1 3.46Å; W130-V161 HydrophobicContact CZ3-CG1 3.97Å; W130-K164 HydrophobicContact CD2-CD 4.49Å; W130-K164 HydrophobicContact CD2-CG 4.41Å; W130-K164 HydrophobicContact CG-CG 4.48Å; W130-K164 HydrophobicContact CZ2-CD 4.28Å
131	L	98.9	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.4	-179.4	177.7	70.6	0	0	0	110.2	I50 L52 F64 F145 F146 I147 F162 G163	I50-L131 HydrophobicContact CD1-CD2 4.25Å; I50-L131 HydrophobicContact CG2-CB 4.24Å; I50-L131 HydrophobicContact CG2-CD2 3.53Å; I50-L131 HydrophobicContact CG2-CG 4.47Å; L52-L131 HydrophobicContact CD2-CD2 3.99Å; F64-L131 HydrophobicContact CD1-CD2 4.22Å; F64-L131 HydrophobicContact CE1-CD2 3.66Å; F64-L131 HydrophobicContact CE2-CD1 4.47Å; F64-L131 HydrophobicContact CE2-CD2 4.24Å; F64-L131 HydrophobicContact CZ-CD1 4.17Å; F64-L131 HydrophobicContact CZ-CD2 3.69Å; L131-F145 HydrophobicContact CD1-CB 4.05Å; L131-F145 HydrophobicContact CD1-CD2 3.39Å; L131-F145 HydrophobicContact CD1-CE2 4.14Å; L131-F145 HydrophobicContact CD1-CG 4.02Å; L131-F146 WeakPolarHBondContact CA-O 3.44Å; L131-I147 HydrophobicContact CD1-CG1 3.77Å; L131-F162 HydrophobicContact CD1-CZ 4.08Å; L131-F162 HydrophobicContact CD2-CD2 3.92Å; L131-F162 HydrophobicContact CD2-CE1 4.36Å; L131-F162 HydrophobicContact CD2-CE2 3.19Å; L131-F162 HydrophobicContact CD2-CZ 3.46Å; L131-F162 VanDerWaalsContact CD2-CZ 3.46Å; L131-F162 HydrophobicContact CG-CD2 4.34Å; L131-F162 HydrophobicContact CG-CE1 3.94Å; L131-F162 HydrophobicContact CG-CE2 3.69Å; L131-F162 HydrophobicContact CG-CZ 3.46Å; L131-F162 VanDerWaalsContact CG-CZ 3.46Å; L131-F162 PolarHBondContact O-N 2.98Å; L131-G163 PolarHBondContact N-O 2.81Å; L131-G163 PolarHBondContact O-N 3.42Å
132	S	98.8	Very high	98.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.1	-178.1	-175.9	0	0	0	0	113.1	H125 F145 F146 H159 V160	H125-S132 WeakPolarHBondContact NE2-CB 3.44Å; H125-S132 PolarHBondContact NE2-OG 2.81Å; H125-S132 VanDerWaalsContact NE2-OG 3.16Å; S132-F145 CarbonylContact O-C 3.43Å; S132-F145 VanDerWaalsContact O-CA 3.27Å; S132-F145 WeakPolarHBondContact O-CA 3.43Å; S132-F146 PolarHBondContact N-O 2.81Å; S132-F146 PolarHBondContact O-N 3.15Å; S132-H159 WeakPolarHBondContact OG-CB 3.42Å; S132-V160 VanDerWaalsContact CA-O 3.24Å; S132-V160 WeakPolarHBondContact CA-O 3.33Å; S132-V160 WeakPolarHBondContact CB-O 3.13Å; S132-V160 VanDerWaalsContact OG-C 3.25Å; S132-V160 PolarHBondContact OG-O 3.02Å
133	M	98.9	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.8	-179.5	-69.7	-56.9	-62.1	0	0	110.5	T60 F116 N141 G142 Q144 F146 H159 V160 F162	T60-M133 HydrophobicContact CG2-CG 3.67Å; T60-M133 HydrophobicContact CG2-SD 3.99Å; F116-M133 HydrophobicContact CE1-CE 4.04Å; F116-M133 HydrophobicContact CZ-CE 4Å; F116-M133 HydrophobicContact CZ-SD 4.45Å; M133-N141 WeakPolarHBondContact CB-OD1 3.44Å; M133-N141 HydrophobicContact CE-CB 4.05Å; M133-G142 WeakPolarHBondContact CE-O 3.24Å; M133-Q144 WeakPolarHBondContact CE-O 3.27Å; M133-F146 WeakPolarHBondContact O-CE1 3.21Å; M133-H159 PolarHBondContact O-ND1 3.37Å; M133-V160 HydrophobicContact CG-CB 4.39Å; M133-V160 PolarHBondContact N-O 3.47Å; M133-F162 HydrophobicContact CB-CE1 4.38Å; M133-F162 HydrophobicContact CG-CD1 3.8Å; M133-F162 HydrophobicContact CG-CE1 3.62Å; M133-F162 HydrophobicContact SD-CD1 4.06Å; M133-F162 HydrophobicContact SD-CE1 3.38Å; M133-F162 WeakPolarHBondContact SD-CE1 3.37Å; M133-F162 HydrophobicContact SD-CZ 3.83Å
134	A	98.6	Very high	98.2	Very high	10 Å²	10	29.1 Å²	29.1	8%	0.083	17%	0.173	C	C	.	.			trans	-77.3	143.5	162.5	0	0	0	0	0	109.1	Q144 F146	A134-Q144 HydrophobicContact CB-CB 3.77Å; A134-Q144 PolarHBondContact N-O 3.09Å; A134-F146 HydrophobicContact CB-CD1 4.34Å
135	N	98	Very high	98.3	Very high	38 Å²	38	21.8 Å²	21.8	20%	0.203	15%	0.146	C	C	.	.			trans	-147.4	166.1	177.7	68.9	32.6	0	0	0	110	G137 T140 K158 H159	N135-G137 PolarHBondContact OD1-N 2.96Å; N135-T140 WeakPolarHBondContact CB-OG1 3.45Å; N135-K158 PolarHBondContact ND2-O 2.64Å; N135-H159 PolarHBondContact OD1-CE1 3.23Å; N135-H159 VanDerWaalsContact OD1-CE1 3.24Å
136	A	96.7	Very high	98.3	Very high	91 Å²	91	22.1 Å²	22.1	75%	0.752	15%	0.147	S	C	*	.	S	Bend	trans	-109.4	33.1	176.9	0	0	0	0	0	111.4	T140	A136-T140 PolarHBondContact N-OG1 2.83Å
137	G	97	Very high	98.4	Very high	25 Å²	25	20.3 Å²	20.3	26%	0.258	14%	0.136	S	C	.	.	S	Bend	trans	121.1	175.1	-170.8	0	0	0	0	0	112.5	N135 T140	N135-G137 PolarHBondContact OD1-N 2.96Å; G137-T140 PolarHBondContact N-OG1 3Å; G137-T140 PolarHBondContact O-N 3.31Å; G137-T140 PolarHBondContact O-OG1 3.49Å
138	P	97.8	Very high	98.4	Very high	103 Å²	103	20.3 Å²	20.3	67%	0.669	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	140.3	-178.4	-25.9	34.7	0	0	0	112.6	D118 T140	D118-P138 WeakPolarHBondContact OD2-CA 3.44Å; P138-T140 VanDerWaalsContact C-N 3.25Å; P138-T140 WeakPolarHBondContact O-CG2 3.46Å; P138-T140 PolarHBondContact O-N 2.87Å
139	D	98.2	Very high	98.5	Very high	86 Å²	86	20.3 Å²	20.3	46%	0.46	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	27.9	174.2	-57	-47.1	0	0	0	115.5	F116 P117 D118	F116-D139 CarbonylContact O-C 3.56Å; P117-D139 VanDerWaalsContact CA-OD1 3.28Å; P117-D139 WeakPolarHBondContact CA-OD1 3.19Å; P117-D139 HydrophobicContact CB-CB 4.33Å; P117-D139 WeakPolarHBondContact CB-OD1 3.08Å; D118-D139 PolarHBondContact N-OD1 3.08Å; D118-D139 PolarHBondContact OD2-N 2.7Å
140	T	98.6	Very high	98.4	Very high	29 Å²	29	22.5 Å²	22.5	18%	0.178	15%	0.149	C	C	.	.			trans	-113.5	25.8	179.6	65.1	0	0	0	0	114.4	N135 A136 G137 P138 G142	N135-T140 WeakPolarHBondContact CB-OG1 3.45Å; A136-T140 PolarHBondContact N-OG1 2.83Å; G137-T140 PolarHBondContact N-OG1 3Å; G137-T140 PolarHBondContact O-N 3.31Å; G137-T140 PolarHBondContact O-OG1 3.49Å; P138-T140 VanDerWaalsContact C-N 3.25Å; P138-T140 WeakPolarHBondContact O-CG2 3.46Å; P138-T140 PolarHBondContact O-N 2.87Å; T140-G142 PolarHBondContact O-N 3.14Å
141	N	98.8	Very high	98.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-64.2	132.3	178.3	-56.1	-77.5	0	0	0	110.7	R115 F116 P117 D118 M133	R115-N141 CarbonylContact C-O 3.5Å; R115-N141 WeakPolarHBondContact CA-O 3.42Å; F116-N141 HydrophobicContact CD1-CB 3.71Å; F116-N141 WeakPolarHBondContact CD1-O 3.41Å; F116-N141 HydrophobicContact CD2-CB 4.06Å; F116-N141 HydrophobicContact CE1-CB 3.35Å; F116-N141 HydrophobicContact CE2-CB 3.73Å; F116-N141 HydrophobicContact CG-CB 4.05Å; F116-N141 HydrophobicContact CZ-CB 3.37Å; F116-N141 PolarHBondContact N-O 2.82Å; F116-N141 WeakPolarHBondContact O-CB 3.39Å; F116-N141 PolarHBondContact O-N 3.38Å; F116-N141 PolarHBondContact O-ND2 2.8Å; F116-N141 VanDerWaalsContact O-ND2 3.14Å; P117-N141 PolarHBondContact O-ND2 3.4Å; D118-N141 PolarHBondContact N-ND2 3.14Å; D118-N141 PolarHBondContact OD1-ND2 2.83Å; M133-N141 WeakPolarHBondContact CB-OD1 3.44Å; M133-N141 HydrophobicContact CE-CB 4.05Å
142	G	98.5	Very high	98.4	Very high	9 Å²	9	28.2 Å²	28.2	9%	0.093	17%	0.174	C	C	.	.			trans	-124.1	-109.7	177	0	0	0	0	0	111	N63 F116 M133 T140	N63-G142 PolarHBondContact ND2-O 2.79Å; F116-G142 WeakPolarHBondContact CE1-O 3.48Å; M133-G142 WeakPolarHBondContact CE-O 3.24Å; T140-G142 PolarHBondContact O-N 3.14Å
143	S	98.7	Very high	98.3	Very high	1 Å²	1	31 Å²	31	1%	0.007	19%	0.193	C	C	.	.	S	Bend	trans	-116.2	-16.4	173.5	59.9	0	0	0	0	114.3	Y81 G98 F100 G108 F109	Y81-S143 VanDerWaalsContact CE1-O 3.26Å; Y81-S143 WeakPolarHBondContact CE1-O 3.42Å; Y81-S143 PolarHBondContact OH-O 3.26Å; G98-S143 WeakPolarHBondContact O-CB 3.38Å; G98-S143 PolarHBondContact O-OG 2.87Å; F100-S143 WeakPolarHBondContact CE1-OG 3.36Å; G108-S143 WeakPolarHBondContact CA-OG 3.33Å; F109-S143 PolarHBondContact N-OG 2.99Å; F109-S143 WeakPolarHBondContact O-CB 3.29Å
144	Q	98.8	Very high	98.3	Very high	26 Å²	26	37.7 Å²	37.7	12%	0.121	22%	0.219	C	C	.	.			trans	-70.2	143.4	-176.8	-66.6	-175.5	46	0	0	111.4	H87 G97 D99 G105 G107 M133 A134	H87-Q144 PolarHBondContact CE1-OE1 2.88Å; H87-Q144 PolarHBondContact NE2-OE1 2.98Å; G97-Q144 VanDerWaalsContact O-CA 3.27Å; G97-Q144 WeakPolarHBondContact O-CA 3.46Å; D99-Q144 HydrophobicContact CB-CG 4Å; G105-Q144 PolarHBondContact O-NE2 3.01Å; G107-Q144 PolarHBondContact O-NE2 2.88Å; M133-Q144 WeakPolarHBondContact CE-O 3.27Å; A134-Q144 HydrophobicContact CB-CB 3.77Å; A134-Q144 PolarHBondContact N-O 3.09Å
145	F	98.9	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	163.9	-177.4	67.6	-89.4	0	0	0	110.1	F36 F64 Y81 F86 Q96 G97 L131 S132 I147 F162 I192	F36-F145 HydrophobicContact CD2-CZ 4.37Å; F36-F145 HydrophobicContact CE2-CE1 4.25Å; F36-F145 AromaticContact CE2-CE2 3.94Å; F36-F145 HydrophobicContact CE2-CE2 3.94Å; F36-F145 AromaticContact CE2-CZ 3.49Å; F36-F145 HydrophobicContact CE2-CZ 3.49Å; F36-F145 VanDerWaalsContact CE2-CZ 3.49Å; F36-F145 HydrophobicContact CZ-CE1 4.36Å; F36-F145 HydrophobicContact CZ-CZ 4.03Å; F64-F145 HydrophobicContact CE2-CB 3.94Å; F64-F145 AromaticContact CE2-CD1 3.51Å; F64-F145 HydrophobicContact CE2-CD1 3.51Å; F64-F145 HydrophobicContact CE2-CD2 4.23Å; F64-F145 AromaticContact CE2-CE1 3.97Å; F64-F145 HydrophobicContact CE2-CE1 3.97Å; F64-F145 AromaticContact CE2-CG 3.63Å; F64-F145 HydrophobicContact CE2-CG 3.63Å; F64-F145 HydrophobicContact CZ-CD1 4.15Å; F64-F145 HydrophobicContact CZ-CD2 4.33Å; F64-F145 HydrophobicContact CZ-CE1 4.24Å; F64-F145 HydrophobicContact CZ-CE2 4.44Å; F64-F145 HydrophobicContact CZ-CG 4.18Å; F64-F145 HydrophobicContact CZ-CZ 4.39Å; Y81-F145 HydrophobicContact CD1-CE1 4.24Å; Y81-F145 HydrophobicContact CE1-CD1 4.07Å; Y81-F145 AromaticContact CE1-CE1 3.98Å; Y81-F145 HydrophobicContact CE1-CE1 3.98Å; Y81-F145 HydrophobicContact CE2-CE1 4.42Å; Y81-F145 AromaticContact CZ-CD1 3.95Å; F86-F145 AromaticContact CE1-CE2 3.91Å; F86-F145 HydrophobicContact CE1-CE2 3.91Å; F86-F145 HydrophobicContact CE1-CZ 4.11Å; F86-F145 HydrophobicContact CZ-CE2 4.28Å; F86-F145 HydrophobicContact CZ-CZ 4.2Å; Q96-F145 WeakPolarHBondContact CA-O 3.35Å; G97-F145 PolarHBondContact N-O 2.79Å; G97-F145 PolarHBondContact O-N 3.01Å; L131-F145 HydrophobicContact CD1-CB 4.05Å; L131-F145 HydrophobicContact CD1-CD2 3.39Å; L131-F145 HydrophobicContact CD1-CE2 4.14Å; L131-F145 HydrophobicContact CD1-CG 4.02Å; S132-F145 CarbonylContact O-C 3.43Å; S132-F145 VanDerWaalsContact O-CA 3.27Å; S132-F145 WeakPolarHBondContact O-CA 3.43Å; F145-I147 HydrophobicContact CD2-CG1 4.44Å; F145-I147 HydrophobicContact CE2-CD1 4.44Å; F145-I147 HydrophobicContact CE2-CG1 4.35Å; F145-F162 HydrophobicContact CB-CZ 4.34Å; F145-I192 HydrophobicContact CZ-CD1 4.12Å
146	F	98.9	Very high	98.2	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.7	168.5	62.8	-89.2	0	0	0	111.9	M94 I95 Q96 H125 L131 S132 M133 A134 T148 L155 H159	M94-F146 HydrophobicContact CB-CB 4.26Å; M94-F146 HydrophobicContact CB-CD2 4.08Å; M94-F146 HydrophobicContact CG-CB 4.35Å; M94-F146 HydrophobicContact CG-CD2 4.47Å; M94-F146 HydrophobicContact SD-CB 3.88Å; I95-F146 CarbonylContact O-C 3.52Å; I95-F146 WeakPolarHBondContact O-CA 3.12Å; I95-F146 WeakPolarHBondContact O-CB 3.22Å; Q96-F146 HydrophobicContact CB-CB 4.07Å; H125-F146 AromaticContact CD2-CE2 3.81Å; H125-F146 AromaticContact CD2-CZ 4Å; H125-F146 AromaticContact NE2-CE2 3.81Å; H125-F146 AromaticContact NE2-CZ 3.5Å; H125-F146 WeakPolarHBondContact NE2-CZ 3.29Å; L131-F146 WeakPolarHBondContact CA-O 3.44Å; S132-F146 PolarHBondContact N-O 2.81Å; S132-F146 PolarHBondContact O-N 3.15Å; M133-F146 WeakPolarHBondContact O-CE1 3.21Å; A134-F146 HydrophobicContact CB-CD1 4.34Å; F146-T148 HydrophobicContact CD2-CG2 4.05Å; F146-T148 HydrophobicContact CE2-CG2 3.81Å; F146-L155 HydrophobicContact CE1-CD1 4.5Å; F146-L155 HydrophobicContact CE2-CD1 3.75Å; F146-L155 HydrophobicContact CZ-CD1 3.58Å; F146-H159 HydrophobicContact CE1-CB 4.08Å; F146-H159 AromaticContact CE1-CG 3.99Å; F146-H159 AromaticContact CE1-ND1 3.88Å; F146-H159 HydrophobicContact CZ-CB 4.02Å
147	I	98.9	Very high	98.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.7	170	-57.5	173.8	0	0	0	107.1	I50 M94 I95 L131 F145 V165 V172	I50-I147 HydrophobicContact CD1-CD1 4.15Å; M94-I147 CarbonylContact C-O 3.53Å; M94-I147 VanDerWaalsContact CA-O 3.25Å; M94-I147 WeakPolarHBondContact CA-O 3.36Å; M94-I147 WeakPolarHBondContact CB-O 3.28Å; I95-I147 HydrophobicContact CD1-CB 4.39Å; I95-I147 HydrophobicContact CD1-CD1 4.37Å; I95-I147 HydrophobicContact CG1-CB 3.87Å; I95-I147 PolarHBondContact N-O 2.87Å; I95-I147 PolarHBondContact O-N 2.93Å; L131-I147 HydrophobicContact CD1-CG1 3.77Å; F145-I147 HydrophobicContact CD2-CG1 4.44Å; F145-I147 HydrophobicContact CE2-CD1 4.44Å; F145-I147 HydrophobicContact CE2-CG1 4.35Å; I147-V165 HydrophobicContact CD1-CG2 4.19Å; I147-V165 HydrophobicContact CG2-CG2 3.74Å; I147-V172 HydrophobicContact CD1-CG2 4.28Å; I147-V172 HydrophobicContact CG2-CG1 4.04Å; I147-V172 HydrophobicContact CG2-CG2 4.35Å
148	T	98.8	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	142.1	177.4	53.3	0	0	0	0	111.2	H125 G127 G129 W130 F146 V150 T152	H125-T148 HydrophobicContact CB-CG2 4.46Å; G127-T148 PolarHBondContact O-OG1 3.49Å; G129-T148 PolarHBondContact N-O 2.68Å; W130-T148 WeakPolarHBondContact CA-OG1 3.42Å; W130-T148 WeakPolarHBondContact CB-OG1 3.39Å; W130-T148 PolarHBondContact N-OG1 3.34Å; W130-T148 PolarHBondContact O-N 3.26Å; W130-T148 PolarHBondContact O-OG1 3.05Å; F146-T148 HydrophobicContact CD2-CG2 4.05Å; F146-T148 HydrophobicContact CE2-CG2 3.81Å; T148-V150 WeakPolarHBondContact CB-O 3.32Å; T148-T152 HydrophobicContact CG2-CG2 4.11Å; T148-T152 WeakPolarHBondContact CG2-OG1 3.17Å
149	T	98.6	Very high	98.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-109.8	-9	174.9	66	0	0	0	0	112.1	F93 I95 A128 V172 R173 E176	F93-T149 VanDerWaalsContact C-OG1 3.24Å; F93-T149 PolarHBondContact N-OG1 2.99Å; F93-T149 VanDerWaalsContact N-OG1 3.11Å; F93-T149 PolarHBondContact O-N 3.15Å; F93-T149 PolarHBondContact O-OG1 3.38Å; I95-T149 HydrophobicContact CG2-CG2 4.43Å; A128-T149 VanDerWaalsContact CB-O 3.28Å; A128-T149 WeakPolarHBondContact CB-O 3.21Å; T149-V172 HydrophobicContact CG2-CG1 4.14Å; T149-R173 PolarHBondContact O-NH1 2.94Å; T149-R173 PolarHBondContact O-NH2 2.93Å; T149-E176 WeakPolarHBondContact CB-OE1 3.18Å; T149-E176 WeakPolarHBondContact CB-OE2 3.48Å; T149-E176 HydrophobicContact CG2-CB 4.11Å; T149-E176 VanDerWaalsContact CG2-CD 3.46Å; T149-E176 HydrophobicContact CG2-CG 4.01Å; T149-E176 PolarHBondContact OG1-OE1 2.82Å
150	V	98.3	Very high	98.4	Very high	45 Å²	45	33.5 Å²	33.5	27%	0.273	17%	0.174	S	C	.	.	S	Bend	trans	-144.5	175.9	172.1	-62.1	0	0	0	0	108.7	S92 T148 T152	S92-V150 WeakPolarHBondContact O-CG2 3.45Å; T148-V150 WeakPolarHBondContact CB-O 3.32Å; V150-T152 HydrophobicContact CG2-CG2 4.16Å; V150-T152 PolarHBondContact O-N 3.4Å
151	K	98.2	Very high	98.4	Very high	122 Å²	122	32.2 Å²	32.2	53%	0.53	17%	0.166	S	C	.	.			trans	-64.1	128.5	168.2	-177.4	179.7	-179.9	178.1	0	110.9	H125	H125-K151 VanDerWaalsContact O-CG 3.3Å; H125-K151 WeakPolarHBondContact O-CG 3.25Å
152	T	97.6	Very high	98.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.			trans	-125.4	52.1	-176.7	58.7	0	0	0	0	112.6	F93 H125 T148 V150 W154 L155	F93-T152 HydrophobicContact CD2-CG2 3.53Å; F93-T152 HydrophobicContact CE2-CG2 3.7Å; H125-T152 WeakPolarHBondContact CB-OG1 3.22Å; H125-T152 PolarHBondContact O-N 2.88Å; T148-T152 HydrophobicContact CG2-CG2 4.11Å; T148-T152 WeakPolarHBondContact CG2-OG1 3.17Å; V150-T152 HydrophobicContact CG2-CG2 4.16Å; V150-T152 PolarHBondContact O-N 3.4Å; T152-W154 HydrophobicContact CG2-CH2 3.94Å; T152-W154 HydrophobicContact CG2-CZ2 3.71Å; T152-W154 PolarHBondContact O-N 3.04Å; T152-L155 WeakPolarHBondContact O-CB 3.27Å; T152-L155 PolarHBondContact O-N 2.94Å
153	S	97.8	Very high	98.5	Very high	58 Å²	58	31.8 Å²	31.8	41%	0.406	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-61.3	-15.5	-171.7	56.2	0	0	0	0	115.5	L155 D156	S153-L155 PolarHBondContact O-N 3.47Å; S153-D156 WeakPolarHBondContact O-CB 3.48Å; S153-D156 PolarHBondContact O-N 2.68Å
154	W	98	Very high	98.5	Very high	142 Å²	142	32.2 Å²	32.2	54%	0.538	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-68.8	-12.6	173.2	57.5	88	0	0	0	113.8	F93 T152	F93-W154 AromaticContact CD2-CZ2 3.7Å; F93-W154 HydrophobicContact CD2-CZ2 3.7Å; F93-W154 AromaticContact CE2-CZ2 3.7Å; F93-W154 HydrophobicContact CE2-CZ2 3.7Å; F93-W154 AromaticContact CE2-NE1 3.74Å; T152-W154 HydrophobicContact CG2-CH2 3.94Å; T152-W154 HydrophobicContact CG2-CZ2 3.71Å; T152-W154 PolarHBondContact O-N 3.04Å
155	L	98	Very high	98.5	Very high	21 Å²	21	31.1 Å²	31.1	11%	0.11	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-93.2	-8.8	174.2	-57.1	-174.5	0	0	0	113.2	F93 F146 T152 S153 G157 K158 H159	F93-L155 HydrophobicContact CE2-CD1 3.91Å; F93-L155 HydrophobicContact CZ-CD1 4.17Å; F146-L155 HydrophobicContact CE1-CD1 4.5Å; F146-L155 HydrophobicContact CE2-CD1 3.75Å; F146-L155 HydrophobicContact CZ-CD1 3.58Å; T152-L155 WeakPolarHBondContact O-CB 3.27Å; T152-L155 PolarHBondContact O-N 2.94Å; S153-L155 PolarHBondContact O-N 3.47Å; L155-G157 PolarHBondContact O-N 3.2Å; L155-K158 PolarHBondContact O-N 3.18Å; L155-K158 VanDerWaalsContact O-N 3.11Å; L155-H159 PolarHBondContact O-N 3.28Å
156	D	98	Very high	98.4	Very high	42 Å²	42	33.2 Å²	33.2	23%	0.225	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	135.3	179.3	-67.5	-15.1	0	0	0	110.7	R124 H125 S153 K158	R124-D156 WeakPolarHBondContact CA-OD1 3.49Å; R124-D156 WeakPolarHBondContact CB-OD1 3.31Å; R124-D156 WeakPolarHBondContact CB-OD2 3.49Å; R124-D156 WeakPolarHBondContact CD-OD2 3.43Å; R124-D156 HydrophobicContact CG-CB 4.27Å; H125-D156 IonicContact CE1-OD1 3.7Å; H125-D156 IonicContact CG-OD1 3.27Å; H125-D156 PolarHBondContact N-OD1 3.44Å; H125-D156 IonicContact ND1-OD1 3.44Å; H125-D156 PolarHBondContact ND1-OD1 2.91Å; S153-D156 WeakPolarHBondContact O-CB 3.48Å; S153-D156 PolarHBondContact O-N 2.68Å; D156-K158 PolarHBondContact O-N 3.16Å
157	G	98	Very high	98.4	Very high	43 Å²	43	37.5 Å²	37.5	44%	0.443	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	3.8	-176.6	0	0	0	0	0	115.1	F121 L155	F121-G157 WeakPolarHBondContact CE2-O 3.44Å; F121-G157 WeakPolarHBondContact CZ-O 3.26Å; L155-G157 PolarHBondContact O-N 3.2Å
158	K	98.4	Very high	98.4	Very high	128 Å²	128	38 Å²	38	56%	0.557	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-29.5	-179.7	-60	176.2	-175.7	169.1	0	113.6	N135 L155 D156	N135-K158 PolarHBondContact ND2-O 2.64Å; L155-K158 PolarHBondContact O-N 3.18Å; L155-K158 VanDerWaalsContact O-N 3.11Å; D156-K158 PolarHBondContact O-N 3.16Å
159	H	98.7	Very high	98.4	Very high	30 Å²	30	38.1 Å²	38.1	14%	0.139	20%	0.197	C	C	.	.	S	Bend	trans	-124.7	130.9	178.7	-63.6	-89	0	0	0	109.6	S132 M133 N135 F146 L155 V161	S132-H159 WeakPolarHBondContact OG-CB 3.42Å; M133-H159 PolarHBondContact O-ND1 3.37Å; N135-H159 PolarHBondContact OD1-CE1 3.23Å; N135-H159 VanDerWaalsContact OD1-CE1 3.24Å; F146-H159 HydrophobicContact CE1-CB 4.08Å; F146-H159 AromaticContact CE1-CG 3.99Å; F146-H159 AromaticContact CE1-ND1 3.88Å; F146-H159 HydrophobicContact CZ-CB 4.02Å; L155-H159 PolarHBondContact O-N 3.28Å; H159-V161 PolarHBondContact O-N 2.99Å
160	V	98.8	Very high	98.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.			trans	-71.9	117.5	-179.2	-179.9	0	0	0	0	108.8	V57 T60 D118 F121 S132 M133 F162	V57-V160 HydrophobicContact CG1-CG1 3.88Å; T60-V160 HydrophobicContact CG2-CG1 4.15Å; D118-V160 HydrophobicContact CB-CG2 3.97Å; F121-V160 HydrophobicContact CD1-CG2 4.49Å; F121-V160 HydrophobicContact CE1-CG2 4.04Å; S132-V160 VanDerWaalsContact CA-O 3.24Å; S132-V160 WeakPolarHBondContact CA-O 3.33Å; S132-V160 WeakPolarHBondContact CB-O 3.13Å; S132-V160 VanDerWaalsContact OG-C 3.25Å; S132-V160 PolarHBondContact OG-O 3.02Å; M133-V160 HydrophobicContact CG-CB 4.39Å; M133-V160 PolarHBondContact N-O 3.47Å; V160-F162 WeakPolarHBondContact O-CD1 3.34Å
161	V	98.8	Very high	98.4	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.1	173.5	173.9	0	0	0	0	108.7	L123 H125 W130 H159	L123-V161 HydrophobicContact CB-CB 3.73Å; L123-V161 HydrophobicContact CB-CG1 3.77Å; L123-V161 HydrophobicContact CD1-CG1 4.39Å; H125-V161 WeakPolarHBondContact CE1-CG2 3.44Å; H125-V161 WeakPolarHBondContact NE2-CG2 3.41Å; W130-V161 HydrophobicContact CD2-CG1 4.49Å; W130-V161 HydrophobicContact CE3-CG1 3.46Å; W130-V161 VanDerWaalsContact CE3-CG1 3.46Å; W130-V161 HydrophobicContact CZ3-CG1 3.97Å; H159-V161 PolarHBondContact O-N 2.99Å
162	F	98.8	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	-0.3	-169.5	69.7	-91.8	0	0	0	115.6	L52 F53 V57 T60 V61 F64 L131 M133 F145 V160	L52-F162 HydrophobicContact CD2-CD2 4.19Å; L52-F162 HydrophobicContact CD2-CE2 4.22Å; F53-F162 WeakPolarHBondContact CD2-O 3.34Å; F53-F162 PolarHBondContact N-O 3.41Å; V57-F162 HydrophobicContact CG2-CB 3.52Å; T60-F162 HydrophobicContact CG2-CB 3.72Å; T60-F162 HydrophobicContact CG2-CD1 3.7Å; T60-F162 HydrophobicContact CG2-CD2 4.26Å; T60-F162 HydrophobicContact CG2-CE1 4.35Å; T60-F162 HydrophobicContact CG2-CG 3.64Å; V61-F162 HydrophobicContact CG2-CB 4.49Å; F64-F162 HydrophobicContact CB-CD2 4.38Å; F64-F162 HydrophobicContact CB-CE2 3.64Å; F64-F162 HydrophobicContact CB-CZ 4.28Å; F64-F162 AromaticContact CD1-CE2 3.82Å; F64-F162 HydrophobicContact CD1-CE2 3.82Å; F64-F162 HydrophobicContact CD1-CZ 4.5Å; F64-F162 AromaticContact CD2-CE2 3.51Å; F64-F162 HydrophobicContact CD2-CE2 3.51Å; F64-F162 AromaticContact CD2-CZ 3.44Å; F64-F162 HydrophobicContact CD2-CZ 3.44Å; F64-F162 VanDerWaalsContact CD2-CZ 3.44Å; F64-F162 HydrophobicContact CE1-CE2 4.28Å; F64-F162 HydrophobicContact CE2-CE2 4.04Å; F64-F162 AromaticContact CE2-CZ 3.76Å; F64-F162 HydrophobicContact CE2-CZ 3.76Å; F64-F162 HydrophobicContact CG-CD2 4.47Å; F64-F162 AromaticContact CG-CE2 3.39Å; F64-F162 HydrophobicContact CG-CE2 3.39Å; F64-F162 AromaticContact CG-CZ 3.86Å; F64-F162 HydrophobicContact CG-CZ 3.86Å; F64-F162 HydrophobicContact CZ-CE2 4.39Å; F64-F162 HydrophobicContact CZ-CZ 4.39Å; L131-F162 HydrophobicContact CD1-CZ 4.08Å; L131-F162 HydrophobicContact CD2-CD2 3.92Å; L131-F162 HydrophobicContact CD2-CE1 4.36Å; L131-F162 HydrophobicContact CD2-CE2 3.19Å; L131-F162 HydrophobicContact CD2-CZ 3.46Å; L131-F162 VanDerWaalsContact CD2-CZ 3.46Å; L131-F162 HydrophobicContact CG-CD2 4.34Å; L131-F162 HydrophobicContact CG-CE1 3.94Å; L131-F162 HydrophobicContact CG-CE2 3.69Å; L131-F162 HydrophobicContact CG-CZ 3.46Å; L131-F162 VanDerWaalsContact CG-CZ 3.46Å; L131-F162 PolarHBondContact O-N 2.98Å; M133-F162 HydrophobicContact CB-CE1 4.38Å; M133-F162 HydrophobicContact CG-CD1 3.8Å; M133-F162 HydrophobicContact CG-CE1 3.62Å; M133-F162 HydrophobicContact SD-CD1 4.06Å; M133-F162 HydrophobicContact SD-CE1 3.38Å; M133-F162 WeakPolarHBondContact SD-CE1 3.37Å; M133-F162 HydrophobicContact SD-CZ 3.83Å; F145-F162 HydrophobicContact CB-CZ 4.34Å; V160-F162 WeakPolarHBondContact O-CD1 3.34Å
163	G	98.8	Very high	98.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	-177	173.7	0	0	0	0	0	113.7	G51 F53 L131	G51-G163 CarbonylContact O-C 3.58Å; G51-G163 WeakPolarHBondContact O-CA 3.38Å; F53-G163 WeakPolarHBondContact CE2-O 3.09Å; F53-G163 VanDerWaalsContact CZ-C 3.46Å; L131-G163 PolarHBondContact N-O 2.81Å; L131-G163 PolarHBondContact O-N 3.42Å
164	K	98.7	Very high	98.5	Very high	9 Å²	9	39 Å²	39	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	140.6	173.5	-169.6	-173.2	-177.1	-170.9	0	110.2	I50 G51 F53 G129 W130 V166 V206 T207 S209	I50-K164 CarbonylContact C-O 3.6Å; G51-K164 PolarHBondContact N-O 2.74Å; G51-K164 PolarHBondContact O-N 2.96Å; F53-K164 HydrophobicContact CZ-CB 3.76Å; G129-K164 CarbonylContact O-C 3.49Å; G129-K164 VanDerWaalsContact O-CA 3.27Å; G129-K164 WeakPolarHBondContact O-CA 3.41Å; G129-K164 WeakPolarHBondContact O-CG 3.25Å; W130-K164 HydrophobicContact CD2-CD 4.49Å; W130-K164 HydrophobicContact CD2-CG 4.41Å; W130-K164 HydrophobicContact CG-CG 4.48Å; W130-K164 HydrophobicContact CZ2-CD 4.28Å; K164-V166 PolarHBondContact O-N 3.26Å; K164-V206 HydrophobicContact CD-CB 4.27Å; K164-V206 HydrophobicContact CD-CG2 4.04Å; K164-T207 PolarHBondContact NZ-O 2.75Å; K164-S209 WeakPolarHBondContact CE-O 3.28Å; K164-S209 PolarHBondContact NZ-O 3.05Å
165	V	98.7	Very high	98.5	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	126.6	168.4	178.7	0	0	0	0	108.7	I48 I50 G129 I147 E167 M169 V172 A211	I48-V165 HydrophobicContact CG2-CG1 4.08Å; I48-V165 HydrophobicContact CG2-CG2 4.09Å; I50-V165 HydrophobicContact CG1-CG2 4.5Å; G129-V165 PolarHBondContact O-N 2.99Å; I147-V165 HydrophobicContact CD1-CG2 4.19Å; I147-V165 HydrophobicContact CG2-CG2 3.74Å; V165-E167 WeakPolarHBondContact CG1-O 3.26Å; V165-M169 HydrophobicContact CB-SD 4.19Å; V165-M169 HydrophobicContact CG1-CB 4.17Å; V165-M169 HydrophobicContact CG1-SD 4.17Å; V165-M169 HydrophobicContact CG2-SD 4.3Å; V165-V172 HydrophobicContact CG2-CG2 4.27Å; V165-A211 HydrophobicContact CB-CB 4.28Å
166	V	98.1	Very high	98.6	Very high	44 Å²	44	32.1 Å²	32.1	27%	0.267	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-23.1	177.8	-63.5	0	0	0	0	112.5	K33 I49 K164 V206	K33-V166 HydrophobicContact CD-CG2 4.08Å; I49-V166 HydrophobicContact CB-CG2 4.07Å; I49-V166 HydrophobicContact CG2-CG2 3.67Å; I49-V166 WeakPolarHBondContact O-CG2 3.46Å; I49-V166 PolarHBondContact O-N 2.92Å; K164-V166 PolarHBondContact O-N 3.26Å; V166-V206 HydrophobicContact CG1-CG1 4.16Å
167	E	98.4	Very high	98.6	Very high	97 Å²	97	33.9 Å²	33.9	45%	0.453	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	148.8	172	-56.1	170.9	-131.9	0	0	109	I49 V165	I49-E167 HydrophobicContact CB-CB 4Å; I49-E167 HydrophobicContact CB-CG 4.47Å; I49-E167 HydrophobicContact CD1-CB 4.38Å; I49-E167 HydrophobicContact CG1-CB 4.22Å; I49-E167 PolarHBondContact N-O 3.2Å; I49-E167 PolarHBondContact O-N 2.81Å; V165-E167 WeakPolarHBondContact CG1-O 3.26Å
168	G	98.6	Very high	98.6	Very high	11 Å²	11	33.6 Å²	33.6	11%	0.113	17%	0.169	C	C	.	.			trans	82.2	32	175.8	0	0	0	0	0	114.4	R47 N170 I171 V172	R47-G168 WeakPolarHBondContact O-CA 3.44Å; G168-N170 WeakPolarHBondContact CA-OD1 3.28Å; G168-N170 PolarHBondContact O-N 3.11Å; G168-I171 WeakPolarHBondContact O-CB 3.45Å; G168-I171 PolarHBondContact O-N 3.24Å; G168-V172 PolarHBondContact O-N 3.08Å
169	M	98.6	Very high	98.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-20.2	173.6	-168.8	65.6	-165.3	0	0	111.3	A128 V165 I171 V172 R173 A211 E213	A128-M169 HydrophobicContact CB-CE 3.95Å; V165-M169 HydrophobicContact CB-SD 4.19Å; V165-M169 HydrophobicContact CG1-CB 4.17Å; V165-M169 HydrophobicContact CG1-SD 4.17Å; V165-M169 HydrophobicContact CG2-SD 4.3Å; M169-I171 VanDerWaalsContact C-N 3.31Å; M169-I171 PolarHBondContact O-N 3.44Å; M169-V172 HydrophobicContact CE-CB 4.22Å; M169-V172 HydrophobicContact CE-CG1 3.76Å; M169-V172 CarbonylContact O-C 3.56Å; M169-V172 WeakPolarHBondContact O-CA 3.23Å; M169-V172 VanDerWaalsContact O-CB 3.29Å; M169-V172 WeakPolarHBondContact O-CB 3.22Å; M169-V172 PolarHBondContact O-N 2.89Å; M169-V172 VanDerWaalsContact O-N 3.11Å; M169-V172 HydrophobicContact SD-CB 3.98Å; M169-V172 HydrophobicContact SD-CG1 4.08Å; M169-V172 HydrophobicContact SD-CG2 4.26Å; M169-R173 WeakPolarHBondContact O-CG 3.41Å; M169-R173 PolarHBondContact O-N 2.68Å; M169-A211 HydrophobicContact CB-CB 4.37Å; M169-A211 HydrophobicContact CG-CB 4.08Å; M169-A211 HydrophobicContact SD-CB 3.92Å; M169-E213 VanDerWaalsContact CB-OE1 3.32Å; M169-E213 WeakPolarHBondContact CB-OE1 3.47Å; M169-E213 PolarHBondContact N-OE2 2.86Å
170	N	98.5	Very high	98.6	Very high	69 Å²	69	33.3 Å²	33.3	37%	0.369	18%	0.18	S	C	.	.	H	α-helix	trans	-76.2	-33	-176.4	47.9	-9.2	0	0	0	108.8	G168 V172 R173 Q174 E213	G168-N170 WeakPolarHBondContact CA-OD1 3.28Å; G168-N170 PolarHBondContact O-N 3.11Å; N170-V172 VanDerWaalsContact C-N 3.35Å; N170-R173 PolarHBondContact O-N 2.89Å; N170-Q174 WeakPolarHBondContact O-CB 3.48Å; N170-Q174 VanDerWaalsContact O-CG 3.24Å; N170-Q174 WeakPolarHBondContact O-CG 3.26Å; N170-Q174 PolarHBondContact O-N 3.29Å; N170-Q174 PolarHBondContact O-NE2 2.96Å; N170-Q174 VanDerWaalsContact O-NE2 3.14Å; N170-E213 WeakPolarHBondContact CA-OE1 3.49Å; N170-E213 VanDerWaalsContact CA-OE2 3.29Å; N170-E213 WeakPolarHBondContact CA-OE2 3.36Å; N170-E213 HydrophobicContact CB-CG 3.89Å; N170-E213 WeakPolarHBondContact CB-OE1 3.42Å; N170-E213 WeakPolarHBondContact CB-OE2 3.36Å; N170-E213 PolarHBondContact N-OE1 3.01Å; N170-E213 PolarHBondContact N-OE2 3.2Å; N170-E213 PolarHBondContact OD1-OE2 3.49Å; N170-E213 VanDerWaalsContact OD1-OE2 3.05Å
171	I	98.8	Very high	98.5	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.051	19%	0.193	C	C	.	.	H	α-helix	trans	-64.9	-44.8	170.9	-49.7	-47.8	0	0	0	108.6	I38 L45 I48 G168 M169 R173 Q174 I175	I38-I171 HydrophobicContact CB-CG2 3.96Å; I38-I171 HydrophobicContact CG1-CG2 3.82Å; I38-I171 HydrophobicContact CG2-CG2 4.43Å; L45-I171 HydrophobicContact CD2-CG2 3.77Å; L45-I171 HydrophobicContact CG-CD1 4.46Å; L45-I171 HydrophobicContact CG-CG2 4.06Å; I48-I171 HydrophobicContact CD1-CB 4.41Å; I48-I171 HydrophobicContact CD1-CG2 4.13Å; I48-I171 HydrophobicContact CG1-CB 3.84Å; I48-I171 HydrophobicContact CG1-CG2 3.89Å; G168-I171 WeakPolarHBondContact O-CB 3.45Å; G168-I171 PolarHBondContact O-N 3.24Å; M169-I171 VanDerWaalsContact C-N 3.31Å; M169-I171 PolarHBondContact O-N 3.44Å; I171-R173 VanDerWaalsContact C-N 3.35Å; I171-R173 PolarHBondContact O-N 2.79Å; I171-Q174 PolarHBondContact O-N 2.88Å; I171-I175 HydrophobicContact CG2-CD1 4.41Å; I171-I175 VanDerWaalsContact O-CG1 3.27Å; I171-I175 WeakPolarHBondContact O-CG1 2.98Å; I171-I175 PolarHBondContact O-N 2.84Å
172	V	98.8	Very high	98.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.1	-43.6	174	174.8	0	0	0	0	111.6	I48 I95 I147 T149 V165 G168 M169 N170 I175 E176	I48-V172 HydrophobicContact CD1-CG2 3.64Å; I48-V172 HydrophobicContact CG1-CG2 4.09Å; I48-V172 HydrophobicContact CG2-CG2 4.26Å; I95-V172 HydrophobicContact CD1-CB 4.28Å; I95-V172 HydrophobicContact CD1-CG1 3.78Å; I95-V172 HydrophobicContact CD1-CG2 4.22Å; I95-V172 HydrophobicContact CG1-CG1 4.21Å; I147-V172 HydrophobicContact CD1-CG2 4.28Å; I147-V172 HydrophobicContact CG2-CG1 4.04Å; I147-V172 HydrophobicContact CG2-CG2 4.35Å; T149-V172 HydrophobicContact CG2-CG1 4.14Å; V165-V172 HydrophobicContact CG2-CG2 4.27Å; G168-V172 PolarHBondContact O-N 3.08Å; M169-V172 HydrophobicContact CE-CB 4.22Å; M169-V172 HydrophobicContact CE-CG1 3.76Å; M169-V172 CarbonylContact O-C 3.56Å; M169-V172 WeakPolarHBondContact O-CA 3.23Å; M169-V172 VanDerWaalsContact O-CB 3.29Å; M169-V172 WeakPolarHBondContact O-CB 3.22Å; M169-V172 PolarHBondContact O-N 2.89Å; M169-V172 VanDerWaalsContact O-N 3.11Å; M169-V172 HydrophobicContact SD-CB 3.98Å; M169-V172 HydrophobicContact SD-CG1 4.08Å; M169-V172 HydrophobicContact SD-CG2 4.26Å; N170-V172 VanDerWaalsContact C-N 3.35Å; V172-I175 PolarHBondContact O-N 3.3Å; V172-E176 WeakPolarHBondContact O-CB 3.48Å; V172-E176 PolarHBondContact O-N 3.22Å
173	R	98.6	Very high	98.4	Very high	86 Å²	86	49.6 Å²	49.6	33%	0.325	26%	0.264	S	S	.	.	H	α-helix	trans	-65.8	-37.7	176.4	-65.9	-58.2	-176.3	-177.9	-2.9	113.1	A128 T149 M169 N170 I171 E176 S177	A128-R173 VanDerWaalsContact CB-NH2 3.3Å; T149-R173 PolarHBondContact O-NH1 2.94Å; T149-R173 PolarHBondContact O-NH2 2.93Å; M169-R173 WeakPolarHBondContact O-CG 3.41Å; M169-R173 PolarHBondContact O-N 2.68Å; N170-R173 PolarHBondContact O-N 2.89Å; I171-R173 VanDerWaalsContact C-N 3.35Å; I171-R173 PolarHBondContact O-N 2.79Å; R173-E176 VanDerWaalsContact CD-OE2 3.26Å; R173-E176 WeakPolarHBondContact CD-OE2 3.41Å; R173-E176 IonicContact CZ-OE2 2.76Å; R173-E176 IonicContact NE-OE2 3.83Å; R173-E176 IonicContact NH1-OE1 2.68Å; R173-E176 IonicContact NH1-OE2 3.04Å; R173-E176 PolarHBondContact NH1-OE2 3.5Å; R173-E176 WeakPolarHBondContact O-CB 3.38Å; R173-E176 PolarHBondContact O-N 3Å; R173-S177 WeakPolarHBondContact O-CB 3.38Å; R173-S177 PolarHBondContact O-N 2.8Å
174	Q	98.5	Very high	98.4	Very high	80 Å²	80	52 Å²	52	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-64.8	-44.7	174.6	-78.1	173.2	93.9	0	0	110.9	L45 N170 I171 E176 S177 E178	L45-Q174 HydrophobicContact CD1-CB 4.32Å; L45-Q174 HydrophobicContact CD2-CB 4.1Å; N170-Q174 WeakPolarHBondContact O-CB 3.48Å; N170-Q174 VanDerWaalsContact O-CG 3.24Å; N170-Q174 WeakPolarHBondContact O-CG 3.26Å; N170-Q174 PolarHBondContact O-N 3.29Å; N170-Q174 PolarHBondContact O-NE2 2.96Å; N170-Q174 VanDerWaalsContact O-NE2 3.14Å; I171-Q174 PolarHBondContact O-N 2.88Å; Q174-E176 PolarHBondContact O-N 2.89Å; Q174-S177 PolarHBondContact O-N 2.76Å; Q174-S177 VanDerWaalsContact O-N 3.11Å; Q174-S177 PolarHBondContact O-OG 2.68Å; Q174-E178 PolarHBondContact O-N 3.33Å
175	I	98.7	Very high	98.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.6	-48.6	172.5	-65	168.3	0	0	0	110.6	I38 L45 I48 F86 V89 I95 I171 V172 S177 E178 I190	I38-I175 HydrophobicContact CG1-CD1 4.27Å; I38-I175 HydrophobicContact CG2-CD1 3.99Å; I38-I175 HydrophobicContact CG2-CG1 4.34Å; L45-I175 HydrophobicContact CD2-CG1 4.09Å; I48-I175 HydrophobicContact CD1-CD1 4.18Å; F86-I175 HydrophobicContact CD2-CD1 4.38Å; F86-I175 HydrophobicContact CE2-CD1 4.23Å; V89-I175 HydrophobicContact CG2-CG2 3.96Å; I95-I175 HydrophobicContact CB-CG2 4.09Å; I95-I175 HydrophobicContact CD1-CB 4.22Å; I95-I175 HydrophobicContact CD1-CD1 3.92Å; I95-I175 HydrophobicContact CD1-CG2 3.9Å; I95-I175 HydrophobicContact CG2-CB 4.39Å; I95-I175 HydrophobicContact CG2-CG2 3.69Å; I171-I175 HydrophobicContact CG2-CD1 4.41Å; I171-I175 VanDerWaalsContact O-CG1 3.27Å; I171-I175 WeakPolarHBondContact O-CG1 2.98Å; I171-I175 PolarHBondContact O-N 2.84Å; V172-I175 PolarHBondContact O-N 3.3Å; I175-S177 PolarHBondContact O-N 3.04Å; I175-E178 WeakPolarHBondContact O-CB 3.46Å; I175-E178 PolarHBondContact O-N 3.27Å; I175-E178 VanDerWaalsContact O-N 3.14Å; I175-I190 HydrophobicContact CB-CD1 4.39Å; I175-I190 HydrophobicContact CD1-CG2 4.07Å; I175-I190 HydrophobicContact CG1-CG2 3.82Å; I175-I190 HydrophobicContact CG2-CD1 3.73Å; I175-I190 HydrophobicContact CG2-CG2 4.13Å
176	E	98.6	Very high	98.4	Very high	17 Å²	17	57.6 Å²	57.6	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-57.1	-30.5	177.4	179.7	-175.8	-153.9	0	0	112.9	K91 S92 I95 T149 V172 R173 Q174	K91-E176 HydrophobicContact CB-CG 4.45Å; K91-E176 HydrophobicContact CG-CG 4.3Å; S92-E176 WeakPolarHBondContact CA-OE1 3.47Å; S92-E176 PolarHBondContact N-OE1 3.39Å; I95-E176 HydrophobicContact CG2-CB 4.25Å; T149-E176 WeakPolarHBondContact CB-OE1 3.18Å; T149-E176 WeakPolarHBondContact CB-OE2 3.48Å; T149-E176 HydrophobicContact CG2-CB 4.11Å; T149-E176 VanDerWaalsContact CG2-CD 3.46Å; T149-E176 HydrophobicContact CG2-CG 4.01Å; T149-E176 PolarHBondContact OG1-OE1 2.82Å; V172-E176 WeakPolarHBondContact O-CB 3.48Å; V172-E176 PolarHBondContact O-N 3.22Å; R173-E176 VanDerWaalsContact CD-OE2 3.26Å; R173-E176 WeakPolarHBondContact CD-OE2 3.41Å; R173-E176 IonicContact CZ-OE2 2.76Å; R173-E176 IonicContact NE-OE2 3.83Å; R173-E176 IonicContact NH1-OE1 2.68Å; R173-E176 IonicContact NH1-OE2 3.04Å; R173-E176 PolarHBondContact NH1-OE2 3.5Å; R173-E176 WeakPolarHBondContact O-CB 3.38Å; R173-E176 PolarHBondContact O-N 3Å; Q174-E176 PolarHBondContact O-N 2.89Å
177	S	98.2	Very high	98.4	Very high	79 Å²	79	60.4 Å²	60.4	55%	0.552	32%	0.315	S	S	*	.	H	α-helix	trans	-84.8	-8.7	-178.2	76.4	0	0	0	0	114.7	R173 Q174 I175	R173-S177 WeakPolarHBondContact O-CB 3.38Å; R173-S177 PolarHBondContact O-N 2.8Å; Q174-S177 PolarHBondContact O-N 2.76Å; Q174-S177 VanDerWaalsContact O-N 3.11Å; Q174-S177 PolarHBondContact O-OG 2.68Å; I175-S177 PolarHBondContact O-N 3.04Å
178	E	98.2	Very high	98.4	Very high	38 Å²	38	59.8 Å²	59.8	18%	0.178	31%	0.311	C	S	.	.	S	Bend	trans	-64.4	148.1	178.2	-75.5	-66.9	164	0	0	111.5	Q174 I175 K188 I190	Q174-E178 PolarHBondContact O-N 3.33Å; I175-E178 WeakPolarHBondContact O-CB 3.46Å; I175-E178 PolarHBondContact O-N 3.27Å; I175-E178 VanDerWaalsContact O-N 3.14Å; E178-K188 IonicContact OE1-NZ 3.82Å; E178-K188 PolarHBondContact OE1-NZ 3.18Å; E178-K188 VanDerWaalsContact OE1-NZ 3.15Å; E178-K188 WeakPolarHBondContact OE2-CD 3.31Å; E178-K188 WeakPolarHBondContact OE2-CE 3.42Å; E178-K188 IonicContact OE2-NZ 3.96Å; E178-K188 PolarHBondContact OE2-NZ 2.77Å; E178-I190 HydrophobicContact CB-CD1 3.96Å; E178-I190 HydrophobicContact CG-CD1 3.81Å
179	T	98.2	Very high	98.4	Very high	100 Å²	100	61.9 Å²	61.9	61%	0.613	32%	0.324	S	S	*	.			trans	-70.9	135.9	178	-57.2	0	0	0	0	110.1	V187	T179-V187 HydrophobicContact CG2-CG2 4.15Å; T179-V187 PolarHBondContact O-N 2.87Å
180	T	98.5	Very high	98.4	Very high	51 Å²	51	61.9 Å²	61.9	31%	0.313	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-116	156.5	178.9	56.6	0	0	0	0	112.1	V89 R185 P186	V89-T180 HydrophobicContact CB-CG2 4.05Å; V89-T180 HydrophobicContact CG1-CG2 4.36Å; T180-R185 CarbonylContact C-O 3.55Å; T180-R185 WeakPolarHBondContact CA-O 3.19Å; T180-P186 HydrophobicContact CG2-CG 4.44Å
181	D	98.1	Very high	98.4	Very high	53 Å²	53	62.3 Å²	62.3	28%	0.283	32%	0.323	S	S	.	.			trans	-78.1	-179.3	169.4	80.2	0.2	0	0	0	111.5	R183 D184 R185	D181-R183 PolarHBondContact O-N 2.6Å; D181-R183 WeakPolarHBondContact OD1-CA 3.36Å; D181-R183 WeakPolarHBondContact OD1-CB 3.39Å; D181-R183 PolarHBondContact OD1-N 2.88Å; D181-R183 IonicContact OD2-CZ 3.39Å; D181-R183 IonicContact OD2-NE 3.48Å; D181-R183 PolarHBondContact OD2-NE 3.36Å; D181-R183 IonicContact OD2-NH2 3.92Å; D181-R183 PolarHBondContact OD2-NH2 3.06Å; D181-R183 VanDerWaalsContact OD2-NH2 3.16Å; D181-D184 PolarHBondContact O-N 2.95Å; D181-D184 VanDerWaalsContact O-N 3.09Å; D181-D184 PolarHBondContact OD1-N 3.19Å; D181-R185 PolarHBondContact N-O 2.89Å; D181-R185 WeakPolarHBondContact OD1-CB 3.43Å; D181-R185 PolarHBondContact OD1-N 3.24Å; D181-R185 VanDerWaalsContact OD1-N 3.08Å
182	S	97.6	Very high	98.4	Very high	124 Å²	124	61.8 Å²	61.8	87%	0.867	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-7.7	178.7	61	0	0	0	0	115.7
183	R	97.6	Very high	98.4	Very high	169 Å²	169	62.9 Å²	62.9	64%	0.638	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	18.8	178	-59.7	175.4	-64.6	176.5	-1.4	111.9	D181 R185	D181-R183 PolarHBondContact O-N 2.6Å; D181-R183 WeakPolarHBondContact OD1-CA 3.36Å; D181-R183 WeakPolarHBondContact OD1-CB 3.39Å; D181-R183 PolarHBondContact OD1-N 2.88Å; D181-R183 IonicContact OD2-CZ 3.39Å; D181-R183 IonicContact OD2-NE 3.48Å; D181-R183 PolarHBondContact OD2-NE 3.36Å; D181-R183 IonicContact OD2-NH2 3.92Å; D181-R183 PolarHBondContact OD2-NH2 3.06Å; D181-R183 VanDerWaalsContact OD2-NH2 3.16Å; R183-R185 PolarHBondContact O-N 2.77Å
184	D	98.5	Very high	98.4	Very high	50 Å²	50	60.7 Å²	60.7	27%	0.267	33%	0.327	S	S	.	.	S	Bend	trans	63.7	15.7	-176.5	-48.5	-49	0	0	0	113.9	R88 V89 I90 D181	R88-D184 CarbonylContact C-O 3.54Å; R88-D184 WeakPolarHBondContact CA-O 3.48Å; R88-D184 HydrophobicContact CG-CB 3.82Å; R88-D184 IonicContact CZ-OD2 3.68Å; R88-D184 IonicContact NE-OD2 3.55Å; R88-D184 PolarHBondContact NE-OD2 2.87Å; R88-D184 IonicContact NH2-OD2 2.87Å; R88-D184 PolarHBondContact NH2-OD2 3Å; V89-D184 PolarHBondContact N-O 3.43Å; I90-D184 HydrophobicContact CD1-CB 4.34Å; I90-D184 WeakPolarHBondContact CD1-OD2 3.4Å; I90-D184 HydrophobicContact CG1-CB 3.74Å; D181-D184 PolarHBondContact O-N 2.95Å; D181-D184 VanDerWaalsContact O-N 3.09Å; D181-D184 PolarHBondContact OD1-N 3.19Å
185	R	98.4	Very high	98.4	Very high	122 Å²	122	57.6 Å²	57.6	46%	0.46	31%	0.314	S	S	.	.			trans	-84.7	128.4	178.3	179.7	177.8	173	162.5	0.5	109.8	T180 D181 R183 V187	T180-R185 CarbonylContact C-O 3.55Å; T180-R185 WeakPolarHBondContact CA-O 3.19Å; D181-R185 PolarHBondContact N-O 2.89Å; D181-R185 WeakPolarHBondContact OD1-CB 3.43Å; D181-R185 PolarHBondContact OD1-N 3.24Å; D181-R185 VanDerWaalsContact OD1-N 3.08Å; R183-R185 PolarHBondContact O-N 2.77Å; R185-V187 PolarHBondContact O-N 2.97Å
186	P	98.5	Very high	98.4	Very high	8 Å²	8	58 Å²	58	5%	0.052	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-53.4	133.4	172.3	-29.6	38	0	0	0	112.5	V89 T180 K188 I190	V89-P186 HydrophobicContact CB-CG 3.92Å; V89-P186 HydrophobicContact CG2-CG 3.49Å; V89-P186 VanDerWaalsContact CG2-CG 3.49Å; T180-P186 HydrophobicContact CG2-CG 4.44Å; P186-K188 VanDerWaalsContact C-N 3.33Å; P186-K188 VanDerWaalsContact CB-O 3.25Å; P186-K188 WeakPolarHBondContact CB-O 3.43Å; P186-I190 HydrophobicContact CB-CD1 3.78Å; P186-I190 HydrophobicContact CB-CG1 4.05Å; P186-I190 HydrophobicContact CG-CD1 3.8Å; P186-I190 HydrophobicContact CG-CG1 4.38Å
187	V	98.4	Very high	98.4	Very high	104 Å²	104	60 Å²	60	63%	0.63	33%	0.327	S	S	*	.	S	Bend	trans	-65.9	-41.2	175.7	174.7	0	0	0	0	110.2	T179 R185	T179-V187 HydrophobicContact CG2-CG2 4.15Å; T179-V187 PolarHBondContact O-N 2.87Å; R185-V187 PolarHBondContact O-N 2.97Å
188	K	98.3	Very high	98.4	Very high	83 Å²	83	58.2 Å²	58.2	36%	0.361	31%	0.311	S	S	.	.	S	Bend	trans	-84	147.6	171.4	-58.2	-170.6	-162.2	131.9	0	110.4	V40 D41 E178 P186 I190	V40-K188 HydrophobicContact CG1-CB 3.75Å; V40-K188 HydrophobicContact CG1-CD 3.56Å; V40-K188 HydrophobicContact CG1-CG 4.35Å; D41-K188 WeakPolarHBondContact OD2-CB 3.28Å; D41-K188 VanDerWaalsContact OD2-CG 3.28Å; D41-K188 WeakPolarHBondContact OD2-CG 3.39Å; E178-K188 IonicContact OE1-NZ 3.82Å; E178-K188 PolarHBondContact OE1-NZ 3.18Å; E178-K188 VanDerWaalsContact OE1-NZ 3.15Å; E178-K188 WeakPolarHBondContact OE2-CD 3.31Å; E178-K188 WeakPolarHBondContact OE2-CE 3.42Å; E178-K188 IonicContact OE2-NZ 3.96Å; E178-K188 PolarHBondContact OE2-NZ 2.77Å; P186-K188 VanDerWaalsContact C-N 3.33Å; P186-K188 VanDerWaalsContact CB-O 3.25Å; P186-K188 WeakPolarHBondContact CB-O 3.43Å; K188-I190 PolarHBondContact O-N 3.3Å
189	S	98.2	Very high	98.4	Very high	56 Å²	56	60.9 Å²	60.9	39%	0.392	33%	0.332	S	S	.	.			trans	-75.6	114.2	175.5	-172.4	0	0	0	0	110.4	V40 D41	V40-S189 CarbonylContact C-O 3.58Å; V40-S189 WeakPolarHBondContact CA-O 3.49Å; D41-S189 PolarHBondContact N-O 3.11Å; D41-S189 PolarHBondContact OD1-N 2.86Å
190	I	98.8	Very high	98.4	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	109	176.5	-50.5	-179.8	0	0	0	108.2	I38 E39 V40 T85 F86 I175 E178 P186 K188	I38-I190 HydrophobicContact CG2-CG2 3.93Å; E39-I190 WeakPolarHBondContact O-CA 3.21Å; V40-I190 HydrophobicContact CG2-CG1 4.38Å; V40-I190 HydrophobicContact CG2-CG2 4.48Å; T85-I190 CarbonylContact C-O 3.54Å; T85-I190 WeakPolarHBondContact CA-O 3.32Å; T85-I190 WeakPolarHBondContact CB-O 3.38Å; F86-I190 HydrophobicContact CB-CB 4.29Å; F86-I190 HydrophobicContact CB-CG2 4.29Å; F86-I190 HydrophobicContact CD2-CG2 3.83Å; F86-I190 HydrophobicContact CG-CG2 4.42Å; F86-I190 PolarHBondContact N-O 2.98Å; I175-I190 HydrophobicContact CB-CD1 4.39Å; I175-I190 HydrophobicContact CD1-CG2 4.07Å; I175-I190 HydrophobicContact CG1-CG2 3.82Å; I175-I190 HydrophobicContact CG2-CD1 3.73Å; I175-I190 HydrophobicContact CG2-CG2 4.13Å; E178-I190 HydrophobicContact CB-CD1 3.96Å; E178-I190 HydrophobicContact CG-CD1 3.81Å; P186-I190 HydrophobicContact CB-CD1 3.78Å; P186-I190 HydrophobicContact CB-CG1 4.05Å; P186-I190 HydrophobicContact CG-CD1 3.8Å; P186-I190 HydrophobicContact CG-CG1 4.38Å; K188-I190 PolarHBondContact O-N 3.3Å
191	K	98.8	Very high	98.3	Very high	77 Å²	77	64 Å²	64	34%	0.335	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.5	-168.7	-175.5	-174.8	-69	176.5	0	111.7	I38 E39 S84 T85 A193	I38-K191 WeakPolarHBondContact CA-O 3.46Å; E39-K191 PolarHBondContact N-O 3.5Å; E39-K191 PolarHBondContact O-N 3.45Å; S84-K191 WeakPolarHBondContact O-CA 3.02Å; S84-K191 WeakPolarHBondContact O-CG 3.01Å; T85-K191 HydrophobicContact CG2-CB 4.45Å; K191-A193 PolarHBondContact O-N 2.97Å
192	I	98.9	Very high	98.2	Very high	0 Å²	0	68 Å²	68	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	92.6	162.7	-58.1	173.9	0	0	0	107.3	F36 D37 I38 G83 S84 F86 F145 S194 C195	F36-I192 HydrophobicContact CB-CG1 4.5Å; F36-I192 HydrophobicContact CB-CG2 4.06Å; F36-I192 HydrophobicContact CD1-CD1 4.24Å; F36-I192 HydrophobicContact CD1-CG2 3.79Å; F36-I192 HydrophobicContact CD2-CD1 4.01Å; F36-I192 HydrophobicContact CE1-CD1 4.33Å; F36-I192 HydrophobicContact CE2-CD1 4.08Å; F36-I192 HydrophobicContact CG-CD1 4.1Å; F36-I192 HydrophobicContact CG-CG1 4.36Å; F36-I192 HydrophobicContact CG-CG2 4.05Å; F36-I192 HydrophobicContact CZ-CD1 4.24Å; D37-I192 CarbonylContact O-C 3.53Å; I38-I192 HydrophobicContact CD1-CG1 4.06Å; G83-I192 PolarHBondContact N-O 3.35Å; S84-I192 PolarHBondContact O-N 2.97Å; F86-I192 HydrophobicContact CE2-CD1 4.17Å; F86-I192 HydrophobicContact CE2-CG1 3.77Å; F86-I192 HydrophobicContact CZ-CD1 4.33Å; F86-I192 HydrophobicContact CZ-CG1 4.37Å; F145-I192 HydrophobicContact CZ-CD1 4.12Å; I192-S194 WeakPolarHBondContact CG2-O 3.43Å; I192-C195 HydrophobicContact CG2-CB 3.8Å
193	A	98.7	Very high	98.2	Very high	23 Å²	23	64.2 Å²	64.2	19%	0.19	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-35.7	-175.7	0	0	0	0	0	112.5	D37 E39 K82 K191	D37-A193 PolarHBondContact O-N 3.18Å; E39-A193 HydrophobicContact CB-CB 4.28Å; E39-A193 HydrophobicContact CG-CB 3.62Å; E39-A193 WeakPolarHBondContact OE1-CB 3.33Å; K82-A193 WeakPolarHBondContact CE-O 3.2Å; K82-A193 WeakPolarHBondContact CG-O 3.31Å; K191-A193 PolarHBondContact O-N 2.97Å
194	S	98.7	Very high	98.1	Very high	39 Å²	39	60.1 Å²	60.1	27%	0.273	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	150.6	173.8	-167.6	0	0	0	0	110	D37 I192	D37-S194 PolarHBondContact N-O 3.23Å; I192-S194 WeakPolarHBondContact CG2-O 3.43Å
195	C	98.8	Very high	98	Very high	15 Å²	15	59 Å²	59	10%	0.101	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	161.5	177	58.2	0	0	0	0	110.6	F35 F36 S68 K82 I192	F35-C195 WeakPolarHBondContact O-CA 3.35Å; F35-C195 WeakPolarHBondContact O-CB 3.27Å; F36-C195 HydrophobicContact CD1-CB 3.49Å; F36-C195 VanDerWaalsContact CD1-CB 3.49Å; F36-C195 HydrophobicContact CE1-CB 3.82Å; S68-C195 CarbonylContact O-C 3.56Å; S68-C195 PolarHBondContact O-SG 2.63Å; K82-C195 PolarHBondContact N-SG 2.85Å; I192-C195 HydrophobicContact CG2-CB 3.8Å
196	G	98.7	Very high	97.9	Very high	8 Å²	8	54 Å²	54	8%	0.082	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	174.6	178	0	0	0	0	0	113.3	V34 F35 S68	V34-G196 CarbonylContact C-O 3.21Å; V34-G196 WeakPolarHBondContact CA-O 3.46Å; V34-G196 WeakPolarHBondContact CB-O 3.5Å; F35-G196 WeakPolarHBondContact CD1-O 3.1Å; F35-G196 VanDerWaalsContact CE1-CA 3.42Å; F35-G196 PolarHBondContact N-O 3.15Å; F35-G196 PolarHBondContact O-N 3.3Å; S68-G196 VanDerWaalsContact O-CA 3.31Å; S68-G196 WeakPolarHBondContact O-CA 3.38Å; S68-G196 PolarHBondContact O-N 3.23Å
197	H	98.7	Very high	97.7	Very high	60 Å²	60	56.7 Å²	56.7	28%	0.278	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	144.2	175.6	171.7	-117.1	0	0	0	111.5	D32 K33 K65 I69	D32-H197 IonicContact OD1-CD2 2.81Å; D32-H197 IonicContact OD1-CE1 3.2Å; D32-H197 IonicContact OD1-NE2 3.78Å; D32-H197 PolarHBondContact OD1-NE2 2.89Å; K33-H197 PolarHBondContact O-CD2 3.39Å; K33-H197 VanDerWaalsContact O-CD2 3.26Å; K65-H197 VanDerWaalsContact CD-CD2 3.48Å; K65-H197 WeakPolarHBondContact CD-CD2 3.43Å; K65-H197 HydrophobicContact CG-CB 4.18Å; I69-H197 HydrophobicContact CD1-CB 3.8Å; I69-H197 HydrophobicContact CG1-CB 3.66Å
198	I	98.5	Very high	97.4	Very high	42 Å²	42	56.1 Å²	56.1	22%	0.215	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	113.7	171.8	-62.4	167.1	0	0	0	106.8	K33 F35 I49	K33-I198 HydrophobicContact CB-CB 3.84Å; K33-I198 HydrophobicContact CB-CG2 4.26Å; K33-I198 PolarHBondContact N-O 3.46Å; K33-I198 PolarHBondContact O-N 3.39Å; F35-I198 HydrophobicContact CB-CD1 3.94Å; F35-I198 HydrophobicContact CD1-CD1 3.91Å; F35-I198 HydrophobicContact CD1-CG1 3.94Å; F35-I198 HydrophobicContact CG-CD1 4.36Å; I49-I198 HydrophobicContact CD1-CD1 4.24Å; I49-I198 HydrophobicContact CG2-CD1 4.32Å
199	P	97.2	Very high	97.2	Very high	94 Å²	94	55.4 Å²	55.4	61%	0.61	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	147.3	176.2	-24.9	34.2	0	0	0	112.7
200	V	98.2	Very high	97.1	Very high	26 Å²	26	56.6 Å²	56.6	16%	0.158	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	108.3	171	176.7	0	0	0	0	107.7	V30 T31 K33 I202 F204	V30-V200 HydrophobicContact CG1-CG2 4.33Å; T31-V200 WeakPolarHBondContact O-CB 3.35Å; K33-V200 HydrophobicContact CB-CG2 4.27Å; K33-V200 HydrophobicContact CD-CG2 4.28Å; K33-V200 HydrophobicContact CG-CG2 3.76Å; V200-I202 WeakPolarHBondContact CG1-O 3.26Å; V200-F204 HydrophobicContact CG1-CD1 4.02Å; V200-F204 HydrophobicContact CG1-CE1 4.03Å; V200-F204 HydrophobicContact CG2-CE1 4.47Å
201	E	95.9	Very high	96.9	Very high	190 Å²	190	57.2 Å²	57.2	89%	0.888	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	-42.1	-176.6	-64.2	-178.4	175.3	0	0	112.3
202	I	96.6	Very high	96.5	Very high	137 Å²	137	58.8 Å²	58.8	70%	0.703	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	112.8	179.9	-58.9	174	0	0	0	108.4	V200 F204	V200-I202 WeakPolarHBondContact CG1-O 3.26Å; I202-F204 PolarHBondContact O-N 2.79Å
203	P	97.1	Very high	95.6	Very high	45 Å²	45	65.7 Å²	65.7	29%	0.292	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	132.8	177.2	-27.4	35.3	0	0	0	112.4	K29 V30 T31	K29-P203 HydrophobicContact CB-CB 4.4Å; V30-P203 WeakPolarHBondContact O-CA 2.86Å; V30-P203 WeakPolarHBondContact O-CB 3.29Å; T31-P203 HydrophobicContact CG2-CB 4.49Å; T31-P203 HydrophobicContact CG2-CG 4.48Å
204	F	96.8	Very high	95.5	Very high	82 Å²	82	67.8 Å²	67.8	36%	0.36	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.2	-179.5	64	-87.7	0	0	0	110.8	K29 V30 V200 I202 V206	K29-F204 CarbonylContact C-O 3.48Å; K29-F204 WeakPolarHBondContact CA-O 3.41Å; V30-F204 HydrophobicContact CB-CD1 4.33Å; V30-F204 HydrophobicContact CB-CD2 4.4Å; V30-F204 HydrophobicContact CB-CE1 3.89Å; V30-F204 HydrophobicContact CB-CE2 3.98Å; V30-F204 HydrophobicContact CB-CZ 3.7Å; V30-F204 HydrophobicContact CG1-CE1 3.78Å; V30-F204 HydrophobicContact CG1-CE2 4.44Å; V30-F204 HydrophobicContact CG1-CZ 3.69Å; V30-F204 HydrophobicContact CG2-CE2 3.94Å; V30-F204 HydrophobicContact CG2-CZ 4.01Å; V30-F204 PolarHBondContact N-O 2.77Å; V30-F204 PolarHBondContact O-N 2.96Å; V200-F204 HydrophobicContact CG1-CD1 4.02Å; V200-F204 HydrophobicContact CG1-CE1 4.03Å; V200-F204 HydrophobicContact CG2-CE1 4.47Å; I202-F204 PolarHBondContact O-N 2.79Å; F204-V206 HydrophobicContact CD2-CG1 4.49Å; F204-V206 HydrophobicContact CE2-CG1 4.02Å
205	S	96.4	Very high	95.3	Very high	28 Å²	28	69.3 Å²	69.3	20%	0.196	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	143.8	178.3	-56.7	0	0	0	0	111.7	A25 P28	A25-S205 WeakPolarHBondContact O-CB 3.46Å; A25-S205 PolarHBondContact O-OG 3.26Å; P28-S205 WeakPolarHBondContact O-CA 3.27Å
206	V	95.5	Very high	95.1	Very high	15 Å²	15	72.3 Å²	72.3	9%	0.091	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-99.8	155.7	167	-65.6	0	0	0	0	110.5	G27 P28 V30 F53 K164 V166 F204	G27-V206 WeakPolarHBondContact CA-O 3.49Å; G27-V206 PolarHBondContact N-O 3.22Å; P28-V206 HydrophobicContact CG-CG2 4.1Å; P28-V206 PolarHBondContact O-N 3.34Å; V30-V206 HydrophobicContact CG2-CG1 3.72Å; F53-V206 HydrophobicContact CE1-CG2 3.77Å; F53-V206 HydrophobicContact CZ-CG2 3.98Å; K164-V206 HydrophobicContact CD-CB 4.27Å; K164-V206 HydrophobicContact CD-CG2 4.04Å; V166-V206 HydrophobicContact CG1-CG1 4.16Å; F204-V206 HydrophobicContact CD2-CG1 4.49Å; F204-V206 HydrophobicContact CE2-CG1 4.02Å
207	T	94.2	Very high	94.9	Very high	66 Å²	66	76.1 Å²	76.1	41%	0.405	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-79.1	162.3	174.7	58.1	0	0	0	0	111.6	A25 K164 S209	A25-T207 HydrophobicContact CB-CG2 3.65Å; K164-T207 PolarHBondContact NZ-O 2.75Å; T207-S209 PolarHBondContact O-N 2.82Å; T207-S209 PolarHBondContact OG1-OG 2.8Å
208	N	93.1	Very high	94.7	Very high	91 Å²	91	77.1 Å²	77.1	49%	0.487	42%	0.423	S	S	.	.	S	Bend	trans	-79.8	1	171.6	-70.5	-16.3	0	0	0	114.3	V126	V126-N208 HydrophobicContact CG2-CB 4.08Å; V126-N208 WeakPolarHBondContact CG2-O 3.39Å
209	S	93.2	Very high	94.4	Very high	68 Å²	68	79.5 Å²	79.5	48%	0.476	44%	0.437	S	S	.	.	S	Bend	trans	-69.9	169	174.3	62.8	0	0	0	0	111.3	K164 T207	K164-S209 WeakPolarHBondContact CE-O 3.28Å; K164-S209 PolarHBondContact NZ-O 3.05Å; T207-S209 PolarHBondContact O-N 2.82Å; T207-S209 PolarHBondContact OG1-OG 2.8Å
210	D	96.5	Very high	94.2	Very high	82 Å²	82	78.4 Å²	78.4	44%	0.439	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-55.6	148.4	168.9	-69.2	-15.7	0	0	0	111.1	G127 A128	G127-D210 WeakPolarHBondContact CA-OD1 3.43Å; A128-D210 HydrophobicContact CB-CB 4.08Å; A128-D210 PolarHBondContact N-OD1 3.09Å
211	A	94.6	Very high	93.9	Very high	13 Å²	13	82.5 Å²	82.5	11%	0.107	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-66.4	135.8	160.6	0	0	0	0	0	108.9	A128 V165 M169	A128-A211 PolarHBondContact O-N 2.88Å; V165-A211 HydrophobicContact CB-CB 4.28Å; M169-A211 HydrophobicContact CB-CB 4.37Å; M169-A211 HydrophobicContact CG-CB 4.08Å; M169-A211 HydrophobicContact SD-CB 3.92Å
212	V	89.7	Confident	93.8	Very high	110 Å²	110	73.5 Å²	73.5	67%	0.667	41%	0.408	S	S	*	.			trans	-117.1	169.8	177.7	-61.7	0	0	0	0	109.1
213	E	81.7	Confident	93.5	Very high	145 Å²	145	67.7 Å²	67.7	68%	0.678	38%	0.381	S	S	*	.			trans	-69.4	0	166.6	-54.5	-40.9	141.2	0	0	113.2	M169 N170	M169-E213 VanDerWaalsContact CB-OE1 3.32Å; M169-E213 WeakPolarHBondContact CB-OE1 3.47Å; M169-E213 PolarHBondContact N-OE2 2.86Å; N170-E213 WeakPolarHBondContact CA-OE1 3.49Å; N170-E213 VanDerWaalsContact CA-OE2 3.29Å; N170-E213 WeakPolarHBondContact CA-OE2 3.36Å; N170-E213 HydrophobicContact CB-CG 3.89Å; N170-E213 WeakPolarHBondContact CB-OE1 3.42Å; N170-E213 WeakPolarHBondContact CB-OE2 3.36Å; N170-E213 PolarHBondContact N-OE1 3.01Å; N170-E213 PolarHBondContact N-OE2 3.2Å; N170-E213 PolarHBondContact OD1-OE2 3.49Å; N170-E213 VanDerWaalsContact OD1-OE2 3.05Å

Retrieved 213 of 213 residues in 68.8 ms (Link to these results)

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