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Peptidyl-prolyl cis-trans isomerase B

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

AlphaFold DB , UniProt , Accession Q26551, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene CYP, 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	45.2	Very low	55.5	Low	248 Å²	248	149.8 Å²	149.8	100%	1.222	84%	0.84	S	S	*	*				0	83.5	0	-68.4	170.4	93.6	0	0	107.8
2	A	48.1	Very low	55.8	Low	93 Å²	93	149.8 Å²	149.8	77%	0.769	84%	0.835	S	S	*	*			trans	-167.9	146.2	-179.5	0	0	0	0	0	111.2
3	V	53.9	Low	56	Low	122 Å²	122	149.2 Å²	149.2	74%	0.739	83%	0.828	S	S	*	*			trans	81.8	84.6	156.2	-153.7	0	0	0	0	118.1	K5	V3-K5 HydrophobicContact CG1-CG 4.21Å
4	L	48.1	Very low	56.2	Low	178 Å²	178	145.3 Å²	145.3	93%	0.932	82%	0.816	S	S	*	*			trans	-71.5	116	151.2	-160	78.7	0	0	0	108.1
5	K	63.6	Low	56.6	Low	182 Å²	182	145 Å²	145	79%	0.791	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-88.4	137.6	172.2	-77.6	-177.2	175.4	179.3	0	109.9	V3	V3-K5 HydrophobicContact CG1-CG 4.21Å
6	P	60.3	Low	57	Low	127 Å²	127	143.8 Å²	143.8	83%	0.825	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-78.5	144	179.3	31.9	-31.2	0	0	0	111.4
7	L	56.9	Low	57.1	Low	174 Å²	174	141.9 Å²	141.9	91%	0.911	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67	130	178.7	-135.6	77.7	0	0	0	110.6
8	C	60.1	Low	57.2	Low	106 Å²	106	144.6 Å²	144.6	72%	0.716	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-79	125.2	172.8	-166.7	0	0	0	0	109.5	L10	C8-L10 PolarHBondContact O-N 3.02Å
9	P	56.8	Low	57.1	Low	118 Å²	118	140 Å²	140	77%	0.766	79%	0.789	S	S	*	*			trans	-83.4	101	171.1	31.7	-26	0	0	0	108.2	L11	P9-L11 PolarHBondContact O-N 3.25Å
10	L	59.6	Low	57	Low	148 Å²	148	141.8 Å²	141.8	78%	0.775	80%	0.795	S	S	*	*			trans	-69.6	97.8	168	-149.7	85.1	0	0	0	107.6	C8 L12	C8-L10 PolarHBondContact O-N 3.02Å; L10-L12 HydrophobicContact CD2-CD1 4.28Å; L10-L12 PolarHBondContact O-N 3.02Å
11	L	57.6	Low	56.9	Low	152 Å²	152	142.9 Å²	142.9	80%	0.796	80%	0.797	S	S	*	*			trans	-68.2	95.2	175	-166.4	78.7	0	0	0	108.5	P9 L13	P9-L11 PolarHBondContact O-N 3.25Å; L11-L13 HydrophobicContact CD2-CD1 4.31Å; L11-L13 PolarHBondContact O-N 3.12Å; L11-L13 VanDerWaalsContact O-N 3.15Å
12	L	59.1	Low	57.4	Low	149 Å²	149	142.2 Å²	142.2	78%	0.78	78%	0.781	S	S	*	*			trans	-70.9	102.3	170.7	-123.1	87.8	0	0	0	108.4	L10 S14	L10-L12 HydrophobicContact CD2-CD1 4.28Å; L10-L12 PolarHBondContact O-N 3.02Å; L12-S14 PolarHBondContact O-N 3.15Å; L12-S14 VanDerWaalsContact O-N 3.12Å
13	L	58.1	Low	57.6	Low	142 Å²	142	142.7 Å²	142.7	74%	0.743	78%	0.779	S	S	*	*			trans	-73.5	96.5	170.8	-138.2	88.2	0	0	0	108.1	L11 I15	L11-L13 HydrophobicContact CD2-CD1 4.31Å; L11-L13 PolarHBondContact O-N 3.12Å; L11-L13 VanDerWaalsContact O-N 3.15Å; L13-I15 PolarHBondContact O-N 2.95Å; L13-I15 VanDerWaalsContact O-N 3.12Å
14	S	58.9	Low	57.7	Low	95 Å²	95	143.8 Å²	143.8	66%	0.664	78%	0.776	S	S	*	*			trans	-72.1	102.4	171.9	66.1	0	0	0	0	109.2	L12 I16	L12-S14 PolarHBondContact O-N 3.15Å; L12-S14 VanDerWaalsContact O-N 3.12Å; S14-I16 PolarHBondContact O-N 3.05Å
15	I	63.1	Low	58.6	Low	141 Å²	141	136.5 Å²	136.5	72%	0.723	74%	0.741	S	S	*	*			trans	-69	96.2	168.1	-62.8	173.7	0	0	0	107	L13 C17	L13-I15 PolarHBondContact O-N 2.95Å; L13-I15 VanDerWaalsContact O-N 3.12Å; I15-C17 VanDerWaalsContact C-N 3.29Å; I15-C17 PolarHBondContact O-N 3.12Å
16	I	61.9	Low	59.5	Low	126 Å²	126	135 Å²	135	65%	0.646	74%	0.742	S	S	*	*			trans	-76.4	88.5	168	-58.2	176.1	0	0	0	106.4	S14 F18	S14-I16 PolarHBondContact O-N 3.05Å; I16-F18 VanDerWaalsContact C-N 3.29Å; I16-F18 HydrophobicContact CG2-CD2 3.61Å; I16-F18 HydrophobicContact CG2-CE2 3.8Å; I16-F18 PolarHBondContact O-N 2.99Å
17	C	58.9	Low	61.1	Low	112 Å²	112	129.8 Å²	129.8	76%	0.757	71%	0.711	S	S	*	*			trans	-64.5	94.3	162.1	-85.4	0	0	0	0	107.9	I15 G19	I15-C17 VanDerWaalsContact C-N 3.29Å; I15-C17 PolarHBondContact O-N 3.12Å; C17-G19 PolarHBondContact O-N 3.03Å
18	F	58.6	Low	63	Low	189 Å²	189	122 Å²	122	83%	0.829	67%	0.671	S	S	*	*			trans	-64.7	84.7	160.7	-100.2	-90.5	0	0	0	107.8	I16 L20	I16-F18 VanDerWaalsContact C-N 3.29Å; I16-F18 HydrophobicContact CG2-CD2 3.61Å; I16-F18 HydrophobicContact CG2-CE2 3.8Å; I16-F18 PolarHBondContact O-N 2.99Å; F18-L20 PolarHBondContact O-N 2.84Å; F18-L20 VanDerWaalsContact O-N 3.15Å
19	G	55.7	Low	64.8	Low	58 Å²	58	121 Å²	121	60%	0.598	65%	0.654	S	S	*	*			trans	-59.3	115.3	164.2	0	0	0	0	0	107.9	C17 I21	C17-G19 PolarHBondContact O-N 3.03Å; G19-I21 PolarHBondContact O-N 3.15Å
20	L	55	Low	66.8	Low	175 Å²	175	115.3 Å²	115.3	92%	0.916	62%	0.618	S	S	*	*			trans	-61.9	89.5	164	-81.4	158.2	0	0	0	107.6	F18 R22	F18-L20 PolarHBondContact O-N 2.84Å; F18-L20 VanDerWaalsContact O-N 3.15Å; L20-R22 PolarHBondContact O-N 3.29Å
21	I	55.4	Low	68.6	Low	165 Å²	165	109.3 Å²	109.3	85%	0.846	59%	0.587	S	S	*	*			trans	-66.8	94.3	162.1	-59.3	175.1	0	0	0	105.2	G19 S23	G19-I21 PolarHBondContact O-N 3.15Å; I21-S23 PolarHBondContact O-N 2.83Å
22	R	54.6	Low	70.6	Confident	234 Å²	234	103.3 Å²	103.3	88%	0.883	56%	0.556	S	S	*	*			trans	-62.1	107.9	167.3	-119.8	179.6	179.3	174.1	-0.5	106	L20 E24	L20-R22 PolarHBondContact O-N 3.29Å; R22-E24 PolarHBondContact O-N 3.3Å
23	S	52.4	Low	72.5	Confident	103 Å²	103	98.2 Å²	98.2	72%	0.72	53%	0.528	S	S	*	.			trans	-49.1	115	167.7	171.7	0	0	0	0	107.8	I21 A25	I21-S23 PolarHBondContact O-N 2.83Å; S23-A25 PolarHBondContact O-N 3.04Å
24	E	57.7	Low	74.4	Confident	145 Å²	145	91.5 Å²	91.5	68%	0.678	49%	0.492	S	S	*	.			trans	-56.3	132.8	168.6	-74.4	-162.9	161.8	0	0	107.7	R22 N26	R22-E24 PolarHBondContact O-N 3.3Å; E24-N26 PolarHBondContact O-N 2.91Å
25	A	66.7	Low	76.3	Confident	25 Å²	25	88.4 Å²	88.4	21%	0.207	47%	0.467	C	S	.	.			trans	-62.4	127.9	174.5	0	0	0	0	0	108.9	S23 G27 S205 T207	S23-A25 PolarHBondContact O-N 3.04Å; A25-G27 PolarHBondContact O-N 3.34Å; A25-G27 VanDerWaalsContact O-N 3.08Å; A25-S205 WeakPolarHBondContact O-CB 3.35Å; A25-S205 PolarHBondContact O-OG 3.27Å; A25-T207 HydrophobicContact CB-CG2 3.65Å
26	N	82.6	Confident	78	Confident	152 Å²	152	81.7 Å²	81.7	81%	0.813	43%	0.433	S	S	*	.	S	Bend	trans	-79.4	22.1	-177.5	-71.3	-34.3	0	0	0	114.2	E24	E24-N26 PolarHBondContact O-N 2.91Å
27	G	93.3	Very high	79.8	Confident	16 Å²	16	77.7 Å²	77.7	17%	0.165	41%	0.412	C	S	.	.	S	Bend	trans	-103.2	-172	179.9	0	0	0	0	0	113.6	A25 V206	A25-G27 PolarHBondContact O-N 3.34Å; A25-G27 VanDerWaalsContact O-N 3.08Å; G27-V206 WeakPolarHBondContact CA-O 3.5Å; G27-V206 PolarHBondContact N-O 3.34Å
28	P	96.8	Very high	81.7	Confident	12 Å²	12	72.5 Å²	72.5	8%	0.078	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-63.5	151.7	-178.7	27.2	-35.1	0	0	0	112	F53 L123 W130 S205 V206	P28-F53 HydrophobicContact CB-CB 4.31Å; P28-F53 HydrophobicContact CB-CD1 3.69Å; P28-F53 HydrophobicContact CB-CD2 4.16Å; P28-F53 HydrophobicContact CB-CE1 3.97Å; P28-F53 HydrophobicContact CB-CE2 4.39Å; P28-F53 HydrophobicContact CB-CG 3.79Å; P28-F53 HydrophobicContact CB-CZ 4.29Å; P28-F53 HydrophobicContact CG-CD1 3.78Å; P28-F53 HydrophobicContact CG-CD2 4Å; P28-F53 HydrophobicContact CG-CE1 3.52Å; P28-F53 HydrophobicContact CG-CE2 3.73Å; P28-F53 HydrophobicContact CG-CG 4.02Å; P28-F53 HydrophobicContact CG-CZ 3.47Å; P28-F53 VanDerWaalsContact CG-CZ 3.47Å; P28-L123 HydrophobicContact CB-CD1 4.13Å; P28-L123 HydrophobicContact CB-CD2 3.99Å; P28-L123 HydrophobicContact CG-CD1 4.25Å; P28-L123 HydrophobicContact CG-CD2 4.03Å; P28-W130 HydrophobicContact CG-CH2 3.96Å; P28-W130 HydrophobicContact CG-CZ3 4.05Å; P28-S205 WeakPolarHBondContact O-CA 3.3Å; P28-V206 HydrophobicContact CG-CG2 4.07Å; P28-V206 PolarHBondContact O-N 3.02Å
29	K	97.6	Very high	83.6	Confident	83 Å²	83	65 Å²	65	36%	0.361	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125	177.1	-65.3	-166.3	176	-162.7	0	111	P203 F204	K29-P203 HydrophobicContact CB-CB 4.43Å; K29-F204 CarbonylContact C-O 3.52Å; K29-F204 WeakPolarHBondContact CA-O 3.47Å
30	V	98.4	Very high	85.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	119.8	167.3	175.3	0	0	0	0	108.3	D32 K33 L52 F53 V200 P203 F204 V206	V30-D32 WeakPolarHBondContact CG1-O 3.29Å; V30-K33 HydrophobicContact CG1-CG 4.07Å; V30-L52 CarbonylContact C-O 3.58Å; V30-L52 WeakPolarHBondContact CA-O 3.4Å; V30-F53 HydrophobicContact CG2-CD1 4.25Å; V30-F53 HydrophobicContact CG2-CE1 3.93Å; V30-V200 HydrophobicContact CG1-CG2 4.34Å; V30-P203 WeakPolarHBondContact O-CA 3.4Å; V30-P203 WeakPolarHBondContact O-CB 3.27Å; 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 3.97Å; V30-F204 HydrophobicContact CB-CZ 3.7Å; V30-F204 HydrophobicContact CG1-CE1 3.79Å; V30-F204 HydrophobicContact CG1-CE2 4.44Å; V30-F204 HydrophobicContact CG1-CZ 3.69Å; V30-F204 HydrophobicContact CG2-CE2 3.95Å; V30-F204 HydrophobicContact CG2-CZ 4.01Å; V30-F204 PolarHBondContact N-O 3.1Å; V30-F204 PolarHBondContact O-N 2.77Å; V30-V206 HydrophobicContact CG2-CG1 3.69Å
31	T	98.6	Very high	87.6	Confident	21 Å²	21	59.2 Å²	59.2	13%	0.129	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-21.9	178.5	59.2	0	0	0	0	113.3	L52 G54 K55 V200 P203	T31-L52 PolarHBondContact N-O 2.8Å; T31-L52 PolarHBondContact OG1-O 3.48Å; T31-G54 WeakPolarHBondContact OG1-CA 3.45Å; T31-G54 PolarHBondContact OG1-N 3.12Å; T31-K55 HydrophobicContact CG2-CB 4.35Å; T31-K55 HydrophobicContact CG2-CD 4.4Å; T31-K55 HydrophobicContact CG2-CG 3.74Å; T31-V200 WeakPolarHBondContact O-CB 3.47Å; T31-P203 HydrophobicContact CG2-CB 4.46Å; T31-P203 HydrophobicContact CG2-CG 4.48Å
32	D	98.6	Very high	89.6	Confident	27 Å²	27	53.7 Å²	53.7	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.8	-178	-64.5	-98.2	0	0	0	107.5	V30 L52 K65 H197	V30-D32 WeakPolarHBondContact CG1-O 3.29Å; D32-L52 HydrophobicContact CB-CB 4.27Å; D32-L52 HydrophobicContact CB-CD1 4.35Å; D32-L52 PolarHBondContact O-N 3.23Å; D32-K65 IonicContact OD1-NZ 3.78Å; D32-H197 IonicContact OD1-CD2 2.79Å; D32-H197 IonicContact OD1-CE1 3.73Å; D32-H197 IonicContact OD1-NE2 3.08Å; D32-H197 PolarHBondContact OD1-NE2 3.39Å
33	K	98.8	Very high	91.7	Very high	42 Å²	42	50 Å²	50	18%	0.183	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	153.7	167.2	-73.7	-174.9	-61.3	174.9	0	109.4	V30 I49 I50 V166 H197 I198 V200	V30-K33 HydrophobicContact CG1-CG 4.07Å; K33-I49 HydrophobicContact CB-CG2 4.14Å; K33-I49 HydrophobicContact CD-CG2 3.87Å; K33-I49 HydrophobicContact CG-CG2 4.31Å; K33-I50 CarbonylContact C-O 3.59Å; K33-I50 VanDerWaalsContact CA-O 3.24Å; K33-I50 WeakPolarHBondContact CA-O 3.38Å; K33-V166 HydrophobicContact CD-CG2 4.06Å; K33-H197 PolarHBondContact O-CD2 3.3Å; K33-H197 VanDerWaalsContact O-CD2 3.29Å; K33-I198 HydrophobicContact CB-CB 3.86Å; K33-I198 HydrophobicContact CB-CG2 4.34Å; K33-I198 PolarHBondContact N-O 3.39Å; K33-I198 PolarHBondContact O-N 2.96Å; K33-V200 HydrophobicContact CB-CG2 4.25Å; K33-V200 HydrophobicContact CD-CG2 4.29Å; K33-V200 HydrophobicContact CG-CG2 3.75Å
34	V	98.9	Very high	93.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.9	165.6	-65.3	0	0	0	0	109	I49 I50 L52 F64 G196	V34-I49 WeakPolarHBondContact O-CA 3.48Å; V34-I50 HydrophobicContact CG2-CB 4.03Å; V34-I50 PolarHBondContact N-O 2.71Å; V34-I50 PolarHBondContact O-N 2.77Å; V34-L52 HydrophobicContact CG1-CD1 3.79Å; V34-L52 HydrophobicContact CG2-CD1 4.27Å; V34-L52 HydrophobicContact CG2-CD2 4.33Å; V34-L52 HydrophobicContact CG2-CG 4.43Å; V34-F64 HydrophobicContact CG2-CD1 4.02Å; V34-F64 HydrophobicContact CG2-CE1 3.69Å; V34-G196 CarbonylContact C-O 3.56Å; V34-G196 WeakPolarHBondContact CA-O 3.34Å; V34-G196 WeakPolarHBondContact CB-O 3.45Å
35	F	98.9	Very high	95.7	Very high	31 Å²	31	46.3 Å²	46.3	14%	0.136	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.9	173.9	72.3	-88.6	0	0	0	111.5	D37 R47 I48 I49 C195 G196 I198	F35-D37 WeakPolarHBondContact CE2-OD2 3.38Å; F35-R47 HydrophobicContact CB-CG 3.98Å; F35-I48 CarbonylContact C-O 3.48Å; F35-I48 VanDerWaalsContact CA-O 3.23Å; F35-I48 WeakPolarHBondContact CA-O 3.29Å; F35-I49 HydrophobicContact CB-CG1 4.37Å; F35-C195 VanDerWaalsContact CZ-C 3.49Å; F35-C195 WeakPolarHBondContact O-CA 3.5Å; F35-C195 WeakPolarHBondContact O-CB 3.26Å; F35-G196 WeakPolarHBondContact CD1-O 3.39Å; F35-G196 PolarHBondContact N-O 2.9Å; F35-G196 PolarHBondContact O-N 2.96Å; F35-I198 HydrophobicContact CB-CD1 3.97Å; F35-I198 HydrophobicContact CD1-CD1 3.94Å; F35-I198 HydrophobicContact CD1-CG1 3.88Å; F35-I198 HydrophobicContact CG-CD1 4.38Å
36	F	98.9	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	117.1	167.2	-63.3	-27.6	0	0	0	109.3	I38 R47 I48 I50 F64 Y81 F145 I192 C195	F36-I38 HydrophobicContact CB-CD1 3.85Å; F36-R47 CarbonylContact O-C 3.56Å; F36-R47 VanDerWaalsContact O-CA 3.3Å; F36-R47 WeakPolarHBondContact O-CA 3.32Å; F36-I48 PolarHBondContact N-O 3.08Å; F36-I48 PolarHBondContact O-N 3.2Å; F36-I50 HydrophobicContact CD2-CD1 3.89Å; F36-I50 HydrophobicContact CE2-CD1 3.66Å; F36-I50 HydrophobicContact CZ-CD1 4.42Å; F36-F64 HydrophobicContact CE2-CE1 4.35Å; F36-F64 AromaticContact CE2-CZ 3.91Å; F36-F64 HydrophobicContact CE2-CZ 3.91Å; F36-F64 AromaticContact CZ-CE1 3.74Å; F36-F64 HydrophobicContact CZ-CE1 3.74Å; F36-F64 AromaticContact CZ-CZ 3.5Å; F36-F64 HydrophobicContact CZ-CZ 3.5Å; F36-Y81 AromaticContact CE1-CD2 3.96Å; F36-Y81 HydrophobicContact CE1-CD2 3.96Å; F36-Y81 AromaticContact CZ-CD2 3.87Å; F36-Y81 HydrophobicContact CZ-CD2 3.87Å; F36-Y81 HydrophobicContact CZ-CE2 4.33Å; F36-F145 HydrophobicContact CD2-CZ 4.4Å; F36-F145 HydrophobicContact CE2-CE1 4.26Å; F36-F145 AromaticContact CE2-CE2 3.94Å; F36-F145 HydrophobicContact CE2-CE2 3.94Å; F36-F145 AromaticContact CE2-CZ 3.5Å; F36-F145 HydrophobicContact CE2-CZ 3.5Å; F36-F145 VanDerWaalsContact CE2-CZ 3.5Å; F36-F145 HydrophobicContact CZ-CE1 4.35Å; F36-F145 HydrophobicContact CZ-CZ 4.02Å; F36-I192 HydrophobicContact CB-CG1 4.46Å; F36-I192 HydrophobicContact CB-CG2 4.06Å; F36-I192 HydrophobicContact CD1-CD1 4.2Å; F36-I192 HydrophobicContact CD1-CG2 3.77Å; F36-I192 HydrophobicContact CD2-CD1 3.99Å; F36-I192 HydrophobicContact CE1-CD1 4.29Å; F36-I192 HydrophobicContact CE1-CG2 4.49Å; F36-I192 HydrophobicContact CE2-CD1 4.05Å; F36-I192 HydrophobicContact CG-CD1 4.08Å; F36-I192 HydrophobicContact CG-CG1 4.32Å; F36-I192 HydrophobicContact CG-CG2 4.04Å; F36-I192 HydrophobicContact CZ-CD1 4.2Å; F36-C195 HydrophobicContact CD1-CB 3.51Å; F36-C195 HydrophobicContact CE1-CB 3.84Å
37	D	98.8	Very high	98	Very high	41 Å²	41	45 Å²	45	22%	0.219	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	115.4	166.4	-66.7	-37.1	0	0	0	108.4	F35 R47 I192 A193 S194	F35-D37 WeakPolarHBondContact CE2-OD2 3.38Å; D37-R47 VanDerWaalsContact CG-NH2 3.34Å; D37-R47 WeakPolarHBondContact OD1-CB 3.47Å; D37-R47 IonicContact OD1-CZ 2.75Å; D37-R47 VanDerWaalsContact OD1-CZ 3.31Å; D37-R47 IonicContact OD1-NE 3.78Å; D37-R47 PolarHBondContact OD1-NE 3.18Å; D37-R47 IonicContact OD1-NH2 3.2Å; D37-R47 PolarHBondContact OD1-NH2 3.23Å; D37-R47 VanDerWaalsContact OD1-NH2 3.08Å; D37-R47 IonicContact OD2-CZ 3.95Å; D37-R47 IonicContact OD2-NE 2.82Å; D37-R47 IonicContact OD2-NH2 3.33Å; D37-R47 PolarHBondContact OD2-NH2 3.32Å; D37-I192 CarbonylContact O-C 3.37Å; D37-A193 PolarHBondContact O-N 2.8Å; D37-S194 PolarHBondContact N-O 2.83Å; D37-S194 PolarHBondContact O-N 3.4Å
38	I	98.8	Very high	98.2	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	141.3	-174.2	-55.1	-53.3	0	0	0	110.5	F36 L45 A46 I48 F86 I171 I175 I190 K191 I192	F36-I38 HydrophobicContact CB-CD1 3.85Å; I38-L45 HydrophobicContact CB-CB 4.34Å; I38-L45 HydrophobicContact CG2-CB 4.27Å; I38-L45 HydrophobicContact CG2-CD2 4.11Å; I38-L45 WeakPolarHBondContact O-CB 3.05Å; I38-L45 PolarHBondContact O-N 2.97Å; I38-A46 WeakPolarHBondContact CB-O 2.9Å; I38-A46 PolarHBondContact N-O 3.17Å; I38-I48 HydrophobicContact CD1-CD1 4.11Å; I38-I48 HydrophobicContact CG1-CD1 3.79Å; I38-I48 HydrophobicContact CG1-CG1 4.17Å; I38-F86 HydrophobicContact CD1-CE2 3.75Å; I38-F86 HydrophobicContact CD1-CZ 4.42Å; I38-I171 HydrophobicContact CB-CG2 4.23Å; I38-I171 HydrophobicContact CG1-CG2 4.03Å; I38-I175 HydrophobicContact CG1-CD1 4.3Å; I38-I175 HydrophobicContact CG2-CD1 4.05Å; I38-I175 HydrophobicContact CG2-CG1 4.45Å; I38-I190 HydrophobicContact CG2-CG2 3.96Å; I38-K191 WeakPolarHBondContact CA-O 3.5Å; I38-I192 HydrophobicContact CD1-CG1 4.19Å
39	E	98.3	Very high	98.3	Very high	32 Å²	32	44.5 Å²	44.5	15%	0.15	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.6	171.3	177.9	-166.4	110.4	0	0	109.2	G42 K43 I190 K191 A193	E39-G42 VanDerWaalsContact CD-C 3.48Å; E39-G42 WeakPolarHBondContact OE1-CA 3.16Å; E39-G42 PolarHBondContact OE1-N 2.95Å; E39-G42 VanDerWaalsContact OE1-N 3.1Å; E39-K43 CarbonylContact C-O 3.2Å; E39-K43 VanDerWaalsContact CA-O 3.28Å; E39-K43 WeakPolarHBondContact CA-O 3.47Å; E39-K43 WeakPolarHBondContact CG-O 3.06Å; E39-I190 WeakPolarHBondContact O-CA 3.36Å; E39-K191 HydrophobicContact CB-CB 4.49Å; E39-K191 PolarHBondContact N-O 3.37Å; E39-K191 PolarHBondContact O-N 2.78Å; E39-K191 IonicContact OE1-NZ 3.76Å; E39-K191 PolarHBondContact OE1-NZ 3.08Å; E39-A193 HydrophobicContact CB-CB 3.96Å
40	V	98.5	Very high	98.4	Very high	19 Å²	19	40.6 Å²	40.6	12%	0.115	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.5	171.7	-176.7	0	0	0	0	108.4	G42 K43 L45 K188 S189	V40-G42 PolarHBondContact O-N 3.22Å; V40-K43 PolarHBondContact N-O 3.34Å; V40-K43 WeakPolarHBondContact O-CB 3.09Å; V40-K43 PolarHBondContact O-N 2.75Å; V40-L45 HydrophobicContact CG2-CB 4.39Å; V40-L45 HydrophobicContact CG2-CD2 4Å; V40-K188 HydrophobicContact CG1-CB 3.81Å; V40-K188 HydrophobicContact CG1-CD 3.6Å; V40-K188 HydrophobicContact CG1-CG 4.39Å; V40-S189 CarbonylContact C-O 3.56Å; V40-S189 WeakPolarHBondContact CA-O 3.21Å
41	D	97.5	Very high	98.4	Very high	91 Å²	91	40.6 Å²	40.6	49%	0.487	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	49.7	-176.9	-71.4	-21	0	0	0	114.2	K43 K188 S189	D41-K43 PolarHBondContact O-N 2.99Å; D41-K188 WeakPolarHBondContact OD1-CA 3.37Å; D41-K188 WeakPolarHBondContact OD2-CB 3.47Å; D41-K188 WeakPolarHBondContact OD2-CD 3.31Å; D41-K188 VanDerWaalsContact OD2-CG 3.23Å; D41-K188 WeakPolarHBondContact OD2-CG 3.42Å; D41-S189 PolarHBondContact N-O 2.95Å; D41-S189 PolarHBondContact OD1-N 2.9Å
42	G	97	Very high	98.4	Very high	49 Å²	49	39.6 Å²	39.6	51%	0.505	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-11.5	180	0	0	0	0	0	114.6	E39 V40	E39-G42 VanDerWaalsContact CD-C 3.48Å; E39-G42 WeakPolarHBondContact OE1-CA 3.16Å; E39-G42 PolarHBondContact OE1-N 2.95Å; E39-G42 VanDerWaalsContact OE1-N 3.1Å; V40-G42 PolarHBondContact O-N 3.22Å
43	K	97.9	Very high	98.4	Very high	157 Å²	157	38.3 Å²	38.3	68%	0.683	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.7	-176.5	-61.8	179.2	-176.6	175.5	0	110.7	E39 V40 D41 L45	E39-K43 CarbonylContact C-O 3.2Å; E39-K43 VanDerWaalsContact CA-O 3.28Å; E39-K43 WeakPolarHBondContact CA-O 3.47Å; E39-K43 WeakPolarHBondContact CG-O 3.06Å; V40-K43 PolarHBondContact N-O 3.34Å; V40-K43 WeakPolarHBondContact O-CB 3.09Å; V40-K43 PolarHBondContact O-N 2.75Å; D41-K43 PolarHBondContact O-N 2.99Å; K43-L45 PolarHBondContact O-N 3.07Å
44	P	97.9	Very high	98.4	Very high	119 Å²	119	37 Å²	37	77%	0.773	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-54.8	132	173.4	-25.3	34.4	0	0	0	111
45	L	97.3	Very high	98.4	Very high	51 Å²	51	43.7 Å²	43.7	27%	0.267	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-77.2	175	177.7	56.5	0	0	0	110.2	I38 V40 K43 I171 Q174	I38-L45 HydrophobicContact CB-CB 4.34Å; I38-L45 HydrophobicContact CG2-CB 4.27Å; I38-L45 HydrophobicContact CG2-CD2 4.11Å; I38-L45 WeakPolarHBondContact O-CB 3.05Å; I38-L45 PolarHBondContact O-N 2.97Å; V40-L45 HydrophobicContact CG2-CB 4.39Å; V40-L45 HydrophobicContact CG2-CD2 4Å; K43-L45 PolarHBondContact O-N 3.07Å; L45-I171 HydrophobicContact CD2-CG2 3.71Å; L45-I171 HydrophobicContact CG-CG2 4.11Å; L45-Q174 HydrophobicContact CD2-CG 4.35Å
46	A	98.1	Very high	98.3	Very high	40 Å²	40	43.5 Å²	43.5	33%	0.331	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	-178.5	-178.6	0	0	0	0	0	110.5	I38 I171	I38-A46 WeakPolarHBondContact CB-O 2.9Å; I38-A46 PolarHBondContact N-O 3.17Å; A46-I171 HydrophobicContact CB-CD1 3.37Å; A46-I171 HydrophobicContact CB-CG1 3.64Å
47	R	98.6	Very high	98.3	Very high	111 Å²	111	43.5 Å²	43.5	42%	0.419	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	141.5	-179.1	-178.7	168.4	-72.6	-173.8	-2.3	112.4	F35 F36 D37 I49	F35-R47 HydrophobicContact CB-CG 3.98Å; F36-R47 CarbonylContact O-C 3.56Å; F36-R47 VanDerWaalsContact O-CA 3.3Å; F36-R47 WeakPolarHBondContact O-CA 3.32Å; D37-R47 VanDerWaalsContact CG-NH2 3.34Å; D37-R47 WeakPolarHBondContact OD1-CB 3.47Å; D37-R47 IonicContact OD1-CZ 2.75Å; D37-R47 VanDerWaalsContact OD1-CZ 3.31Å; D37-R47 IonicContact OD1-NE 3.78Å; D37-R47 PolarHBondContact OD1-NE 3.18Å; D37-R47 IonicContact OD1-NH2 3.2Å; D37-R47 PolarHBondContact OD1-NH2 3.23Å; D37-R47 VanDerWaalsContact OD1-NH2 3.08Å; D37-R47 IonicContact OD2-CZ 3.95Å; D37-R47 IonicContact OD2-NE 2.82Å; D37-R47 IonicContact OD2-NH2 3.33Å; D37-R47 PolarHBondContact OD2-NH2 3.32Å; R47-I49 HydrophobicContact CG-CG1 4Å
48	I	98.8	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.8	163.1	-57.9	167.5	0	0	0	107.6	F35 F36 I38 I50 V165 I171 V172 I175	F35-I48 CarbonylContact C-O 3.48Å; F35-I48 VanDerWaalsContact CA-O 3.23Å; F35-I48 WeakPolarHBondContact CA-O 3.29Å; F36-I48 PolarHBondContact N-O 3.08Å; F36-I48 PolarHBondContact O-N 3.2Å; I38-I48 HydrophobicContact CD1-CD1 4.11Å; I38-I48 HydrophobicContact CG1-CD1 3.79Å; I38-I48 HydrophobicContact CG1-CG1 4.17Å; I48-I50 HydrophobicContact CG2-CD1 4.43Å; I48-I50 HydrophobicContact CG2-CG1 3.91Å; I48-V165 HydrophobicContact CG2-CG1 4.09Å; I48-V165 HydrophobicContact CG2-CG2 4.2Å; I48-I171 HydrophobicContact CD1-CB 4.36Å; I48-I171 HydrophobicContact CD1-CG2 4.14Å; I48-I171 HydrophobicContact CG1-CB 3.88Å; I48-I171 HydrophobicContact CG1-CG2 3.95Å; I48-V172 HydrophobicContact CD1-CG2 3.7Å; I48-V172 HydrophobicContact CG1-CG2 4.25Å; I48-V172 HydrophobicContact CG2-CG2 4.3Å; I48-I175 HydrophobicContact CD1-CD1 4.18Å
49	I	98.7	Very high	98.3	Very high	17 Å²	17	51.1 Å²	51.1	9%	0.087	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.1	170.9	-54.1	-172.3	0	0	0	109.1	K33 V34 F35 R47 V166 E167 I198	K33-I49 HydrophobicContact CB-CG2 4.14Å; K33-I49 HydrophobicContact CD-CG2 3.87Å; K33-I49 HydrophobicContact CG-CG2 4.31Å; V34-I49 WeakPolarHBondContact O-CA 3.48Å; F35-I49 HydrophobicContact CB-CG1 4.37Å; R47-I49 HydrophobicContact CG-CG1 4Å; I49-V166 HydrophobicContact CB-CG2 4.03Å; I49-V166 HydrophobicContact CG2-CG2 3.64Å; I49-V166 WeakPolarHBondContact O-CG2 3.33Å; I49-V166 PolarHBondContact O-N 2.97Å; I49-E167 HydrophobicContact CB-CB 4Å; I49-E167 HydrophobicContact CB-CG 4.45Å; I49-E167 HydrophobicContact CD1-CB 4.43Å; I49-E167 HydrophobicContact CG1-CB 4.23Å; I49-E167 PolarHBondContact N-O 2.85Å; I49-E167 PolarHBondContact O-N 3.16Å; I49-I198 HydrophobicContact CD1-CD1 4.2Å; I49-I198 HydrophobicContact CG2-CD1 4.34Å
50	I	98.9	Very high	98.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.1	-175.4	-50.1	168.4	0	0	0	108.8	K33 V34 F36 I48 L52 L131 I147 V165	K33-I50 CarbonylContact C-O 3.59Å; K33-I50 VanDerWaalsContact CA-O 3.24Å; K33-I50 WeakPolarHBondContact CA-O 3.38Å; V34-I50 HydrophobicContact CG2-CB 4.03Å; V34-I50 PolarHBondContact N-O 2.71Å; V34-I50 PolarHBondContact O-N 2.77Å; F36-I50 HydrophobicContact CD2-CD1 3.89Å; F36-I50 HydrophobicContact CE2-CD1 3.66Å; F36-I50 HydrophobicContact CZ-CD1 4.42Å; I48-I50 HydrophobicContact CG2-CD1 4.43Å; I48-I50 HydrophobicContact CG2-CG1 3.91Å; I50-L52 HydrophobicContact CG2-CD2 4.13Å; I50-L131 HydrophobicContact CD1-CD2 4.32Å; I50-L131 HydrophobicContact CG2-CB 4.2Å; I50-L131 HydrophobicContact CG2-CD2 3.54Å; I50-L131 HydrophobicContact CG2-CG 4.44Å; I50-I147 HydrophobicContact CD1-CD1 4.11Å; I50-V165 HydrophobicContact CG1-CG2 4.42Å
51	G	98.7	Very high	98.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	136.8	169.3	0	0	0	0	0	111.2	G163 K164	G51-G163 CarbonylContact O-C 3.58Å; G51-G163 WeakPolarHBondContact O-CA 3.21Å; G51-K164 PolarHBondContact N-O 3.3Å; G51-K164 PolarHBondContact O-N 3.26Å
52	L	98.9	Very high	98.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.1	-176.3	-55.5	-177.9	0	0	0	111.4	V30 T31 D32 V34 I50 G54 V61 F64 K65 L131 F162	V30-L52 CarbonylContact C-O 3.58Å; V30-L52 WeakPolarHBondContact CA-O 3.4Å; T31-L52 PolarHBondContact N-O 2.8Å; T31-L52 PolarHBondContact OG1-O 3.48Å; D32-L52 HydrophobicContact CB-CB 4.27Å; D32-L52 HydrophobicContact CB-CD1 4.35Å; D32-L52 PolarHBondContact O-N 3.23Å; V34-L52 HydrophobicContact CG1-CD1 3.79Å; V34-L52 HydrophobicContact CG2-CD1 4.27Å; V34-L52 HydrophobicContact CG2-CD2 4.33Å; V34-L52 HydrophobicContact CG2-CG 4.43Å; I50-L52 HydrophobicContact CG2-CD2 4.13Å; L52-G54 PolarHBondContact O-N 3.15Å; L52-V61 HydrophobicContact CB-CB 4.41Å; L52-V61 HydrophobicContact CB-CG1 3.73Å; L52-V61 HydrophobicContact CB-CG2 3.88Å; L52-V61 HydrophobicContact CD1-CG1 4Å; L52-F64 HydrophobicContact CD1-CD1 4.22Å; L52-F64 HydrophobicContact CD2-CD1 3.95Å; L52-F64 HydrophobicContact CD2-CE1 4.38Å; L52-K65 HydrophobicContact CD1-CB 4.31Å; L52-L131 HydrophobicContact CD2-CD2 3.95Å; L52-F162 HydrophobicContact CD2-CD2 4.18Å; L52-F162 HydrophobicContact CD2-CE2 4.22Å
53	F	98.7	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.			trans	-95.6	59	-171.2	-52.1	-41.9	0	0	0	113.3	P28 V30 K55 T56 V57 L123 W130 F162 G163 K164 V206	P28-F53 HydrophobicContact CB-CB 4.31Å; P28-F53 HydrophobicContact CB-CD1 3.69Å; P28-F53 HydrophobicContact CB-CD2 4.16Å; P28-F53 HydrophobicContact CB-CE1 3.97Å; P28-F53 HydrophobicContact CB-CE2 4.39Å; P28-F53 HydrophobicContact CB-CG 3.79Å; P28-F53 HydrophobicContact CB-CZ 4.29Å; P28-F53 HydrophobicContact CG-CD1 3.78Å; P28-F53 HydrophobicContact CG-CD2 4Å; P28-F53 HydrophobicContact CG-CE1 3.52Å; P28-F53 HydrophobicContact CG-CE2 3.73Å; P28-F53 HydrophobicContact CG-CG 4.02Å; P28-F53 HydrophobicContact CG-CZ 3.47Å; P28-F53 VanDerWaalsContact CG-CZ 3.47Å; V30-F53 HydrophobicContact CG2-CD1 4.25Å; V30-F53 HydrophobicContact CG2-CE1 3.93Å; F53-K55 PolarHBondContact O-N 2.98Å; F53-K55 VanDerWaalsContact O-N 3.09Å; F53-T56 PolarHBondContact O-N 3.25Å; F53-V57 HydrophobicContact CB-CG2 4.48Å; F53-V57 PolarHBondContact O-N 3.47Å; F53-V57 VanDerWaalsContact O-N 3.08Å; F53-L123 HydrophobicContact CB-CD1 4.17Å; F53-L123 HydrophobicContact CD2-CD1 3.25Å; F53-L123 HydrophobicContact CE2-CD1 3.86Å; F53-L123 HydrophobicContact CG-CD1 3.98Å; F53-W130 AromaticContact CE2-CE3 3.9Å; F53-W130 HydrophobicContact CE2-CE3 3.9Å; F53-W130 HydrophobicContact CE2-CH2 4.5Å; F53-W130 AromaticContact CE2-CZ3 3.53Å; F53-W130 HydrophobicContact CE2-CZ3 3.53Å; F53-W130 HydrophobicContact CZ-CE3 4.26Å; F53-W130 HydrophobicContact CZ-CH2 4.39Å; F53-W130 AromaticContact CZ-CZ3 3.8Å; F53-W130 HydrophobicContact CZ-CZ3 3.8Å; F53-F162 WeakPolarHBondContact CD2-O 3.39Å; F53-F162 PolarHBondContact N-O 2.74Å; F53-G163 WeakPolarHBondContact CE2-O 3.47Å; F53-G163 VanDerWaalsContact CZ-C 3.44Å; F53-K164 HydrophobicContact CE1-CB 4.48Å; F53-K164 HydrophobicContact CZ-CB 3.7Å; F53-V206 HydrophobicContact CE1-CG2 3.73Å; F53-V206 HydrophobicContact CZ-CG2 3.95Å
54	G	98.5	Very high	98.6	Very high	14 Å²	14	37.6 Å²	37.6	14%	0.144	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.1	-170.4	0	0	0	0	0	115.1	T31 L52 T56 P58	T31-G54 WeakPolarHBondContact OG1-CA 3.45Å; T31-G54 PolarHBondContact OG1-N 3.12Å; L52-G54 PolarHBondContact O-N 3.15Å; G54-T56 VanDerWaalsContact C-N 3.34Å; G54-P58 VanDerWaalsContact O-CA 3.31Å; G54-P58 WeakPolarHBondContact O-CA 3.49Å; G54-P58 VanDerWaalsContact O-CB 3.29Å; G54-P58 WeakPolarHBondContact O-CB 3.31Å; G54-P58 WeakPolarHBondContact O-CD 3.33Å
55	K	97.9	Very high	98.6	Very high	141 Å²	141	33.4 Å²	33.4	61%	0.613	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-21.4	169.7	-75	-173.9	-178.5	-170	0	113.7	T31 F53	T31-K55 HydrophobicContact CG2-CB 4.35Å; T31-K55 HydrophobicContact CG2-CD 4.4Å; T31-K55 HydrophobicContact CG2-CG 3.74Å; F53-K55 PolarHBondContact O-N 2.98Å; F53-K55 VanDerWaalsContact O-N 3.09Å
56	T	98.3	Very high	98.6	Very high	27 Å²	27	33.1 Å²	33.1	17%	0.166	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-41.4	-175.1	-48.1	0	0	0	0	111.8	F53 G54 N120 K122 L123	F53-T56 PolarHBondContact O-N 3.25Å; G54-T56 VanDerWaalsContact C-N 3.34Å; T56-N120 PolarHBondContact O-ND2 3.39Å; T56-K122 HydrophobicContact CG2-CB 4.1Å; T56-K122 HydrophobicContact CG2-CD 4.18Å; T56-L123 HydrophobicContact CG2-CD1 3.94Å; T56-L123 HydrophobicContact CG2-CD2 4.42Å; T56-L123 HydrophobicContact CG2-CG 3.9Å
57	V	98.7	Very high	98.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.			trans	-138.8	64.5	-176.8	-76.8	0	0	0	0	110.4	F53 K59 T60 V61 E119 N120 V160 F162	F53-V57 HydrophobicContact CB-CG2 4.48Å; F53-V57 PolarHBondContact O-N 3.47Å; F53-V57 VanDerWaalsContact O-N 3.08Å; V57-K59 VanDerWaalsContact C-N 3.33Å; V57-K59 PolarHBondContact O-N 2.85Å; V57-T60 PolarHBondContact O-N 3.09Å; V57-V61 HydrophobicContact CG2-CG2 4.19Å; V57-V61 WeakPolarHBondContact O-CB 3.39Å; V57-V61 WeakPolarHBondContact O-CG2 3.32Å; V57-V61 PolarHBondContact O-N 2.83Å; V57-E119 VanDerWaalsContact C-CD 3.47Å; V57-E119 VanDerWaalsContact CA-CD 3.46Å; V57-E119 WeakPolarHBondContact CA-OE2 3.35Å; V57-E119 VanDerWaalsContact CB-OE2 3.31Å; V57-E119 WeakPolarHBondContact CB-OE2 3.45Å; V57-E119 HydrophobicContact CG1-CB 4.36Å; V57-E119 HydrophobicContact CG1-CG 4.32Å; V57-N120 WeakPolarHBondContact CG1-ND2 3.41Å; V57-V160 HydrophobicContact CG1-CG1 3.89Å; V57-F162 HydrophobicContact CG2-CB 3.5Å; V57-F162 VanDerWaalsContact CG2-CB 3.5Å
58	P	98.7	Very high	98.7	Very high	69 Å²	69	25.9 Å²	25.9	45%	0.448	13%	0.128	S	C	.	.	H	α-helix	trans	-56	-38.9	-174.2	19.3	-32.2	0	0	0	114.4	G54 E62 E119	G54-P58 VanDerWaalsContact O-CA 3.31Å; G54-P58 WeakPolarHBondContact O-CA 3.49Å; G54-P58 VanDerWaalsContact O-CB 3.29Å; G54-P58 WeakPolarHBondContact O-CB 3.31Å; G54-P58 WeakPolarHBondContact O-CD 3.33Å; P58-E62 VanDerWaalsContact O-CB 3.28Å; P58-E62 WeakPolarHBondContact O-CB 3.48Å; P58-E62 PolarHBondContact O-N 2.59Å; P58-E119 WeakPolarHBondContact CD-OE1 3.34Å; P58-E119 VanDerWaalsContact CG-OE1 3.31Å; P58-E119 WeakPolarHBondContact CG-OE1 3.43Å; P58-E119 VanDerWaalsContact N-OE1 3.15Å
59	K	98.8	Very high	98.7	Very high	136 Å²	136	29.9 Å²	29.9	59%	0.591	15%	0.149	S	C	*	.	H	α-helix	trans	-70.7	-43.6	-179.6	-63.4	-179.6	179.4	179	0	111.3	V57 V61 E62 N63 Y112 E119	V57-K59 VanDerWaalsContact C-N 3.33Å; V57-K59 PolarHBondContact O-N 2.85Å; K59-V61 VanDerWaalsContact C-N 3.31Å; K59-V61 PolarHBondContact O-N 3.11Å; K59-E62 PolarHBondContact O-N 2.99Å; K59-N63 PolarHBondContact O-N 3.09Å; K59-Y112 HydrophobicContact CB-CE2 4.36Å; K59-Y112 PolarHBondContact O-OH 3.45Å; K59-E119 PolarHBondContact N-OE1 2.83Å; K59-E119 PolarHBondContact N-OE2 3.43Å; K59-E119 VanDerWaalsContact N-OE2 3.16Å
60	T	98.9	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-42.7	178.5	-48.6	0	0	0	0	110.7	V57 N63 F64 F116 E119 M133 V160 F162	V57-T60 PolarHBondContact O-N 3.09Å; T60-N63 PolarHBondContact O-N 3.35Å; T60-F64 PolarHBondContact O-N 3.11Å; T60-F64 VanDerWaalsContact O-N 3.08Å; T60-F116 HydrophobicContact CG2-CE2 4.45Å; T60-F116 HydrophobicContact CG2-CZ 4.28Å; T60-E119 WeakPolarHBondContact CB-OE2 3.49Å; T60-E119 PolarHBondContact N-OE2 3.26Å; T60-E119 PolarHBondContact OG1-OE2 3.47Å; T60-M133 HydrophobicContact CG2-CG 3.65Å; T60-M133 HydrophobicContact CG2-SD 4.01Å; T60-V160 HydrophobicContact CG2-CG1 4.13Å; T60-F162 HydrophobicContact CG2-CB 3.7Å; T60-F162 HydrophobicContact CG2-CD1 3.69Å; T60-F162 HydrophobicContact CG2-CD2 4.27Å; T60-F162 HydrophobicContact CG2-CE1 4.36Å; T60-F162 HydrophobicContact CG2-CG 3.63Å
61	V	98.8	Very high	98.5	Very high	3 Å²	3	32 Å²	32	2%	0.018	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-44.4	176.1	165.8	0	0	0	0	112.1	L52 V57 K59 N63 F64 K65 F162	L52-V61 HydrophobicContact CB-CB 4.41Å; L52-V61 HydrophobicContact CB-CG1 3.73Å; L52-V61 HydrophobicContact CB-CG2 3.88Å; L52-V61 HydrophobicContact CD1-CG1 4Å; V57-V61 HydrophobicContact CG2-CG2 4.19Å; V57-V61 WeakPolarHBondContact O-CB 3.39Å; V57-V61 WeakPolarHBondContact O-CG2 3.32Å; V57-V61 PolarHBondContact O-N 2.83Å; K59-V61 VanDerWaalsContact C-N 3.31Å; K59-V61 PolarHBondContact O-N 3.11Å; V61-N63 VanDerWaalsContact C-N 3.34Å; V61-N63 PolarHBondContact O-N 2.78Å; V61-F64 PolarHBondContact O-N 2.72Å; V61-K65 VanDerWaalsContact O-CB 3.22Å; V61-K65 WeakPolarHBondContact O-CB 3.36Å; V61-K65 PolarHBondContact O-N 3.35Å; V61-F162 HydrophobicContact CG2-CB 4.49Å
62	E	98.7	Very high	98.4	Very high	61 Å²	61	39.1 Å²	39.1	29%	0.285	20%	0.202	S	C	.	.	H	α-helix	trans	-61.7	-44.1	178.4	-175.9	60.5	-150	0	0	111	P58 K59 F64 K65 Q66 I111 Y112	P58-E62 VanDerWaalsContact O-CB 3.28Å; P58-E62 WeakPolarHBondContact O-CB 3.48Å; P58-E62 PolarHBondContact O-N 2.59Å; K59-E62 PolarHBondContact O-N 2.99Å; E62-F64 PolarHBondContact O-N 2.94Å; E62-K65 PolarHBondContact O-N 2.93Å; E62-K65 WeakPolarHBondContact OE2-CE 3.44Å; E62-K65 IonicContact OE2-NZ 3.56Å; E62-K65 PolarHBondContact OE2-NZ 2.86Å; E62-Q66 HydrophobicContact CG-CG 4.38Å; E62-Q66 WeakPolarHBondContact O-CB 3.36Å; E62-Q66 VanDerWaalsContact O-CG 3.23Å; E62-Q66 WeakPolarHBondContact O-CG 3.38Å; E62-Q66 PolarHBondContact O-N 2.76Å; E62-Q66 WeakPolarHBondContact OE1-CG 3.37Å; E62-Q66 PolarHBondContact OE1-NE2 2.92Å; E62-I111 HydrophobicContact CG-CD1 4.15Å; E62-Y112 WeakPolarHBondContact CB-OH 3.48Å
63	N	98.8	Very high	98.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-53.8	-54.5	172.5	178.2	57.5	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 3.35Å; V61-N63 VanDerWaalsContact C-N 3.34Å; V61-N63 PolarHBondContact O-N 2.78Å; N63-K65 PolarHBondContact O-N 2.79Å; N63-Q66 PolarHBondContact O-N 3.39Å; N63-L67 WeakPolarHBondContact O-CB 3.44Å; N63-L67 WeakPolarHBondContact O-CD1 3.18Å; N63-L67 VanDerWaalsContact O-CG 3.3Å; N63-L67 WeakPolarHBondContact O-CG 3.29Å; N63-L67 PolarHBondContact O-N 3.37Å; N63-L67 WeakPolarHBondContact OD1-CD1 3.34Å; N63-S110 VanDerWaalsContact OD1-CA 3.25Å; N63-S110 WeakPolarHBondContact OD1-CA 3.01Å; N63-S110 VanDerWaalsContact OD1-CB 3.25Å; N63-S110 WeakPolarHBondContact OD1-CB 3.35Å; N63-I111 HydrophobicContact CB-CG1 4.26Å; N63-I111 PolarHBondContact OD1-N 3.21Å; N63-Y112 HydrophobicContact CB-CD2 4.44Å; N63-Y112 HydrophobicContact CB-CE2 3.76Å; N63-G142 PolarHBondContact ND2-O 2.9Å
64	F	98.9	Very high	97.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.5	-39.5	-176.8	-163.2	-97.4	0	0	0	113.2	V34 F36 L52 T60 V61 E62 S68 Y81 L131 F145 F162	V34-F64 HydrophobicContact CG2-CD1 4.02Å; V34-F64 HydrophobicContact CG2-CE1 3.69Å; F36-F64 HydrophobicContact CE2-CE1 4.35Å; F36-F64 AromaticContact CE2-CZ 3.91Å; F36-F64 HydrophobicContact CE2-CZ 3.91Å; F36-F64 AromaticContact CZ-CE1 3.74Å; F36-F64 HydrophobicContact CZ-CE1 3.74Å; F36-F64 AromaticContact CZ-CZ 3.5Å; F36-F64 HydrophobicContact CZ-CZ 3.5Å; L52-F64 HydrophobicContact CD1-CD1 4.22Å; L52-F64 HydrophobicContact CD2-CD1 3.95Å; L52-F64 HydrophobicContact CD2-CE1 4.38Å; T60-F64 PolarHBondContact O-N 3.11Å; T60-F64 VanDerWaalsContact O-N 3.08Å; V61-F64 PolarHBondContact O-N 2.72Å; E62-F64 PolarHBondContact O-N 2.94Å; F64-S68 WeakPolarHBondContact O-CB 3.33Å; F64-S68 PolarHBondContact O-N 2.61Å; F64-S68 PolarHBondContact O-OG 2.82Å; F64-Y81 HydrophobicContact CD1-CE2 4.34Å; F64-Y81 AromaticContact CD2-CE2 3.62Å; F64-Y81 HydrophobicContact CD2-CE2 3.62Å; F64-Y81 AromaticContact CD2-CZ 3.75Å; F64-Y81 WeakPolarHBondContact CD2-OH 3.38Å; F64-Y81 HydrophobicContact CE1-CE2 4.25Å; F64-Y81 AromaticContact CE2-CE2 3.49Å; F64-Y81 HydrophobicContact CE2-CE2 3.49Å; F64-Y81 VanDerWaalsContact CE2-CE2 3.49Å; F64-Y81 AromaticContact CE2-CZ 3.67Å; F64-Y81 VanDerWaalsContact CE2-OH 3.3Å; F64-Y81 WeakPolarHBondContact CE2-OH 3.2Å; F64-Y81 HydrophobicContact CG-CE2 4.05Å; F64-Y81 AromaticContact CZ-CE2 3.85Å; F64-Y81 HydrophobicContact CZ-CE2 3.85Å; F64-L131 HydrophobicContact CD1-CD2 4.27Å; F64-L131 HydrophobicContact CE1-CD2 3.75Å; F64-L131 HydrophobicContact CE2-CD1 4.44Å; F64-L131 HydrophobicContact CE2-CD2 4.22Å; F64-L131 HydrophobicContact CZ-CD1 4.18Å; F64-L131 HydrophobicContact CZ-CD2 3.74Å; F64-F145 HydrophobicContact CE2-CB 3.88Å; F64-F145 AromaticContact CE2-CD1 3.49Å; F64-F145 HydrophobicContact CE2-CD1 3.49Å; F64-F145 VanDerWaalsContact CE2-CD1 3.49Å; F64-F145 HydrophobicContact CE2-CD2 4.21Å; F64-F145 AromaticContact CE2-CE1 3.99Å; F64-F145 HydrophobicContact CE2-CE1 3.99Å; F64-F145 AromaticContact CE2-CG 3.59Å; F64-F145 HydrophobicContact CE2-CG 3.59Å; F64-F145 HydrophobicContact CZ-CD1 4.08Å; F64-F145 HydrophobicContact CZ-CD2 4.31Å; F64-F145 HydrophobicContact CZ-CE1 4.18Å; F64-F145 HydrophobicContact CZ-CE2 4.42Å; F64-F145 HydrophobicContact CZ-CG 4.12Å; F64-F145 HydrophobicContact CZ-CZ 4.36Å; F64-F162 HydrophobicContact CB-CD2 4.36Å; F64-F162 HydrophobicContact CB-CE2 3.64Å; F64-F162 HydrophobicContact CB-CZ 4.3Å; F64-F162 AromaticContact CD1-CE2 3.88Å; F64-F162 HydrophobicContact CD1-CE2 3.88Å; F64-F162 AromaticContact CD2-CE2 3.43Å; F64-F162 HydrophobicContact CD2-CE2 3.43Å; F64-F162 VanDerWaalsContact CD2-CE2 3.43Å; F64-F162 AromaticContact CD2-CZ 3.36Å; F64-F162 HydrophobicContact CD2-CZ 3.36Å; F64-F162 HydrophobicContact CE1-CE2 4.33Å; F64-F162 AromaticContact CE2-CE2 3.97Å; F64-F162 HydrophobicContact CE2-CE2 3.97Å; F64-F162 AromaticContact CE2-CZ 3.68Å; F64-F162 HydrophobicContact CE2-CZ 3.68Å; F64-F162 HydrophobicContact CG-CD2 4.45Å; F64-F162 AromaticContact CG-CE2 3.38Å; F64-F162 HydrophobicContact CG-CE2 3.38Å; F64-F162 AromaticContact CG-CZ 3.85Å; F64-F162 HydrophobicContact CG-CZ 3.85Å; F64-F162 HydrophobicContact CZ-CE2 4.38Å; F64-F162 HydrophobicContact CZ-CZ 4.37Å
65	K	98.7	Very high	97.7	Very high	31 Å²	31	54.5 Å²	54.5	14%	0.135	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-48.8	176.6	-179.6	-179.7	63.5	-173.3	0	111	D32 L52 V61 E62 N63 S68 I69 H197	D32-K65 IonicContact OD1-NZ 3.78Å; L52-K65 HydrophobicContact CD1-CB 4.31Å; V61-K65 VanDerWaalsContact O-CB 3.22Å; V61-K65 WeakPolarHBondContact O-CB 3.36Å; V61-K65 PolarHBondContact O-N 3.35Å; E62-K65 PolarHBondContact O-N 2.93Å; E62-K65 WeakPolarHBondContact OE2-CE 3.44Å; E62-K65 IonicContact OE2-NZ 3.56Å; E62-K65 PolarHBondContact OE2-NZ 2.86Å; N63-K65 PolarHBondContact O-N 2.79Å; K65-S68 WeakPolarHBondContact O-CA 3.08Å; K65-S68 WeakPolarHBondContact O-CB 3.41Å; K65-S68 PolarHBondContact O-N 2.9Å; K65-I69 HydrophobicContact CG-CD1 4.03Å; K65-I69 WeakPolarHBondContact O-CG1 3.22Å; K65-I69 PolarHBondContact O-N 2.77Å; K65-H197 HydrophobicContact CG-CB 4.17Å
66	Q	98.6	Very high	97.5	Very high	45 Å²	45	50.2 Å²	50.2	21%	0.21	27%	0.266	C	S	.	.	H	α-helix	trans	-63.6	-42.2	179	-69	-62.2	-37.8	0	0	111.8	E62 N63 S68 I69 G70 T71 I111	E62-Q66 HydrophobicContact CG-CG 4.38Å; E62-Q66 WeakPolarHBondContact O-CB 3.36Å; E62-Q66 VanDerWaalsContact O-CG 3.23Å; E62-Q66 WeakPolarHBondContact O-CG 3.38Å; E62-Q66 PolarHBondContact O-N 2.76Å; E62-Q66 WeakPolarHBondContact OE1-CG 3.37Å; E62-Q66 PolarHBondContact OE1-NE2 2.92Å; N63-Q66 PolarHBondContact O-N 3.39Å; Q66-S68 PolarHBondContact O-N 3.24Å; Q66-I69 PolarHBondContact O-N 2.74Å; Q66-I69 VanDerWaalsContact O-N 3.14Å; Q66-G70 PolarHBondContact O-N 2.67Å; Q66-T71 WeakPolarHBondContact CB-OG1 3.44Å; Q66-T71 PolarHBondContact O-OG1 2.82Å; Q66-T71 PolarHBondContact OE1-OG1 3.5Å; Q66-I111 HydrophobicContact CB-CD1 4Å; Q66-I111 HydrophobicContact CB-CG2 3.67Å; Q66-I111 HydrophobicContact CG-CD1 3.78Å
67	L	98.7	Very high	97.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-32.2	171.7	-73.2	165	0	0	0	112.8	N63 A79 S80 Y81 F100 I111	N63-L67 WeakPolarHBondContact O-CB 3.44Å; N63-L67 WeakPolarHBondContact O-CD1 3.18Å; N63-L67 VanDerWaalsContact O-CG 3.3Å; N63-L67 WeakPolarHBondContact O-CG 3.29Å; N63-L67 PolarHBondContact O-N 3.37Å; N63-L67 WeakPolarHBondContact OD1-CD1 3.34Å; L67-A79 HydrophobicContact CD2-CB 3.49Å; L67-A79 VanDerWaalsContact CD2-CB 3.49Å; L67-S80 CarbonylContact O-C 3.59Å; L67-S80 VanDerWaalsContact O-CA 3.26Å; L67-S80 WeakPolarHBondContact O-CA 3.46Å; L67-Y81 HydrophobicContact CB-CD1 4.4Å; L67-Y81 HydrophobicContact CB-CD2 3.8Å; L67-Y81 HydrophobicContact CB-CE1 4.05Å; L67-Y81 HydrophobicContact CB-CE2 3.41Å; L67-Y81 VanDerWaalsContact CB-CE2 3.41Å; L67-Y81 HydrophobicContact CB-CG 4.28Å; L67-Y81 HydrophobicContact CD1-CE1 4.1Å; L67-Y81 HydrophobicContact CD1-CE2 4.34Å; L67-Y81 VanDerWaalsContact CD1-OH 3.25Å; L67-Y81 WeakPolarHBondContact CD1-OH 3.48Å; L67-Y81 HydrophobicContact CG-CE2 4.48Å; L67-Y81 PolarHBondContact O-N 2.84Å; L67-F100 HydrophobicContact CD2-CD1 4.29Å; L67-F100 HydrophobicContact CD2-CE1 3.46Å; L67-F100 VanDerWaalsContact CD2-CE1 3.46Å; L67-F100 HydrophobicContact CD2-CZ 3.98Å; L67-I111 HydrophobicContact CG-CG2 4.39Å
68	S	98.7	Very high	97.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-75.9	-32.2	176	-55.7	0	0	0	0	112.4	F64 K65 Q66 C195 G196	F64-S68 WeakPolarHBondContact O-CB 3.33Å; F64-S68 PolarHBondContact O-N 2.61Å; F64-S68 PolarHBondContact O-OG 2.82Å; K65-S68 WeakPolarHBondContact O-CA 3.08Å; K65-S68 WeakPolarHBondContact O-CB 3.41Å; K65-S68 PolarHBondContact O-N 2.9Å; Q66-S68 PolarHBondContact O-N 3.24Å; S68-C195 CarbonylContact O-C 3.53Å; S68-C195 PolarHBondContact O-SG 3.23Å; S68-G196 VanDerWaalsContact O-CA 3.3Å; S68-G196 WeakPolarHBondContact O-CA 3.46Å; S68-G196 PolarHBondContact O-N 3.46Å
69	I	98.4	Very high	97.1	Very high	84 Å²	84	53.6 Å²	53.6	43%	0.431	28%	0.276	S	S	.	.	H	α-helix	trans	-73.1	-38.1	174.9	-67.8	164.7	0	0	0	110.9	K65 Q66 H197	K65-I69 HydrophobicContact CG-CD1 4.03Å; K65-I69 WeakPolarHBondContact O-CG1 3.22Å; K65-I69 PolarHBondContact O-N 2.77Å; Q66-I69 PolarHBondContact O-N 2.74Å; Q66-I69 VanDerWaalsContact O-N 3.14Å; I69-H197 HydrophobicContact CD1-CB 3.79Å; I69-H197 HydrophobicContact CG1-CB 3.66Å
70	G	97.8	Very high	97.1	Very high	29 Å²	29	48.1 Å²	48.1	30%	0.299	26%	0.255	S	S	.	.			trans	89.5	100.4	-168.2	0	0	0	0	0	110.6	Q66 A79	Q66-G70 PolarHBondContact O-N 2.67Å; G70-A79 WeakPolarHBondContact CA-O 3.22Å
71	T	95.7	Very high	97.1	Very high	31 Å²	31	48.1 Å²	48.1	19%	0.19	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.7	-173.4	-58.6	0	0	0	0	110.6	Q66 L73 A79	Q66-T71 WeakPolarHBondContact CB-OG1 3.44Å; Q66-T71 PolarHBondContact O-OG1 2.82Å; Q66-T71 PolarHBondContact OE1-OG1 3.5Å; T71-L73 HydrophobicContact CG2-CD2 4.36Å; T71-A79 PolarHBondContact N-O 3.18Å; T71-A79 PolarHBondContact O-N 3.15Å
72	Q	96.5	Very high	97.1	Very high	150 Å²	150	54.3 Å²	54.3	70%	0.701	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.9	169.3	-171.4	170.6	46.2	0	0	109.4
73	L	95.1	Very high	97.1	Very high	23 Å²	23	52.9 Å²	52.9	12%	0.12	28%	0.283	C	S	.	.			trans	-84.7	160.6	178	-56	-172.3	0	0	0	110.7	T71 D75 G76 R77 A79 F109 I111	T71-L73 HydrophobicContact CG2-CD2 4.36Å; L73-D75 WeakPolarHBondContact CB-OD1 3.37Å; L73-D75 PolarHBondContact O-N 3.4Å; L73-G76 PolarHBondContact O-N 3.41Å; L73-R77 PolarHBondContact N-O 3.5Å; L73-A79 HydrophobicContact CD1-CB 4.38Å; L73-A79 HydrophobicContact CD2-CB 4.38Å; L73-A79 HydrophobicContact CG-CB 4.31Å; L73-F109 HydrophobicContact CD1-CD2 3.85Å; L73-F109 HydrophobicContact CD1-CE2 3.56Å; L73-I111 HydrophobicContact CD2-CB 4.14Å; L73-I111 HydrophobicContact CD2-CG2 4.36Å
74	K	93.4	Very high	97.1	Very high	224 Å²	224	52.9 Å²	52.9	97%	0.974	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.2	-178.7	-68.3	-176.7	178.3	179.8	0	113.8	G76	K74-G76 PolarHBondContact O-N 3.23Å
75	D	92.7	Very high	97.1	Very high	91 Å²	91	53.9 Å²	53.9	49%	0.487	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	4	177.3	63.7	9	0	0	0	113.2	L73 R77	L73-D75 WeakPolarHBondContact CB-OD1 3.37Å; L73-D75 PolarHBondContact O-N 3.4Å; D75-R77 WeakPolarHBondContact OD1-CB 3.28Å; D75-R77 PolarHBondContact OD1-N 3.39Å; D75-R77 IonicContact OD1-NE 3.83Å; D75-R77 IonicContact OD2-CZ 3.44Å; D75-R77 IonicContact OD2-NE 2.9Å; D75-R77 PolarHBondContact OD2-NE 2.76Å; D75-R77 IonicContact OD2-NH2 3.87Å; D75-R77 PolarHBondContact OD2-NH2 3.42Å
76	G	94.2	Very high	97.1	Very high	51 Å²	51	52.5 Å²	52.5	53%	0.526	28%	0.284	S	S	.	.	S	Bend	trans	89.2	-7.3	178.2	0	0	0	0	0	114.5	L73 K74	L73-G76 PolarHBondContact O-N 3.41Å; K74-G76 PolarHBondContact O-N 3.23Å
77	R	94.6	Very high	97.1	Very high	80 Å²	80	51.1 Å²	51.1	30%	0.302	28%	0.277	S	S	.	.			trans	-72.1	149	175.3	-64.7	-174.1	-70.2	178.5	-7.9	111.3	L73 D75 F109 D114	L73-R77 PolarHBondContact N-O 3.5Å; D75-R77 WeakPolarHBondContact OD1-CB 3.28Å; D75-R77 PolarHBondContact OD1-N 3.39Å; D75-R77 IonicContact OD1-NE 3.83Å; D75-R77 IonicContact OD2-CZ 3.44Å; D75-R77 IonicContact OD2-NE 2.9Å; D75-R77 PolarHBondContact OD2-NE 2.76Å; D75-R77 IonicContact OD2-NH2 3.87Å; D75-R77 PolarHBondContact OD2-NH2 3.42Å; R77-F109 HydrophobicContact CB-CE2 4.02Å; R77-F109 HydrophobicContact CB-CZ 3.68Å; R77-F109 HydrophobicContact CG-CZ 4.3Å; R77-D114 IonicContact CZ-OD1 3.52Å; R77-D114 IonicContact NH1-OD1 2.81Å; R77-D114 PolarHBondContact NH1-OD1 3.37Å; R77-D114 IonicContact NH2-OD1 2.91Å
78	T	96.5	Very high	97.1	Very high	86 Å²	86	55.9 Å²	55.9	53%	0.528	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.5	170.1	-61.3	0	0	0	0	109.4
79	A	97.4	Very high	97.1	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	105.5	177.2	0	0	0	0	0	108.4	L67 G70 T71 L73 F100 F109 I111	L67-A79 HydrophobicContact CD2-CB 3.49Å; L67-A79 VanDerWaalsContact CD2-CB 3.49Å; G70-A79 WeakPolarHBondContact CA-O 3.22Å; T71-A79 PolarHBondContact N-O 3.18Å; T71-A79 PolarHBondContact O-N 3.15Å; L73-A79 HydrophobicContact CD1-CB 4.38Å; L73-A79 HydrophobicContact CD2-CB 4.38Å; L73-A79 HydrophobicContact CG-CB 4.31Å; A79-F100 HydrophobicContact CB-CZ 4.32Å; A79-F109 HydrophobicContact CB-CD2 4.46Å; A79-F109 HydrophobicContact CB-CE2 3.79Å; A79-I111 HydrophobicContact CB-CG2 4.48Å
80	S	98.4	Very high	97.1	Very high	22 Å²	22	53.6 Å²	53.6	15%	0.154	28%	0.283	C	S	.	.			trans	-150.3	137	-177.7	-169.3	0	0	0	0	113.3	L67 K82 F100	L67-S80 CarbonylContact O-C 3.59Å; L67-S80 VanDerWaalsContact O-CA 3.26Å; L67-S80 WeakPolarHBondContact O-CA 3.46Å; S80-K82 VanDerWaalsContact C-N 3.3Å; S80-K82 WeakPolarHBondContact OG-CB 3.45Å; S80-K82 PolarHBondContact OG-N 2.75Å; S80-F100 WeakPolarHBondContact O-CB 3.31Å; S80-F100 VanDerWaalsContact O-CG 3.27Å; S80-F100 WeakPolarHBondContact O-CG 3.38Å
81	Y	98.8	Very high	97.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.301	C	S	.	.			trans	-77.6	-14.6	169.4	-64.8	-43.7	0	0	0	113.7	F36 F64 L67 G83 S84 F100 S143 F145	F36-Y81 AromaticContact CE1-CD2 3.96Å; F36-Y81 HydrophobicContact CE1-CD2 3.96Å; F36-Y81 AromaticContact CZ-CD2 3.87Å; F36-Y81 HydrophobicContact CZ-CD2 3.87Å; F36-Y81 HydrophobicContact CZ-CE2 4.33Å; F64-Y81 HydrophobicContact CD1-CE2 4.34Å; F64-Y81 AromaticContact CD2-CE2 3.62Å; F64-Y81 HydrophobicContact CD2-CE2 3.62Å; F64-Y81 AromaticContact CD2-CZ 3.75Å; F64-Y81 WeakPolarHBondContact CD2-OH 3.38Å; F64-Y81 HydrophobicContact CE1-CE2 4.25Å; F64-Y81 AromaticContact CE2-CE2 3.49Å; F64-Y81 HydrophobicContact CE2-CE2 3.49Å; F64-Y81 VanDerWaalsContact CE2-CE2 3.49Å; F64-Y81 AromaticContact CE2-CZ 3.67Å; F64-Y81 VanDerWaalsContact CE2-OH 3.3Å; F64-Y81 WeakPolarHBondContact CE2-OH 3.2Å; F64-Y81 HydrophobicContact CG-CE2 4.05Å; F64-Y81 AromaticContact CZ-CE2 3.85Å; F64-Y81 HydrophobicContact CZ-CE2 3.85Å; L67-Y81 HydrophobicContact CB-CD1 4.4Å; L67-Y81 HydrophobicContact CB-CD2 3.8Å; L67-Y81 HydrophobicContact CB-CE1 4.05Å; L67-Y81 HydrophobicContact CB-CE2 3.41Å; L67-Y81 VanDerWaalsContact CB-CE2 3.41Å; L67-Y81 HydrophobicContact CB-CG 4.28Å; L67-Y81 HydrophobicContact CD1-CE1 4.1Å; L67-Y81 HydrophobicContact CD1-CE2 4.34Å; L67-Y81 VanDerWaalsContact CD1-OH 3.25Å; L67-Y81 WeakPolarHBondContact CD1-OH 3.48Å; L67-Y81 HydrophobicContact CG-CE2 4.48Å; L67-Y81 PolarHBondContact O-N 2.84Å; Y81-G83 PolarHBondContact O-N 2.96Å; Y81-S84 VanDerWaalsContact O-CB 3.27Å; Y81-S84 WeakPolarHBondContact O-CB 3.31Å; Y81-S84 PolarHBondContact O-N 2.96Å; Y81-S84 PolarHBondContact O-OG 2.97Å; Y81-F100 HydrophobicContact CD1-CD1 4.3Å; Y81-F100 HydrophobicContact CE1-CD1 4.47Å; Y81-S143 VanDerWaalsContact CE1-O 3.29Å; Y81-S143 WeakPolarHBondContact CE1-O 3.18Å; Y81-S143 PolarHBondContact OH-O 2.87Å; Y81-F145 HydrophobicContact CD1-CE1 4.3Å; Y81-F145 HydrophobicContact CE1-CD1 4.14Å; Y81-F145 HydrophobicContact CE1-CE1 4.07Å; Y81-F145 HydrophobicContact CE2-CE1 4.43Å
82	K	98.6	Very high	97.2	Very high	132 Å²	132	61.7 Å²	61.7	57%	0.574	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	123.9	179.5	-175.2	176.8	179.9	176.6	0	109.8	S80 S84 A193 C195	S80-K82 VanDerWaalsContact C-N 3.3Å; S80-K82 WeakPolarHBondContact OG-CB 3.45Å; S80-K82 PolarHBondContact OG-N 2.75Å; K82-S84 VanDerWaalsContact C-N 3.28Å; K82-A193 WeakPolarHBondContact CE-O 3.09Å; K82-C195 PolarHBondContact N-SG 3.16Å; K82-C195 VanDerWaalsContact N-SG 3.37Å
83	G	98.3	Very high	97.3	Very high	31 Å²	31	56.8 Å²	56.8	32%	0.32	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-8.9	-176.5	0	0	0	0	0	114.7	Y81 H103 I192	Y81-G83 PolarHBondContact O-N 2.96Å; G83-H103 PolarHBondContact O-CE1 2.89Å; G83-I192 PolarHBondContact N-O 2.91Å
84	S	98.7	Very high	97.5	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.007	29%	0.289	C	S	.	.			trans	-71.9	163.7	174.2	75.8	0	0	0	0	112	Y81 K82 K191 I192	Y81-S84 VanDerWaalsContact O-CB 3.27Å; Y81-S84 WeakPolarHBondContact O-CB 3.31Å; Y81-S84 PolarHBondContact O-N 2.96Å; Y81-S84 PolarHBondContact O-OG 2.97Å; K82-S84 VanDerWaalsContact C-N 3.28Å; S84-K191 WeakPolarHBondContact O-CA 3.21Å; S84-K191 WeakPolarHBondContact O-CG 3.06Å; S84-I192 PolarHBondContact O-N 2.98Å
85	T	98.7	Very high	97.7	Very high	20 Å²	20	45.2 Å²	45.2	12%	0.123	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-120.1	154.7	-173.9	51.6	0	0	0	0	112.4	H87 G97 I190 K191	T85-H87 PolarHBondContact O-N 3.31Å; T85-G97 WeakPolarHBondContact O-CA 3.43Å; T85-I190 CarbonylContact C-O 3.56Å; T85-I190 WeakPolarHBondContact CA-O 3.31Å; T85-I190 WeakPolarHBondContact CB-O 3.41Å; T85-K191 HydrophobicContact CG2-CB 4.42Å
86	F	98.8	Very high	98	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.013	23%	0.225	C	C	.	.			trans	-79.1	91.9	160.8	-68.2	-88.9	0	0	0	108.1	I38 R88 V89 I95 Q96 F145 I175 I190 I192	I38-F86 HydrophobicContact CD1-CE2 3.75Å; I38-F86 HydrophobicContact CD1-CZ 4.42Å; F86-R88 VanDerWaalsContact C-N 3.34Å; F86-V89 HydrophobicContact CB-CG2 4.47Å; F86-I95 HydrophobicContact CD1-CB 4.17Å; F86-I95 HydrophobicContact CD1-CD1 4Å; F86-I95 HydrophobicContact CD1-CG1 4.12Å; F86-I95 HydrophobicContact CE1-CD1 3.72Å; F86-I95 HydrophobicContact CE1-CG1 4.05Å; F86-I95 HydrophobicContact CZ-CD1 4.29Å; F86-Q96 CarbonylContact C-O 3.6Å; F86-Q96 WeakPolarHBondContact CA-O 3.39Å; F86-F145 AromaticContact CE1-CE2 3.91Å; F86-F145 HydrophobicContact CE1-CE2 3.91Å; F86-F145 HydrophobicContact CE1-CZ 4.1Å; F86-F145 HydrophobicContact CZ-CE2 4.33Å; F86-F145 HydrophobicContact CZ-CZ 4.24Å; F86-I175 HydrophobicContact CD2-CD1 4.41Å; F86-I175 HydrophobicContact CE2-CD1 4.27Å; F86-I190 HydrophobicContact CB-CB 4.32Å; F86-I190 HydrophobicContact CB-CG2 4.35Å; F86-I190 HydrophobicContact CD2-CG2 3.82Å; F86-I190 HydrophobicContact CG-CG2 4.44Å; F86-I190 PolarHBondContact N-O 3.31Å; F86-I192 HydrophobicContact CE2-CD1 4.18Å; F86-I192 HydrophobicContact CE2-CG1 3.77Å; F86-I192 HydrophobicContact CZ-CD1 4.31Å; F86-I192 HydrophobicContact CZ-CG1 4.34Å
87	H	98.7	Very high	98.2	Very high	16 Å²	16	39.7 Å²	39.7	7%	0.074	20%	0.2	C	C	.	.			trans	-82.6	-12.5	-171.5	59	-92.3	0	0	0	113.3	T85 Q96 H103 G105 Q144	T85-H87 PolarHBondContact O-N 3.31Å; H87-Q96 PolarHBondContact N-O 3.09Å; H87-Q96 VanDerWaalsContact N-O 3.13Å; H87-H103 VanDerWaalsContact CB-O 3.28Å; H87-H103 WeakPolarHBondContact CB-O 3.39Å; H87-G105 VanDerWaalsContact NE2-CA 3.34Å; H87-G105 WeakPolarHBondContact NE2-CA 3.14Å; H87-Q144 PolarHBondContact CE1-OE1 2.87Å; H87-Q144 PolarHBondContact NE2-OE1 2.88Å
88	R	98.8	Very high	98.4	Very high	100 Å²	100	35.9 Å²	35.9	38%	0.377	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	125.9	178.3	-168.2	-174	-174.1	-171.1	2.4	111	F86 M94 Q96 D184	F86-R88 VanDerWaalsContact C-N 3.34Å; R88-M94 HydrophobicContact CG-CE 4.03Å; R88-Q96 HydrophobicContact CB-CB 4.19Å; R88-Q96 PolarHBondContact N-O 3.08Å; R88-Q96 PolarHBondContact O-N 3.33Å; R88-D184 CarbonylContact C-O 3.44Å; R88-D184 WeakPolarHBondContact CA-O 3.41Å; R88-D184 HydrophobicContact CG-CB 3.82Å; R88-D184 IonicContact CZ-OD2 3.83Å; R88-D184 IonicContact NE-OD2 3.31Å; R88-D184 PolarHBondContact NE-OD2 2.76Å; R88-D184 IonicContact NH2-OD2 2.69Å; R88-D184 PolarHBondContact NH2-OD2 2.87Å
89	V	98.8	Very high	98.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	122.9	-178.5	169.6	0	0	0	0	108.9	F86 I95 I175 T180 D184 P186	F86-V89 HydrophobicContact CB-CG2 4.47Å; V89-I95 HydrophobicContact CG1-CG2 4.04Å; V89-I95 HydrophobicContact CG2-CB 4.23Å; V89-I95 HydrophobicContact CG2-CG2 4.04Å; V89-I175 HydrophobicContact CG2-CG2 3.98Å; V89-T180 HydrophobicContact CB-CG2 4.07Å; V89-T180 HydrophobicContact CG1-CG2 4.36Å; V89-D184 PolarHBondContact N-O 3.16Å; V89-P186 HydrophobicContact CB-CG 3.88Å; V89-P186 HydrophobicContact CG2-CG 3.45Å; V89-P186 VanDerWaalsContact CG2-CG 3.45Å
90	I	98.5	Very high	98.6	Very high	34 Å²	34	33 Å²	33	17%	0.174	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	114.7	178.1	-58	173.4	0	0	0	108.4	F93 M94 D184	I90-F93 HydrophobicContact CB-CB 3.98Å; I90-F93 HydrophobicContact CB-CD1 3.91Å; I90-F93 HydrophobicContact CB-CG 4.43Å; I90-F93 HydrophobicContact CD1-CD1 3.73Å; I90-F93 HydrophobicContact CD1-CE1 4.11Å; I90-F93 HydrophobicContact CG1-CD1 4.39Å; I90-F93 HydrophobicContact CG2-CB 3.76Å; I90-F93 HydrophobicContact CG2-CD1 3.94Å; I90-F93 HydrophobicContact CG2-CG 4.37Å; I90-F93 PolarHBondContact O-N 3.44Å; I90-F93 VanDerWaalsContact O-N 3.11Å; I90-M94 HydrophobicContact CB-CE 4.25Å; I90-M94 HydrophobicContact CD1-CE 3.71Å; I90-M94 HydrophobicContact CG1-CE 3.85Å; I90-M94 PolarHBondContact N-O 2.99Å; I90-M94 PolarHBondContact O-N 3.31Å; I90-M94 VanDerWaalsContact O-N 3.09Å; I90-D184 HydrophobicContact CD1-CB 4.36Å; I90-D184 WeakPolarHBondContact CD1-OD2 3.45Å; I90-D184 HydrophobicContact CG1-CB 3.74Å
91	K	98.1	Very high	98.6	Very high	153 Å²	153	34.8 Å²	34.8	67%	0.665	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	137.4	178.2	-172.4	172.3	-177.3	173.9	0	111.1	F93 E176	K91-F93 PolarHBondContact O-N 3Å; K91-E176 HydrophobicContact CB-CG 4.45Å; K91-E176 HydrophobicContact CG-CG 4.32Å
92	S	97.8	Very high	98.5	Very high	78 Å²	78	39 Å²	39	55%	0.545	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	32.1	-174.9	-55.3	0	0	0	0	113.3	V150 E176	S92-V150 WeakPolarHBondContact O-CG2 3.47Å; S92-E176 WeakPolarHBondContact CA-OE1 3.34Å; S92-E176 PolarHBondContact N-OE1 2.85Å
93	F	98.4	Very high	98.5	Very high	46 Å²	46	35.8 Å²	35.8	20%	0.202	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	-75.1	173.5	-179.5	-156.3	0	0	0	111.6	I90 K91 T149 T152 W154 L155	I90-F93 HydrophobicContact CB-CB 3.98Å; I90-F93 HydrophobicContact CB-CD1 3.91Å; I90-F93 HydrophobicContact CB-CG 4.43Å; I90-F93 HydrophobicContact CD1-CD1 3.73Å; I90-F93 HydrophobicContact CD1-CE1 4.11Å; I90-F93 HydrophobicContact CG1-CD1 4.39Å; I90-F93 HydrophobicContact CG2-CB 3.76Å; I90-F93 HydrophobicContact CG2-CD1 3.94Å; I90-F93 HydrophobicContact CG2-CG 4.37Å; I90-F93 PolarHBondContact O-N 3.44Å; I90-F93 VanDerWaalsContact O-N 3.11Å; K91-F93 PolarHBondContact O-N 3Å; F93-T149 VanDerWaalsContact C-OG1 3.25Å; F93-T149 PolarHBondContact N-OG1 2.89Å; F93-T149 VanDerWaalsContact N-OG1 3.11Å; F93-T149 PolarHBondContact O-N 3.06Å; F93-T149 PolarHBondContact O-OG1 2.87Å; F93-T152 HydrophobicContact CD2-CG2 3.54Å; F93-T152 HydrophobicContact CE2-CG2 3.71Å; F93-W154 AromaticContact CD2-CZ2 3.69Å; F93-W154 HydrophobicContact CD2-CZ2 3.69Å; F93-W154 AromaticContact CE2-CE2 3.98Å; F93-W154 AromaticContact CE2-CZ2 3.68Å; F93-W154 HydrophobicContact CE2-CZ2 3.68Å; F93-W154 AromaticContact CE2-NE1 3.69Å; F93-L155 HydrophobicContact CE2-CD1 3.9Å; F93-L155 HydrophobicContact CZ-CD1 4.16Å
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	-166.8	163.5	-172.8	63.8	83.4	-150	0	0	113	R88 I90 Q96 F146 I147	R88-M94 HydrophobicContact CG-CE 4.03Å; I90-M94 HydrophobicContact CB-CE 4.25Å; I90-M94 HydrophobicContact CD1-CE 3.71Å; I90-M94 HydrophobicContact CG1-CE 3.85Å; I90-M94 PolarHBondContact N-O 2.99Å; I90-M94 PolarHBondContact O-N 3.31Å; I90-M94 VanDerWaalsContact O-N 3.09Å; M94-Q96 HydrophobicContact CE-CB 4.05Å; M94-Q96 HydrophobicContact SD-CB 3.5Å; M94-Q96 VanDerWaalsContact SD-CB 3.5Å; M94-F146 HydrophobicContact CB-CB 4.25Å; M94-F146 HydrophobicContact CB-CD2 4.07Å; M94-F146 HydrophobicContact CG-CB 4.34Å; M94-F146 HydrophobicContact CG-CD2 4.47Å; M94-F146 HydrophobicContact SD-CB 3.86Å; M94-I147 CarbonylContact C-O 3.57Å; M94-I147 VanDerWaalsContact CA-O 3.26Å; M94-I147 WeakPolarHBondContact CA-O 3.49Å; M94-I147 WeakPolarHBondContact CB-O 3.25Å
95	I	98.8	Very high	98.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.9	163.4	64.7	170	0	0	0	108.8	F86 V89 F146 I147 T149 V172 I175 E176	F86-I95 HydrophobicContact CD1-CB 4.17Å; F86-I95 HydrophobicContact CD1-CD1 4Å; F86-I95 HydrophobicContact CD1-CG1 4.12Å; F86-I95 HydrophobicContact CE1-CD1 3.72Å; F86-I95 HydrophobicContact CE1-CG1 4.05Å; F86-I95 HydrophobicContact CZ-CD1 4.29Å; V89-I95 HydrophobicContact CG1-CG2 4.04Å; V89-I95 HydrophobicContact CG2-CB 4.23Å; V89-I95 HydrophobicContact CG2-CG2 4.04Å; I95-F146 CarbonylContact O-C 3.41Å; I95-F146 WeakPolarHBondContact O-CA 3.5Å; I95-F146 WeakPolarHBondContact O-CB 3.2Å; 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 2.93Å; I95-I147 PolarHBondContact O-N 2.92Å; I95-T149 HydrophobicContact CG2-CG2 4.42Å; I95-V172 HydrophobicContact CD1-CB 4.29Å; I95-V172 HydrophobicContact CD1-CG1 3.77Å; I95-V172 HydrophobicContact CD1-CG2 4.24Å; I95-V172 HydrophobicContact CG1-CG1 4.2Å; I95-I175 HydrophobicContact CB-CG2 4.13Å; I95-I175 HydrophobicContact CD1-CB 4.23Å; I95-I175 HydrophobicContact CD1-CD1 4Å; I95-I175 HydrophobicContact CD1-CG2 3.89Å; I95-I175 HydrophobicContact CG2-CB 4.43Å; I95-I175 HydrophobicContact CG2-CG2 3.73Å; I95-E176 HydrophobicContact CG2-CB 4.22Å
96	Q	98.9	Very high	98.4	Very high	26 Å²	26	43.6 Å²	43.6	12%	0.121	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.6	-175.8	170.1	178.5	-3.1	0	0	111.2	F86 H87 R88 M94 F145 F146	F86-Q96 CarbonylContact C-O 3.6Å; F86-Q96 WeakPolarHBondContact CA-O 3.39Å; H87-Q96 PolarHBondContact N-O 3.09Å; H87-Q96 VanDerWaalsContact N-O 3.13Å; R88-Q96 HydrophobicContact CB-CB 4.19Å; R88-Q96 PolarHBondContact N-O 3.08Å; R88-Q96 PolarHBondContact O-N 3.33Å; M94-Q96 HydrophobicContact CE-CB 4.05Å; M94-Q96 HydrophobicContact SD-CB 3.5Å; M94-Q96 VanDerWaalsContact SD-CB 3.5Å; Q96-F145 WeakPolarHBondContact CA-O 3.5Å; Q96-F146 HydrophobicContact CB-CB 4.09Å
97	G	98.8	Very high	98.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	-162.3	-179.8	0	0	0	0	0	111.9	T85 Q144 F145	T85-G97 WeakPolarHBondContact O-CA 3.43Å; G97-Q144 VanDerWaalsContact O-CA 3.28Å; G97-Q144 WeakPolarHBondContact O-CA 3.43Å; G97-F145 PolarHBondContact N-O 2.76Å; G97-F145 PolarHBondContact O-N 3.01Å
98	G	98.6	Very high	98.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.			trans	89.4	1.1	173.5	0	0	0	0	0	115.8	F100 S143	G98-F100 WeakPolarHBondContact O-CD1 3.29Å; G98-F100 PolarHBondContact O-N 3.26Å; G98-S143 WeakPolarHBondContact O-CB 3.24Å; G98-S143 PolarHBondContact O-OG 3.14Å
99	D	98.6	Very high	98.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.228	C	C	.	.			trans	-81.4	96.3	162.2	-179	0.3	0	0	0	108.6	T101 N102 H103 D104 G105 T106 G107 G108 Q144	D99-T101 PolarHBondContact OD1-N 3.43Å; D99-T101 PolarHBondContact OD1-OG1 3.34Å; D99-N102 PolarHBondContact OD1-N 2.83Å; D99-H103 VanDerWaalsContact CG-N 3.31Å; D99-H103 WeakPolarHBondContact O-CA 3.4Å; D99-H103 PolarHBondContact OD1-N 2.94Å; D99-H103 PolarHBondContact OD2-N 2.94Å; D99-D104 PolarHBondContact OD2-N 2.87Å; D99-D104 VanDerWaalsContact OD2-N 3.17Å; D99-G105 PolarHBondContact OD2-N 2.9Å; D99-T106 PolarHBondContact OD2-N 3.39Å; D99-G107 VanDerWaalsContact OD1-C 3.29Å; D99-G107 WeakPolarHBondContact OD1-CA 3.45Å; D99-G107 PolarHBondContact OD2-N 3.24Å; D99-G108 PolarHBondContact OD1-N 2.7Å; D99-Q144 HydrophobicContact CB-CG 3.99Å
100	F	98.3	Very high	98.2	Very high	27 Å²	27	40.4 Å²	40.4	12%	0.118	23%	0.228	C	C	.	.			trans	-93.6	5.3	179.5	59	-102.4	0	0	0	113.1	L67 A79 S80 Y81 G98 F109 S143	L67-F100 HydrophobicContact CD2-CD1 4.29Å; L67-F100 HydrophobicContact CD2-CE1 3.46Å; L67-F100 VanDerWaalsContact CD2-CE1 3.46Å; L67-F100 HydrophobicContact CD2-CZ 3.98Å; A79-F100 HydrophobicContact CB-CZ 4.32Å; S80-F100 WeakPolarHBondContact O-CB 3.31Å; S80-F100 VanDerWaalsContact O-CG 3.27Å; S80-F100 WeakPolarHBondContact O-CG 3.38Å; Y81-F100 HydrophobicContact CD1-CD1 4.3Å; Y81-F100 HydrophobicContact CE1-CD1 4.47Å; G98-F100 WeakPolarHBondContact O-CD1 3.29Å; G98-F100 PolarHBondContact O-N 3.26Å; F100-F109 AromaticContact CE2-CD1 3.92Å; F100-F109 HydrophobicContact CE2-CD1 3.92Å; F100-F109 AromaticContact CE2-CE1 3.37Å; F100-F109 HydrophobicContact CE2-CE1 3.37Å; F100-F109 HydrophobicContact CE2-CE2 4.06Å; F100-F109 HydrophobicContact CE2-CG 4.47Å; F100-F109 AromaticContact CE2-CZ 3.44Å; F100-F109 HydrophobicContact CE2-CZ 3.44Å; F100-F109 VanDerWaalsContact CE2-CZ 3.44Å; F100-F109 AromaticContact CZ-CD1 3.89Å; F100-F109 HydrophobicContact CZ-CD1 3.89Å; F100-F109 HydrophobicContact CZ-CD2 4.02Å; F100-F109 AromaticContact CZ-CE1 3.75Å; F100-F109 HydrophobicContact CZ-CE1 3.75Å; F100-F109 AromaticContact CZ-CE2 3.86Å; F100-F109 HydrophobicContact CZ-CE2 3.86Å; F100-F109 HydrophobicContact CZ-CG 4.01Å; F100-F109 AromaticContact CZ-CZ 3.72Å; F100-F109 HydrophobicContact CZ-CZ 3.72Å; F100-S143 VanDerWaalsContact CE1-OG 3.29Å; F100-S143 WeakPolarHBondContact CE1-OG 3.44Å
101	T	97.9	Very high	98.2	Very high	58 Å²	58	40.4 Å²	40.4	36%	0.356	23%	0.228	S	C	.	.	S	Bend	trans	-107.3	-51.5	-178.7	54.6	0	0	0	0	112	D99 G107 G108 F109	D99-T101 PolarHBondContact OD1-N 3.43Å; D99-T101 PolarHBondContact OD1-OG1 3.34Å; T101-G107 WeakPolarHBondContact OG1-CA 3.26Å; T101-G108 PolarHBondContact OG1-N 3.02Å; T101-F109 HydrophobicContact CG2-CD1 3.99Å; T101-F109 HydrophobicContact CG2-CE1 3.7Å
102	N	98.1	Very high	98.2	Very high	88 Å²	88	38.1 Å²	38.1	47%	0.471	22%	0.216	S	C	.	.	S	Bend	trans	-111.4	-17.1	-175.6	-62.8	-14.7	0	0	0	112.1	D99 D104 T106	D99-N102 PolarHBondContact OD1-N 2.83Å; N102-D104 VanDerWaalsContact CB-OD1 3.31Å; N102-D104 WeakPolarHBondContact CB-OD1 3.48Å; N102-D104 PolarHBondContact O-N 2.81Å; N102-T106 PolarHBondContact ND2-OG1 3.38Å
103	H	97.9	Very high	98.1	Very high	66 Å²	66	35.4 Å²	35.4	31%	0.306	20%	0.2	S	C	.	.	S	Bend	trans	59.3	24	178.6	-58.4	-99.1	0	0	0	114.3	G83 H87 D99	G83-H103 PolarHBondContact O-CE1 2.89Å; H87-H103 VanDerWaalsContact CB-O 3.28Å; H87-H103 WeakPolarHBondContact CB-O 3.39Å; D99-H103 VanDerWaalsContact CG-N 3.31Å; D99-H103 WeakPolarHBondContact O-CA 3.4Å; D99-H103 PolarHBondContact OD1-N 2.94Å; D99-H103 PolarHBondContact OD2-N 2.94Å
104	D	98.1	Very high	98	Very high	86 Å²	86	38.3 Å²	38.3	46%	0.46	22%	0.218	S	C	.	.	S	Bend	trans	-136.3	0.6	-174.1	68	6.2	0	0	0	113.8	D99 N102 T106	D99-D104 PolarHBondContact OD2-N 2.87Å; D99-D104 VanDerWaalsContact OD2-N 3.17Å; N102-D104 VanDerWaalsContact CB-OD1 3.31Å; N102-D104 WeakPolarHBondContact CB-OD1 3.48Å; N102-D104 PolarHBondContact O-N 2.81Å; D104-T106 VanDerWaalsContact OD1-CB 3.32Å; D104-T106 WeakPolarHBondContact OD1-CB 3.3Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.2Å; D104-T106 PolarHBondContact OD1-N 2.91Å; D104-T106 PolarHBondContact OD1-OG1 2.84Å
105	G	97.9	Very high	97.9	Very high	27 Å²	27	46.1 Å²	46.1	28%	0.278	25%	0.247	S	C	.	.	S	Bend	trans	93.5	-0.6	178.5	0	0	0	0	0	113.7	H87 D99 Q144	H87-G105 VanDerWaalsContact NE2-CA 3.34Å; H87-G105 WeakPolarHBondContact NE2-CA 3.14Å; D99-G105 PolarHBondContact OD2-N 2.9Å; G105-Q144 PolarHBondContact O-NE2 3.48Å
106	T	97.8	Very high	97.9	Very high	103 Å²	103	46.8 Å²	46.8	63%	0.632	25%	0.25	S	C	*	.	S	Bend	trans	-91.4	-11.8	177	66.6	0	0	0	0	113.4	D99 N102 D104	D99-T106 PolarHBondContact OD2-N 3.39Å; N102-T106 PolarHBondContact ND2-OG1 3.38Å; D104-T106 VanDerWaalsContact OD1-CB 3.32Å; D104-T106 WeakPolarHBondContact OD1-CB 3.3Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.2Å; D104-T106 PolarHBondContact OD1-N 2.91Å; D104-T106 PolarHBondContact OD1-OG1 2.84Å
107	G	97.5	Very high	97.9	Very high	15 Å²	15	49.6 Å²	49.6	16%	0.155	27%	0.27	C	S	.	.			trans	-117.5	-162.2	-173.8	0	0	0	0	0	115	D99 T101 Q144	D99-G107 VanDerWaalsContact OD1-C 3.29Å; D99-G107 WeakPolarHBondContact OD1-CA 3.45Å; D99-G107 PolarHBondContact OD2-N 3.24Å; T101-G107 WeakPolarHBondContact OG1-CA 3.26Å; G107-Q144 PolarHBondContact O-NE2 2.88Å
108	G	98	Very high	97.9	Very high	20 Å²	20	50.9 Å²	50.9	21%	0.206	28%	0.277	C	S	.	.			trans	93.5	151.9	-176.4	0	0	0	0	0	112.6	D99 T101 S143	D99-G108 PolarHBondContact OD1-N 2.7Å; T101-G108 PolarHBondContact OG1-N 3.02Å; G108-S143 WeakPolarHBondContact CA-OG 3.3Å
109	F	98.1	Very high	97.9	Very high	17 Å²	17	53.2 Å²	53.2	8%	0.075	29%	0.288	C	S	.	.			trans	-148.4	154.6	176.4	53.7	-94.4	0	0	0	110	L73 R77 A79 F100 T101 S143	L73-F109 HydrophobicContact CD1-CD2 3.85Å; L73-F109 HydrophobicContact CD1-CE2 3.56Å; R77-F109 HydrophobicContact CB-CE2 4.02Å; R77-F109 HydrophobicContact CB-CZ 3.68Å; R77-F109 HydrophobicContact CG-CZ 4.3Å; A79-F109 HydrophobicContact CB-CD2 4.46Å; A79-F109 HydrophobicContact CB-CE2 3.79Å; F100-F109 AromaticContact CE2-CD1 3.92Å; F100-F109 HydrophobicContact CE2-CD1 3.92Å; F100-F109 AromaticContact CE2-CE1 3.37Å; F100-F109 HydrophobicContact CE2-CE1 3.37Å; F100-F109 HydrophobicContact CE2-CE2 4.06Å; F100-F109 HydrophobicContact CE2-CG 4.47Å; F100-F109 AromaticContact CE2-CZ 3.44Å; F100-F109 HydrophobicContact CE2-CZ 3.44Å; F100-F109 VanDerWaalsContact CE2-CZ 3.44Å; F100-F109 AromaticContact CZ-CD1 3.89Å; F100-F109 HydrophobicContact CZ-CD1 3.89Å; F100-F109 HydrophobicContact CZ-CD2 4.02Å; F100-F109 AromaticContact CZ-CE1 3.75Å; F100-F109 HydrophobicContact CZ-CE1 3.75Å; F100-F109 AromaticContact CZ-CE2 3.86Å; F100-F109 HydrophobicContact CZ-CE2 3.86Å; F100-F109 HydrophobicContact CZ-CG 4.01Å; F100-F109 AromaticContact CZ-CZ 3.72Å; F100-F109 HydrophobicContact CZ-CZ 3.72Å; T101-F109 HydrophobicContact CG2-CD1 3.99Å; T101-F109 HydrophobicContact CG2-CE1 3.7Å; F109-S143 PolarHBondContact N-OG 3.19Å; F109-S143 WeakPolarHBondContact O-CB 3.35Å
110	S	98.2	Very high	97.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-83.8	167.5	177.2	78.7	0	0	0	0	111.4	N63 Y112 G113	N63-S110 VanDerWaalsContact OD1-CA 3.25Å; N63-S110 WeakPolarHBondContact OD1-CA 3.01Å; N63-S110 VanDerWaalsContact OD1-CB 3.25Å; N63-S110 WeakPolarHBondContact OD1-CB 3.35Å; S110-Y112 PolarHBondContact O-N 3.32Å; S110-Y112 VanDerWaalsContact O-N 3.14Å; S110-Y112 WeakPolarHBondContact OG-CB 3.33Å; S110-Y112 PolarHBondContact OG-N 3.11Å; S110-G113 CarbonylContact C-O 3.58Å; S110-G113 WeakPolarHBondContact CA-O 3.46Å; S110-G113 WeakPolarHBondContact CB-O 3.41Å; S110-G113 PolarHBondContact N-O 3.13Å; S110-G113 PolarHBondContact O-N 2.9Å; S110-G113 VanDerWaalsContact O-O 3.1Å; S110-G113 PolarHBondContact OG-N 2.84Å; S110-G113 PolarHBondContact OG-O 3.38Å
111	I	98.1	Very high	97.9	Very high	35 Å²	35	57.2 Å²	57.2	18%	0.179	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.3	169.9	69.4	172.8	0	0	0	113.4	E62 N63 Q66 L67 L73 A79	E62-I111 HydrophobicContact CG-CD1 4.15Å; N63-I111 HydrophobicContact CB-CG1 4.26Å; N63-I111 PolarHBondContact OD1-N 3.21Å; Q66-I111 HydrophobicContact CB-CD1 4Å; Q66-I111 HydrophobicContact CB-CG2 3.67Å; Q66-I111 HydrophobicContact CG-CD1 3.78Å; L67-I111 HydrophobicContact CG-CG2 4.39Å; L73-I111 HydrophobicContact CD2-CB 4.14Å; L73-I111 HydrophobicContact CD2-CG2 4.36Å; A79-I111 HydrophobicContact CB-CG2 4.48Å
112	Y	97.2	Very high	97.9	Very high	105 Å²	105	62 Å²	62	41%	0.412	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-2.7	-179	-49.5	-56.2	0	0	0	113.1	K59 E62 N63 S110 F116	K59-Y112 HydrophobicContact CB-CE2 4.36Å; K59-Y112 PolarHBondContact O-OH 3.45Å; E62-Y112 WeakPolarHBondContact CB-OH 3.48Å; N63-Y112 HydrophobicContact CB-CD2 4.44Å; N63-Y112 HydrophobicContact CB-CE2 3.76Å; S110-Y112 PolarHBondContact O-N 3.32Å; S110-Y112 VanDerWaalsContact O-N 3.14Å; S110-Y112 WeakPolarHBondContact OG-CB 3.33Å; S110-Y112 PolarHBondContact OG-N 3.11Å; Y112-F116 HydrophobicContact CD2-CB 4.03Å; Y112-F116 HydrophobicContact CD2-CD1 4.2Å; Y112-F116 HydrophobicContact CD2-CG 4.01Å
113	G	96.3	Very high	97.9	Very high	21 Å²	21	59 Å²	59	22%	0.216	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	123.7	-169.2	-170.3	0	0	0	0	0	111.5	S110 R115	S110-G113 CarbonylContact C-O 3.58Å; S110-G113 WeakPolarHBondContact CA-O 3.46Å; S110-G113 WeakPolarHBondContact CB-O 3.41Å; S110-G113 PolarHBondContact N-O 3.13Å; S110-G113 PolarHBondContact O-N 2.9Å; S110-G113 VanDerWaalsContact O-O 3.1Å; S110-G113 PolarHBondContact OG-N 2.84Å; S110-G113 PolarHBondContact OG-O 3.38Å; G113-R115 VanDerWaalsContact C-N 3.26Å; G113-R115 PolarHBondContact O-N 3.25Å
114	D	96	Very high	97.9	Very high	106 Å²	106	63.2 Å²	63.2	57%	0.567	32%	0.32	S	S	*	.	S	Bend	trans	-65.3	-30.9	-172.6	-59.4	-21.8	0	0	0	112.7	R77	R77-D114 IonicContact CZ-OD1 3.52Å; R77-D114 IonicContact NH1-OD1 2.81Å; R77-D114 PolarHBondContact NH1-OD1 3.37Å; R77-D114 IonicContact NH2-OD1 2.91Å
115	R	97.3	Very high	97.9	Very high	169 Å²	169	59.1 Å²	59.1	64%	0.638	30%	0.298	S	S	*	.			trans	-142.4	154.1	177.4	-66.2	175.9	-179.9	148.9	4.5	112.3	G113 N141	G113-R115 VanDerWaalsContact C-N 3.26Å; G113-R115 PolarHBondContact O-N 3.25Å; R115-N141 CarbonylContact C-O 3.53Å; R115-N141 WeakPolarHBondContact CA-O 3.49Å
116	F	98.6	Very high	97.9	Very high	13 Å²	13	59.6 Å²	59.6	6%	0.057	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-136.7	152.8	167.6	71.1	-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 4.28Å; Y112-F116 HydrophobicContact CD2-CB 4.03Å; Y112-F116 HydrophobicContact CD2-CD1 4.2Å; Y112-F116 HydrophobicContact CD2-CG 4.01Å; F116-M133 HydrophobicContact CE1-CE 4.03Å; F116-M133 HydrophobicContact CZ-CE 4.01Å; F116-M133 HydrophobicContact CZ-SD 4.46Å; F116-D139 CarbonylContact O-C 3.56Å; F116-N141 HydrophobicContact CD1-CB 3.71Å; F116-N141 WeakPolarHBondContact CD1-O 3.43Å; F116-N141 HydrophobicContact CD2-CB 4.07Å; F116-N141 HydrophobicContact CE1-CB 3.35Å; F116-N141 HydrophobicContact CE2-CB 3.74Å; F116-N141 HydrophobicContact CG-CB 4.07Å; F116-N141 HydrophobicContact CZ-CB 3.37Å; F116-N141 PolarHBondContact N-O 3.36Å; F116-N141 WeakPolarHBondContact O-CB 3.19Å; F116-N141 PolarHBondContact O-N 3.13Å; F116-N141 PolarHBondContact O-ND2 2.94Å; F116-N141 VanDerWaalsContact O-ND2 3.15Å; F116-G142 WeakPolarHBondContact CE1-O 3.32Å
117	P	98.6	Very high	97.9	Very high	85 Å²	85	54.7 Å²	54.7	55%	0.552	27%	0.266	S	S	*	.			trans	-62.4	158.3	-177.7	-24.7	35.6	0	0	0	114.7	E119 D139 N141	P117-E119 PolarHBondContact O-N 2.81Å; P117-D139 VanDerWaalsContact CA-OD1 3.28Å; P117-D139 WeakPolarHBondContact CA-OD1 3.43Å; P117-D139 HydrophobicContact CB-CB 4.34Å; P117-D139 WeakPolarHBondContact CB-OD1 3.49Å; P117-N141 PolarHBondContact O-ND2 3.29Å
118	D	98.7	Very high	97.9	Very high	27 Å²	27	54 Å²	54	14%	0.144	26%	0.258	C	S	.	.			trans	-65.4	111.4	170.3	-66.6	-46.7	0	0	0	109.7	N120 F121 P138 D139 N141 V160	D118-N120 PolarHBondContact O-N 3.31Å; D118-F121 HydrophobicContact CB-CE1 4.26Å; D118-F121 HydrophobicContact CB-CE2 4.05Å; D118-F121 HydrophobicContact CB-CZ 3.56Å; D118-P138 WeakPolarHBondContact OD2-CA 3.06Å; D118-D139 PolarHBondContact N-OD1 2.79Å; D118-D139 PolarHBondContact OD2-N 2.81Å; D118-N141 PolarHBondContact N-ND2 2.89Å; D118-N141 PolarHBondContact OD1-ND2 2.99Å; D118-N141 PolarHBondContact OD1-OD1 2.79Å; D118-V160 HydrophobicContact CB-CG2 3.94Å
119	E	98.6	Very high	98	Very high	49 Å²	49	53 Å²	53	23%	0.229	25%	0.248	C	C	.	.			trans	-67.3	-42	-171.3	-176.2	170.4	-164.6	0	0	113.2	V57 P58 K59 T60 P117	V57-E119 VanDerWaalsContact C-CD 3.47Å; V57-E119 VanDerWaalsContact CA-CD 3.46Å; V57-E119 WeakPolarHBondContact CA-OE2 3.35Å; V57-E119 VanDerWaalsContact CB-OE2 3.31Å; V57-E119 WeakPolarHBondContact CB-OE2 3.45Å; V57-E119 HydrophobicContact CG1-CB 4.36Å; V57-E119 HydrophobicContact CG1-CG 4.32Å; P58-E119 WeakPolarHBondContact CD-OE1 3.34Å; P58-E119 VanDerWaalsContact CG-OE1 3.31Å; P58-E119 WeakPolarHBondContact CG-OE1 3.43Å; P58-E119 VanDerWaalsContact N-OE1 3.15Å; K59-E119 PolarHBondContact N-OE1 2.83Å; K59-E119 PolarHBondContact N-OE2 3.43Å; K59-E119 VanDerWaalsContact N-OE2 3.16Å; T60-E119 WeakPolarHBondContact CB-OE2 3.49Å; T60-E119 PolarHBondContact N-OE2 3.26Å; T60-E119 PolarHBondContact OG1-OE2 3.47Å; P117-E119 PolarHBondContact O-N 2.81Å
120	N	98.6	Very high	98	Very high	34 Å²	34	52.2 Å²	52.2	18%	0.182	25%	0.245	C	C	.	.			trans	-177.1	171.1	165.7	59.1	86.1	0	0	0	110.4	T56 V57 D118 K122	T56-N120 PolarHBondContact O-ND2 3.39Å; V57-N120 WeakPolarHBondContact CG1-ND2 3.41Å; D118-N120 PolarHBondContact O-N 3.31Å; N120-K122 HydrophobicContact CB-CG 4.33Å; N120-K122 WeakPolarHBondContact OD1-CB 3.43Å; N120-K122 VanDerWaalsContact OD1-CG 3.29Å; N120-K122 WeakPolarHBondContact OD1-CG 3.44Å; N120-K122 PolarHBondContact OD1-N 3.33Å; N120-K122 VanDerWaalsContact OD1-N 3.15Å
121	F	98.5	Very high	98	Very high	78 Å²	78	52.2 Å²	52.2	34%	0.342	25%	0.245	S	C	.	.			trans	-118.5	39	175	-55.4	-70.8	0	0	0	112.6	D118 L123 V160	D118-F121 HydrophobicContact CB-CE1 4.26Å; D118-F121 HydrophobicContact CB-CE2 4.05Å; D118-F121 HydrophobicContact CB-CZ 3.56Å; F121-L123 PolarHBondContact O-N 2.92Å; F121-V160 HydrophobicContact CD1-CG2 4.45Å; F121-V160 HydrophobicContact CE1-CG2 3.99Å
122	K	98.2	Very high	98.1	Very high	158 Å²	158	50.6 Å²	50.6	69%	0.687	24%	0.236	S	C	*	.			trans	-66	-28.2	178.8	-70.2	173.3	-178.6	171.7	0	112.7	T56 N120	T56-K122 HydrophobicContact CG2-CB 4.1Å; T56-K122 HydrophobicContact CG2-CD 4.18Å; N120-K122 HydrophobicContact CB-CG 4.33Å; N120-K122 WeakPolarHBondContact OD1-CB 3.43Å; N120-K122 VanDerWaalsContact OD1-CG 3.29Å; N120-K122 WeakPolarHBondContact OD1-CG 3.44Å; N120-K122 PolarHBondContact OD1-N 3.33Å; N120-K122 VanDerWaalsContact OD1-N 3.15Å
123	L	98	Very high	98.1	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.136	22%	0.217	C	C	.	.	S	Bend	trans	-102.4	155.1	179.7	-61	178.5	0	0	0	110.6	P28 F53 T56 F121 V161	P28-L123 HydrophobicContact CB-CD1 4.13Å; P28-L123 HydrophobicContact CB-CD2 3.99Å; P28-L123 HydrophobicContact CG-CD1 4.25Å; P28-L123 HydrophobicContact CG-CD2 4.03Å; F53-L123 HydrophobicContact CB-CD1 4.17Å; F53-L123 HydrophobicContact CD2-CD1 3.25Å; F53-L123 HydrophobicContact CE2-CD1 3.86Å; F53-L123 HydrophobicContact CG-CD1 3.98Å; T56-L123 HydrophobicContact CG2-CD1 3.94Å; T56-L123 HydrophobicContact CG2-CD2 4.42Å; T56-L123 HydrophobicContact CG2-CG 3.9Å; F121-L123 PolarHBondContact O-N 2.92Å; L123-V161 HydrophobicContact CB-CB 3.76Å; L123-V161 HydrophobicContact CB-CG1 3.83Å; L123-V161 HydrophobicContact CD1-CG1 4.44Å
124	R	98.1	Very high	98.2	Very high	154 Å²	154	45 Å²	45	58%	0.581	21%	0.21	S	C	*	.			trans	-129.2	159	-174.7	-68.4	-174.1	-64.1	-179.7	-0.3	110.5	V126 D156	R124-V126 HydrophobicContact CB-CG1 3.81Å; R124-V126 PolarHBondContact O-N 3.49Å; R124-D156 WeakPolarHBondContact CA-OD1 3.29Å; R124-D156 WeakPolarHBondContact CB-OD1 3.39Å; R124-D156 WeakPolarHBondContact CB-OD2 3.41Å; R124-D156 WeakPolarHBondContact CD-OD2 3.23Å; R124-D156 HydrophobicContact CG-CB 4.28Å
125	H	98.3	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.193	C	C	.	.			trans	-82.9	68.9	178.7	-51.5	81.3	0	0	0	110.1	G127 S132 F146 T148 K151 T152 L155 D156 V161	H125-G127 VanDerWaalsContact C-N 3.3Å; H125-G127 PolarHBondContact O-N 3.45Å; H125-S132 VanDerWaalsContact NE2-CB 3.31Å; H125-S132 WeakPolarHBondContact NE2-CB 3.42Å; H125-S132 PolarHBondContact NE2-OG 3.42Å; H125-F146 AromaticContact CD2-CE2 3.78Å; H125-F146 AromaticContact CD2-CZ 3.96Å; H125-F146 AromaticContact NE2-CE2 3.83Å; H125-F146 AromaticContact NE2-CZ 3.49Å; H125-F146 WeakPolarHBondContact NE2-CZ 3.44Å; H125-T148 HydrophobicContact CB-CG2 4.42Å; H125-K151 VanDerWaalsContact O-CG 3.32Å; H125-K151 WeakPolarHBondContact O-CG 3.4Å; H125-T152 WeakPolarHBondContact CB-OG1 3.08Å; H125-T152 PolarHBondContact O-N 2.94Å; H125-L155 PolarHBondContact CE1-O 3.38Å; H125-D156 IonicContact CE1-OD1 2.76Å; H125-D156 IonicContact CG-OD1 2.71Å; H125-D156 PolarHBondContact N-OD1 3.03Å; H125-D156 IonicContact ND1-OD1 3.2Å; H125-D156 PolarHBondContact ND1-OD1 2.93Å; H125-V161 WeakPolarHBondContact CE1-CG2 3.42Å; H125-V161 VanDerWaalsContact NE2-CG2 3.33Å; H125-V161 WeakPolarHBondContact NE2-CG2 3.28Å
126	V	96.9	Very high	98.3	Very high	36 Å²	36	38.1 Å²	38.1	22%	0.218	20%	0.199	C	C	.	.			trans	-77.6	-10.2	-165.5	-61.4	0	0	0	0	114.9	R124 W130 N208	R124-V126 HydrophobicContact CB-CG1 3.81Å; R124-V126 PolarHBondContact O-N 3.49Å; V126-W130 HydrophobicContact CG2-CD2 4.14Å; V126-W130 HydrophobicContact CG2-CH2 4.13Å; V126-W130 HydrophobicContact CG2-CZ2 3.29Å; V126-W130 VanDerWaalsContact CG2-NE1 3.35Å; V126-N208 HydrophobicContact CG2-CB 4.36Å
127	G	97.7	Very high	98.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-177.3	-167.9	-176.8	0	0	0	0	0	112.3	H125 W130 T148 D210	H125-G127 VanDerWaalsContact C-N 3.3Å; H125-G127 PolarHBondContact O-N 3.45Å; G127-W130 VanDerWaalsContact O-CD1 3.23Å; G127-T148 PolarHBondContact O-OG1 3.08Å; G127-D210 WeakPolarHBondContact CA-OD1 3.43Å
128	A	98.5	Very high	98.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	149.2	175	0	0	0	0	0	112.5	W130 T149 M169 D210 A211	A128-W130 VanDerWaalsContact C-N 3.34Å; A128-T149 VanDerWaalsContact CB-O 3.29Å; A128-T149 WeakPolarHBondContact CB-O 3.39Å; A128-M169 HydrophobicContact CB-CE 3.95Å; A128-D210 HydrophobicContact CB-CB 4.16Å; A128-D210 PolarHBondContact N-OD1 2.97Å; A128-A211 PolarHBondContact O-N 2.81Å
129	G	98.6	Very high	98.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	0.9	176.3	0	0	0	0	0	114.7	T148 K164 V165 M169	G129-T148 PolarHBondContact N-O 2.69Å; G129-K164 CarbonylContact O-C 3.49Å; G129-K164 VanDerWaalsContact O-CA 3.29Å; G129-K164 WeakPolarHBondContact O-CA 3.3Å; G129-V165 PolarHBondContact O-N 2.81Å; G129-M169 VanDerWaalsContact CA-SD 3.57Å
130	W	98.7	Very high	98.2	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.9	175	-70	75.7	0	0	0	110.8	P28 F53 V126 G127 A128 T148 V161 K164 S209	P28-W130 HydrophobicContact CG-CH2 3.96Å; P28-W130 HydrophobicContact CG-CZ3 4.05Å; F53-W130 AromaticContact CE2-CE3 3.9Å; F53-W130 HydrophobicContact CE2-CE3 3.9Å; F53-W130 HydrophobicContact CE2-CH2 4.5Å; F53-W130 AromaticContact CE2-CZ3 3.53Å; F53-W130 HydrophobicContact CE2-CZ3 3.53Å; F53-W130 HydrophobicContact CZ-CE3 4.26Å; F53-W130 HydrophobicContact CZ-CH2 4.39Å; F53-W130 AromaticContact CZ-CZ3 3.8Å; F53-W130 HydrophobicContact CZ-CZ3 3.8Å; V126-W130 HydrophobicContact CG2-CD2 4.14Å; V126-W130 HydrophobicContact CG2-CH2 4.13Å; V126-W130 HydrophobicContact CG2-CZ2 3.29Å; V126-W130 VanDerWaalsContact CG2-NE1 3.35Å; G127-W130 VanDerWaalsContact O-CD1 3.23Å; A128-W130 VanDerWaalsContact C-N 3.34Å; W130-T148 WeakPolarHBondContact CA-OG1 3.25Å; W130-T148 WeakPolarHBondContact CB-OG1 3.49Å; W130-T148 PolarHBondContact N-OG1 2.89Å; W130-T148 PolarHBondContact O-N 3.26Å; W130-T148 PolarHBondContact O-OG1 3.33Å; W130-V161 HydrophobicContact CE3-CG1 3.54Å; W130-V161 HydrophobicContact CZ3-CG1 4.1Å; W130-K164 HydrophobicContact CD2-CD 4.37Å; W130-K164 HydrophobicContact CD2-CG 4.49Å; W130-K164 HydrophobicContact CZ2-CD 4.04Å; W130-S209 PolarHBondContact NE1-O 3.03Å
131	L	98.9	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.6	-179.1	178.7	71.1	0	0	0	110.1	I50 L52 F64 F145 F146 I147 F162 G163	I50-L131 HydrophobicContact CD1-CD2 4.32Å; I50-L131 HydrophobicContact CG2-CB 4.2Å; I50-L131 HydrophobicContact CG2-CD2 3.54Å; I50-L131 HydrophobicContact CG2-CG 4.44Å; L52-L131 HydrophobicContact CD2-CD2 3.95Å; F64-L131 HydrophobicContact CD1-CD2 4.27Å; F64-L131 HydrophobicContact CE1-CD2 3.75Å; F64-L131 HydrophobicContact CE2-CD1 4.44Å; F64-L131 HydrophobicContact CE2-CD2 4.22Å; F64-L131 HydrophobicContact CZ-CD1 4.18Å; F64-L131 HydrophobicContact CZ-CD2 3.74Å; L131-F145 HydrophobicContact CD1-CB 4.1Å; L131-F145 HydrophobicContact CD1-CD2 3.41Å; L131-F145 VanDerWaalsContact CD1-CD2 3.41Å; L131-F145 HydrophobicContact CD1-CE2 4.14Å; L131-F145 HydrophobicContact CD1-CG 4.05Å; L131-F146 WeakPolarHBondContact CA-O 3.45Å; L131-I147 HydrophobicContact CD1-CG1 3.73Å; L131-F162 HydrophobicContact CD1-CZ 4.09Å; L131-F162 HydrophobicContact CD2-CD2 3.89Å; L131-F162 HydrophobicContact CD2-CE1 4.36Å; L131-F162 HydrophobicContact CD2-CE2 3.16Å; 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 3.95Å; L131-F162 HydrophobicContact CG-CE2 3.68Å; L131-F162 HydrophobicContact CG-CZ 3.46Å; L131-F162 VanDerWaalsContact CG-CZ 3.46Å; L131-F162 PolarHBondContact O-N 2.71Å; L131-G163 PolarHBondContact N-O 2.88Å; L131-G163 PolarHBondContact O-N 3.39Å
132	S	98.9	Very high	98.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	154.2	-174.1	-170	0	0	0	0	112.2	H125 F145 F146 H159 V160	H125-S132 VanDerWaalsContact NE2-CB 3.31Å; H125-S132 WeakPolarHBondContact NE2-CB 3.42Å; H125-S132 PolarHBondContact NE2-OG 3.42Å; S132-F145 CarbonylContact O-C 3.5Å; S132-F145 VanDerWaalsContact O-CA 3.3Å; S132-F145 WeakPolarHBondContact O-CA 3.28Å; S132-F146 PolarHBondContact N-O 3.36Å; S132-F146 PolarHBondContact O-N 3.2Å; S132-F146 WeakPolarHBondContact OG-CZ 3.42Å; S132-H159 WeakPolarHBondContact OG-CB 3.49Å; S132-V160 WeakPolarHBondContact CA-O 3.48Å; S132-V160 PolarHBondContact OG-O 3.12Å; S132-V160 VanDerWaalsContact OG-O 3.09Å
133	M	98.9	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	131.5	-178.6	-71.3	-57.4	-62.3	0	0	110.5	T60 F116 N141 G142 Q144 F146 H159 V160 F162	T60-M133 HydrophobicContact CG2-CG 3.65Å; T60-M133 HydrophobicContact CG2-SD 4.01Å; F116-M133 HydrophobicContact CE1-CE 4.03Å; F116-M133 HydrophobicContact CZ-CE 4.01Å; F116-M133 HydrophobicContact CZ-SD 4.46Å; M133-N141 WeakPolarHBondContact CB-OD1 3.21Å; M133-N141 HydrophobicContact CE-CB 4.04Å; M133-G142 WeakPolarHBondContact CE-O 3.39Å; M133-Q144 WeakPolarHBondContact CE-O 3.23Å; M133-F146 WeakPolarHBondContact O-CE1 3.34Å; M133-H159 WeakPolarHBondContact O-CB 3.25Å; M133-H159 PolarHBondContact O-ND1 3.47Å; M133-V160 HydrophobicContact CG-CB 4.39Å; M133-V160 PolarHBondContact N-O 3.23Å; M133-F162 HydrophobicContact CB-CE1 4.37Å; M133-F162 HydrophobicContact CG-CD1 3.77Å; M133-F162 HydrophobicContact CG-CE1 3.6Å; M133-F162 HydrophobicContact SD-CD1 4.06Å; M133-F162 HydrophobicContact SD-CE1 3.39Å; M133-F162 WeakPolarHBondContact SD-CE1 3.32Å; M133-F162 HydrophobicContact SD-CZ 3.84Å
134	A	98.7	Very high	98.3	Very high	10 Å²	10	29.3 Å²	29.3	8%	0.083	18%	0.175	C	C	.	.			trans	-78.2	143	163.3	0	0	0	0	0	109.1	Q144 F146	A134-Q144 HydrophobicContact CB-CB 3.75Å; A134-Q144 PolarHBondContact N-O 2.97Å; A134-F146 HydrophobicContact CB-CD1 4.33Å
135	N	98	Very high	98.3	Very high	38 Å²	38	22 Å²	22	20%	0.203	15%	0.148	C	C	.	.			trans	-147.8	165.7	178	68.7	32.6	0	0	0	110.1	G137 T140 K158 H159	N135-G137 PolarHBondContact OD1-N 3.3Å; N135-T140 WeakPolarHBondContact CB-OG1 3.3Å; N135-K158 PolarHBondContact ND2-O 3.44Å; N135-H159 PolarHBondContact OD1-CE1 3.02Å; N135-H159 VanDerWaalsContact OD1-CE1 3.23Å
136	A	97	Very high	98.4	Very high	91 Å²	91	22.3 Å²	22.3	75%	0.752	15%	0.149	S	C	*	.	S	Bend	trans	-109.6	34.9	177.1	0	0	0	0	0	111.3	T140	A136-T140 PolarHBondContact N-OG1 3.39Å
137	G	97.3	Very high	98.5	Very high	27 Å²	27	20.6 Å²	20.6	28%	0.278	14%	0.139	S	C	.	.	S	Bend	trans	119.1	175.3	-171.2	0	0	0	0	0	112.6	N135 T140	N135-G137 PolarHBondContact OD1-N 3.3Å; G137-T140 PolarHBondContact N-OG1 2.86Å; G137-T140 PolarHBondContact O-N 3.04Å; G137-T140 PolarHBondContact O-OG1 2.83Å
138	P	98	Very high	98.5	Very high	108 Å²	108	20.6 Å²	20.6	70%	0.701	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	140	-178	-26	34.8	0	0	0	112.6	D118 T140	D118-P138 WeakPolarHBondContact OD2-CA 3.06Å; P138-T140 VanDerWaalsContact C-N 3.26Å; P138-T140 WeakPolarHBondContact O-CG2 3.22Å; P138-T140 PolarHBondContact O-N 3.36Å
139	D	98.3	Very high	98.5	Very high	86 Å²	86	20.6 Å²	20.6	46%	0.46	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	28.5	174	-56.8	-47.2	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 3.43Å; P117-D139 HydrophobicContact CB-CB 4.34Å; P117-D139 WeakPolarHBondContact CB-OD1 3.49Å; D118-D139 PolarHBondContact N-OD1 2.79Å; D118-D139 PolarHBondContact OD2-N 2.81Å
140	T	98.7	Very high	98.5	Very high	28 Å²	28	22.8 Å²	22.8	17%	0.172	15%	0.152	C	C	.	.			trans	-114	25.9	179.6	64.8	0	0	0	0	114.4	N135 A136 G137 P138 G142	N135-T140 WeakPolarHBondContact CB-OG1 3.3Å; A136-T140 PolarHBondContact N-OG1 3.39Å; G137-T140 PolarHBondContact N-OG1 2.86Å; G137-T140 PolarHBondContact O-N 3.04Å; G137-T140 PolarHBondContact O-OG1 2.83Å; P138-T140 VanDerWaalsContact C-N 3.26Å; P138-T140 WeakPolarHBondContact O-CG2 3.22Å; P138-T140 PolarHBondContact O-N 3.36Å; T140-G142 PolarHBondContact O-N 3.01Å
141	N	98.8	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-64.5	132.1	178.5	-56	-76	0	0	0	110.7	R115 F116 P117 D118 M133	R115-N141 CarbonylContact C-O 3.53Å; R115-N141 WeakPolarHBondContact CA-O 3.49Å; F116-N141 HydrophobicContact CD1-CB 3.71Å; F116-N141 WeakPolarHBondContact CD1-O 3.43Å; F116-N141 HydrophobicContact CD2-CB 4.07Å; F116-N141 HydrophobicContact CE1-CB 3.35Å; F116-N141 HydrophobicContact CE2-CB 3.74Å; F116-N141 HydrophobicContact CG-CB 4.07Å; F116-N141 HydrophobicContact CZ-CB 3.37Å; F116-N141 PolarHBondContact N-O 3.36Å; F116-N141 WeakPolarHBondContact O-CB 3.19Å; F116-N141 PolarHBondContact O-N 3.13Å; F116-N141 PolarHBondContact O-ND2 2.94Å; F116-N141 VanDerWaalsContact O-ND2 3.15Å; P117-N141 PolarHBondContact O-ND2 3.29Å; D118-N141 PolarHBondContact N-ND2 2.89Å; D118-N141 PolarHBondContact OD1-ND2 2.99Å; D118-N141 PolarHBondContact OD1-OD1 2.79Å; M133-N141 WeakPolarHBondContact CB-OD1 3.21Å; M133-N141 HydrophobicContact CE-CB 4.04Å
142	G	98.5	Very high	98.4	Very high	10 Å²	10	28.6 Å²	28.6	10%	0.103	18%	0.177	C	C	.	.			trans	-123.5	-109.1	176.6	0	0	0	0	0	111	N63 F116 M133 T140	N63-G142 PolarHBondContact ND2-O 2.9Å; F116-G142 WeakPolarHBondContact CE1-O 3.32Å; M133-G142 WeakPolarHBondContact CE-O 3.39Å; T140-G142 PolarHBondContact O-N 3.01Å
143	S	98.8	Very high	98.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	20%	0.197	C	C	.	.	S	Bend	trans	-118.3	-14.1	173.5	60.1	0	0	0	0	114.2	Y81 G98 F100 G108 F109	Y81-S143 VanDerWaalsContact CE1-O 3.29Å; Y81-S143 WeakPolarHBondContact CE1-O 3.18Å; Y81-S143 PolarHBondContact OH-O 2.87Å; G98-S143 WeakPolarHBondContact O-CB 3.24Å; G98-S143 PolarHBondContact O-OG 3.14Å; F100-S143 VanDerWaalsContact CE1-OG 3.29Å; F100-S143 WeakPolarHBondContact CE1-OG 3.44Å; G108-S143 WeakPolarHBondContact CA-OG 3.3Å; F109-S143 PolarHBondContact N-OG 3.19Å; F109-S143 WeakPolarHBondContact O-CB 3.35Å
144	Q	98.8	Very high	98.4	Very high	25 Å²	25	37.9 Å²	37.9	12%	0.117	22%	0.221	C	C	.	.			trans	-70.7	142.7	-178.3	-67.1	-175.1	47.2	0	0	111.1	H87 G97 D99 G105 G107 M133 A134	H87-Q144 PolarHBondContact CE1-OE1 2.87Å; H87-Q144 PolarHBondContact NE2-OE1 2.88Å; G97-Q144 VanDerWaalsContact O-CA 3.28Å; G97-Q144 WeakPolarHBondContact O-CA 3.43Å; D99-Q144 HydrophobicContact CB-CG 3.99Å; G105-Q144 PolarHBondContact O-NE2 3.48Å; G107-Q144 PolarHBondContact O-NE2 2.88Å; M133-Q144 WeakPolarHBondContact CE-O 3.23Å; A134-Q144 HydrophobicContact CB-CB 3.75Å; A134-Q144 PolarHBondContact N-O 2.97Å
145	F	98.9	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163.8	-177.7	67.7	-90.2	0	0	0	110	F36 F64 Y81 F86 Q96 G97 L131 S132 I147 F162 I192	F36-F145 HydrophobicContact CD2-CZ 4.4Å; F36-F145 HydrophobicContact CE2-CE1 4.26Å; F36-F145 AromaticContact CE2-CE2 3.94Å; F36-F145 HydrophobicContact CE2-CE2 3.94Å; F36-F145 AromaticContact CE2-CZ 3.5Å; F36-F145 HydrophobicContact CE2-CZ 3.5Å; F36-F145 VanDerWaalsContact CE2-CZ 3.5Å; F36-F145 HydrophobicContact CZ-CE1 4.35Å; F36-F145 HydrophobicContact CZ-CZ 4.02Å; F64-F145 HydrophobicContact CE2-CB 3.88Å; F64-F145 AromaticContact CE2-CD1 3.49Å; F64-F145 HydrophobicContact CE2-CD1 3.49Å; F64-F145 VanDerWaalsContact CE2-CD1 3.49Å; F64-F145 HydrophobicContact CE2-CD2 4.21Å; F64-F145 AromaticContact CE2-CE1 3.99Å; F64-F145 HydrophobicContact CE2-CE1 3.99Å; F64-F145 AromaticContact CE2-CG 3.59Å; F64-F145 HydrophobicContact CE2-CG 3.59Å; F64-F145 HydrophobicContact CZ-CD1 4.08Å; F64-F145 HydrophobicContact CZ-CD2 4.31Å; F64-F145 HydrophobicContact CZ-CE1 4.18Å; F64-F145 HydrophobicContact CZ-CE2 4.42Å; F64-F145 HydrophobicContact CZ-CG 4.12Å; F64-F145 HydrophobicContact CZ-CZ 4.36Å; Y81-F145 HydrophobicContact CD1-CE1 4.3Å; Y81-F145 HydrophobicContact CE1-CD1 4.14Å; Y81-F145 HydrophobicContact CE1-CE1 4.07Å; Y81-F145 HydrophobicContact CE2-CE1 4.43Å; F86-F145 AromaticContact CE1-CE2 3.91Å; F86-F145 HydrophobicContact CE1-CE2 3.91Å; F86-F145 HydrophobicContact CE1-CZ 4.1Å; F86-F145 HydrophobicContact CZ-CE2 4.33Å; F86-F145 HydrophobicContact CZ-CZ 4.24Å; Q96-F145 WeakPolarHBondContact CA-O 3.5Å; G97-F145 PolarHBondContact N-O 2.76Å; G97-F145 PolarHBondContact O-N 3.01Å; L131-F145 HydrophobicContact CD1-CB 4.1Å; L131-F145 HydrophobicContact CD1-CD2 3.41Å; L131-F145 VanDerWaalsContact CD1-CD2 3.41Å; L131-F145 HydrophobicContact CD1-CE2 4.14Å; L131-F145 HydrophobicContact CD1-CG 4.05Å; S132-F145 CarbonylContact O-C 3.5Å; S132-F145 VanDerWaalsContact O-CA 3.3Å; S132-F145 WeakPolarHBondContact O-CA 3.28Å; F145-I147 HydrophobicContact CD2-CG1 4.45Å; F145-I147 HydrophobicContact CE2-CD1 4.42Å; F145-I147 HydrophobicContact CE2-CG1 4.35Å; F145-F162 HydrophobicContact CB-CZ 4.33Å; F145-I192 HydrophobicContact CZ-CD1 4.12Å
146	F	98.9	Very high	98.3	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.5	168.2	62.7	-89.2	0	0	0	112	M94 I95 Q96 H125 L131 S132 M133 A134 T148 L155 H159	M94-F146 HydrophobicContact CB-CB 4.25Å; M94-F146 HydrophobicContact CB-CD2 4.07Å; M94-F146 HydrophobicContact CG-CB 4.34Å; M94-F146 HydrophobicContact CG-CD2 4.47Å; M94-F146 HydrophobicContact SD-CB 3.86Å; I95-F146 CarbonylContact O-C 3.41Å; I95-F146 WeakPolarHBondContact O-CA 3.5Å; I95-F146 WeakPolarHBondContact O-CB 3.2Å; Q96-F146 HydrophobicContact CB-CB 4.09Å; H125-F146 AromaticContact CD2-CE2 3.78Å; H125-F146 AromaticContact CD2-CZ 3.96Å; H125-F146 AromaticContact NE2-CE2 3.83Å; H125-F146 AromaticContact NE2-CZ 3.49Å; H125-F146 WeakPolarHBondContact NE2-CZ 3.44Å; L131-F146 WeakPolarHBondContact CA-O 3.45Å; S132-F146 PolarHBondContact N-O 3.36Å; S132-F146 PolarHBondContact O-N 3.2Å; S132-F146 WeakPolarHBondContact OG-CZ 3.42Å; M133-F146 WeakPolarHBondContact O-CE1 3.34Å; A134-F146 HydrophobicContact CB-CD1 4.33Å; F146-T148 HydrophobicContact CD2-CG2 4.02Å; F146-T148 HydrophobicContact CE2-CG2 3.78Å; F146-L155 HydrophobicContact CE1-CD1 4.49Å; F146-L155 HydrophobicContact CE2-CD1 3.75Å; F146-L155 HydrophobicContact CZ-CD1 3.57Å; F146-H159 HydrophobicContact CE1-CB 4.07Å; F146-H159 AromaticContact CE1-CG 3.96Å; F146-H159 AromaticContact CE1-ND1 3.84Å; F146-H159 HydrophobicContact CZ-CB 4.01Å
147	I	98.9	Very high	98.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.1	169.4	-58.4	171.8	0	0	0	106.9	I50 M94 I95 L131 F145 V165 V172	I50-I147 HydrophobicContact CD1-CD1 4.11Å; M94-I147 CarbonylContact C-O 3.57Å; M94-I147 VanDerWaalsContact CA-O 3.26Å; M94-I147 WeakPolarHBondContact CA-O 3.49Å; M94-I147 WeakPolarHBondContact CB-O 3.25Å; 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 2.93Å; I95-I147 PolarHBondContact O-N 2.92Å; L131-I147 HydrophobicContact CD1-CG1 3.73Å; F145-I147 HydrophobicContact CD2-CG1 4.45Å; F145-I147 HydrophobicContact CE2-CD1 4.42Å; F145-I147 HydrophobicContact CE2-CG1 4.35Å; I147-V165 HydrophobicContact CD1-CG2 4.2Å; I147-V165 HydrophobicContact CG2-CG2 3.75Å; I147-V172 HydrophobicContact CD1-CG2 4.28Å; I147-V172 HydrophobicContact CG2-CG1 3.94Å; I147-V172 HydrophobicContact CG2-CG2 4.3Å
148	T	98.8	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	143.4	177.3	52.8	0	0	0	0	111.1	H125 G127 G129 W130 F146 V150 T152	H125-T148 HydrophobicContact CB-CG2 4.42Å; G127-T148 PolarHBondContact O-OG1 3.08Å; G129-T148 PolarHBondContact N-O 2.69Å; W130-T148 WeakPolarHBondContact CA-OG1 3.25Å; W130-T148 WeakPolarHBondContact CB-OG1 3.49Å; W130-T148 PolarHBondContact N-OG1 2.89Å; W130-T148 PolarHBondContact O-N 3.26Å; W130-T148 PolarHBondContact O-OG1 3.33Å; F146-T148 HydrophobicContact CD2-CG2 4.02Å; F146-T148 HydrophobicContact CE2-CG2 3.78Å; T148-V150 WeakPolarHBondContact CB-O 3.4Å; T148-T152 HydrophobicContact CG2-CG2 4.11Å; T148-T152 VanDerWaalsContact CG2-OG1 3.32Å; T148-T152 WeakPolarHBondContact CG2-OG1 3.32Å
149	T	98.6	Very high	98.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-111.3	-8.4	174.2	66.6	0	0	0	0	111.9	F93 I95 A128 V172 R173 E176	F93-T149 VanDerWaalsContact C-OG1 3.25Å; F93-T149 PolarHBondContact N-OG1 2.89Å; F93-T149 VanDerWaalsContact N-OG1 3.11Å; F93-T149 PolarHBondContact O-N 3.06Å; F93-T149 PolarHBondContact O-OG1 2.87Å; I95-T149 HydrophobicContact CG2-CG2 4.42Å; A128-T149 VanDerWaalsContact CB-O 3.29Å; A128-T149 WeakPolarHBondContact CB-O 3.39Å; T149-V172 HydrophobicContact CG2-CG1 4.13Å; T149-R173 PolarHBondContact O-NH1 2.82Å; T149-R173 PolarHBondContact O-NH2 2.84Å; T149-E176 WeakPolarHBondContact CB-OE1 3.41Å; T149-E176 WeakPolarHBondContact CB-OE2 3.21Å; T149-E176 HydrophobicContact CG2-CB 4.09Å; T149-E176 VanDerWaalsContact CG2-CD 3.47Å; T149-E176 HydrophobicContact CG2-CG 3.99Å; T149-E176 VanDerWaalsContact OG1-CD 3.31Å; T149-E176 PolarHBondContact OG1-OE1 3.14Å
150	V	98.3	Very high	98.5	Very high	45 Å²	45	33.3 Å²	33.3	27%	0.273	17%	0.174	S	C	.	.	S	Bend	trans	-143.5	175.8	171.3	-62.6	0	0	0	0	108.7	S92 T148 T152	S92-V150 WeakPolarHBondContact O-CG2 3.47Å; T148-V150 WeakPolarHBondContact CB-O 3.4Å; V150-T152 HydrophobicContact CG2-CG2 4.11Å; V150-T152 PolarHBondContact O-N 3.37Å
151	K	98.3	Very high	98.5	Very high	123 Å²	123	32.1 Å²	32.1	54%	0.535	17%	0.166	S	C	.	.			trans	-64.1	126.7	167.6	-177.4	178.8	-180	178.1	0	110.5	H125	H125-K151 VanDerWaalsContact O-CG 3.32Å; H125-K151 WeakPolarHBondContact O-CG 3.4Å
152	T	97.8	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.			trans	-123.3	51.8	-176.8	58.2	0	0	0	0	112.4	F93 H125 T148 V150 W154 L155	F93-T152 HydrophobicContact CD2-CG2 3.54Å; F93-T152 HydrophobicContact CE2-CG2 3.71Å; H125-T152 WeakPolarHBondContact CB-OG1 3.08Å; H125-T152 PolarHBondContact O-N 2.94Å; T148-T152 HydrophobicContact CG2-CG2 4.11Å; T148-T152 VanDerWaalsContact CG2-OG1 3.32Å; T148-T152 WeakPolarHBondContact CG2-OG1 3.32Å; V150-T152 HydrophobicContact CG2-CG2 4.11Å; V150-T152 PolarHBondContact O-N 3.37Å; T152-W154 HydrophobicContact CG2-CH2 3.95Å; T152-W154 HydrophobicContact CG2-CZ2 3.7Å; T152-W154 PolarHBondContact O-N 2.91Å; T152-L155 WeakPolarHBondContact O-CB 3.14Å; T152-L155 PolarHBondContact O-N 2.88Å
153	S	97.9	Very high	98.5	Very high	59 Å²	59	31.6 Å²	31.6	41%	0.413	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-60.7	-15.8	-171.9	55.7	0	0	0	0	115.4	L155 D156	S153-L155 PolarHBondContact O-N 3.06Å; S153-D156 WeakPolarHBondContact O-CB 3.34Å; S153-D156 PolarHBondContact O-N 2.82Å
154	W	98.2	Very high	98.5	Very high	137 Å²	137	32 Å²	32	52%	0.519	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-69	-12.7	173.3	57.3	87.9	0	0	0	113.8	F93 T152 K158	F93-W154 AromaticContact CD2-CZ2 3.69Å; F93-W154 HydrophobicContact CD2-CZ2 3.69Å; F93-W154 AromaticContact CE2-CE2 3.98Å; F93-W154 AromaticContact CE2-CZ2 3.68Å; F93-W154 HydrophobicContact CE2-CZ2 3.68Å; F93-W154 AromaticContact CE2-NE1 3.69Å; T152-W154 HydrophobicContact CG2-CH2 3.95Å; T152-W154 HydrophobicContact CG2-CZ2 3.7Å; T152-W154 PolarHBondContact O-N 2.91Å; W154-K158 PolarHBondContact O-NZ 3.47Å
155	L	98.1	Very high	98.5	Very high	20 Å²	20	31 Å²	31	11%	0.105	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-93.5	-8.5	174.1	-57.1	-174.7	0	0	0	113.1	F93 H125 F146 T152 S153 G157 K158 H159	F93-L155 HydrophobicContact CE2-CD1 3.9Å; F93-L155 HydrophobicContact CZ-CD1 4.16Å; H125-L155 PolarHBondContact CE1-O 3.38Å; F146-L155 HydrophobicContact CE1-CD1 4.49Å; F146-L155 HydrophobicContact CE2-CD1 3.75Å; F146-L155 HydrophobicContact CZ-CD1 3.57Å; T152-L155 WeakPolarHBondContact O-CB 3.14Å; T152-L155 PolarHBondContact O-N 2.88Å; S153-L155 PolarHBondContact O-N 3.06Å; L155-G157 PolarHBondContact O-N 2.99Å; L155-K158 PolarHBondContact O-N 3.37Å; L155-K158 VanDerWaalsContact O-N 3.12Å; L155-H159 PolarHBondContact O-N 2.97Å
156	D	98.2	Very high	98.5	Very high	42 Å²	42	32.8 Å²	32.8	23%	0.225	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	135.8	178.6	-67	-15.6	0	0	0	110.5	R124 H125 S153 K158	R124-D156 WeakPolarHBondContact CA-OD1 3.29Å; R124-D156 WeakPolarHBondContact CB-OD1 3.39Å; R124-D156 WeakPolarHBondContact CB-OD2 3.41Å; R124-D156 WeakPolarHBondContact CD-OD2 3.23Å; R124-D156 HydrophobicContact CG-CB 4.28Å; H125-D156 IonicContact CE1-OD1 2.76Å; H125-D156 IonicContact CG-OD1 2.71Å; H125-D156 PolarHBondContact N-OD1 3.03Å; H125-D156 IonicContact ND1-OD1 3.2Å; H125-D156 PolarHBondContact ND1-OD1 2.93Å; S153-D156 WeakPolarHBondContact O-CB 3.34Å; S153-D156 PolarHBondContact O-N 2.82Å; D156-K158 PolarHBondContact O-N 2.69Å
157	G	98.1	Very high	98.4	Very high	44 Å²	44	36.8 Å²	36.8	45%	0.454	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	4.2	-176.3	0	0	0	0	0	115	L155	L155-G157 PolarHBondContact O-N 2.99Å
158	K	98.5	Very high	98.4	Very high	127 Å²	127	37.3 Å²	37.3	55%	0.552	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-30.3	-179.9	-60.5	175	-175.4	166.1	0	113.6	N135 W154 L155 D156	N135-K158 PolarHBondContact ND2-O 3.44Å; W154-K158 PolarHBondContact O-NZ 3.47Å; L155-K158 PolarHBondContact O-N 3.37Å; L155-K158 VanDerWaalsContact O-N 3.12Å; D156-K158 PolarHBondContact O-N 2.69Å
159	H	98.8	Very high	98.4	Very high	30 Å²	30	37.4 Å²	37.4	14%	0.139	19%	0.194	C	C	.	.	S	Bend	trans	-124.3	130.6	178.9	-64.1	-88.8	0	0	0	109.6	S132 M133 N135 F146 L155 V161	S132-H159 WeakPolarHBondContact OG-CB 3.49Å; M133-H159 WeakPolarHBondContact O-CB 3.25Å; M133-H159 PolarHBondContact O-ND1 3.47Å; N135-H159 PolarHBondContact OD1-CE1 3.02Å; N135-H159 VanDerWaalsContact OD1-CE1 3.23Å; F146-H159 HydrophobicContact CE1-CB 4.07Å; F146-H159 AromaticContact CE1-CG 3.96Å; F146-H159 AromaticContact CE1-ND1 3.84Å; F146-H159 HydrophobicContact CZ-CB 4.01Å; L155-H159 PolarHBondContact O-N 2.97Å; H159-V161 PolarHBondContact O-N 3.43Å
160	V	98.8	Very high	98.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.			trans	-72.7	113.4	-179.1	-179.5	0	0	0	0	109.1	V57 T60 D118 F121 S132 M133 F162	V57-V160 HydrophobicContact CG1-CG1 3.89Å; T60-V160 HydrophobicContact CG2-CG1 4.13Å; D118-V160 HydrophobicContact CB-CG2 3.94Å; F121-V160 HydrophobicContact CD1-CG2 4.45Å; F121-V160 HydrophobicContact CE1-CG2 3.99Å; S132-V160 WeakPolarHBondContact CA-O 3.48Å; S132-V160 PolarHBondContact OG-O 3.12Å; S132-V160 VanDerWaalsContact OG-O 3.09Å; M133-V160 HydrophobicContact CG-CB 4.39Å; M133-V160 PolarHBondContact N-O 3.23Å; V160-F162 WeakPolarHBondContact O-CD1 3.23Å
161	V	98.8	Very high	98.4	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.4	172.7	176	0	0	0	0	109.2	L123 H125 W130 H159	L123-V161 HydrophobicContact CB-CB 3.76Å; L123-V161 HydrophobicContact CB-CG1 3.83Å; L123-V161 HydrophobicContact CD1-CG1 4.44Å; H125-V161 WeakPolarHBondContact CE1-CG2 3.42Å; H125-V161 VanDerWaalsContact NE2-CG2 3.33Å; H125-V161 WeakPolarHBondContact NE2-CG2 3.28Å; W130-V161 HydrophobicContact CE3-CG1 3.54Å; W130-V161 HydrophobicContact CZ3-CG1 4.1Å; H159-V161 PolarHBondContact O-N 3.43Å
162	F	98.9	Very high	98.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	-0	-170.4	69.3	-91.4	0	0	0	115.5	L52 F53 V57 T60 V61 F64 L131 M133 F145 V160	L52-F162 HydrophobicContact CD2-CD2 4.18Å; L52-F162 HydrophobicContact CD2-CE2 4.22Å; F53-F162 WeakPolarHBondContact CD2-O 3.39Å; F53-F162 PolarHBondContact N-O 2.74Å; V57-F162 HydrophobicContact CG2-CB 3.5Å; V57-F162 VanDerWaalsContact CG2-CB 3.5Å; T60-F162 HydrophobicContact CG2-CB 3.7Å; T60-F162 HydrophobicContact CG2-CD1 3.69Å; T60-F162 HydrophobicContact CG2-CD2 4.27Å; T60-F162 HydrophobicContact CG2-CE1 4.36Å; T60-F162 HydrophobicContact CG2-CG 3.63Å; V61-F162 HydrophobicContact CG2-CB 4.49Å; F64-F162 HydrophobicContact CB-CD2 4.36Å; F64-F162 HydrophobicContact CB-CE2 3.64Å; F64-F162 HydrophobicContact CB-CZ 4.3Å; F64-F162 AromaticContact CD1-CE2 3.88Å; F64-F162 HydrophobicContact CD1-CE2 3.88Å; F64-F162 AromaticContact CD2-CE2 3.43Å; F64-F162 HydrophobicContact CD2-CE2 3.43Å; F64-F162 VanDerWaalsContact CD2-CE2 3.43Å; F64-F162 AromaticContact CD2-CZ 3.36Å; F64-F162 HydrophobicContact CD2-CZ 3.36Å; F64-F162 HydrophobicContact CE1-CE2 4.33Å; F64-F162 AromaticContact CE2-CE2 3.97Å; F64-F162 HydrophobicContact CE2-CE2 3.97Å; F64-F162 AromaticContact CE2-CZ 3.68Å; F64-F162 HydrophobicContact CE2-CZ 3.68Å; F64-F162 HydrophobicContact CG-CD2 4.45Å; F64-F162 AromaticContact CG-CE2 3.38Å; F64-F162 HydrophobicContact CG-CE2 3.38Å; F64-F162 AromaticContact CG-CZ 3.85Å; F64-F162 HydrophobicContact CG-CZ 3.85Å; F64-F162 HydrophobicContact CZ-CE2 4.38Å; F64-F162 HydrophobicContact CZ-CZ 4.37Å; L131-F162 HydrophobicContact CD1-CZ 4.09Å; L131-F162 HydrophobicContact CD2-CD2 3.89Å; L131-F162 HydrophobicContact CD2-CE1 4.36Å; L131-F162 HydrophobicContact CD2-CE2 3.16Å; 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 3.95Å; L131-F162 HydrophobicContact CG-CE2 3.68Å; L131-F162 HydrophobicContact CG-CZ 3.46Å; L131-F162 VanDerWaalsContact CG-CZ 3.46Å; L131-F162 PolarHBondContact O-N 2.71Å; M133-F162 HydrophobicContact CB-CE1 4.37Å; M133-F162 HydrophobicContact CG-CD1 3.77Å; M133-F162 HydrophobicContact CG-CE1 3.6Å; M133-F162 HydrophobicContact SD-CD1 4.06Å; M133-F162 HydrophobicContact SD-CE1 3.39Å; M133-F162 WeakPolarHBondContact SD-CE1 3.32Å; M133-F162 HydrophobicContact SD-CZ 3.84Å; F145-F162 HydrophobicContact CB-CZ 4.33Å; V160-F162 WeakPolarHBondContact O-CD1 3.23Å
163	G	98.8	Very high	98.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	-178	174.1	0	0	0	0	0	113.9	G51 F53 L131	G51-G163 CarbonylContact O-C 3.58Å; G51-G163 WeakPolarHBondContact O-CA 3.21Å; F53-G163 WeakPolarHBondContact CE2-O 3.47Å; F53-G163 VanDerWaalsContact CZ-C 3.44Å; L131-G163 PolarHBondContact N-O 2.88Å; L131-G163 PolarHBondContact O-N 3.39Å
164	K	98.7	Very high	98.5	Very high	9 Å²	9	38.9 Å²	38.9	4%	0.039	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	138.8	173.2	-176.7	-179.8	172.1	178	0	110.1	G51 F53 G129 W130 V166 V206 T207 S209 D210	G51-K164 PolarHBondContact N-O 3.3Å; G51-K164 PolarHBondContact O-N 3.26Å; F53-K164 HydrophobicContact CE1-CB 4.48Å; F53-K164 HydrophobicContact CZ-CB 3.7Å; G129-K164 CarbonylContact O-C 3.49Å; G129-K164 VanDerWaalsContact O-CA 3.29Å; G129-K164 WeakPolarHBondContact O-CA 3.3Å; W130-K164 HydrophobicContact CD2-CD 4.37Å; W130-K164 HydrophobicContact CD2-CG 4.49Å; W130-K164 HydrophobicContact CZ2-CD 4.04Å; K164-V166 PolarHBondContact O-N 3.07Å; K164-V206 HydrophobicContact CD-CB 4.38Å; K164-V206 HydrophobicContact CD-CG2 4.17Å; K164-T207 PolarHBondContact NZ-O 2.81Å; K164-S209 WeakPolarHBondContact CE-O 3.44Å; K164-S209 PolarHBondContact NZ-O 3.19Å; K164-D210 PolarHBondContact NZ-O 2.86Å; K164-D210 VanDerWaalsContact NZ-O 3.16Å
165	V	98.7	Very high	98.5	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.024	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	126.3	169.9	178.2	0	0	0	0	108.7	I48 I50 G129 I147 E167 M169 V172 A211	I48-V165 HydrophobicContact CG2-CG1 4.09Å; I48-V165 HydrophobicContact CG2-CG2 4.2Å; I50-V165 HydrophobicContact CG1-CG2 4.42Å; G129-V165 PolarHBondContact O-N 2.81Å; I147-V165 HydrophobicContact CD1-CG2 4.2Å; I147-V165 HydrophobicContact CG2-CG2 3.75Å; V165-E167 WeakPolarHBondContact CG1-O 3.45Å; V165-M169 HydrophobicContact CB-SD 4.19Å; V165-M169 HydrophobicContact CG1-CB 4.11Å; V165-M169 HydrophobicContact CG1-SD 4.22Å; V165-M169 HydrophobicContact CG2-SD 4.31Å; V165-V172 HydrophobicContact CG2-CG2 4.23Å; V165-A211 HydrophobicContact CB-CB 4.25Å; V165-A211 WeakPolarHBondContact O-CB 3.39Å
166	V	98	Very high	98.5	Very high	37 Å²	37	32.2 Å²	32.2	22%	0.224	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-23.3	178.4	-65.8	0	0	0	0	112.4	K33 I49 K164 V206	K33-V166 HydrophobicContact CD-CG2 4.06Å; I49-V166 HydrophobicContact CB-CG2 4.03Å; I49-V166 HydrophobicContact CG2-CG2 3.64Å; I49-V166 WeakPolarHBondContact O-CG2 3.33Å; I49-V166 PolarHBondContact O-N 2.97Å; K164-V166 PolarHBondContact O-N 3.07Å; V166-V206 HydrophobicContact CG1-CG1 4.24Å
167	E	98.3	Very high	98.5	Very high	93 Å²	93	33.9 Å²	33.9	44%	0.435	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	146.4	172.8	-56.2	170.7	-130.2	0	0	109	I49 V165	I49-E167 HydrophobicContact CB-CB 4Å; I49-E167 HydrophobicContact CB-CG 4.45Å; I49-E167 HydrophobicContact CD1-CB 4.43Å; I49-E167 HydrophobicContact CG1-CB 4.23Å; I49-E167 PolarHBondContact N-O 2.85Å; I49-E167 PolarHBondContact O-N 3.16Å; V165-E167 WeakPolarHBondContact CG1-O 3.45Å
168	G	98.4	Very high	98.5	Very high	10 Å²	10	33.2 Å²	33.2	10%	0.103	17%	0.166	C	C	.	.			trans	82.6	32.5	176.8	0	0	0	0	0	114.4	N170 I171 V172	G168-N170 WeakPolarHBondContact CA-OD1 3.41Å; G168-N170 PolarHBondContact O-N 2.77Å; G168-I171 WeakPolarHBondContact O-CB 2.97Å; G168-I171 PolarHBondContact O-N 2.92Å; G168-V172 PolarHBondContact O-N 3.29Å
169	M	98.5	Very high	98.5	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-66.2	-25.1	174.1	-170.8	65.1	-159.8	0	0	111	A128 G129 V165 I171 V172 R173 A211 E213	A128-M169 HydrophobicContact CB-CE 3.95Å; G129-M169 VanDerWaalsContact CA-SD 3.57Å; V165-M169 HydrophobicContact CB-SD 4.19Å; V165-M169 HydrophobicContact CG1-CB 4.11Å; V165-M169 HydrophobicContact CG1-SD 4.22Å; V165-M169 HydrophobicContact CG2-SD 4.31Å; M169-I171 PolarHBondContact O-N 2.68Å; M169-V172 HydrophobicContact CE-CB 4.13Å; M169-V172 HydrophobicContact CE-CG1 3.71Å; M169-V172 WeakPolarHBondContact O-CA 3.29Å; M169-V172 WeakPolarHBondContact O-CB 3.42Å; M169-V172 PolarHBondContact O-N 2.91Å; M169-V172 VanDerWaalsContact O-N 3.13Å; M169-V172 HydrophobicContact SD-CB 3.99Å; M169-V172 HydrophobicContact SD-CG1 4.1Å; M169-V172 HydrophobicContact SD-CG2 4.27Å; M169-R173 WeakPolarHBondContact O-CG 3.4Å; M169-R173 PolarHBondContact O-N 2.88Å; M169-A211 HydrophobicContact CB-CB 4.33Å; M169-A211 HydrophobicContact CG-CB 4.05Å; M169-A211 HydrophobicContact SD-CB 3.96Å; M169-E213 WeakPolarHBondContact CB-OE1 3.28Å; M169-E213 PolarHBondContact N-OE2 2.95Å
170	N	98.2	Very high	98.5	Very high	80 Å²	80	32.9 Å²	32.9	43%	0.428	18%	0.177	S	C	.	.	H	α-helix	trans	-67.1	-33.8	177.8	54.8	-13.3	0	0	0	110.1	G168 R173 Q174 E213	G168-N170 WeakPolarHBondContact CA-OD1 3.41Å; G168-N170 PolarHBondContact O-N 2.77Å; N170-R173 WeakPolarHBondContact O-CB 3.49Å; N170-R173 PolarHBondContact O-N 3.5Å; N170-Q174 WeakPolarHBondContact O-CB 3.28Å; N170-Q174 PolarHBondContact O-N 3.27Å; N170-E213 WeakPolarHBondContact CA-OE1 3.05Å; N170-E213 HydrophobicContact CB-CG 4.12Å; N170-E213 WeakPolarHBondContact CB-OE1 3.36Å; N170-E213 VanDerWaalsContact CB-OE2 3.23Å; N170-E213 WeakPolarHBondContact CB-OE2 3.37Å; N170-E213 PolarHBondContact N-OE1 2.91Å; N170-E213 PolarHBondContact N-OE2 3.21Å; N170-E213 PolarHBondContact OD1-OE2 3.49Å
171	I	98.5	Very high	98.4	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.051	19%	0.191	C	C	.	.	H	α-helix	trans	-68.8	-41.8	175.5	-48.9	-44.5	0	0	0	109.5	I38 L45 A46 I48 G168 M169 R173 Q174 I175	I38-I171 HydrophobicContact CB-CG2 4.23Å; I38-I171 HydrophobicContact CG1-CG2 4.03Å; L45-I171 HydrophobicContact CD2-CG2 3.71Å; L45-I171 HydrophobicContact CG-CG2 4.11Å; A46-I171 HydrophobicContact CB-CD1 3.37Å; A46-I171 HydrophobicContact CB-CG1 3.64Å; I48-I171 HydrophobicContact CD1-CB 4.36Å; I48-I171 HydrophobicContact CD1-CG2 4.14Å; I48-I171 HydrophobicContact CG1-CB 3.88Å; I48-I171 HydrophobicContact CG1-CG2 3.95Å; G168-I171 WeakPolarHBondContact O-CB 2.97Å; G168-I171 PolarHBondContact O-N 2.92Å; M169-I171 PolarHBondContact O-N 2.68Å; I171-R173 VanDerWaalsContact C-N 3.32Å; I171-R173 PolarHBondContact O-N 2.81Å; I171-Q174 PolarHBondContact O-N 2.98Å; I171-I175 VanDerWaalsContact O-CG1 3.3Å; I171-I175 WeakPolarHBondContact O-CG1 3.41Å; I171-I175 PolarHBondContact O-N 2.89Å
172	V	98.7	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-43.8	171.9	174.1	0	0	0	0	111	I48 I95 I147 T149 V165 G168 M169 Q174 I175 E176	I48-V172 HydrophobicContact CD1-CG2 3.7Å; I48-V172 HydrophobicContact CG1-CG2 4.25Å; I48-V172 HydrophobicContact CG2-CG2 4.3Å; I95-V172 HydrophobicContact CD1-CB 4.29Å; I95-V172 HydrophobicContact CD1-CG1 3.77Å; I95-V172 HydrophobicContact CD1-CG2 4.24Å; I95-V172 HydrophobicContact CG1-CG1 4.2Å; I147-V172 HydrophobicContact CD1-CG2 4.28Å; I147-V172 HydrophobicContact CG2-CG1 3.94Å; I147-V172 HydrophobicContact CG2-CG2 4.3Å; T149-V172 HydrophobicContact CG2-CG1 4.13Å; V165-V172 HydrophobicContact CG2-CG2 4.23Å; G168-V172 PolarHBondContact O-N 3.29Å; M169-V172 HydrophobicContact CE-CB 4.13Å; M169-V172 HydrophobicContact CE-CG1 3.71Å; M169-V172 WeakPolarHBondContact O-CA 3.29Å; M169-V172 WeakPolarHBondContact O-CB 3.42Å; M169-V172 PolarHBondContact O-N 2.91Å; M169-V172 VanDerWaalsContact O-N 3.13Å; M169-V172 HydrophobicContact SD-CB 3.99Å; M169-V172 HydrophobicContact SD-CG1 4.1Å; M169-V172 HydrophobicContact SD-CG2 4.27Å; V172-Q174 VanDerWaalsContact C-N 3.34Å; V172-I175 PolarHBondContact O-N 3.28Å; V172-E176 WeakPolarHBondContact O-CB 3.49Å; V172-E176 PolarHBondContact O-N 2.69Å
173	R	98.4	Very high	98.3	Very high	87 Å²	87	49.3 Å²	49.3	33%	0.328	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-37.2	175.6	-65.5	-58.1	-174.9	-179.3	-3.2	112.9	T149 M169 N170 I171 E176 S177	T149-R173 PolarHBondContact O-NH1 2.82Å; T149-R173 PolarHBondContact O-NH2 2.84Å; M169-R173 WeakPolarHBondContact O-CG 3.4Å; M169-R173 PolarHBondContact O-N 2.88Å; N170-R173 WeakPolarHBondContact O-CB 3.49Å; N170-R173 PolarHBondContact O-N 3.5Å; I171-R173 VanDerWaalsContact C-N 3.32Å; I171-R173 PolarHBondContact O-N 2.81Å; R173-E176 VanDerWaalsContact CD-OE2 3.22Å; R173-E176 WeakPolarHBondContact CD-OE2 3.37Å; R173-E176 IonicContact CZ-OE2 3.39Å; R173-E176 IonicContact NE-OE2 3.74Å; R173-E176 IonicContact NH1-OE1 3.95Å; R173-E176 IonicContact NH1-OE2 3.54Å; R173-E176 PolarHBondContact NH1-OE2 3.24Å; R173-E176 WeakPolarHBondContact O-CB 3.46Å; R173-E176 PolarHBondContact O-N 3.08Å; R173-S177 WeakPolarHBondContact O-CB 3.42Å; R173-S177 PolarHBondContact O-N 2.75Å
174	Q	98	Very high	98.3	Very high	82 Å²	82	51.6 Å²	51.6	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-66.4	-44.5	176.5	-173.8	170	-7.9	0	0	111	L45 N170 I171 V172 E176 S177 E178	L45-Q174 HydrophobicContact CD2-CG 4.35Å; N170-Q174 WeakPolarHBondContact O-CB 3.28Å; N170-Q174 PolarHBondContact O-N 3.27Å; I171-Q174 PolarHBondContact O-N 2.98Å; V172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-E176 VanDerWaalsContact C-N 3.35Å; Q174-E176 PolarHBondContact O-N 2.79Å; Q174-S177 PolarHBondContact O-N 2.59Å; Q174-S177 VanDerWaalsContact O-N 3.11Å; Q174-S177 PolarHBondContact O-OG 2.88Å; Q174-E178 PolarHBondContact O-N 2.78Å
175	I	98.6	Very high	98.3	Very high	2 Å²	2	57 Å²	57	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-48	172.1	-66	169.2	0	0	0	110.3	I38 I48 F86 V89 I95 I171 V172 S177 E178 I190	I38-I175 HydrophobicContact CG1-CD1 4.3Å; I38-I175 HydrophobicContact CG2-CD1 4.05Å; I38-I175 HydrophobicContact CG2-CG1 4.45Å; I48-I175 HydrophobicContact CD1-CD1 4.18Å; F86-I175 HydrophobicContact CD2-CD1 4.41Å; F86-I175 HydrophobicContact CE2-CD1 4.27Å; V89-I175 HydrophobicContact CG2-CG2 3.98Å; I95-I175 HydrophobicContact CB-CG2 4.13Å; I95-I175 HydrophobicContact CD1-CB 4.23Å; I95-I175 HydrophobicContact CD1-CD1 4Å; I95-I175 HydrophobicContact CD1-CG2 3.89Å; I95-I175 HydrophobicContact CG2-CB 4.43Å; I95-I175 HydrophobicContact CG2-CG2 3.73Å; I171-I175 VanDerWaalsContact O-CG1 3.3Å; I171-I175 WeakPolarHBondContact O-CG1 3.41Å; I171-I175 PolarHBondContact O-N 2.89Å; V172-I175 PolarHBondContact O-N 3.28Å; I175-S177 PolarHBondContact O-N 2.83Å; I175-E178 WeakPolarHBondContact O-CB 3.46Å; I175-E178 PolarHBondContact O-N 2.78Å; I175-E178 VanDerWaalsContact O-N 3.14Å; I175-I190 HydrophobicContact CB-CD1 4.35Å; I175-I190 HydrophobicContact CD1-CG2 4Å; I175-I190 HydrophobicContact CG1-CD1 4.5Å; I175-I190 HydrophobicContact CG1-CG2 3.83Å; I175-I190 HydrophobicContact CG2-CD1 3.71Å; I175-I190 HydrophobicContact CG2-CG2 4.15Å
176	E	98.5	Very high	98.2	Very high	15 Å²	15	57.2 Å²	57.2	7%	0.07	30%	0.296	C	S	.	.	H	α-helix	trans	-56.4	-31	176.8	179	-174.6	-154.1	0	0	113	K91 S92 I95 T149 V172 R173 Q174	K91-E176 HydrophobicContact CB-CG 4.45Å; K91-E176 HydrophobicContact CG-CG 4.32Å; S92-E176 WeakPolarHBondContact CA-OE1 3.34Å; S92-E176 PolarHBondContact N-OE1 2.85Å; I95-E176 HydrophobicContact CG2-CB 4.22Å; T149-E176 WeakPolarHBondContact CB-OE1 3.41Å; T149-E176 WeakPolarHBondContact CB-OE2 3.21Å; T149-E176 HydrophobicContact CG2-CB 4.09Å; T149-E176 VanDerWaalsContact CG2-CD 3.47Å; T149-E176 HydrophobicContact CG2-CG 3.99Å; T149-E176 VanDerWaalsContact OG1-CD 3.31Å; T149-E176 PolarHBondContact OG1-OE1 3.14Å; V172-E176 WeakPolarHBondContact O-CB 3.49Å; V172-E176 PolarHBondContact O-N 2.69Å; R173-E176 VanDerWaalsContact CD-OE2 3.22Å; R173-E176 WeakPolarHBondContact CD-OE2 3.37Å; R173-E176 IonicContact CZ-OE2 3.39Å; R173-E176 IonicContact NE-OE2 3.74Å; R173-E176 IonicContact NH1-OE1 3.95Å; R173-E176 IonicContact NH1-OE2 3.54Å; R173-E176 PolarHBondContact NH1-OE2 3.24Å; R173-E176 WeakPolarHBondContact O-CB 3.46Å; R173-E176 PolarHBondContact O-N 3.08Å; Q174-E176 VanDerWaalsContact C-N 3.35Å; Q174-E176 PolarHBondContact O-N 2.79Å
177	S	98	Very high	98.3	Very high	77 Å²	77	60.5 Å²	60.5	54%	0.538	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.7	-178.2	76.4	0	0	0	0	114.8	R173 Q174 I175	R173-S177 WeakPolarHBondContact O-CB 3.42Å; R173-S177 PolarHBondContact O-N 2.75Å; Q174-S177 PolarHBondContact O-N 2.59Å; Q174-S177 VanDerWaalsContact O-N 3.11Å; Q174-S177 PolarHBondContact O-OG 2.88Å; I175-S177 PolarHBondContact O-N 2.83Å
178	E	98	Very high	98.3	Very high	29 Å²	29	59.9 Å²	59.9	14%	0.136	31%	0.311	C	S	.	.	S	Bend	trans	-64.6	148.4	178.1	-73.5	-67.1	164.5	0	0	111.4	Q174 I175 K188 I190	Q174-E178 PolarHBondContact O-N 2.78Å; I175-E178 WeakPolarHBondContact O-CB 3.46Å; I175-E178 PolarHBondContact O-N 2.78Å; I175-E178 VanDerWaalsContact O-N 3.14Å; E178-K188 IonicContact OE1-NZ 3.67Å; E178-K188 PolarHBondContact OE1-NZ 3.37Å; E178-K188 WeakPolarHBondContact OE2-CD 3.23Å; E178-K188 WeakPolarHBondContact OE2-CE 3.42Å; E178-K188 IonicContact OE2-NZ 2.85Å; E178-K188 PolarHBondContact OE2-NZ 2.88Å; E178-I190 HydrophobicContact CB-CD1 4.01Å; E178-I190 HydrophobicContact CG-CD1 3.83Å
179	T	98.2	Very high	98.2	Very high	100 Å²	100	62 Å²	62	61%	0.613	32%	0.324	S	S	*	.			trans	-69.8	136.4	177.9	-57.5	0	0	0	0	110.2	V187	T179-V187 HydrophobicContact CG2-CG2 4.1Å; T179-V187 PolarHBondContact O-N 2.94Å
180	T	98.5	Very high	98.3	Very high	51 Å²	51	62 Å²	62	31%	0.313	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-116.4	156.8	178.6	56.9	0	0	0	0	112.3	V89 R185 P186	V89-T180 HydrophobicContact CB-CG2 4.07Å; V89-T180 HydrophobicContact CG1-CG2 4.36Å; T180-R185 CarbonylContact C-O 3.59Å; T180-R185 WeakPolarHBondContact CA-O 3.43Å; T180-R185 WeakPolarHBondContact CB-O 3.23Å; T180-P186 HydrophobicContact CG2-CG 4.46Å
181	D	98	Very high	98.3	Very high	53 Å²	53	61.1 Å²	61.1	28%	0.283	32%	0.317	S	S	.	.			trans	-78	-178.2	169.6	79.2	-0	0	0	0	111.6	R183 D184 R185	D181-R183 PolarHBondContact O-N 3.01Å; D181-R183 WeakPolarHBondContact OD1-CA 3.3Å; D181-R183 WeakPolarHBondContact OD1-CB 3.17Å; D181-R183 PolarHBondContact OD1-N 3.42Å; D181-R183 IonicContact OD2-CZ 3.93Å; D181-R183 IonicContact OD2-NE 3.61Å; D181-R183 IonicContact OD2-NH2 2.83Å; D181-R183 PolarHBondContact OD2-NH2 3.42Å; D181-D184 PolarHBondContact O-N 2.88Å; D181-D184 VanDerWaalsContact O-N 3.12Å; D181-D184 PolarHBondContact OD1-N 2.96Å; D181-R185 PolarHBondContact N-O 3.17Å; D181-R185 WeakPolarHBondContact OD1-CB 3.48Å; D181-R185 PolarHBondContact OD1-N 3.2Å
182	S	97.6	Very high	98.3	Very high	123 Å²	123	60.7 Å²	60.7	86%	0.86	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-4.9	179.1	60.1	0	0	0	0	115
183	R	97.5	Very high	98.3	Very high	171 Å²	171	62.3 Å²	62.3	65%	0.645	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	18.8	177.6	-60.7	178.1	-65.1	175.8	-1.7	111.8	D181 R185	D181-R183 PolarHBondContact O-N 3.01Å; D181-R183 WeakPolarHBondContact OD1-CA 3.3Å; D181-R183 WeakPolarHBondContact OD1-CB 3.17Å; D181-R183 PolarHBondContact OD1-N 3.42Å; D181-R183 IonicContact OD2-CZ 3.93Å; D181-R183 IonicContact OD2-NE 3.61Å; D181-R183 IonicContact OD2-NH2 2.83Å; D181-R183 PolarHBondContact OD2-NH2 3.42Å; R183-R185 PolarHBondContact O-N 3.21Å
184	D	98.5	Very high	98.3	Very high	49 Å²	49	60 Å²	60	26%	0.262	33%	0.326	S	S	.	.	S	Bend	trans	63.5	16	-176.8	-48.2	-48.4	0	0	0	113.8	R88 V89 I90 D181	R88-D184 CarbonylContact C-O 3.44Å; R88-D184 WeakPolarHBondContact CA-O 3.41Å; R88-D184 HydrophobicContact CG-CB 3.82Å; R88-D184 IonicContact CZ-OD2 3.83Å; R88-D184 IonicContact NE-OD2 3.31Å; R88-D184 PolarHBondContact NE-OD2 2.76Å; R88-D184 IonicContact NH2-OD2 2.69Å; R88-D184 PolarHBondContact NH2-OD2 2.87Å; V89-D184 PolarHBondContact N-O 3.16Å; I90-D184 HydrophobicContact CD1-CB 4.36Å; I90-D184 WeakPolarHBondContact CD1-OD2 3.45Å; I90-D184 HydrophobicContact CG1-CB 3.74Å; D181-D184 PolarHBondContact O-N 2.88Å; D181-D184 VanDerWaalsContact O-N 3.12Å; D181-D184 PolarHBondContact OD1-N 2.96Å
185	R	98.4	Very high	98.3	Very high	123 Å²	123	56.9 Å²	56.9	46%	0.464	31%	0.312	S	S	.	.			trans	-84.9	128.6	178.3	179.3	178.1	171.7	162.8	-0	109.7	T180 D181 R183 V187	T180-R185 CarbonylContact C-O 3.59Å; T180-R185 WeakPolarHBondContact CA-O 3.43Å; T180-R185 WeakPolarHBondContact CB-O 3.23Å; D181-R185 PolarHBondContact N-O 3.17Å; D181-R185 WeakPolarHBondContact OD1-CB 3.48Å; D181-R185 PolarHBondContact OD1-N 3.2Å; R183-R185 PolarHBondContact O-N 3.21Å; R185-V187 PolarHBondContact O-N 3.14Å
186	P	98.4	Very high	98.3	Very high	8 Å²	8	57.1 Å²	57.1	5%	0.052	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-53	132.6	172	-29.7	38.1	0	0	0	112.5	V89 T180 K188 I190	V89-P186 HydrophobicContact CB-CG 3.88Å; V89-P186 HydrophobicContact CG2-CG 3.45Å; V89-P186 VanDerWaalsContact CG2-CG 3.45Å; T180-P186 HydrophobicContact CG2-CG 4.46Å; P186-K188 VanDerWaalsContact C-N 3.32Å; P186-K188 CarbonylContact C-O 3.52Å; P186-K188 VanDerWaalsContact CB-O 3.23Å; P186-K188 WeakPolarHBondContact CB-O 3.49Å; P186-I190 HydrophobicContact CB-CD1 3.79Å; P186-I190 HydrophobicContact CB-CG1 4.09Å; P186-I190 HydrophobicContact CG-CD1 3.84Å; P186-I190 HydrophobicContact CG-CG1 4.44Å
187	V	98.4	Very high	98.3	Very high	105 Å²	105	59.2 Å²	59.2	64%	0.636	33%	0.325	S	S	*	.	S	Bend	trans	-65.1	-41.6	175.3	174.2	0	0	0	0	110.1	T179 R185	T179-V187 HydrophobicContact CG2-CG2 4.1Å; T179-V187 PolarHBondContact O-N 2.94Å; R185-V187 PolarHBondContact O-N 3.14Å
188	K	98.2	Very high	98.4	Very high	81 Å²	81	57.5 Å²	57.5	35%	0.352	31%	0.309	S	S	.	.	S	Bend	trans	-81.5	144.6	170.6	-58	-166.6	-165.4	126.8	0	110.2	V40 D41 E178 P186 I190	V40-K188 HydrophobicContact CG1-CB 3.81Å; V40-K188 HydrophobicContact CG1-CD 3.6Å; V40-K188 HydrophobicContact CG1-CG 4.39Å; D41-K188 WeakPolarHBondContact OD1-CA 3.37Å; D41-K188 WeakPolarHBondContact OD2-CB 3.47Å; D41-K188 WeakPolarHBondContact OD2-CD 3.31Å; D41-K188 VanDerWaalsContact OD2-CG 3.23Å; D41-K188 WeakPolarHBondContact OD2-CG 3.42Å; E178-K188 IonicContact OE1-NZ 3.67Å; E178-K188 PolarHBondContact OE1-NZ 3.37Å; E178-K188 WeakPolarHBondContact OE2-CD 3.23Å; E178-K188 WeakPolarHBondContact OE2-CE 3.42Å; E178-K188 IonicContact OE2-NZ 2.85Å; E178-K188 PolarHBondContact OE2-NZ 2.88Å; P186-K188 VanDerWaalsContact C-N 3.32Å; P186-K188 CarbonylContact C-O 3.52Å; P186-K188 VanDerWaalsContact CB-O 3.23Å; P186-K188 WeakPolarHBondContact CB-O 3.49Å; K188-I190 PolarHBondContact O-N 3.22Å
189	S	98.1	Very high	98.3	Very high	54 Å²	54	60.7 Å²	60.7	38%	0.378	33%	0.332	S	S	.	.			trans	-74	114	174.2	-172.9	0	0	0	0	110.2	V40 D41	V40-S189 CarbonylContact C-O 3.56Å; V40-S189 WeakPolarHBondContact CA-O 3.21Å; D41-S189 PolarHBondContact N-O 2.95Å; D41-S189 PolarHBondContact OD1-N 2.9Å
190	I	98.7	Very high	98.3	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	109.3	176.7	-50.8	178.6	0	0	0	108.1	I38 E39 T85 F86 I175 E178 P186 K188	I38-I190 HydrophobicContact CG2-CG2 3.96Å; E39-I190 WeakPolarHBondContact O-CA 3.36Å; T85-I190 CarbonylContact C-O 3.56Å; T85-I190 WeakPolarHBondContact CA-O 3.31Å; T85-I190 WeakPolarHBondContact CB-O 3.41Å; F86-I190 HydrophobicContact CB-CB 4.32Å; F86-I190 HydrophobicContact CB-CG2 4.35Å; F86-I190 HydrophobicContact CD2-CG2 3.82Å; F86-I190 HydrophobicContact CG-CG2 4.44Å; F86-I190 PolarHBondContact N-O 3.31Å; I175-I190 HydrophobicContact CB-CD1 4.35Å; I175-I190 HydrophobicContact CD1-CG2 4Å; I175-I190 HydrophobicContact CG1-CD1 4.5Å; I175-I190 HydrophobicContact CG1-CG2 3.83Å; I175-I190 HydrophobicContact CG2-CD1 3.71Å; I175-I190 HydrophobicContact CG2-CG2 4.15Å; E178-I190 HydrophobicContact CB-CD1 4.01Å; E178-I190 HydrophobicContact CG-CD1 3.83Å; P186-I190 HydrophobicContact CB-CD1 3.79Å; P186-I190 HydrophobicContact CB-CG1 4.09Å; P186-I190 HydrophobicContact CG-CD1 3.84Å; P186-I190 HydrophobicContact CG-CG1 4.44Å; K188-I190 PolarHBondContact O-N 3.22Å
191	K	98.7	Very high	98.2	Very high	62 Å²	62	63.8 Å²	63.8	27%	0.27	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.6	-168.8	-172.4	-167.6	-64.5	151.1	0	111.6	I38 E39 S84 T85 A193	I38-K191 WeakPolarHBondContact CA-O 3.5Å; E39-K191 HydrophobicContact CB-CB 4.49Å; E39-K191 PolarHBondContact N-O 3.37Å; E39-K191 PolarHBondContact O-N 2.78Å; E39-K191 IonicContact OE1-NZ 3.76Å; E39-K191 PolarHBondContact OE1-NZ 3.08Å; S84-K191 WeakPolarHBondContact O-CA 3.21Å; S84-K191 WeakPolarHBondContact O-CG 3.06Å; T85-K191 HydrophobicContact CG2-CB 4.42Å; K191-A193 PolarHBondContact O-N 3.2Å
192	I	98.9	Very high	98.1	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	91.8	163.5	-58.3	173.1	0	0	0	107.2	F36 D37 I38 G83 S84 F86 F145 S194 C195	F36-I192 HydrophobicContact CB-CG1 4.46Å; F36-I192 HydrophobicContact CB-CG2 4.06Å; F36-I192 HydrophobicContact CD1-CD1 4.2Å; F36-I192 HydrophobicContact CD1-CG2 3.77Å; F36-I192 HydrophobicContact CD2-CD1 3.99Å; F36-I192 HydrophobicContact CE1-CD1 4.29Å; F36-I192 HydrophobicContact CE1-CG2 4.49Å; F36-I192 HydrophobicContact CE2-CD1 4.05Å; F36-I192 HydrophobicContact CG-CD1 4.08Å; F36-I192 HydrophobicContact CG-CG1 4.32Å; F36-I192 HydrophobicContact CG-CG2 4.04Å; F36-I192 HydrophobicContact CZ-CD1 4.2Å; D37-I192 CarbonylContact O-C 3.37Å; I38-I192 HydrophobicContact CD1-CG1 4.19Å; G83-I192 PolarHBondContact N-O 2.91Å; S84-I192 PolarHBondContact O-N 2.98Å; F86-I192 HydrophobicContact CE2-CD1 4.18Å; F86-I192 HydrophobicContact CE2-CG1 3.77Å; F86-I192 HydrophobicContact CZ-CD1 4.31Å; F86-I192 HydrophobicContact CZ-CG1 4.34Å; F145-I192 HydrophobicContact CZ-CD1 4.12Å; I192-S194 VanDerWaalsContact C-N 3.34Å; I192-S194 WeakPolarHBondContact CG2-O 3.27Å; I192-C195 HydrophobicContact CG2-CB 3.77Å
193	A	98.6	Very high	98.1	Very high	34 Å²	34	64.1 Å²	64.1	28%	0.281	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	-35.1	-176.2	0	0	0	0	0	112.4	D37 E39 K82 K191	D37-A193 PolarHBondContact O-N 2.8Å; E39-A193 HydrophobicContact CB-CB 3.96Å; K82-A193 WeakPolarHBondContact CE-O 3.09Å; K191-A193 PolarHBondContact O-N 3.2Å
194	S	98.6	Very high	98.1	Very high	40 Å²	40	60 Å²	60	28%	0.28	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.4	173.8	-168	0	0	0	0	110	D37 I192	D37-S194 PolarHBondContact N-O 2.83Å; D37-S194 PolarHBondContact O-N 3.4Å; I192-S194 VanDerWaalsContact C-N 3.34Å; I192-S194 WeakPolarHBondContact CG2-O 3.27Å
195	C	98.8	Very high	98	Very high	15 Å²	15	59 Å²	59	10%	0.101	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	161.9	176.9	58.1	0	0	0	0	110.6	F35 F36 S68 K82 I192	F35-C195 VanDerWaalsContact CZ-C 3.49Å; F35-C195 WeakPolarHBondContact O-CA 3.5Å; F35-C195 WeakPolarHBondContact O-CB 3.26Å; F36-C195 HydrophobicContact CD1-CB 3.51Å; F36-C195 HydrophobicContact CE1-CB 3.84Å; S68-C195 CarbonylContact O-C 3.53Å; S68-C195 PolarHBondContact O-SG 3.23Å; K82-C195 PolarHBondContact N-SG 3.16Å; K82-C195 VanDerWaalsContact N-SG 3.37Å; I192-C195 HydrophobicContact CG2-CB 3.77Å
196	G	98.7	Very high	97.8	Very high	7 Å²	7	53.8 Å²	53.8	7%	0.072	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-180	174.6	178	0	0	0	0	0	113.3	V34 F35 S68	V34-G196 CarbonylContact C-O 3.56Å; V34-G196 WeakPolarHBondContact CA-O 3.34Å; V34-G196 WeakPolarHBondContact CB-O 3.45Å; F35-G196 WeakPolarHBondContact CD1-O 3.39Å; F35-G196 PolarHBondContact N-O 2.9Å; F35-G196 PolarHBondContact O-N 2.96Å; S68-G196 VanDerWaalsContact O-CA 3.3Å; S68-G196 WeakPolarHBondContact O-CA 3.46Å; S68-G196 PolarHBondContact O-N 3.46Å
197	H	98.7	Very high	97.6	Very high	59 Å²	59	56.7 Å²	56.7	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	144.5	175.1	171	-118.4	0	0	0	111.5	D32 K33 K65 I69	D32-H197 IonicContact OD1-CD2 2.79Å; D32-H197 IonicContact OD1-CE1 3.73Å; D32-H197 IonicContact OD1-NE2 3.08Å; D32-H197 PolarHBondContact OD1-NE2 3.39Å; K33-H197 PolarHBondContact O-CD2 3.3Å; K33-H197 VanDerWaalsContact O-CD2 3.29Å; K65-H197 HydrophobicContact CG-CB 4.17Å; I69-H197 HydrophobicContact CD1-CB 3.79Å; 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%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	114.5	171.5	-59.2	174	0	0	0	106.9	K33 F35 I49	K33-I198 HydrophobicContact CB-CB 3.86Å; K33-I198 HydrophobicContact CB-CG2 4.34Å; K33-I198 PolarHBondContact N-O 3.39Å; K33-I198 PolarHBondContact O-N 2.96Å; F35-I198 HydrophobicContact CB-CD1 3.97Å; F35-I198 HydrophobicContact CD1-CD1 3.94Å; F35-I198 HydrophobicContact CD1-CG1 3.88Å; F35-I198 HydrophobicContact CG-CD1 4.38Å; I49-I198 HydrophobicContact CD1-CD1 4.2Å; I49-I198 HydrophobicContact CG2-CD1 4.34Å
199	P	97.3	Very high	97.1	Very high	95 Å²	95	54.9 Å²	54.9	62%	0.617	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	147	176.3	-25.1	34.3	0	0	0	112.7
200	V	98.2	Very high	97.1	Very high	26 Å²	26	56.2 Å²	56.2	16%	0.158	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	107.7	171	177.1	0	0	0	0	107.6	V30 T31 K33 I202 F204	V30-V200 HydrophobicContact CG1-CG2 4.34Å; T31-V200 WeakPolarHBondContact O-CB 3.47Å; K33-V200 HydrophobicContact CB-CG2 4.25Å; K33-V200 HydrophobicContact CD-CG2 4.29Å; K33-V200 HydrophobicContact CG-CG2 3.75Å; V200-I202 WeakPolarHBondContact CG1-O 3.44Å; V200-F204 HydrophobicContact CG1-CD1 4.03Å; V200-F204 HydrophobicContact CG1-CE1 4.04Å
201	E	95.8	Very high	97	Very high	191 Å²	191	56.7 Å²	56.7	89%	0.893	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	-42.1	-176.4	-64.1	-178.5	175.6	0	0	112.3
202	I	96.6	Very high	96.4	Very high	136 Å²	136	59.1 Å²	59.1	70%	0.697	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	112.4	179.5	-56.7	177	0	0	0	108.5	V200 F204	V200-I202 WeakPolarHBondContact CG1-O 3.44Å; I202-F204 PolarHBondContact O-N 3.36Å
203	P	97.1	Very high	95.7	Very high	46 Å²	46	66 Å²	66	30%	0.299	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.1	177.2	-27.4	35.2	0	0	0	112.4	K29 V30 T31	K29-P203 HydrophobicContact CB-CB 4.43Å; V30-P203 WeakPolarHBondContact O-CA 3.4Å; V30-P203 WeakPolarHBondContact O-CB 3.27Å; T31-P203 HydrophobicContact CG2-CB 4.46Å; T31-P203 HydrophobicContact CG2-CG 4.48Å
204	F	96.8	Very high	95.5	Very high	84 Å²	84	67.6 Å²	67.6	37%	0.368	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.8	-178.9	63.7	-87.6	0	0	0	110.8	K29 V30 V200 I202 V206	K29-F204 CarbonylContact C-O 3.52Å; K29-F204 WeakPolarHBondContact CA-O 3.47Å; 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 3.97Å; V30-F204 HydrophobicContact CB-CZ 3.7Å; V30-F204 HydrophobicContact CG1-CE1 3.79Å; V30-F204 HydrophobicContact CG1-CE2 4.44Å; V30-F204 HydrophobicContact CG1-CZ 3.69Å; V30-F204 HydrophobicContact CG2-CE2 3.95Å; V30-F204 HydrophobicContact CG2-CZ 4.01Å; V30-F204 PolarHBondContact N-O 3.1Å; V30-F204 PolarHBondContact O-N 2.77Å; V200-F204 HydrophobicContact CG1-CD1 4.03Å; V200-F204 HydrophobicContact CG1-CE1 4.04Å; I202-F204 PolarHBondContact O-N 3.36Å; F204-V206 HydrophobicContact CD2-CG1 4.5Å; F204-V206 HydrophobicContact CE2-CG1 4.03Å
205	S	96.4	Very high	95.4	Very high	28 Å²	28	69 Å²	69	20%	0.196	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	143.2	178.1	-56.9	0	0	0	0	111.6	A25 P28	A25-S205 WeakPolarHBondContact O-CB 3.35Å; A25-S205 PolarHBondContact O-OG 3.27Å; P28-S205 WeakPolarHBondContact O-CA 3.3Å
206	V	95.5	Very high	95.2	Very high	15 Å²	15	72 Å²	72	9%	0.091	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-99.3	157.2	166.7	-65.8	0	0	0	0	110.5	G27 P28 V30 F53 K164 V166 F204	G27-V206 WeakPolarHBondContact CA-O 3.5Å; G27-V206 PolarHBondContact N-O 3.34Å; P28-V206 HydrophobicContact CG-CG2 4.07Å; P28-V206 PolarHBondContact O-N 3.02Å; V30-V206 HydrophobicContact CG2-CG1 3.69Å; F53-V206 HydrophobicContact CE1-CG2 3.73Å; F53-V206 HydrophobicContact CZ-CG2 3.95Å; K164-V206 HydrophobicContact CD-CB 4.38Å; K164-V206 HydrophobicContact CD-CG2 4.17Å; V166-V206 HydrophobicContact CG1-CG1 4.24Å; F204-V206 HydrophobicContact CD2-CG1 4.5Å; F204-V206 HydrophobicContact CE2-CG1 4.03Å
207	T	94.3	Very high	95	Very high	68 Å²	68	75.8 Å²	75.8	42%	0.417	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-77.6	151.5	175.8	53.7	0	0	0	0	111.9	A25 K164 S209	A25-T207 HydrophobicContact CB-CG2 3.65Å; K164-T207 PolarHBondContact NZ-O 2.81Å; T207-S209 PolarHBondContact O-N 3.04Å; T207-S209 PolarHBondContact OG1-OG 3.01Å
208	N	92.7	Very high	94.7	Very high	94 Å²	94	76.9 Å²	76.9	50%	0.503	42%	0.42	S	S	.	.	S	Bend	trans	-78.3	50.3	170.1	-66.9	-27.3	0	0	0	112.1	V126	V126-N208 HydrophobicContact CG2-CB 4.36Å
209	S	93.4	Very high	94.5	Very high	54 Å²	54	79.2 Å²	79.2	38%	0.378	43%	0.434	S	S	.	.	S	Bend	trans	-124.7	-177.7	177	64.6	0	0	0	0	110.4	W130 K164 T207	W130-S209 PolarHBondContact NE1-O 3.03Å; K164-S209 WeakPolarHBondContact CE-O 3.44Å; K164-S209 PolarHBondContact NZ-O 3.19Å; T207-S209 PolarHBondContact O-N 3.04Å; T207-S209 PolarHBondContact OG1-OG 3.01Å
210	D	97.1	Very high	94.3	Very high	83 Å²	83	78.1 Å²	78.1	44%	0.444	42%	0.421	S	S	.	.			trans	-57	151.4	165	-66.2	-18.1	0	0	0	110.7	G127 A128 K164	G127-D210 WeakPolarHBondContact CA-OD1 3.43Å; A128-D210 HydrophobicContact CB-CB 4.16Å; A128-D210 PolarHBondContact N-OD1 2.97Å; K164-D210 PolarHBondContact NZ-O 2.86Å; K164-D210 VanDerWaalsContact NZ-O 3.16Å
211	A	95.5	Very high	94	Very high	12 Å²	12	82.1 Å²	82.1	10%	0.099	44%	0.441	C	S	.	.			trans	-70.9	136.3	158.9	0	0	0	0	0	108.7	A128 V165 M169	A128-A211 PolarHBondContact O-N 2.81Å; V165-A211 HydrophobicContact CB-CB 4.25Å; V165-A211 WeakPolarHBondContact O-CB 3.39Å; M169-A211 HydrophobicContact CB-CB 4.33Å; M169-A211 HydrophobicContact CG-CB 4.05Å; M169-A211 HydrophobicContact SD-CB 3.96Å
212	V	87.9	Confident	93.9	Very high	113 Å²	113	73 Å²	73	69%	0.685	40%	0.404	S	S	*	.			trans	-113.5	168.6	174.3	-62.1	0	0	0	0	108.4
213	E	83	Confident	93.6	Very high	143 Å²	143	67.3 Å²	67.3	67%	0.668	38%	0.377	S	S	*	.			trans	-65.6	0	166.6	-57.4	-40.3	131.6	0	0	112.6	M169 N170	M169-E213 WeakPolarHBondContact CB-OE1 3.28Å; M169-E213 PolarHBondContact N-OE2 2.95Å; N170-E213 WeakPolarHBondContact CA-OE1 3.05Å; N170-E213 HydrophobicContact CB-CG 4.12Å; N170-E213 WeakPolarHBondContact CB-OE1 3.36Å; N170-E213 VanDerWaalsContact CB-OE2 3.23Å; N170-E213 WeakPolarHBondContact CB-OE2 3.37Å; N170-E213 PolarHBondContact N-OE1 2.91Å; N170-E213 PolarHBondContact N-OE2 3.21Å; N170-E213 PolarHBondContact OD1-OE2 3.49Å

Retrieved 213 of 213 residues in 62.5 ms (Link to these results)

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