A0A077Z7S3_TRITR Loading...

Peptidyl-prolyl cis-trans isomerase

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

AlphaFold DB , UniProt , Accession A0A077Z7S3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 205 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.9	Very low	57	Low	236 Å²	236	164.2 Å²	164.2	100%	1.163	84%	0.837	S	S	*	*				0	91.1	0	-99.9	168.8	64.7	0	0	105.2
2	D	54.4	Low	57.2	Low	165 Å²	165	160.7 Å²	160.7	88%	0.882	83%	0.829	S	S	*	*			trans	-97.8	114	-177.2	-55.8	-26.2	0	0	0	106.7
3	S	62.2	Low	57.5	Low	112 Å²	112	154.9 Å²	154.9	78%	0.783	82%	0.82	S	S	*	*			trans	-128.5	113.2	174.4	-159.7	0	0	0	0	108.5	F5	S3-F5 PolarHBondContact O-N 3.16Å
4	W	58.4	Low	58	Low	236 Å²	236	152.3 Å²	152.3	89%	0.894	81%	0.813	S	S	*	*			trans	-62.2	124.7	-175.6	-79.5	-39.8	0	0	0	112.3	F6	W4-F6 PolarHBondContact O-N 3.22Å
5	F	63.6	Low	58.2	Low	204 Å²	204	150.1 Å²	150.1	90%	0.895	81%	0.807	S	S	*	*			trans	-72	110.3	166.3	-80.9	-92.7	0	0	0	109.9	S3 V7	S3-F5 PolarHBondContact O-N 3.16Å; F5-V7 PolarHBondContact O-N 3.31Å
6	F	58.7	Low	58.3	Low	198 Å²	198	147.9 Å²	147.9	87%	0.868	81%	0.805	S	S	*	*			trans	-73	104.1	166.6	-89	-92.9	0	0	0	109.5	W4 S8	W4-F6 PolarHBondContact O-N 3.22Å; F6-S8 PolarHBondContact O-N 2.9Å
7	V	55.8	Low	58.4	Low	127 Å²	127	149.9 Å²	149.9	77%	0.77	81%	0.805	S	S	*	*			trans	-83.8	99.5	167.8	-178.9	0	0	0	0	107.9	F5 L9	F5-V7 PolarHBondContact O-N 3.31Å; V7-L9 PolarHBondContact O-N 3.25Å
8	S	59.8	Low	58.5	Low	105 Å²	105	147.1 Å²	147.1	73%	0.734	81%	0.805	S	S	*	*			trans	-77	103.6	170.5	-171.4	0	0	0	0	109.1	F6 C10	F6-S8 PolarHBondContact O-N 2.9Å; S8-C10 PolarHBondContact O-N 2.61Å
9	L	56.1	Low	58.8	Low	131 Å²	131	147.9 Å²	147.9	69%	0.686	81%	0.807	S	S	*	*			trans	-80.3	90.9	176	-171.2	70.1	0	0	0	109.1	V7 F11	V7-L9 PolarHBondContact O-N 3.25Å; L9-F11 HydrophobicContact CD2-CD2 4.09Å; L9-F11 HydrophobicContact CD2-CE2 3.52Å; L9-F11 HydrophobicContact CD2-CZ 4.24Å; L9-F11 HydrophobicContact CG-CD2 4.25Å; L9-F11 HydrophobicContact CG-CE2 4.16Å; L9-F11 PolarHBondContact O-N 3.5Å
10	C	54.4	Low	59.3	Low	107 Å²	107	144.8 Å²	144.8	72%	0.723	80%	0.802	S	S	*	*			trans	-68.7	99.8	171.4	-74.4	0	0	0	0	110.1	S8 V12	S8-C10 PolarHBondContact O-N 2.61Å; C10-V12 PolarHBondContact O-N 3.16Å; C10-V12 VanDerWaalsContact O-N 3.11Å
11	F	55.4	Low	60	Low	185 Å²	185	146 Å²	146	81%	0.811	80%	0.801	S	S	*	*			trans	-69.4	100.1	166.7	-92.8	-89.8	0	0	0	109.7	L9 A13	L9-F11 HydrophobicContact CD2-CD2 4.09Å; L9-F11 HydrophobicContact CD2-CE2 3.52Å; L9-F11 HydrophobicContact CD2-CZ 4.24Å; L9-F11 HydrophobicContact CG-CD2 4.25Å; L9-F11 HydrophobicContact CG-CE2 4.16Å; L9-F11 PolarHBondContact O-N 3.5Å; F11-A13 PolarHBondContact O-N 3.18Å
12	V	59.7	Low	61.4	Low	122 Å²	122	142 Å²	142	74%	0.739	78%	0.78	S	S	*	*			trans	-80.5	94.3	167.4	-178.3	0	0	0	0	107.7	C10 T14	C10-V12 PolarHBondContact O-N 3.16Å; C10-V12 VanDerWaalsContact O-N 3.11Å; V12-T14 PolarHBondContact O-N 2.81Å
13	A	61.7	Low	62.7	Low	86 Å²	86	136.6 Å²	136.6	71%	0.711	75%	0.754	S	S	*	*			trans	-70.2	98.6	171.5	0	0	0	0	0	109.3	F11 V15	F11-A13 PolarHBondContact O-N 3.18Å; A13-V15 PolarHBondContact O-N 2.65Å
14	T	63.9	Low	63.8	Low	118 Å²	118	136.6 Å²	136.6	72%	0.724	75%	0.749	S	S	*	*			trans	-71	95.6	171.7	-41.4	0	0	0	0	108.7	V12 C16	V12-T14 PolarHBondContact O-N 2.81Å; T14-C16 VanDerWaalsContact C-N 3.33Å; T14-C16 PolarHBondContact O-N 2.93Å
15	V	61.4	Low	65.6	Low	120 Å²	120	126.5 Å²	126.5	73%	0.727	72%	0.718	S	S	*	*			trans	-70.6	94.2	171.6	-176.8	0	0	0	0	107.7	A13 K17	A13-V15 PolarHBondContact O-N 2.65Å; V15-K17 VanDerWaalsContact C-N 3.3Å; V15-K17 PolarHBondContact O-N 2.93Å
16	C	59.7	Low	67.2	Low	115 Å²	115	117.4 Å²	117.4	78%	0.777	68%	0.679	S	S	*	*			trans	-64.2	94	165.4	-69.3	0	0	0	0	107.6	T14 A18	T14-C16 VanDerWaalsContact C-N 3.33Å; T14-C16 PolarHBondContact O-N 2.93Å; C16-A18 PolarHBondContact O-N 2.89Å
17	K	60	Low	69.1	Low	182 Å²	182	113.3 Å²	113.3	79%	0.791	66%	0.662	S	S	*	*			trans	-63	106.6	165.9	-83	-176.7	175.6	179.9	0	106.7	V15 I19	V15-K17 VanDerWaalsContact C-N 3.3Å; V15-K17 PolarHBondContact O-N 2.93Å; K17-I19 PolarHBondContact O-N 3.17Å
18	A	60.5	Low	71.1	Confident	98 Å²	98	107.3 Å²	107.3	81%	0.81	63%	0.625	S	S	*	*			trans	-55.3	110	163	0	0	0	0	0	106.8	C16 A20	C16-A18 PolarHBondContact O-N 2.89Å; A18-A20 PolarHBondContact O-N 3.22Å
19	I	64.1	Low	73	Confident	164 Å²	164	103.6 Å²	103.6	84%	0.841	60%	0.598	S	S	*	*			trans	-72.3	99.9	177	-47.6	173.8	0	0	0	104.6	K17 E21	K17-I19 PolarHBondContact O-N 3.17Å; I19-E21 PolarHBondContact O-N 2.86Å
20	A	69.4	Low	75	Confident	85 Å²	85	100 Å²	100	70%	0.702	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-59.3	123.3	172.7	0	0	0	0	0	107.7	A18 E22	A18-A20 PolarHBondContact O-N 3.22Å; A20-E22 PolarHBondContact O-N 3.42Å
21	E	73.4	Confident	77.1	Confident	170 Å²	170	97.1 Å²	97.1	79%	0.794	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-63.2	122.3	178	-168.7	176.6	175.4	0	0	109.1	I19	I19-E21 PolarHBondContact O-N 2.86Å
22	E	76.2	Confident	79.2	Confident	153 Å²	153	88.3 Å²	88.3	72%	0.715	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-60.3	137.6	177.7	-75.3	-76	166.2	0	0	110	A20 T24	A20-E22 PolarHBondContact O-N 3.42Å; E22-T24 PolarHBondContact O-N 3.18Å
23	P	82.2	Confident	81	Confident	51 Å²	51	83.6 Å²	83.6	33%	0.331	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-52.4	127.3	179	-26.8	33.7	0	0	0	112.6	G25 A198 T200	P23-G25 PolarHBondContact O-N 2.85Å; P23-A198 HydrophobicContact CB-CB 4.12Å; P23-A198 WeakPolarHBondContact O-CB 3.38Å; P23-T200 HydrophobicContact CB-CG2 3.95Å
24	T	86.7	Confident	82.8	Confident	112 Å²	112	79.5 Å²	79.5	69%	0.687	45%	0.45	S	S	*	.			trans	-94.7	79.1	178.8	51.9	0	0	0	0	110.9	E22	E22-T24 PolarHBondContact O-N 3.18Å
25	G	94.6	Very high	84.5	Confident	24 Å²	24	75.7 Å²	75.7	25%	0.247	43%	0.425	C	S	.	.	S	Bend	trans	-160.7	-167.5	176.8	0	0	0	0	0	114.6	P23 V199	P23-G25 PolarHBondContact O-N 2.85Å; G25-V199 WeakPolarHBondContact CA-O 3.24Å
26	P	97.4	Very high	86.3	Confident	12 Å²	12	70.1 Å²	70.1	8%	0.078	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-61.9	144.5	-176.6	27.3	-34.1	0	0	0	110.8	F51 L116 W123 V199	P26-F51 HydrophobicContact CB-CB 4.47Å; P26-F51 HydrophobicContact CB-CD1 3.65Å; P26-F51 HydrophobicContact CB-CD2 4.15Å; P26-F51 HydrophobicContact CB-CE1 3.78Å; P26-F51 HydrophobicContact CB-CE2 4.27Å; P26-F51 HydrophobicContact CB-CG 3.82Å; P26-F51 HydrophobicContact CB-CZ 4.08Å; P26-F51 HydrophobicContact CG-CD1 4.01Å; P26-F51 HydrophobicContact CG-CD2 4.29Å; P26-F51 HydrophobicContact CG-CE1 3.59Å; P26-F51 HydrophobicContact CG-CE2 3.91Å; P26-F51 HydrophobicContact CG-CG 4.33Å; P26-F51 HydrophobicContact CG-CZ 3.52Å; P26-L116 HydrophobicContact CB-CD1 4.05Å; P26-L116 HydrophobicContact CB-CD2 3.95Å; P26-L116 HydrophobicContact CG-CD1 4.4Å; P26-L116 HydrophobicContact CG-CD2 4.14Å; P26-W123 HydrophobicContact CG-CH2 3.97Å; P26-W123 HydrophobicContact CG-CZ3 4.07Å; P26-V199 HydrophobicContact CG-CG2 4.02Å; P26-V199 PolarHBondContact O-N 3.43Å; P26-V199 VanDerWaalsContact O-N 3.13Å
27	K	98.2	Very high	88.1	Confident	113 Å²	113	65.4 Å²	65.4	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.7	-179.4	-67.5	-170.6	176.4	-172	0	110.9	T29 F51 P196 F197 A198	K27-T29 PolarHBondContact O-N 2.84Å; K27-F51 WeakPolarHBondContact O-CA 3.43Å; K27-P196 HydrophobicContact CB-CB 4.47Å; K27-F197 CarbonylContact C-O 3.48Å; K27-F197 VanDerWaalsContact CA-O 3.26Å; K27-F197 WeakPolarHBondContact CA-O 3.47Å; K27-A198 HydrophobicContact CG-CB 4.32Å
28	V	98.6	Very high	90	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.3	167.4	174.5	0	0	0	0	108.2	Q30 K31 L50 F51 L159 P196 F197 V199	V28-Q30 WeakPolarHBondContact CG1-O 3.48Å; V28-K31 HydrophobicContact CG1-CG 4.1Å; V28-L50 WeakPolarHBondContact CA-O 3.45Å; V28-F51 HydrophobicContact CG2-CD1 4.27Å; V28-F51 HydrophobicContact CG2-CE1 3.91Å; V28-L159 HydrophobicContact CG2-CD2 4.37Å; V28-P196 WeakPolarHBondContact O-CA 3.34Å; V28-P196 WeakPolarHBondContact O-CB 3.35Å; V28-F197 HydrophobicContact CB-CD1 4.29Å; V28-F197 HydrophobicContact CB-CD2 4.41Å; V28-F197 HydrophobicContact CB-CE1 3.84Å; V28-F197 HydrophobicContact CB-CE2 3.98Å; V28-F197 HydrophobicContact CB-CZ 3.67Å; V28-F197 HydrophobicContact CG1-CE1 3.73Å; V28-F197 HydrophobicContact CG1-CE2 4.45Å; V28-F197 HydrophobicContact CG1-CZ 3.68Å; V28-F197 HydrophobicContact CG2-CE2 3.97Å; V28-F197 HydrophobicContact CG2-CZ 4Å; V28-F197 PolarHBondContact N-O 2.79Å; V28-F197 PolarHBondContact O-N 3.37Å; V28-V199 HydrophobicContact CG2-CG1 3.78Å
29	T	98.7	Very high	91.8	Very high	28 Å²	28	54.8 Å²	54.8	17%	0.172	31%	0.306	C	S	.	.			trans	-113.9	-20.5	178	59.5	0	0	0	0	112.7	K27 L50 G52 N53 P196	K27-T29 PolarHBondContact O-N 2.84Å; T29-L50 PolarHBondContact N-O 3.45Å; T29-L50 PolarHBondContact OG1-O 2.97Å; T29-G52 WeakPolarHBondContact OG1-CA 3.4Å; T29-G52 PolarHBondContact OG1-N 3.43Å; T29-N53 HydrophobicContact CG2-CB 4.24Å; T29-P196 HydrophobicContact CG2-CB 4.16Å; T29-P196 HydrophobicContact CG2-CG 4.22Å
30	Q	98.7	Very high	93.4	Very high	55 Å²	55	49.9 Å²	49.9	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152.6	-179.8	-72.5	164.7	-2.8	0	0	108.4	V28 L50 V63	V28-Q30 WeakPolarHBondContact CG1-O 3.48Å; Q30-L50 HydrophobicContact CB-CB 4.2Å; Q30-L50 HydrophobicContact CB-CD1 4.27Å; Q30-L50 PolarHBondContact O-N 3.07Å; Q30-V63 HydrophobicContact CB-CG2 4.16Å; Q30-V63 VanDerWaalsContact OE1-CG2 3.31Å
31	K	98.8	Very high	94.8	Very high	47 Å²	47	51 Å²	51	20%	0.204	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.4	174	-77.9	-174.6	-58.5	178.3	0	110.3	V28 V47 I48 L159 E190 L191 R192 V193	V28-K31 HydrophobicContact CG1-CG 4.1Å; K31-V47 HydrophobicContact CD-CG1 4.12Å; K31-I48 CarbonylContact C-O 3.52Å; K31-I48 VanDerWaalsContact CA-O 3.24Å; K31-I48 WeakPolarHBondContact CA-O 3.17Å; K31-L159 HydrophobicContact CD-CD1 3.74Å; K31-L159 HydrophobicContact CG-CD1 3.95Å; K31-E190 WeakPolarHBondContact O-CA 3.48Å; K31-L191 HydrophobicContact CB-CB 3.83Å; K31-L191 PolarHBondContact O-N 3.11Å; K31-R192 VanDerWaalsContact CE-O 3.24Å; K31-R192 WeakPolarHBondContact CE-O 3.16Å; K31-V193 HydrophobicContact CB-CG2 3.96Å; K31-V193 HydrophobicContact CD-CG2 4.14Å; K31-V193 HydrophobicContact CG-CG2 3.62Å
32	V	98.9	Very high	96	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.7	170.2	167.4	0	0	0	0	108.8	F34 I48 L50 F62 V63 A66 G189	V32-F34 HydrophobicContact CG1-CD1 4.08Å; V32-F34 HydrophobicContact CG1-CE1 3.66Å; V32-F34 HydrophobicContact CG1-CZ 4.28Å; V32-I48 PolarHBondContact N-O 3.26Å; V32-I48 PolarHBondContact O-N 3.26Å; V32-L50 HydrophobicContact CB-CD1 4.49Å; V32-L50 HydrophobicContact CG2-CD1 3.8Å; V32-F62 HydrophobicContact CB-CD1 4.39Å; V32-F62 HydrophobicContact CB-CE1 4.09Å; V32-F62 HydrophobicContact CG1-CD1 4.46Å; V32-F62 HydrophobicContact CG1-CE1 3.91Å; V32-F62 HydrophobicContact CG2-CD1 4.12Å; V32-F62 HydrophobicContact CG2-CE1 4.32Å; V32-V63 HydrophobicContact CG2-CG2 3.89Å; V32-A66 HydrophobicContact CG1-CB 3.71Å; V32-A66 HydrophobicContact CG2-CB 4.11Å; V32-G189 CarbonylContact C-O 3.42Å; V32-G189 VanDerWaalsContact CA-O 3.28Å; V32-G189 WeakPolarHBondContact CA-O 3.37Å
33	F	98.9	Very high	97	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.096	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	149.6	169.7	74.6	-87.5	0	0	0	111.4	D35 R45 I46 C188 G189 L191	F33-D35 WeakPolarHBondContact CE2-OD2 3.22Å; F33-R45 HydrophobicContact CB-CG 4.13Å; F33-I46 CarbonylContact C-O 3.59Å; F33-I46 VanDerWaalsContact CA-O 3.22Å; F33-I46 WeakPolarHBondContact CA-O 3.48Å; F33-C188 WeakPolarHBondContact O-CA 3.48Å; F33-C188 WeakPolarHBondContact O-CB 3.18Å; F33-G189 WeakPolarHBondContact CD1-O 3.31Å; F33-G189 VanDerWaalsContact CE1-CA 3.49Å; F33-G189 PolarHBondContact N-O 2.96Å; F33-G189 PolarHBondContact O-N 3.16Å; F33-L191 HydrophobicContact CB-CD1 4.06Å; F33-L191 HydrophobicContact CB-CG 4.27Å; F33-L191 HydrophobicContact CD1-CD1 4.44Å; F33-L191 HydrophobicContact CD1-CD2 3.67Å; F33-L191 HydrophobicContact CD1-CG 3.79Å; F33-L191 HydrophobicContact CE1-CD2 4.2Å; F33-L191 HydrophobicContact CG-CD2 4.49Å; F33-L191 HydrophobicContact CG-CG 4.47Å
34	F	98.9	Very high	97.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.3	167.2	-64.9	-25.6	0	0	0	109.9	V32 I36 R45 I46 I48 F62 Y74 F138 I185 C188	V32-F34 HydrophobicContact CG1-CD1 4.08Å; V32-F34 HydrophobicContact CG1-CE1 3.66Å; V32-F34 HydrophobicContact CG1-CZ 4.28Å; F34-I36 HydrophobicContact CB-CD1 3.75Å; F34-I36 HydrophobicContact CB-CG1 4.5Å; F34-R45 CarbonylContact O-C 3.59Å; F34-R45 VanDerWaalsContact O-CA 3.28Å; F34-R45 WeakPolarHBondContact O-CA 3.24Å; F34-I46 HydrophobicContact CB-CB 4.5Å; F34-I46 PolarHBondContact N-O 3.35Å; F34-I46 PolarHBondContact O-N 2.92Å; F34-I48 HydrophobicContact CD2-CD1 4.01Å; F34-I48 HydrophobicContact CE2-CD1 3.87Å; F34-F62 HydrophobicContact CE1-CE1 4.5Å; F34-F62 HydrophobicContact CE1-CZ 4.43Å; F34-F62 AromaticContact CE2-CZ 3.85Å; F34-F62 HydrophobicContact CE2-CZ 3.85Å; F34-F62 AromaticContact CZ-CE1 3.84Å; F34-F62 HydrophobicContact CZ-CE1 3.84Å; F34-F62 HydrophobicContact CZ-CE2 4.32Å; F34-F62 AromaticContact CZ-CZ 3.4Å; F34-F62 HydrophobicContact CZ-CZ 3.4Å; F34-Y74 AromaticContact CE1-CD2 3.99Å; F34-Y74 HydrophobicContact CE1-CD2 3.99Å; F34-Y74 HydrophobicContact CE1-CG 4.38Å; F34-Y74 AromaticContact CZ-CD2 3.9Å; F34-Y74 HydrophobicContact CZ-CD2 3.9Å; F34-Y74 HydrophobicContact CZ-CE2 4.46Å; F34-Y74 HydrophobicContact CZ-CG 4.28Å; F34-F138 HydrophobicContact CE2-CE1 4.26Å; F34-F138 HydrophobicContact CE2-CE2 4.02Å; F34-F138 AromaticContact CE2-CZ 3.52Å; F34-F138 HydrophobicContact CE2-CZ 3.52Å; F34-F138 HydrophobicContact CZ-CE1 4.31Å; F34-F138 HydrophobicContact CZ-CZ 4.02Å; F34-I185 HydrophobicContact CB-CG2 4.05Å; F34-I185 HydrophobicContact CD1-CD1 4.28Å; F34-I185 HydrophobicContact CD1-CG2 3.69Å; F34-I185 HydrophobicContact CD2-CD1 3.97Å; F34-I185 HydrophobicContact CD2-CG1 4.39Å; F34-I185 HydrophobicContact CE1-CD1 4.23Å; F34-I185 HydrophobicContact CE1-CG2 4.32Å; F34-I185 HydrophobicContact CE2-CD1 3.9Å; F34-I185 HydrophobicContact CG-CD1 4.16Å; F34-I185 HydrophobicContact CG-CG1 4.32Å; F34-I185 HydrophobicContact CG-CG2 3.96Å; F34-I185 HydrophobicContact CZ-CD1 4.03Å; F34-C188 HydrophobicContact CD1-CB 3.47Å; F34-C188 VanDerWaalsContact CD1-CB 3.47Å; F34-C188 HydrophobicContact CE1-CB 3.79Å
35	D	98.9	Very high	98.4	Very high	38 Å²	38	44.6 Å²	44.6	20%	0.203	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.6	167.1	-64.7	-32.6	0	0	0	108.3	F33 R45 I185 A186 N187	F33-D35 WeakPolarHBondContact CE2-OD2 3.22Å; D35-R45 VanDerWaalsContact CG-NH2 3.3Å; D35-R45 IonicContact OD1-CZ 3.54Å; D35-R45 VanDerWaalsContact OD1-CZ 3.23Å; D35-R45 IonicContact OD1-NE 3.82Å; D35-R45 PolarHBondContact OD1-NE 3.12Å; D35-R45 IonicContact OD1-NH2 2.74Å; D35-R45 PolarHBondContact OD1-NH2 3.26Å; D35-R45 IonicContact OD2-CZ 3.56Å; D35-R45 IonicContact OD2-NE 3.83Å; D35-R45 IonicContact OD2-NH2 3.67Å; D35-R45 PolarHBondContact OD2-NH2 2.92Å; D35-I185 CarbonylContact O-C 3.59Å; D35-A186 PolarHBondContact O-N 3Å; D35-N187 HydrophobicContact CB-CB 4.05Å; D35-N187 PolarHBondContact N-O 3.05Å
36	I	98.9	Very high	98.6	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.3	-169.9	-55	-56.5	0	0	0	110.9	F34 I38 V43 G44 I46 F79 V164 I168 V183 V184 I185	F34-I36 HydrophobicContact CB-CD1 3.75Å; F34-I36 HydrophobicContact CB-CG1 4.5Å; I36-I38 HydrophobicContact CG2-CG1 4.45Å; I36-V43 HydrophobicContact CB-CG2 3.79Å; I36-V43 HydrophobicContact CG2-CG2 3.56Å; I36-V43 WeakPolarHBondContact O-CG2 3.48Å; I36-V43 PolarHBondContact O-N 3.47Å; I36-G44 PolarHBondContact N-O 3.08Å; I36-I46 HydrophobicContact CD1-CD1 4.27Å; I36-I46 HydrophobicContact CG1-CD1 3.86Å; I36-I46 HydrophobicContact CG1-CG1 4.23Å; I36-F79 HydrophobicContact CD1-CE2 3.84Å; I36-V164 HydrophobicContact CB-CG1 3.93Å; I36-V164 HydrophobicContact CG1-CG1 3.89Å; I36-V164 HydrophobicContact CG2-CG1 4.32Å; I36-I168 HydrophobicContact CG1-CD1 4.35Å; I36-I168 HydrophobicContact CG2-CD1 4.01Å; I36-I168 HydrophobicContact CG2-CG1 4.29Å; I36-V183 HydrophobicContact CG2-CG1 3.86Å; I36-V184 WeakPolarHBondContact CA-O 3.14Å; I36-I185 HydrophobicContact CD1-CG1 4.03Å
37	T	98.9	Very high	98.7	Very high	17 Å²	17	43 Å²	43	10%	0.104	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	149	163.2	60.6	0	0	0	0	111.4	N41 E42 V183 V184 A186	T37-N41 CarbonylContact C-O 3.5Å; T37-N41 WeakPolarHBondContact CA-O 3.5Å; T37-N41 WeakPolarHBondContact CB-O 3.39Å; T37-E42 HydrophobicContact CG2-CG 3.97Å; T37-V183 CarbonylContact O-C 3.48Å; T37-V183 WeakPolarHBondContact O-CA 3.23Å; T37-V184 PolarHBondContact N-O 2.97Å; T37-V184 PolarHBondContact O-N 3.01Å; T37-A186 HydrophobicContact CG2-CB 3.82Å
38	I	98.7	Very high	98.7	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.087	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.3	170.9	-56.9	-176.9	0	0	0	107.4	I36 G40 N41 V43 K167 I168 T171 E181 D182 V183	I36-I38 HydrophobicContact CG2-CG1 4.45Å; I38-G40 PolarHBondContact O-N 3.28Å; I38-G40 VanDerWaalsContact O-N 3.16Å; I38-N41 PolarHBondContact N-O 2.81Å; I38-N41 PolarHBondContact O-N 2.83Å; I38-V43 HydrophobicContact CB-CG1 4.02Å; I38-V43 HydrophobicContact CD1-CB 4.47Å; I38-V43 HydrophobicContact CD1-CG1 3.98Å; I38-V43 HydrophobicContact CD1-CG2 4.03Å; I38-V43 HydrophobicContact CG1-CB 4.46Å; I38-V43 HydrophobicContact CG1-CG1 3.84Å; I38-V43 HydrophobicContact CG1-CG2 3.84Å; I38-K167 HydrophobicContact CD1-CB 4.42Å; I38-I168 HydrophobicContact CD1-CG1 4.43Å; I38-T171 HydrophobicContact CD1-CG2 3.95Å; I38-T171 HydrophobicContact CG2-CG2 4.2Å; I38-E181 HydrophobicContact CG2-CB 4.17Å; I38-D182 WeakPolarHBondContact CA-O 3.28Å; I38-V183 HydrophobicContact CG1-CG1 4.32Å; I38-V183 HydrophobicContact CG1-CG2 4.18Å; I38-V183 HydrophobicContact CG2-CG2 4.43Å
39	G	98.2	Very high	98.7	Very high	39 Å²	39	37.7 Å²	37.7	40%	0.402	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	27.2	-175.8	0	0	0	0	0	113.1	N41 D182	G39-N41 VanDerWaalsContact C-N 3.35Å; G39-D182 PolarHBondContact N-O 3.32Å
40	G	98.1	Very high	98.7	Very high	61 Å²	61	36.3 Å²	36.3	63%	0.629	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.4	-8.3	-175.9	0	0	0	0	0	115.6	I38	I38-G40 PolarHBondContact O-N 3.28Å; I38-G40 VanDerWaalsContact O-N 3.16Å
41	N	98.6	Very high	98.7	Very high	108 Å²	108	33.7 Å²	33.7	58%	0.578	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.8	178.8	-57.8	-64.9	0	0	0	111.1	T37 I38 G39 V43	T37-N41 CarbonylContact C-O 3.5Å; T37-N41 WeakPolarHBondContact CA-O 3.5Å; T37-N41 WeakPolarHBondContact CB-O 3.39Å; I38-N41 PolarHBondContact N-O 2.81Å; I38-N41 PolarHBondContact O-N 2.83Å; G39-N41 VanDerWaalsContact C-N 3.35Å; N41-V43 PolarHBondContact O-N 3.4Å
42	E	98.6	Very high	98.7	Very high	179 Å²	179	32 Å²	32	84%	0.836	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	126.6	174.2	-65.5	-177	176.1	0	0	111.1	T37	T37-E42 HydrophobicContact CG2-CG 3.97Å
43	V	98.5	Very high	98.7	Very high	31 Å²	31	37.4 Å²	37.4	19%	0.188	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	-12.8	-177.7	-64.8	0	0	0	0	114.2	I36 I38 N41 V164 K167	I36-V43 HydrophobicContact CB-CG2 3.79Å; I36-V43 HydrophobicContact CG2-CG2 3.56Å; I36-V43 WeakPolarHBondContact O-CG2 3.48Å; I36-V43 PolarHBondContact O-N 3.47Å; I38-V43 HydrophobicContact CB-CG1 4.02Å; I38-V43 HydrophobicContact CD1-CB 4.47Å; I38-V43 HydrophobicContact CD1-CG1 3.98Å; I38-V43 HydrophobicContact CD1-CG2 4.03Å; I38-V43 HydrophobicContact CG1-CB 4.46Å; I38-V43 HydrophobicContact CG1-CG1 3.84Å; I38-V43 HydrophobicContact CG1-CG2 3.84Å; N41-V43 PolarHBondContact O-N 3.4Å; V43-V164 HydrophobicContact CG2-CG1 3.94Å; V43-K167 HydrophobicContact CB-CD 4.26Å; V43-K167 PolarHBondContact O-NZ 3.27Å
44	G	98.7	Very high	98.7	Very high	33 Å²	33	37.8 Å²	37.8	34%	0.34	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	139.9	-174.7	173.5	0	0	0	0	0	113.8	I36	I36-G44 PolarHBondContact N-O 3.08Å
45	R	98.8	Very high	98.7	Very high	109 Å²	109	37.8 Å²	37.8	41%	0.411	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.6	178.7	174	171.6	-72.9	-177.6	-1	110.9	F33 F34 D35 V47 G161	F33-R45 HydrophobicContact CB-CG 4.13Å; F34-R45 CarbonylContact O-C 3.59Å; F34-R45 VanDerWaalsContact O-CA 3.28Å; F34-R45 WeakPolarHBondContact O-CA 3.24Å; D35-R45 VanDerWaalsContact CG-NH2 3.3Å; D35-R45 IonicContact OD1-CZ 3.54Å; D35-R45 VanDerWaalsContact OD1-CZ 3.23Å; D35-R45 IonicContact OD1-NE 3.82Å; D35-R45 PolarHBondContact OD1-NE 3.12Å; D35-R45 IonicContact OD1-NH2 2.74Å; D35-R45 PolarHBondContact OD1-NH2 3.26Å; D35-R45 IonicContact OD2-CZ 3.56Å; D35-R45 IonicContact OD2-NE 3.83Å; D35-R45 IonicContact OD2-NH2 3.67Å; D35-R45 PolarHBondContact OD2-NH2 2.92Å; R45-V47 HydrophobicContact CG-CG2 4.12Å; R45-G161 WeakPolarHBondContact O-CA 3.48Å
46	I	98.9	Very high	98.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.7	166	-56.3	168	0	0	0	107.5	F33 F34 I36 I48 V158 E160 V164 V165 I168	F33-I46 CarbonylContact C-O 3.59Å; F33-I46 VanDerWaalsContact CA-O 3.22Å; F33-I46 WeakPolarHBondContact CA-O 3.48Å; F34-I46 HydrophobicContact CB-CB 4.5Å; F34-I46 PolarHBondContact N-O 3.35Å; F34-I46 PolarHBondContact O-N 2.92Å; I36-I46 HydrophobicContact CD1-CD1 4.27Å; I36-I46 HydrophobicContact CG1-CD1 3.86Å; I36-I46 HydrophobicContact CG1-CG1 4.23Å; I46-I48 HydrophobicContact CG2-CD1 4.32Å; I46-I48 HydrophobicContact CG2-CG1 3.81Å; I46-V158 HydrophobicContact CG2-CG1 4.1Å; I46-V158 HydrophobicContact CG2-CG2 4.14Å; I46-E160 WeakPolarHBondContact CA-O 3.43Å; I46-V164 HydrophobicContact CD1-CB 4.44Å; I46-V164 HydrophobicContact CD1-CG1 4.17Å; I46-V164 HydrophobicContact CG1-CB 3.9Å; I46-V164 HydrophobicContact CG1-CG1 3.97Å; I46-V165 HydrophobicContact CD1-CG2 3.69Å; I46-V165 HydrophobicContact CG1-CG2 4.13Å; I46-V165 HydrophobicContact CG2-CG2 4.31Å; I46-I168 HydrophobicContact CD1-CD1 4.11Å
47	V	98.9	Very high	98.6	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128	170.6	-179.2	0	0	0	0	108.5	K31 R45 L159 E160 L191	K31-V47 HydrophobicContact CD-CG1 4.12Å; R45-V47 HydrophobicContact CG-CG2 4.12Å; V47-L159 HydrophobicContact CG1-CB 4.43Å; V47-L159 HydrophobicContact CG1-CD1 4.4Å; V47-L159 PolarHBondContact O-N 2.97Å; V47-E160 HydrophobicContact CB-CB 3.95Å; V47-E160 HydrophobicContact CB-CG 4.37Å; V47-E160 HydrophobicContact CG2-CB 4.11Å; V47-E160 PolarHBondContact N-O 2.87Å; V47-E160 PolarHBondContact O-N 3.39Å; V47-L191 HydrophobicContact CG1-CD1 3.93Å; V47-L191 HydrophobicContact CG2-CD1 4.17Å
48	I	98.9	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.2	-175.3	-49	172.7	0	0	0	109.1	K31 V32 F34 I46 L50 F62 L124 I140 K157	K31-I48 CarbonylContact C-O 3.52Å; K31-I48 VanDerWaalsContact CA-O 3.24Å; K31-I48 WeakPolarHBondContact CA-O 3.17Å; V32-I48 PolarHBondContact N-O 3.26Å; V32-I48 PolarHBondContact O-N 3.26Å; F34-I48 HydrophobicContact CD2-CD1 4.01Å; F34-I48 HydrophobicContact CE2-CD1 3.87Å; I46-I48 HydrophobicContact CG2-CD1 4.32Å; I46-I48 HydrophobicContact CG2-CG1 3.81Å; I48-L50 HydrophobicContact CG2-CD2 3.99Å; I48-F62 HydrophobicContact CD1-CE1 4.49Å; I48-F62 HydrophobicContact CD1-CZ 4.37Å; I48-L124 HydrophobicContact CD1-CD2 4.35Å; I48-L124 HydrophobicContact CG2-CB 4.37Å; I48-L124 HydrophobicContact CG2-CD2 3.78Å; I48-I140 HydrophobicContact CD1-CD1 4.29Å; I48-K157 WeakPolarHBondContact CG2-O 3.04Å
49	G	98.8	Very high	98.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138.1	169.1	0	0	0	0	0	110.8	G156 K157	G49-G156 CarbonylContact O-C 3.52Å; G49-G156 WeakPolarHBondContact O-CA 3.19Å; G49-K157 PolarHBondContact N-O 3.02Å; G49-K157 PolarHBondContact O-N 3.44Å
50	L	98.9	Very high	98.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.8	-175.2	-53.9	177	0	0	0	111.2	V28 T29 Q30 V32 I48 G52 T59 F62 V63 L124 F155	V28-L50 WeakPolarHBondContact CA-O 3.45Å; T29-L50 PolarHBondContact N-O 3.45Å; T29-L50 PolarHBondContact OG1-O 2.97Å; Q30-L50 HydrophobicContact CB-CB 4.2Å; Q30-L50 HydrophobicContact CB-CD1 4.27Å; Q30-L50 PolarHBondContact O-N 3.07Å; V32-L50 HydrophobicContact CB-CD1 4.49Å; V32-L50 HydrophobicContact CG2-CD1 3.8Å; I48-L50 HydrophobicContact CG2-CD2 3.99Å; L50-G52 PolarHBondContact O-N 3.45Å; L50-T59 HydrophobicContact CB-CG2 3.78Å; L50-F62 HydrophobicContact CD1-CD1 4.01Å; L50-F62 HydrophobicContact CD2-CD1 4.07Å; L50-F62 HydrophobicContact CD2-CE1 4.37Å; L50-V63 HydrophobicContact CD1-CG2 3.36Å; L50-L124 HydrophobicContact CD2-CD2 3.91Å; L50-F155 WeakPolarHBondContact CA-O 3.3Å; L50-F155 HydrophobicContact CD2-CD2 4.06Å; L50-F155 HydrophobicContact CD2-CE2 4.11Å
51	F	98.7	Very high	98.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.			trans	-93.8	62	-171.4	-50.7	-46.5	0	0	0	113.2	P26 K27 V28 N53 T54 V55 L116 W123 F155 G156 K157 V199	P26-F51 HydrophobicContact CB-CB 4.47Å; P26-F51 HydrophobicContact CB-CD1 3.65Å; P26-F51 HydrophobicContact CB-CD2 4.15Å; P26-F51 HydrophobicContact CB-CE1 3.78Å; P26-F51 HydrophobicContact CB-CE2 4.27Å; P26-F51 HydrophobicContact CB-CG 3.82Å; P26-F51 HydrophobicContact CB-CZ 4.08Å; P26-F51 HydrophobicContact CG-CD1 4.01Å; P26-F51 HydrophobicContact CG-CD2 4.29Å; P26-F51 HydrophobicContact CG-CE1 3.59Å; P26-F51 HydrophobicContact CG-CE2 3.91Å; P26-F51 HydrophobicContact CG-CG 4.33Å; P26-F51 HydrophobicContact CG-CZ 3.52Å; K27-F51 WeakPolarHBondContact O-CA 3.43Å; V28-F51 HydrophobicContact CG2-CD1 4.27Å; V28-F51 HydrophobicContact CG2-CE1 3.91Å; F51-N53 PolarHBondContact O-N 3.39Å; F51-N53 VanDerWaalsContact O-N 3.17Å; F51-T54 WeakPolarHBondContact O-CA 3.27Å; F51-T54 PolarHBondContact O-N 3.15Å; F51-V55 PolarHBondContact O-N 3.11Å; F51-L116 HydrophobicContact CB-CD1 4.21Å; F51-L116 HydrophobicContact CD2-CD1 3.28Å; F51-L116 HydrophobicContact CE2-CD1 3.86Å; F51-L116 HydrophobicContact CG-CD1 3.98Å; F51-W123 AromaticContact CE2-CE3 4Å; F51-W123 HydrophobicContact CE2-CE3 4Å; F51-W123 HydrophobicContact CE2-CH2 4.49Å; F51-W123 AromaticContact CE2-CZ3 3.5Å; F51-W123 HydrophobicContact CE2-CZ3 3.5Å; F51-W123 HydrophobicContact CZ-CE3 4.34Å; F51-W123 HydrophobicContact CZ-CH2 4.25Å; F51-W123 AromaticContact CZ-CZ3 3.65Å; F51-W123 HydrophobicContact CZ-CZ3 3.65Å; F51-F155 VanDerWaalsContact CD2-C 3.44Å; F51-F155 PolarHBondContact N-O 2.95Å; F51-G156 VanDerWaalsContact CE2-C 3.42Å; F51-G156 VanDerWaalsContact CE2-CA 3.43Å; F51-K157 HydrophobicContact CE2-CB 4.5Å; F51-K157 HydrophobicContact CZ-CB 3.76Å; F51-V199 HydrophobicContact CE1-CG2 3.74Å; F51-V199 HydrophobicContact CZ-CG2 3.95Å
52	G	98.6	Very high	98.7	Very high	10 Å²	10	39.4 Å²	39.4	10%	0.103	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.7	-171.7	0	0	0	0	0	115.1	T29 L50 T54 P56 T59	T29-G52 WeakPolarHBondContact OG1-CA 3.4Å; T29-G52 PolarHBondContact OG1-N 3.43Å; L50-G52 PolarHBondContact O-N 3.45Å; G52-T54 VanDerWaalsContact C-N 3.34Å; G52-P56 VanDerWaalsContact O-CA 3.23Å; G52-P56 WeakPolarHBondContact O-CA 3.5Å; G52-P56 WeakPolarHBondContact O-CB 3.38Å; G52-P56 VanDerWaalsContact O-CD 3.28Å; G52-P56 WeakPolarHBondContact O-CD 3.12Å; G52-T59 WeakPolarHBondContact CA-OG1 3.49Å
53	N	98.1	Very high	98.7	Very high	115 Å²	115	31 Å²	31	62%	0.615	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.4	169	-73.3	-13.8	0	0	0	112.7	T29 F51	T29-N53 HydrophobicContact CG2-CB 4.24Å; F51-N53 PolarHBondContact O-N 3.39Å; F51-N53 VanDerWaalsContact O-N 3.17Å
54	T	98.5	Very high	98.8	Very high	30 Å²	30	32.8 Å²	32.8	18%	0.184	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-39.2	-177.3	-52.2	0	0	0	0	111.8	F51 G52 N113 K115 L116	F51-T54 WeakPolarHBondContact O-CA 3.27Å; F51-T54 PolarHBondContact O-N 3.15Å; G52-T54 VanDerWaalsContact C-N 3.34Å; T54-N113 PolarHBondContact O-ND2 3.45Å; T54-K115 HydrophobicContact CG2-CB 4.31Å; T54-K115 HydrophobicContact CG2-CD 4.42Å; T54-L116 HydrophobicContact CG2-CD1 4.03Å; T54-L116 HydrophobicContact CG2-CG 4.02Å
55	V	98.7	Very high	98.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.			trans	-141.5	63.9	-176.3	-73.8	0	0	0	0	111.5	F51 K57 T58 T59 E112 N113 V153 F155	F51-V55 PolarHBondContact O-N 3.11Å; V55-K57 VanDerWaalsContact C-N 3.32Å; V55-K57 PolarHBondContact O-N 2.94Å; V55-T58 PolarHBondContact O-N 2.8Å; V55-T59 HydrophobicContact CG2-CG2 4.14Å; V55-T59 WeakPolarHBondContact O-CG2 3.38Å; V55-T59 PolarHBondContact O-N 3.4Å; V55-T59 PolarHBondContact O-OG1 2.7Å; V55-E112 VanDerWaalsContact C-CD 3.43Å; V55-E112 VanDerWaalsContact CA-CD 3.42Å; V55-E112 VanDerWaalsContact CA-OE2 3.23Å; V55-E112 WeakPolarHBondContact CA-OE2 3.3Å; V55-E112 HydrophobicContact CB-CB 4.49Å; V55-E112 HydrophobicContact CB-CG 4.35Å; V55-E112 WeakPolarHBondContact CB-OE2 3.33Å; V55-E112 HydrophobicContact CG1-CB 4.13Å; V55-E112 HydrophobicContact CG1-CG 4.16Å; V55-N113 WeakPolarHBondContact CG1-ND2 3.47Å; V55-V153 HydrophobicContact CB-CG1 4.47Å; V55-V153 HydrophobicContact CG1-CG1 3.86Å; V55-F155 HydrophobicContact CG2-CB 3.49Å; V55-F155 VanDerWaalsContact CG2-CB 3.49Å
56	P	98.6	Very high	98.8	Very high	67 Å²	67	26 Å²	26	44%	0.435	13%	0.133	S	C	.	.	H	α-helix	trans	-57.3	-36.1	-173	19.4	-32.1	0	0	0	114.8	G52 T59 K60 E112	G52-P56 VanDerWaalsContact O-CA 3.23Å; G52-P56 WeakPolarHBondContact O-CA 3.5Å; G52-P56 WeakPolarHBondContact O-CB 3.38Å; G52-P56 VanDerWaalsContact O-CD 3.28Å; G52-P56 WeakPolarHBondContact O-CD 3.12Å; P56-T59 PolarHBondContact O-OG1 3.2Å; P56-K60 WeakPolarHBondContact O-CB 3.25Å; P56-K60 PolarHBondContact O-N 3.02Å; P56-E112 WeakPolarHBondContact CD-OE1 3.37Å; P56-E112 VanDerWaalsContact CG-OE1 3.3Å; P56-E112 WeakPolarHBondContact CG-OE1 3.39Å; P56-E112 VanDerWaalsContact N-OE1 3.17Å
57	K	98.7	Very high	98.8	Very high	134 Å²	134	31.1 Å²	31.1	58%	0.583	16%	0.155	S	C	*	.	H	α-helix	trans	-71	-42.3	178.9	-66.5	-177.6	178.3	178.9	0	110.8	V55 K60 N61 Y105 E112	V55-K57 VanDerWaalsContact C-N 3.32Å; V55-K57 PolarHBondContact O-N 2.94Å; K57-K60 PolarHBondContact O-N 3.35Å; K57-N61 WeakPolarHBondContact O-CB 3.05Å; K57-N61 PolarHBondContact O-N 3.18Å; K57-Y105 HydrophobicContact CB-CE2 4.33Å; K57-Y105 PolarHBondContact O-OH 3.16Å; K57-E112 PolarHBondContact N-OE1 3.45Å; K57-E112 PolarHBondContact N-OE2 3.09Å; K57-E112 VanDerWaalsContact N-OE2 3.13Å
58	T	98.9	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-45.5	179.4	-49.7	0	0	0	0	111	V55 N61 F62 F109 E112 M126 V153 F155	V55-T58 PolarHBondContact O-N 2.8Å; T58-N61 WeakPolarHBondContact O-CB 3.42Å; T58-N61 PolarHBondContact O-N 2.89Å; T58-F62 PolarHBondContact O-N 3.38Å; T58-F62 VanDerWaalsContact O-N 3.16Å; T58-F109 HydrophobicContact CG2-CE2 4.5Å; T58-F109 HydrophobicContact CG2-CZ 4.31Å; T58-E112 WeakPolarHBondContact CB-OE2 3.12Å; T58-E112 PolarHBondContact N-OE2 3.45Å; T58-E112 PolarHBondContact OG1-OE2 3.44Å; T58-M126 HydrophobicContact CG2-CG 3.66Å; T58-M126 HydrophobicContact CG2-SD 3.78Å; T58-V153 HydrophobicContact CG2-CG1 4.18Å; T58-F155 HydrophobicContact CG2-CB 3.65Å; T58-F155 HydrophobicContact CG2-CD1 3.79Å; T58-F155 HydrophobicContact CG2-CD2 4.14Å; T58-F155 HydrophobicContact CG2-CE1 4.44Å; T58-F155 HydrophobicContact CG2-CG 3.61Å
59	T	98.9	Very high	98.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-42.4	177	62.7	0	0	0	0	112	L50 G52 V55 P56 N61 F62 V63	L50-T59 HydrophobicContact CB-CG2 3.78Å; G52-T59 WeakPolarHBondContact CA-OG1 3.49Å; V55-T59 HydrophobicContact CG2-CG2 4.14Å; V55-T59 WeakPolarHBondContact O-CG2 3.38Å; V55-T59 PolarHBondContact O-N 3.4Å; V55-T59 PolarHBondContact O-OG1 2.7Å; P56-T59 PolarHBondContact O-OG1 3.2Å; T59-N61 VanDerWaalsContact C-N 3.32Å; T59-N61 PolarHBondContact O-N 3Å; T59-F62 PolarHBondContact O-N 3.04Å; T59-F62 VanDerWaalsContact O-N 3.13Å; T59-V63 WeakPolarHBondContact O-CG2 3.43Å; T59-V63 PolarHBondContact O-N 3.24Å
60	K	98.8	Very high	98.6	Very high	115 Å²	115	42.3 Å²	42.3	50%	0.5	22%	0.217	S	C	.	.	H	α-helix	trans	-59.1	-43.6	176.3	-178.5	173.9	178.1	175	0	111.5	P56 K57 F62 V63 E64 I104	P56-K60 WeakPolarHBondContact O-CB 3.25Å; P56-K60 PolarHBondContact O-N 3.02Å; K57-K60 PolarHBondContact O-N 3.35Å; K60-F62 VanDerWaalsContact C-N 3.32Å; K60-F62 PolarHBondContact O-N 2.99Å; K60-V63 PolarHBondContact O-N 3Å; K60-E64 HydrophobicContact CG-CG 4.21Å; K60-E64 WeakPolarHBondContact O-CB 3.4Å; K60-E64 VanDerWaalsContact O-CG 3.3Å; K60-E64 WeakPolarHBondContact O-CG 3.1Å; K60-E64 PolarHBondContact O-N 2.93Å; K60-I104 HydrophobicContact CG-CD1 3.99Å
61	N	98.9	Very high	98.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-54.8	-49.1	173.8	176.8	65.8	0	0	0	111.7	K57 T58 T59 L65 S103 I104 Y105 F109 G135	K57-N61 WeakPolarHBondContact O-CB 3.05Å; K57-N61 PolarHBondContact O-N 3.18Å; T58-N61 WeakPolarHBondContact O-CB 3.42Å; T58-N61 PolarHBondContact O-N 2.89Å; T59-N61 VanDerWaalsContact C-N 3.32Å; T59-N61 PolarHBondContact O-N 3Å; N61-L65 WeakPolarHBondContact O-CB 3.45Å; N61-L65 VanDerWaalsContact O-CG 3.26Å; N61-L65 WeakPolarHBondContact O-CG 3.42Å; N61-L65 PolarHBondContact O-N 2.83Å; N61-L65 VanDerWaalsContact O-N 3.1Å; N61-S103 VanDerWaalsContact OD1-CA 3.23Å; N61-S103 WeakPolarHBondContact OD1-CA 3.37Å; N61-S103 VanDerWaalsContact OD1-CB 3.29Å; N61-S103 WeakPolarHBondContact OD1-CB 3.46Å; N61-I104 HydrophobicContact CB-CD1 4.47Å; N61-I104 HydrophobicContact CB-CG1 4.2Å; N61-I104 PolarHBondContact OD1-N 3.46Å; N61-Y105 HydrophobicContact CB-CE2 4Å; N61-F109 HydrophobicContact CB-CE1 4.37Å; N61-F109 HydrophobicContact CB-CZ 4.39Å; N61-G135 PolarHBondContact ND2-O 3.35Å
62	F	98.9	Very high	98.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-44.9	-177.8	-165.3	-93.8	0	0	0	113.2	V32 F34 I48 L50 T58 T59 K60 L65 A66 Y74 L124 F138 F155	V32-F62 HydrophobicContact CB-CD1 4.39Å; V32-F62 HydrophobicContact CB-CE1 4.09Å; V32-F62 HydrophobicContact CG1-CD1 4.46Å; V32-F62 HydrophobicContact CG1-CE1 3.91Å; V32-F62 HydrophobicContact CG2-CD1 4.12Å; V32-F62 HydrophobicContact CG2-CE1 4.32Å; F34-F62 HydrophobicContact CE1-CE1 4.5Å; F34-F62 HydrophobicContact CE1-CZ 4.43Å; F34-F62 AromaticContact CE2-CZ 3.85Å; F34-F62 HydrophobicContact CE2-CZ 3.85Å; F34-F62 AromaticContact CZ-CE1 3.84Å; F34-F62 HydrophobicContact CZ-CE1 3.84Å; F34-F62 HydrophobicContact CZ-CE2 4.32Å; F34-F62 AromaticContact CZ-CZ 3.4Å; F34-F62 HydrophobicContact CZ-CZ 3.4Å; I48-F62 HydrophobicContact CD1-CE1 4.49Å; I48-F62 HydrophobicContact CD1-CZ 4.37Å; L50-F62 HydrophobicContact CD1-CD1 4.01Å; L50-F62 HydrophobicContact CD2-CD1 4.07Å; L50-F62 HydrophobicContact CD2-CE1 4.37Å; T58-F62 PolarHBondContact O-N 3.38Å; T58-F62 VanDerWaalsContact O-N 3.16Å; T59-F62 PolarHBondContact O-N 3.04Å; T59-F62 VanDerWaalsContact O-N 3.13Å; K60-F62 VanDerWaalsContact C-N 3.32Å; K60-F62 PolarHBondContact O-N 2.99Å; F62-L65 PolarHBondContact O-N 2.93Å; F62-A66 PolarHBondContact O-N 3.31Å; F62-Y74 HydrophobicContact CD1-CE2 4.19Å; F62-Y74 AromaticContact CD2-CE2 3.54Å; F62-Y74 HydrophobicContact CD2-CE2 3.54Å; F62-Y74 AromaticContact CD2-CZ 3.65Å; F62-Y74 WeakPolarHBondContact CD2-OH 3.35Å; F62-Y74 HydrophobicContact CE1-CE2 4.25Å; F62-Y74 HydrophobicContact CE2-CD2 4.5Å; F62-Y74 AromaticContact CE2-CE2 3.6Å; F62-Y74 HydrophobicContact CE2-CE2 3.6Å; F62-Y74 AromaticContact CE2-CZ 3.76Å; F62-Y74 AromaticContact CG-CE2 3.85Å; F62-Y74 HydrophobicContact CG-CE2 3.85Å; F62-Y74 AromaticContact CZ-CE2 3.98Å; F62-Y74 HydrophobicContact CZ-CE2 3.98Å; F62-Y74 WeakPolarHBondContact O-CE2 3.48Å; F62-L124 HydrophobicContact CD2-CD2 4.42Å; F62-L124 HydrophobicContact CE1-CD2 4.01Å; F62-L124 HydrophobicContact CE2-CD1 4.4Å; F62-L124 HydrophobicContact CE2-CD2 3.92Å; F62-L124 HydrophobicContact CZ-CD1 4.45Å; F62-L124 HydrophobicContact CZ-CD2 3.68Å; F62-F138 HydrophobicContact CD2-CD1 4.46Å; F62-F138 HydrophobicContact CE2-CB 4.19Å; F62-F138 AromaticContact CE2-CD1 3.58Å; F62-F138 HydrophobicContact CE2-CD1 3.58Å; F62-F138 HydrophobicContact CE2-CD2 4.33Å; F62-F138 AromaticContact CE2-CE1 3.96Å; F62-F138 HydrophobicContact CE2-CE1 3.96Å; F62-F138 AromaticContact CE2-CG 3.77Å; F62-F138 HydrophobicContact CE2-CG 3.77Å; F62-F138 HydrophobicContact CE2-CZ 4.5Å; F62-F138 HydrophobicContact CZ-CD1 4.39Å; F62-F138 HydrophobicContact CZ-CE1 4.4Å; F62-F155 HydrophobicContact CB-CD2 4.44Å; F62-F155 HydrophobicContact CB-CE2 3.67Å; F62-F155 HydrophobicContact CB-CZ 4.38Å; F62-F155 HydrophobicContact CD1-CE2 4.14Å; F62-F155 AromaticContact CD2-CE2 3.42Å; F62-F155 HydrophobicContact CD2-CE2 3.42Å; F62-F155 VanDerWaalsContact CD2-CE2 3.42Å; F62-F155 AromaticContact CD2-CZ 3.42Å; F62-F155 HydrophobicContact CD2-CZ 3.42Å; F62-F155 VanDerWaalsContact CD2-CZ 3.42Å; F62-F155 HydrophobicContact CE2-CE2 4.01Å; F62-F155 AromaticContact CE2-CZ 3.8Å; F62-F155 HydrophobicContact CE2-CZ 3.8Å; F62-F155 AromaticContact CG-CE2 3.49Å; F62-F155 HydrophobicContact CG-CE2 3.49Å; F62-F155 VanDerWaalsContact CG-CE2 3.49Å; F62-F155 HydrophobicContact CG-CZ 4.01Å
63	V	98.9	Very high	98.5	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-46.9	178.6	171.6	0	0	0	0	111.4	Q30 V32 L50 T59 K60 L65 A66 K67 E190	Q30-V63 HydrophobicContact CB-CG2 4.16Å; Q30-V63 VanDerWaalsContact OE1-CG2 3.31Å; V32-V63 HydrophobicContact CG2-CG2 3.89Å; L50-V63 HydrophobicContact CD1-CG2 3.36Å; T59-V63 WeakPolarHBondContact O-CG2 3.43Å; T59-V63 PolarHBondContact O-N 3.24Å; K60-V63 PolarHBondContact O-N 3Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.11Å; V63-A66 WeakPolarHBondContact O-CB 3.42Å; V63-A66 PolarHBondContact O-N 3.48Å; V63-A66 VanDerWaalsContact O-N 3.09Å; V63-K67 HydrophobicContact CG1-CD 3.85Å; V63-K67 WeakPolarHBondContact O-CG 3.36Å; V63-K67 PolarHBondContact O-N 3.16Å; V63-E190 HydrophobicContact CG1-CB 4.21Å; V63-E190 HydrophobicContact CG1-CG 4.13Å
64	E	98.8	Very high	98.5	Very high	68 Å²	68	42.9 Å²	42.9	32%	0.318	23%	0.225	S	C	.	.	H	α-helix	trans	-66.6	-36.6	-178.2	-70.2	-60.8	125	0	0	111.7	K60 A66 K67 R68 I104	K60-E64 HydrophobicContact CG-CG 4.21Å; K60-E64 WeakPolarHBondContact O-CB 3.4Å; K60-E64 VanDerWaalsContact O-CG 3.3Å; K60-E64 WeakPolarHBondContact O-CG 3.1Å; K60-E64 PolarHBondContact O-N 2.93Å; E64-A66 VanDerWaalsContact C-N 3.32Å; E64-A66 PolarHBondContact O-N 3.09Å; E64-K67 PolarHBondContact O-N 2.86Å; E64-K67 IonicContact OE1-NZ 2.74Å; E64-K67 PolarHBondContact OE1-NZ 3.31Å; E64-R68 WeakPolarHBondContact O-CG 3.21Å; E64-R68 PolarHBondContact O-N 3.39Å; E64-I104 HydrophobicContact CB-CD1 4.1Å; E64-I104 HydrophobicContact CB-CG2 3.83Å; E64-I104 HydrophobicContact CG-CD1 4.15Å
65	L	98.9	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.4	-31	171.4	-70.9	171.1	0	0	0	112.9	N61 F62 V63 K67 G73 Y74 F93 I104	N61-L65 WeakPolarHBondContact O-CB 3.45Å; N61-L65 VanDerWaalsContact O-CG 3.26Å; N61-L65 WeakPolarHBondContact O-CG 3.42Å; N61-L65 PolarHBondContact O-N 2.83Å; N61-L65 VanDerWaalsContact O-N 3.1Å; F62-L65 PolarHBondContact O-N 2.93Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.11Å; L65-K67 VanDerWaalsContact C-N 3.27Å; L65-K67 PolarHBondContact O-N 2.65Å; L65-G73 VanDerWaalsContact O-CA 3.28Å; L65-G73 WeakPolarHBondContact O-CA 3.32Å; L65-Y74 HydrophobicContact CB-CD2 4.02Å; L65-Y74 HydrophobicContact CB-CE1 4.24Å; L65-Y74 HydrophobicContact CB-CE2 3.63Å; L65-Y74 HydrophobicContact CB-CG 4.48Å; L65-Y74 HydrophobicContact CD1-CE1 4.22Å; L65-Y74 WeakPolarHBondContact CD1-OH 3.26Å; L65-Y74 PolarHBondContact O-N 3.41Å; L65-F93 HydrophobicContact CD1-CE1 4.49Å; L65-F93 HydrophobicContact CD2-CE1 3.77Å; L65-F93 HydrophobicContact CD2-CZ 3.96Å; L65-I104 HydrophobicContact CD2-CG2 4.15Å; L65-I104 HydrophobicContact CG-CG2 3.97Å
66	A	98.8	Very high	98.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-72.4	-19	175.3	0	0	0	0	0	113.4	V32 F62 V63 E64 Y74 C188	V32-A66 HydrophobicContact CG1-CB 3.71Å; V32-A66 HydrophobicContact CG2-CB 4.11Å; F62-A66 PolarHBondContact O-N 3.31Å; V63-A66 WeakPolarHBondContact O-CB 3.42Å; V63-A66 PolarHBondContact O-N 3.48Å; V63-A66 VanDerWaalsContact O-N 3.09Å; E64-A66 VanDerWaalsContact C-N 3.32Å; E64-A66 PolarHBondContact O-N 3.09Å; A66-Y74 HydrophobicContact CB-CD2 4Å; A66-C188 CarbonylContact O-C 3.38Å; A66-C188 PolarHBondContact O-SG 3.19Å
67	K	98.7	Very high	98.5	Very high	106 Å²	106	43.1 Å²	43.1	46%	0.461	22%	0.224	S	C	.	.	H	α-helix	trans	-93.1	-10.7	179.9	-70.4	161.1	62.4	-177.9	0	113.7	V63 E64 L65 E190	V63-K67 HydrophobicContact CG1-CD 3.85Å; V63-K67 WeakPolarHBondContact O-CG 3.36Å; V63-K67 PolarHBondContact O-N 3.16Å; E64-K67 PolarHBondContact O-N 2.86Å; E64-K67 IonicContact OE1-NZ 2.74Å; E64-K67 PolarHBondContact OE1-NZ 3.31Å; L65-K67 VanDerWaalsContact C-N 3.27Å; L65-K67 PolarHBondContact O-N 2.65Å; K67-E190 HydrophobicContact CD-CB 4.29Å; K67-E190 HydrophobicContact CG-CB 4.42Å; K67-E190 IonicContact NZ-OE2 2.86Å
68	R	98.4	Very high	98.5	Very high	70 Å²	70	38.8 Å²	38.8	26%	0.264	21%	0.205	S	C	.	.	S	Bend	trans	-77	155.1	-176.7	-80.8	-179.9	-176.5	-177.3	-2.4	112.6	E64 E72	E64-R68 WeakPolarHBondContact O-CG 3.21Å; E64-R68 PolarHBondContact O-N 3.39Å; R68-E72 HydrophobicContact CB-CB 4.02Å; R68-E72 WeakPolarHBondContact CD-O 3.4Å; R68-E72 HydrophobicContact CG-CB 4.45Å; R68-E72 PolarHBondContact NH1-O 2.97Å
69	P	97.8	Very high	98.5	Very high	72 Å²	72	38.9 Å²	38.9	47%	0.468	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-66.7	170.7	174.3	30.6	-36.1	0	0	0	111.8	G71 E72	P69-G71 PolarHBondContact O-N 2.67Å; P69-E72 HydrophobicContact CG-CB 4.2Å; P69-E72 HydrophobicContact CG-CG 4.24Å; P69-E72 PolarHBondContact O-N 2.68Å; P69-E72 VanDerWaalsContact O-N 3.11Å
70	V	97.8	Very high	98.5	Very high	98 Å²	98	39.2 Å²	39.2	59%	0.594	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	134.8	176.1	177.8	0	0	0	0	110.3	E72 K75	V70-E72 VanDerWaalsContact C-N 3.28Å; V70-E72 PolarHBondContact O-N 2.9Å; V70-K75 WeakPolarHBondContact CA-O 3.32Å; V70-K75 HydrophobicContact CG2-CB 4.32Å; V70-K75 HydrophobicContact CG2-CD 4.22Å; V70-K75 HydrophobicContact CG2-CG 3.87Å
71	G	96.7	Very high	98.5	Very high	43 Å²	43	37.8 Å²	37.8	44%	0.443	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-7.8	-179.1	0	0	0	0	0	114.9	P69	P69-G71 PolarHBondContact O-N 2.67Å
72	E	97.8	Very high	98.5	Very high	94 Å²	94	37.9 Å²	37.9	44%	0.439	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-9.4	178.8	-66.2	-172.3	-135.3	0	0	114.1	R68 P69 V70 F93	R68-E72 HydrophobicContact CB-CB 4.02Å; R68-E72 WeakPolarHBondContact CD-O 3.4Å; R68-E72 HydrophobicContact CG-CB 4.45Å; R68-E72 PolarHBondContact NH1-O 2.97Å; P69-E72 HydrophobicContact CG-CB 4.2Å; P69-E72 HydrophobicContact CG-CG 4.24Å; P69-E72 PolarHBondContact O-N 2.68Å; P69-E72 VanDerWaalsContact O-N 3.11Å; V70-E72 VanDerWaalsContact C-N 3.28Å; V70-E72 PolarHBondContact O-N 2.9Å; E72-F93 VanDerWaalsContact C-CE2 3.5Å; E72-F93 WeakPolarHBondContact O-CE2 3.42Å
73	G	98.6	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-164.2	-154.4	-178.7	0	0	0	0	0	112.1	L65 K75 F93	L65-G73 VanDerWaalsContact O-CA 3.28Å; L65-G73 WeakPolarHBondContact O-CA 3.32Å; G73-K75 PolarHBondContact O-N 2.83Å; G73-F93 WeakPolarHBondContact O-CB 2.96Å; G73-F93 WeakPolarHBondContact O-CG 3.45Å
74	Y	98.9	Very high	98.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-73.6	-23.1	-167.8	-59.4	-43.3	0	0	0	114.9	F34 F62 L65 A66 G76 S77 S136 F138	F34-Y74 AromaticContact CE1-CD2 3.99Å; F34-Y74 HydrophobicContact CE1-CD2 3.99Å; F34-Y74 HydrophobicContact CE1-CG 4.38Å; F34-Y74 AromaticContact CZ-CD2 3.9Å; F34-Y74 HydrophobicContact CZ-CD2 3.9Å; F34-Y74 HydrophobicContact CZ-CE2 4.46Å; F34-Y74 HydrophobicContact CZ-CG 4.28Å; F62-Y74 HydrophobicContact CD1-CE2 4.19Å; F62-Y74 AromaticContact CD2-CE2 3.54Å; F62-Y74 HydrophobicContact CD2-CE2 3.54Å; F62-Y74 AromaticContact CD2-CZ 3.65Å; F62-Y74 WeakPolarHBondContact CD2-OH 3.35Å; F62-Y74 HydrophobicContact CE1-CE2 4.25Å; F62-Y74 HydrophobicContact CE2-CD2 4.5Å; F62-Y74 AromaticContact CE2-CE2 3.6Å; F62-Y74 HydrophobicContact CE2-CE2 3.6Å; F62-Y74 AromaticContact CE2-CZ 3.76Å; F62-Y74 AromaticContact CG-CE2 3.85Å; F62-Y74 HydrophobicContact CG-CE2 3.85Å; F62-Y74 AromaticContact CZ-CE2 3.98Å; F62-Y74 HydrophobicContact CZ-CE2 3.98Å; F62-Y74 WeakPolarHBondContact O-CE2 3.48Å; L65-Y74 HydrophobicContact CB-CD2 4.02Å; L65-Y74 HydrophobicContact CB-CE1 4.24Å; L65-Y74 HydrophobicContact CB-CE2 3.63Å; L65-Y74 HydrophobicContact CB-CG 4.48Å; L65-Y74 HydrophobicContact CD1-CE1 4.22Å; L65-Y74 WeakPolarHBondContact CD1-OH 3.26Å; L65-Y74 PolarHBondContact O-N 3.41Å; A66-Y74 HydrophobicContact CB-CD2 4Å; Y74-G76 PolarHBondContact O-N 3.27Å; Y74-S77 WeakPolarHBondContact CA-OG 3.31Å; Y74-S77 VanDerWaalsContact O-CB 3.31Å; Y74-S77 WeakPolarHBondContact O-CB 3.45Å; Y74-S77 PolarHBondContact O-N 2.8Å; Y74-S77 PolarHBondContact O-OG 2.95Å; Y74-S136 WeakPolarHBondContact CE1-O 3.48Å; Y74-S136 PolarHBondContact OH-O 2.94Å; Y74-S136 VanDerWaalsContact OH-O 3.09Å; Y74-F138 HydrophobicContact CD1-CE1 4.1Å; Y74-F138 HydrophobicContact CE1-CD1 4.04Å; Y74-F138 AromaticContact CE1-CE1 3.9Å; Y74-F138 HydrophobicContact CE1-CE1 3.9Å
75	K	98.8	Very high	98.4	Very high	73 Å²	73	46.8 Å²	46.8	32%	0.317	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	124.4	179.8	-169.5	170.2	178.1	159.2	0	110.6	V70 G73 S77 N187 C188	V70-K75 WeakPolarHBondContact CA-O 3.32Å; V70-K75 HydrophobicContact CG2-CB 4.32Å; V70-K75 HydrophobicContact CG2-CD 4.22Å; V70-K75 HydrophobicContact CG2-CG 3.87Å; G73-K75 PolarHBondContact O-N 2.83Å; K75-S77 PolarHBondContact O-N 3.36Å; K75-N187 WeakPolarHBondContact CE-OD1 3.34Å; K75-N187 PolarHBondContact NZ-OD1 3.39Å; K75-C188 PolarHBondContact N-SG 2.77Å
76	G	98.6	Very high	98.4	Very high	28 Å²	28	48.8 Å²	48.8	29%	0.289	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-4.7	-175	0	0	0	0	0	114.8	Y74 I185	Y74-G76 PolarHBondContact O-N 3.27Å; G76-I185 PolarHBondContact N-O 2.91Å
77	S	98.7	Very high	98.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	25%	0.252	C	S	.	.			trans	-76.8	165.6	175.1	76.6	0	0	0	0	111.8	Y74 K75 I185	Y74-S77 WeakPolarHBondContact CA-OG 3.31Å; Y74-S77 VanDerWaalsContact O-CB 3.31Å; Y74-S77 WeakPolarHBondContact O-CB 3.45Å; Y74-S77 PolarHBondContact O-N 2.8Å; Y74-S77 PolarHBondContact O-OG 2.95Å; K75-S77 PolarHBondContact O-N 3.36Å; S77-I185 PolarHBondContact O-N 3.04Å
78	K	98.5	Very high	98.4	Very high	42 Å²	42	43.8 Å²	43.8	18%	0.183	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-114.4	153.8	-171.7	-56.1	-175.5	178.7	-176.4	0	112.1	H80 G90 H96 D182 V183 V184	K78-H80 PolarHBondContact O-N 3.34Å; K78-G90 WeakPolarHBondContact O-CA 3.45Å; K78-H96 HydrophobicContact CD-CB 4.36Å; K78-D182 HydrophobicContact CD-CB 4.43Å; K78-D182 WeakPolarHBondContact CD-OD1 3.11Å; K78-D182 WeakPolarHBondContact CE-OD1 3.29Å; K78-D182 WeakPolarHBondContact CE-OD2 3.22Å; K78-D182 IonicContact NZ-OD1 2.65Å; K78-D182 PolarHBondContact NZ-OD1 3.38Å; K78-D182 IonicContact NZ-OD2 2.84Å; K78-D182 PolarHBondContact NZ-OD2 3.23Å; K78-V183 CarbonylContact C-O 3.36Å; K78-V183 VanDerWaalsContact CA-O 3.25Å; K78-V183 WeakPolarHBondContact CA-O 3.11Å; K78-V184 HydrophobicContact CG-CG2 4.31Å
79	F	98.9	Very high	98.4	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	22%	0.223	C	C	.	.			trans	-78.6	93.9	155.3	-71.4	-89.5	0	0	0	108	I36 R81 V82 I88 Q89 F138 I168 V183 I185	I36-F79 HydrophobicContact CD1-CE2 3.84Å; F79-R81 VanDerWaalsContact C-N 3.33Å; F79-V82 HydrophobicContact CB-CG2 4.41Å; F79-I88 HydrophobicContact CD1-CB 4.01Å; F79-I88 HydrophobicContact CD1-CD1 4.07Å; F79-I88 HydrophobicContact CD1-CG1 4.08Å; F79-I88 HydrophobicContact CE1-CB 4.35Å; F79-I88 HydrophobicContact CE1-CD1 3.69Å; F79-I88 HydrophobicContact CE1-CG1 3.89Å; F79-I88 HydrophobicContact CZ-CD1 4.13Å; F79-Q89 CarbonylContact C-O 3.47Å; F79-Q89 WeakPolarHBondContact CA-O 3.48Å; F79-F138 AromaticContact CE1-CE2 3.79Å; F79-F138 HydrophobicContact CE1-CE2 3.79Å; F79-F138 HydrophobicContact CE1-CZ 4.12Å; F79-F138 HydrophobicContact CZ-CE2 4.14Å; F79-F138 HydrophobicContact CZ-CZ 4.2Å; F79-I168 HydrophobicContact CD2-CD1 4.26Å; F79-I168 HydrophobicContact CE2-CD1 4.07Å; F79-I168 HydrophobicContact CZ-CD1 4.47Å; F79-V183 HydrophobicContact CB-CB 4.19Å; F79-V183 HydrophobicContact CB-CG1 4.19Å; F79-V183 HydrophobicContact CD2-CG1 3.72Å; F79-V183 HydrophobicContact CG-CG1 4.31Å; F79-V183 PolarHBondContact N-O 3.21Å; F79-I185 HydrophobicContact CD2-CG1 4.47Å; F79-I185 HydrophobicContact CE2-CD1 4.24Å; F79-I185 HydrophobicContact CE2-CG1 3.89Å
80	H	98.7	Very high	98.5	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.042	20%	0.201	C	C	.	.			trans	-80.7	-12.5	-172.9	56.1	-87	0	0	0	113.7	K78 Q89 H96 G98 Q137 R178	K78-H80 PolarHBondContact O-N 3.34Å; H80-Q89 PolarHBondContact N-O 3.05Å; H80-Q89 VanDerWaalsContact N-O 3.12Å; H80-Q89 PolarHBondContact NE2-NE2 2.86Å; H80-H96 WeakPolarHBondContact CB-O 3.47Å; H80-G98 WeakPolarHBondContact CD2-CA 3.39Å; H80-G98 PolarHBondContact CD2-N 2.99Å; H80-G98 VanDerWaalsContact NE2-CA 3.27Å; H80-G98 WeakPolarHBondContact NE2-CA 3.24Å; H80-Q137 PolarHBondContact CE1-OE1 3.22Å; H80-Q137 VanDerWaalsContact CE1-OE1 3.28Å; H80-Q137 PolarHBondContact NE2-OE1 3.26Å; H80-Q137 VanDerWaalsContact NE2-OE1 3.08Å; H80-R178 WeakPolarHBondContact O-CA 3.14Å
81	R	98.8	Very high	98.5	Very high	85 Å²	85	33.6 Å²	33.6	32%	0.321	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	125.9	178.5	-171	-176	178.3	-142.6	5.5	111	F79 I83 M87 Q89 D177	F79-R81 VanDerWaalsContact C-N 3.33Å; R81-I83 VanDerWaalsContact CZ-CD1 3.49Å; R81-M87 HydrophobicContact CG-CE 4.07Å; R81-Q89 HydrophobicContact CB-CB 4.22Å; R81-Q89 PolarHBondContact N-O 2.76Å; R81-Q89 PolarHBondContact O-N 3.07Å; R81-D177 HydrophobicContact CG-CB 3.95Å; R81-D177 IonicContact NE-OD2 3.96Å; R81-D177 IonicContact NH2-OD2 2.96Å
82	V	98.8	Very high	98.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	120.2	-177.8	169.2	0	0	0	0	109	F79 I88 I168 T173 D177 P179	F79-V82 HydrophobicContact CB-CG2 4.41Å; V82-I88 HydrophobicContact CB-CG2 4.49Å; V82-I88 HydrophobicContact CG1-CG2 4.05Å; V82-I88 HydrophobicContact CG2-CB 4.3Å; V82-I88 HydrophobicContact CG2-CG2 4.05Å; V82-I168 WeakPolarHBondContact CG1-O 3.28Å; V82-I168 HydrophobicContact CG2-CG2 3.83Å; V82-T173 HydrophobicContact CB-CG2 4.07Å; V82-T173 HydrophobicContact CG1-CG2 4.29Å; V82-T173 WeakPolarHBondContact O-CG2 3.46Å; V82-D177 PolarHBondContact N-O 3.29Å; V82-P179 HydrophobicContact CB-CG 4.04Å; V82-P179 HydrophobicContact CG2-CG 3.56Å
83	I	98.7	Very high	98.7	Very high	38 Å²	38	27.3 Å²	27.3	20%	0.195	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116.6	176.5	-57.9	172.5	0	0	0	108.1	R81 F86 M87 D177	R81-I83 VanDerWaalsContact CZ-CD1 3.49Å; I83-F86 HydrophobicContact CB-CB 4Å; I83-F86 HydrophobicContact CB-CD1 3.9Å; I83-F86 HydrophobicContact CB-CG 4.45Å; I83-F86 HydrophobicContact CD1-CD1 3.76Å; I83-F86 HydrophobicContact CD1-CE1 4.15Å; I83-F86 HydrophobicContact CG1-CD1 4.4Å; I83-F86 HydrophobicContact CG2-CB 3.8Å; I83-F86 HydrophobicContact CG2-CD1 4.01Å; I83-F86 HydrophobicContact CG2-CG 4.42Å; I83-F86 PolarHBondContact O-N 3.31Å; I83-M87 HydrophobicContact CB-CE 3.87Å; I83-M87 HydrophobicContact CD1-CE 3.71Å; I83-M87 HydrophobicContact CG1-CE 3.64Å; I83-M87 PolarHBondContact N-O 3.31Å; I83-M87 PolarHBondContact O-N 2.85Å; I83-D177 HydrophobicContact CD1-CB 4.37Å; I83-D177 WeakPolarHBondContact CD1-OD2 3.34Å; I83-D177 HydrophobicContact CG1-CB 3.73Å
84	K	98.4	Very high	98.6	Very high	119 Å²	119	29.9 Å²	29.9	52%	0.517	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	139.9	176.7	-178.3	168.2	177.3	155.9	0	110.9	F86 E169 N170	K84-F86 PolarHBondContact O-N 3.49Å; K84-E169 HydrophobicContact CB-CG 4.42Å; K84-E169 HydrophobicContact CG-CG 4.34Å; K84-N170 WeakPolarHBondContact CE-OD1 3.24Å; K84-N170 PolarHBondContact NZ-OD1 2.89Å
85	D	98.1	Very high	98.6	Very high	101 Å²	101	33.9 Å²	33.9	54%	0.54	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	31	-176.5	-56.2	-49.4	0	0	0	112.8	V143 E169	D85-V143 HydrophobicContact CB-CG1 4.28Å; D85-V143 WeakPolarHBondContact O-CG2 3.42Å; D85-E169 WeakPolarHBondContact CA-OE1 3.36Å; D85-E169 PolarHBondContact N-OE1 3.05Å
86	F	98.6	Very high	98.5	Very high	42 Å²	42	33.2 Å²	33.2	18%	0.184	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.8	-76.8	175.1	-179.5	-151.1	0	0	0	112.2	I83 K84 T142 T145 W147 L148	I83-F86 HydrophobicContact CB-CB 4Å; I83-F86 HydrophobicContact CB-CD1 3.9Å; I83-F86 HydrophobicContact CB-CG 4.45Å; I83-F86 HydrophobicContact CD1-CD1 3.76Å; I83-F86 HydrophobicContact CD1-CE1 4.15Å; I83-F86 HydrophobicContact CG1-CD1 4.4Å; I83-F86 HydrophobicContact CG2-CB 3.8Å; I83-F86 HydrophobicContact CG2-CD1 4.01Å; I83-F86 HydrophobicContact CG2-CG 4.42Å; I83-F86 PolarHBondContact O-N 3.31Å; K84-F86 PolarHBondContact O-N 3.49Å; F86-T142 VanDerWaalsContact C-OG1 3.27Å; F86-T142 PolarHBondContact N-OG1 3.34Å; F86-T142 VanDerWaalsContact N-OG1 3.11Å; F86-T142 PolarHBondContact O-N 2.87Å; F86-T142 PolarHBondContact O-OG1 3.27Å; F86-T145 HydrophobicContact CD2-CG2 3.6Å; F86-T145 HydrophobicContact CE2-CG2 3.81Å; F86-W147 AromaticContact CD2-CZ2 3.71Å; F86-W147 HydrophobicContact CD2-CZ2 3.71Å; F86-W147 AromaticContact CE2-CZ2 3.65Å; F86-W147 HydrophobicContact CE2-CZ2 3.65Å; F86-W147 AromaticContact CE2-NE1 3.86Å; F86-L148 HydrophobicContact CE2-CD1 3.96Å; F86-L148 HydrophobicContact CZ-CD1 4.34Å
87	M	98.7	Very high	98.5	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	161.3	-173.5	60.2	83.8	-118.9	0	0	113.8	R81 I83 Q89 F139 I140	R81-M87 HydrophobicContact CG-CE 4.07Å; I83-M87 HydrophobicContact CB-CE 3.87Å; I83-M87 HydrophobicContact CD1-CE 3.71Å; I83-M87 HydrophobicContact CG1-CE 3.64Å; I83-M87 PolarHBondContact N-O 3.31Å; I83-M87 PolarHBondContact O-N 2.85Å; M87-Q89 HydrophobicContact CE-CB 4.36Å; M87-Q89 HydrophobicContact SD-CB 3.6Å; M87-Q89 VanDerWaalsContact SD-CB 3.6Å; M87-F139 HydrophobicContact CB-CB 4.21Å; M87-F139 HydrophobicContact CB-CD2 4.12Å; M87-F139 HydrophobicContact CG-CB 4.33Å; M87-F139 HydrophobicContact SD-CB 3.94Å; M87-I140 CarbonylContact C-O 3.52Å; M87-I140 VanDerWaalsContact CA-O 3.24Å; M87-I140 WeakPolarHBondContact CA-O 3.44Å; M87-I140 WeakPolarHBondContact CB-O 3.28Å
88	I	98.9	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.6	165.9	62.7	170.6	0	0	0	108.8	F79 V82 F139 I140 T142 V165 I168 E169	F79-I88 HydrophobicContact CD1-CB 4.01Å; F79-I88 HydrophobicContact CD1-CD1 4.07Å; F79-I88 HydrophobicContact CD1-CG1 4.08Å; F79-I88 HydrophobicContact CE1-CB 4.35Å; F79-I88 HydrophobicContact CE1-CD1 3.69Å; F79-I88 HydrophobicContact CE1-CG1 3.89Å; F79-I88 HydrophobicContact CZ-CD1 4.13Å; V82-I88 HydrophobicContact CB-CG2 4.49Å; V82-I88 HydrophobicContact CG1-CG2 4.05Å; V82-I88 HydrophobicContact CG2-CB 4.3Å; V82-I88 HydrophobicContact CG2-CG2 4.05Å; I88-F139 CarbonylContact O-C 3.52Å; I88-F139 WeakPolarHBondContact O-CA 3.26Å; I88-I140 HydrophobicContact CD1-CB 4.36Å; I88-I140 HydrophobicContact CD1-CD1 4.34Å; I88-I140 HydrophobicContact CG1-CB 3.83Å; I88-I140 PolarHBondContact N-O 2.95Å; I88-I140 PolarHBondContact O-N 2.81Å; I88-T142 HydrophobicContact CG2-CG2 4.4Å; I88-V165 HydrophobicContact CD1-CB 4.34Å; I88-V165 HydrophobicContact CD1-CG1 3.79Å; I88-V165 HydrophobicContact CD1-CG2 4.33Å; I88-V165 HydrophobicContact CG1-CG1 4.34Å; I88-I168 HydrophobicContact CB-CG2 4.16Å; I88-I168 HydrophobicContact CD1-CB 4.15Å; I88-I168 HydrophobicContact CD1-CD1 3.82Å; I88-I168 HydrophobicContact CD1-CG2 4.04Å; I88-I168 HydrophobicContact CG2-CB 4.31Å; I88-I168 HydrophobicContact CG2-CG2 3.75Å; I88-E169 HydrophobicContact CG2-CB 4.35Å
89	Q	98.9	Very high	98.4	Very high	26 Å²	26	40.2 Å²	40.2	12%	0.121	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.7	-175.1	173.8	-178.9	-15.7	0	0	111	F79 H80 R81 M87 F138 F139	F79-Q89 CarbonylContact C-O 3.47Å; F79-Q89 WeakPolarHBondContact CA-O 3.48Å; H80-Q89 PolarHBondContact N-O 3.05Å; H80-Q89 VanDerWaalsContact N-O 3.12Å; H80-Q89 PolarHBondContact NE2-NE2 2.86Å; R81-Q89 HydrophobicContact CB-CB 4.22Å; R81-Q89 PolarHBondContact N-O 2.76Å; R81-Q89 PolarHBondContact O-N 3.07Å; M87-Q89 HydrophobicContact CE-CB 4.36Å; M87-Q89 HydrophobicContact SD-CB 3.6Å; M87-Q89 VanDerWaalsContact SD-CB 3.6Å; Q89-F138 VanDerWaalsContact CA-O 3.32Å; Q89-F138 WeakPolarHBondContact CA-O 3.33Å; Q89-F138 WeakPolarHBondContact CG-O 3.01Å; Q89-F139 HydrophobicContact CB-CB 4.08Å
90	G	98.8	Very high	98.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	-163	179.8	0	0	0	0	0	111.7	K78 Q137 F138	K78-G90 WeakPolarHBondContact O-CA 3.45Å; G90-Q137 VanDerWaalsContact O-CA 3.26Å; G90-Q137 WeakPolarHBondContact O-CA 3.12Å; G90-F138 PolarHBondContact N-O 3.39Å; G90-F138 PolarHBondContact O-N 3.02Å
91	G	98.7	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.			trans	88.7	3	175.7	0	0	0	0	0	115	F93 S136	G91-F93 WeakPolarHBondContact O-CD1 3.49Å; G91-F93 PolarHBondContact O-N 3.33Å; G91-S136 WeakPolarHBondContact O-CB 3.44Å; G91-S136 PolarHBondContact O-OG 3.11Å
92	D	98.6	Very high	98.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-81.8	93.7	161.9	-176.8	-3.9	0	0	0	109	T94 N95 H96 D97 G98 T99 G100 G101 Q137	D92-T94 PolarHBondContact OD1-N 2.58Å; D92-T94 VanDerWaalsContact OD1-N 3.07Å; D92-T94 PolarHBondContact OD1-OG1 3.12Å; D92-N95 PolarHBondContact OD1-N 3.49Å; D92-H96 WeakPolarHBondContact O-CA 3.4Å; D92-H96 PolarHBondContact O-ND1 3.18Å; D92-H96 PolarHBondContact OD1-N 2.89Å; D92-H96 PolarHBondContact OD2-N 3.27Å; D92-H96 VanDerWaalsContact OD2-N 3.17Å; D92-D97 PolarHBondContact OD2-N 2.87Å; D92-D97 VanDerWaalsContact OD2-N 3.16Å; D92-G98 WeakPolarHBondContact OD2-CA 3.18Å; D92-G98 PolarHBondContact OD2-N 2.96Å; D92-T99 PolarHBondContact OD2-N 2.87Å; D92-G100 VanDerWaalsContact CG-CA 3.48Å; D92-G100 VanDerWaalsContact OD1-C 3.22Å; D92-G100 WeakPolarHBondContact OD1-CA 3.47Å; D92-G100 WeakPolarHBondContact OD2-CA 3.34Å; D92-G100 PolarHBondContact OD2-N 3.45Å; D92-G101 PolarHBondContact OD1-N 3.37Å; D92-Q137 HydrophobicContact CB-CG 4.19Å
93	F	98.4	Very high	98.2	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.018	23%	0.227	C	C	.	.			trans	-94.6	3.4	179	62.6	-100.5	0	0	0	113.7	L65 E72 G73 G91 H96 R102 S136	L65-F93 HydrophobicContact CD1-CE1 4.49Å; L65-F93 HydrophobicContact CD2-CE1 3.77Å; L65-F93 HydrophobicContact CD2-CZ 3.96Å; E72-F93 VanDerWaalsContact C-CE2 3.5Å; E72-F93 WeakPolarHBondContact O-CE2 3.42Å; G73-F93 WeakPolarHBondContact O-CB 2.96Å; G73-F93 WeakPolarHBondContact O-CG 3.45Å; G91-F93 WeakPolarHBondContact O-CD1 3.49Å; G91-F93 PolarHBondContact O-N 3.33Å; F93-H96 PolarHBondContact O-CE1 2.96Å; F93-R102 HydrophobicContact CE2-CG 4.35Å; F93-R102 HydrophobicContact CZ-CG 3.77Å; F93-S136 VanDerWaalsContact CE1-OG 3.28Å; F93-S136 WeakPolarHBondContact CE1-OG 3.33Å
94	T	98.1	Very high	98.2	Very high	55 Å²	55	42 Å²	42	34%	0.337	23%	0.227	S	C	.	.	S	Bend	trans	-109	-43.7	-179.7	64.5	0	0	0	0	112.9	D92 G100 G101	D92-T94 PolarHBondContact OD1-N 2.58Å; D92-T94 VanDerWaalsContact OD1-N 3.07Å; D92-T94 PolarHBondContact OD1-OG1 3.12Å; T94-G100 VanDerWaalsContact OG1-CA 3.22Å; T94-G100 WeakPolarHBondContact OG1-CA 3.4Å; T94-G101 PolarHBondContact OG1-N 3.46Å
95	N	98	Very high	98.2	Very high	83 Å²	83	41.1 Å²	41.1	44%	0.444	22%	0.221	S	C	.	.	S	Bend	trans	-113.8	-20	-177.1	-60.6	-1.3	0	0	0	112	D92 D97 T99	D92-N95 PolarHBondContact OD1-N 3.49Å; N95-D97 WeakPolarHBondContact CB-OD1 3.49Å; N95-D97 PolarHBondContact O-N 2.93Å; N95-T99 PolarHBondContact ND2-OG1 2.78Å
96	H	97.7	Very high	98.2	Very high	60 Å²	60	38 Å²	38	28%	0.278	21%	0.214	S	C	.	.	S	Bend	trans	58.9	23.7	177.7	-48.1	-59.1	0	0	0	114.7	K78 H80 D92 F93 R178	K78-H96 HydrophobicContact CD-CB 4.36Å; H80-H96 WeakPolarHBondContact CB-O 3.47Å; D92-H96 WeakPolarHBondContact O-CA 3.4Å; D92-H96 PolarHBondContact O-ND1 3.18Å; D92-H96 PolarHBondContact OD1-N 2.89Å; D92-H96 PolarHBondContact OD2-N 3.27Å; D92-H96 VanDerWaalsContact OD2-N 3.17Å; F93-H96 PolarHBondContact O-CE1 2.96Å; H96-R178 PolarHBondContact O-NH1 2.98Å
97	D	97.4	Very high	98.1	Very high	87 Å²	87	44.1 Å²	44.1	47%	0.465	24%	0.24	S	C	.	.	S	Bend	trans	-132	-0.4	-177.4	67.6	3.8	0	0	0	113.1	D92 N95 T99	D92-D97 PolarHBondContact OD2-N 2.87Å; D92-D97 VanDerWaalsContact OD2-N 3.16Å; N95-D97 WeakPolarHBondContact CB-OD1 3.49Å; N95-D97 PolarHBondContact O-N 2.93Å; D97-T99 WeakPolarHBondContact OD1-CB 3.36Å; D97-T99 WeakPolarHBondContact OD1-CG2 3.37Å; D97-T99 PolarHBondContact OD1-N 2.9Å; D97-T99 PolarHBondContact OD1-OG1 2.83Å; D97-T99 PolarHBondContact OD2-OG1 3.02Å
98	G	97.7	Very high	98.1	Very high	28 Å²	28	48.2 Å²	48.2	29%	0.289	26%	0.259	S	S	.	.	S	Bend	trans	95.7	-1.8	-180	0	0	0	0	0	114.1	H80 D92 Q137	H80-G98 WeakPolarHBondContact CD2-CA 3.39Å; H80-G98 PolarHBondContact CD2-N 2.99Å; H80-G98 VanDerWaalsContact NE2-CA 3.27Å; H80-G98 WeakPolarHBondContact NE2-CA 3.24Å; D92-G98 WeakPolarHBondContact OD2-CA 3.18Å; D92-G98 PolarHBondContact OD2-N 2.96Å; G98-Q137 VanDerWaalsContact C-NE2 3.3Å; G98-Q137 PolarHBondContact O-NE2 2.96Å
99	T	97.2	Very high	98.1	Very high	103 Å²	103	48.9 Å²	48.9	63%	0.632	26%	0.262	S	S	*	.	S	Bend	trans	-94.2	-6.7	177	68.4	0	0	0	0	113.4	D92 N95 D97	D92-T99 PolarHBondContact OD2-N 2.87Å; N95-T99 PolarHBondContact ND2-OG1 2.78Å; D97-T99 WeakPolarHBondContact OD1-CB 3.36Å; D97-T99 WeakPolarHBondContact OD1-CG2 3.37Å; D97-T99 PolarHBondContact OD1-N 2.9Å; D97-T99 PolarHBondContact OD1-OG1 2.83Å; D97-T99 PolarHBondContact OD2-OG1 3.02Å
100	G	97.5	Very high	98.1	Very high	14 Å²	14	51.6 Å²	51.6	14%	0.144	28%	0.282	C	S	.	.			trans	-113.6	-164.7	-175.4	0	0	0	0	0	115.3	D92 T94 Q137	D92-G100 VanDerWaalsContact CG-CA 3.48Å; D92-G100 VanDerWaalsContact OD1-C 3.22Å; D92-G100 WeakPolarHBondContact OD1-CA 3.47Å; D92-G100 WeakPolarHBondContact OD2-CA 3.34Å; D92-G100 PolarHBondContact OD2-N 3.45Å; T94-G100 VanDerWaalsContact OG1-CA 3.22Å; T94-G100 WeakPolarHBondContact OG1-CA 3.4Å; G100-Q137 PolarHBondContact O-NE2 3.31Å
101	G	97.9	Very high	98.1	Very high	20 Å²	20	52.7 Å²	52.7	21%	0.206	29%	0.288	C	S	.	.			trans	93.9	160.7	-175.2	0	0	0	0	0	114.1	D92 T94 S136	D92-G101 PolarHBondContact OD1-N 3.37Å; T94-G101 PolarHBondContact OG1-N 3.46Å; G101-S136 WeakPolarHBondContact CA-OG 3.28Å
102	R	98.4	Very high	98	Very high	93 Å²	93	55.2 Å²	55.2	35%	0.351	30%	0.3	S	S	.	.			trans	-157.7	151.1	177.3	62.8	-175.5	-176.9	-80.8	-1.1	110.5	F93 S136	F93-R102 HydrophobicContact CE2-CG 4.35Å; F93-R102 HydrophobicContact CZ-CG 3.77Å; R102-S136 PolarHBondContact N-OG 2.84Å; R102-S136 VanDerWaalsContact N-OG 3.15Å; R102-S136 WeakPolarHBondContact O-CB 3.24Å
103	S	98.6	Very high	98	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.028	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-77.5	169.9	174.7	78.3	0	0	0	0	112.1	N61 Y105 G106 F109	N61-S103 VanDerWaalsContact OD1-CA 3.23Å; N61-S103 WeakPolarHBondContact OD1-CA 3.37Å; N61-S103 VanDerWaalsContact OD1-CB 3.29Å; N61-S103 WeakPolarHBondContact OD1-CB 3.46Å; S103-Y105 PolarHBondContact O-N 3.36Å; S103-Y105 PolarHBondContact OG-N 3.13Å; S103-G106 CarbonylContact C-O 3.6Å; S103-G106 WeakPolarHBondContact CA-O 3.17Å; S103-G106 PolarHBondContact N-O 2.91Å; S103-G106 PolarHBondContact O-N 3.43Å; S103-G106 VanDerWaalsContact O-O 3.08Å; S103-G106 PolarHBondContact OG-N 2.88Å; S103-G106 PolarHBondContact OG-O 3.1Å; S103-F109 VanDerWaalsContact CB-CD1 3.47Å
104	I	98.5	Very high	98	Very high	41 Å²	41	60.4 Å²	60.4	21%	0.21	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13	168.2	68.5	171.5	0	0	0	113.2	K60 N61 E64 L65	K60-I104 HydrophobicContact CG-CD1 3.99Å; N61-I104 HydrophobicContact CB-CD1 4.47Å; N61-I104 HydrophobicContact CB-CG1 4.2Å; N61-I104 PolarHBondContact OD1-N 3.46Å; E64-I104 HydrophobicContact CB-CD1 4.1Å; E64-I104 HydrophobicContact CB-CG2 3.83Å; E64-I104 HydrophobicContact CG-CD1 4.15Å; L65-I104 HydrophobicContact CD2-CG2 4.15Å; L65-I104 HydrophobicContact CG-CG2 3.97Å
105	Y	98.4	Very high	98	Very high	100 Å²	100	65.3 Å²	65.3	39%	0.392	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	4.9	-177.5	-51.7	-62.9	0	0	0	113.1	K57 N61 S103 F109	K57-Y105 HydrophobicContact CB-CE2 4.33Å; K57-Y105 PolarHBondContact O-OH 3.16Å; N61-Y105 HydrophobicContact CB-CE2 4Å; S103-Y105 PolarHBondContact O-N 3.36Å; S103-Y105 PolarHBondContact OG-N 3.13Å; Y105-F109 HydrophobicContact CD2-CB 4.08Å; Y105-F109 HydrophobicContact CD2-CD1 4.27Å; Y105-F109 HydrophobicContact CD2-CG 4.07Å
106	G	97.8	Very high	98.1	Very high	37 Å²	37	62.1 Å²	62.1	38%	0.381	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	121.4	-160.6	-172.5	0	0	0	0	0	111.6	S103 Q108	S103-G106 CarbonylContact C-O 3.6Å; S103-G106 WeakPolarHBondContact CA-O 3.17Å; S103-G106 PolarHBondContact N-O 2.91Å; S103-G106 PolarHBondContact O-N 3.43Å; S103-G106 VanDerWaalsContact O-O 3.08Å; S103-G106 PolarHBondContact OG-N 2.88Å; S103-G106 PolarHBondContact OG-O 3.1Å; G106-Q108 VanDerWaalsContact C-N 3.34Å; G106-Q108 PolarHBondContact O-N 3.03Å
107	K	96.7	Very high	98.1	Very high	170 Å²	170	63.7 Å²	63.7	74%	0.739	33%	0.331	S	S	*	.	S	Bend	trans	-56.6	-47.7	-176.9	-170.2	179.7	178.4	-179.9	0	111.8
108	Q	97.8	Very high	98.1	Very high	88 Å²	88	59.6 Å²	59.6	41%	0.411	31%	0.309	S	S	.	.			trans	-143.6	164.2	-177.7	-72.5	170.4	-16.9	0	0	111.6	G106 N134	G106-Q108 VanDerWaalsContact C-N 3.34Å; G106-Q108 PolarHBondContact O-N 3.03Å; Q108-N134 CarbonylContact C-O 3.58Å; Q108-N134 WeakPolarHBondContact CA-O 3.41Å
109	F	98.7	Very high	98.2	Very high	13 Å²	13	60.4 Å²	60.4	6%	0.057	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-139.9	156.1	171.1	69.9	-80.4	0	0	0	112.4	T58 N61 S103 Y105 M126 D132 N134 G135	T58-F109 HydrophobicContact CG2-CE2 4.5Å; T58-F109 HydrophobicContact CG2-CZ 4.31Å; N61-F109 HydrophobicContact CB-CE1 4.37Å; N61-F109 HydrophobicContact CB-CZ 4.39Å; S103-F109 VanDerWaalsContact CB-CD1 3.47Å; Y105-F109 HydrophobicContact CD2-CB 4.08Å; Y105-F109 HydrophobicContact CD2-CD1 4.27Å; Y105-F109 HydrophobicContact CD2-CG 4.07Å; F109-M126 HydrophobicContact CE1-CE 4.13Å; F109-M126 HydrophobicContact CZ-CE 4.06Å; F109-D132 CarbonylContact O-C 3.53Å; F109-N134 HydrophobicContact CD1-CB 3.85Å; F109-N134 WeakPolarHBondContact CD1-O 3.26Å; F109-N134 HydrophobicContact CD2-CB 4.2Å; F109-N134 HydrophobicContact CE1-CB 3.5Å; F109-N134 VanDerWaalsContact CE1-CB 3.5Å; F109-N134 HydrophobicContact CE2-CB 3.87Å; F109-N134 HydrophobicContact CG-CB 4.2Å; F109-N134 HydrophobicContact CZ-CB 3.51Å; F109-N134 PolarHBondContact N-O 3.48Å; F109-N134 WeakPolarHBondContact O-CB 3.39Å; F109-N134 PolarHBondContact O-N 3.35Å; F109-N134 VanDerWaalsContact O-N 3.11Å; F109-N134 PolarHBondContact O-ND2 2.96Å; F109-G135 WeakPolarHBondContact CE1-O 3.24Å
110	P	98.6	Very high	98.2	Very high	83 Å²	83	55.5 Å²	55.5	54%	0.539	27%	0.274	S	S	.	.			trans	-64.4	161	-176.6	-24	35.3	0	0	0	115.2	E112 D132 N134	P110-E112 PolarHBondContact O-N 3.09Å; P110-D132 HydrophobicContact CB-CB 4.1Å; P110-N134 PolarHBondContact O-ND2 2.75Å
111	D	98.7	Very high	98.3	Very high	23 Å²	23	54.9 Å²	54.9	12%	0.123	27%	0.267	C	S	.	.			trans	-65.3	123.5	169.1	-65.2	-50.3	0	0	0	109.5	F114 D132 N134 V153	D111-F114 HydrophobicContact CB-CE1 4.3Å; D111-F114 HydrophobicContact CB-CE2 4.24Å; D111-F114 HydrophobicContact CB-CZ 3.67Å; D111-D132 PolarHBondContact N-OD1 2.91Å; D111-D132 PolarHBondContact OD2-N 3.27Å; D111-N134 WeakPolarHBondContact CA-ND2 3.12Å; D111-N134 PolarHBondContact N-ND2 3.15Å; D111-N134 PolarHBondContact OD1-ND2 3.15Å; D111-V153 HydrophobicContact CB-CG2 3.98Å
112	E	98.4	Very high	98.3	Very high	54 Å²	54	53.9 Å²	53.9	25%	0.252	26%	0.257	S	S	.	.			trans	-76.8	-44.5	-174.6	-172.2	163	-164.1	0	0	112.4	V55 P56 K57 T58 P110	V55-E112 VanDerWaalsContact C-CD 3.43Å; V55-E112 VanDerWaalsContact CA-CD 3.42Å; V55-E112 VanDerWaalsContact CA-OE2 3.23Å; V55-E112 WeakPolarHBondContact CA-OE2 3.3Å; V55-E112 HydrophobicContact CB-CB 4.49Å; V55-E112 HydrophobicContact CB-CG 4.35Å; V55-E112 WeakPolarHBondContact CB-OE2 3.33Å; V55-E112 HydrophobicContact CG1-CB 4.13Å; V55-E112 HydrophobicContact CG1-CG 4.16Å; P56-E112 WeakPolarHBondContact CD-OE1 3.37Å; P56-E112 VanDerWaalsContact CG-OE1 3.3Å; P56-E112 WeakPolarHBondContact CG-OE1 3.39Å; P56-E112 VanDerWaalsContact N-OE1 3.17Å; K57-E112 PolarHBondContact N-OE1 3.45Å; K57-E112 PolarHBondContact N-OE2 3.09Å; K57-E112 VanDerWaalsContact N-OE2 3.13Å; T58-E112 WeakPolarHBondContact CB-OE2 3.12Å; T58-E112 PolarHBondContact N-OE2 3.45Å; T58-E112 PolarHBondContact OG1-OE2 3.44Å; P110-E112 PolarHBondContact O-N 3.09Å
113	N	98.4	Very high	98.3	Very high	35 Å²	35	49.5 Å²	49.5	19%	0.187	24%	0.24	C	C	.	.			trans	-175.4	175.1	165.5	59.8	85.1	0	0	0	110.6	T54 V55 K115	T54-N113 PolarHBondContact O-ND2 3.45Å; V55-N113 WeakPolarHBondContact CG1-ND2 3.47Å; N113-K115 HydrophobicContact CB-CG 4.36Å; N113-K115 WeakPolarHBondContact OD1-CB 3.23Å; N113-K115 WeakPolarHBondContact OD1-CG 3.45Å; N113-K115 PolarHBondContact OD1-N 3.26Å; N113-K115 VanDerWaalsContact OD1-N 3.13Å
114	F	98.2	Very high	98.3	Very high	77 Å²	77	49.3 Å²	49.3	34%	0.338	24%	0.239	S	C	.	.			trans	-121.7	35.1	176	-54.5	-68.7	0	0	0	112.8	D111 L116 G150 V153	D111-F114 HydrophobicContact CB-CE1 4.3Å; D111-F114 HydrophobicContact CB-CE2 4.24Å; D111-F114 HydrophobicContact CB-CZ 3.67Å; F114-L116 PolarHBondContact O-N 3.02Å; F114-G150 WeakPolarHBondContact CE2-O 3.23Å; F114-G150 WeakPolarHBondContact CZ-O 3.43Å; F114-V153 HydrophobicContact CD1-CG2 4.49Å; F114-V153 HydrophobicContact CE1-CG2 4.04Å
115	K	98.3	Very high	98.4	Very high	159 Å²	159	47.3 Å²	47.3	69%	0.691	23%	0.229	S	C	*	.			trans	-65.4	-28.4	179.2	-68.5	175.1	-179.5	175.6	0	112.6	T54 N113	T54-K115 HydrophobicContact CG2-CB 4.31Å; T54-K115 HydrophobicContact CG2-CD 4.42Å; N113-K115 HydrophobicContact CB-CG 4.36Å; N113-K115 WeakPolarHBondContact OD1-CB 3.23Å; N113-K115 WeakPolarHBondContact OD1-CG 3.45Å; N113-K115 PolarHBondContact OD1-N 3.26Å; N113-K115 VanDerWaalsContact OD1-N 3.13Å
116	L	98.4	Very high	98.4	Very high	15 Å²	15	42.6 Å²	42.6	8%	0.079	21%	0.21	C	C	.	.	S	Bend	trans	-100.2	151.8	176.1	-59.5	178.6	0	0	0	110.4	P26 F51 T54 F114 Y119 V154	P26-L116 HydrophobicContact CB-CD1 4.05Å; P26-L116 HydrophobicContact CB-CD2 3.95Å; P26-L116 HydrophobicContact CG-CD1 4.4Å; P26-L116 HydrophobicContact CG-CD2 4.14Å; F51-L116 HydrophobicContact CB-CD1 4.21Å; F51-L116 HydrophobicContact CD2-CD1 3.28Å; F51-L116 HydrophobicContact CE2-CD1 3.86Å; F51-L116 HydrophobicContact CG-CD1 3.98Å; T54-L116 HydrophobicContact CG2-CD1 4.03Å; T54-L116 HydrophobicContact CG2-CG 4.02Å; F114-L116 PolarHBondContact O-N 3.02Å; L116-Y119 HydrophobicContact CB-CE2 4.47Å; L116-Y119 HydrophobicContact CD2-CE2 4.35Å; L116-V154 HydrophobicContact CB-CB 3.85Å; L116-V154 HydrophobicContact CB-CG1 3.96Å; L116-V154 HydrophobicContact CD1-CG1 4.47Å
117	Q	98.3	Very high	98.4	Very high	94 Å²	94	41.4 Å²	41.4	44%	0.439	20%	0.197	S	C	.	.			trans	-124.5	165.7	-177.5	-66.6	-178.7	-15.8	0	0	109.9	Y119 N149	Q117-Y119 VanDerWaalsContact C-N 3.27Å; Q117-Y119 HydrophobicContact CB-CD1 4.14Å; Q117-Y119 HydrophobicContact CB-CE1 3.78Å; Q117-Y119 HydrophobicContact CB-CE2 4.45Å; Q117-Y119 HydrophobicContact CG-CE1 4.5Å; Q117-Y119 WeakPolarHBondContact O-CD2 3.48Å; Q117-Y119 VanDerWaalsContact O-CE2 3.26Å; Q117-Y119 WeakPolarHBondContact O-CE2 3.45Å; Q117-Y119 PolarHBondContact O-N 3.15Å; Q117-N149 WeakPolarHBondContact CA-OD1 3.49Å; Q117-N149 WeakPolarHBondContact CB-OD1 3.34Å; Q117-N149 HydrophobicContact CG-CB 4.41Å
118	H	98.5	Very high	98.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.171	C	C	.	.			trans	-79.2	81.1	174.4	-54.2	83.1	0	0	0	108.4	G120 S125 F139 T141 T145 L148 N149 V154	H118-G120 VanDerWaalsContact C-N 3.27Å; H118-G120 PolarHBondContact O-N 3.19Å; H118-S125 VanDerWaalsContact NE2-CB 3.33Å; H118-S125 WeakPolarHBondContact NE2-CB 3.36Å; H118-S125 PolarHBondContact NE2-OG 3.31Å; H118-F139 AromaticContact CD2-CE2 3.8Å; H118-F139 AromaticContact NE2-CE2 3.69Å; H118-F139 AromaticContact NE2-CZ 3.47Å; H118-F139 WeakPolarHBondContact NE2-CZ 3.46Å; H118-T141 HydrophobicContact CB-CG2 4.47Å; H118-T145 VanDerWaalsContact CB-OG1 3.24Å; H118-T145 WeakPolarHBondContact CB-OG1 3.41Å; H118-L148 PolarHBondContact CE1-O 3.18Å; H118-N149 PolarHBondContact N-OD1 3.4Å; H118-N149 PolarHBondContact ND1-OD1 3.06Å; H118-V154 WeakPolarHBondContact NE2-CG2 3.44Å
119	Y	98.1	Very high	98.4	Very high	45 Å²	45	35.2 Å²	35.2	18%	0.176	19%	0.188	C	C	.	.			trans	-69.9	-24.7	-170.8	-58.4	-73	0	0	0	113.2	L116 Q117 W123 K201	L116-Y119 HydrophobicContact CB-CE2 4.47Å; L116-Y119 HydrophobicContact CD2-CE2 4.35Å; Q117-Y119 VanDerWaalsContact C-N 3.27Å; Q117-Y119 HydrophobicContact CB-CD1 4.14Å; Q117-Y119 HydrophobicContact CB-CE1 3.78Å; Q117-Y119 HydrophobicContact CB-CE2 4.45Å; Q117-Y119 HydrophobicContact CG-CE1 4.5Å; Q117-Y119 WeakPolarHBondContact O-CD2 3.48Å; Q117-Y119 VanDerWaalsContact O-CE2 3.26Å; Q117-Y119 WeakPolarHBondContact O-CE2 3.45Å; Q117-Y119 PolarHBondContact O-N 3.15Å; Y119-W123 AromaticContact CD2-CD2 3.98Å; Y119-W123 HydrophobicContact CD2-CD2 3.98Å; Y119-W123 AromaticContact CD2-CE2 3.7Å; Y119-W123 AromaticContact CD2-CE3 3.97Å; Y119-W123 HydrophobicContact CD2-CE3 3.97Å; Y119-W123 AromaticContact CD2-CH2 3.44Å; Y119-W123 HydrophobicContact CD2-CH2 3.44Å; Y119-W123 VanDerWaalsContact CD2-CH2 3.44Å; Y119-W123 AromaticContact CD2-CZ2 3.47Å; Y119-W123 HydrophobicContact CD2-CZ2 3.47Å; Y119-W123 VanDerWaalsContact CD2-CZ2 3.47Å; Y119-W123 AromaticContact CD2-CZ3 3.68Å; Y119-W123 HydrophobicContact CD2-CZ3 3.68Å; Y119-W123 HydrophobicContact CE2-CE3 4.49Å; Y119-W123 AromaticContact CE2-CH2 3.85Å; Y119-W123 HydrophobicContact CE2-CH2 3.85Å; Y119-W123 HydrophobicContact CE2-CZ2 4.33Å; Y119-W123 AromaticContact CE2-CZ3 3.93Å; Y119-W123 HydrophobicContact CE2-CZ3 3.93Å; Y119-W123 HydrophobicContact CG-CZ2 4.18Å; Y119-K201 WeakPolarHBondContact CB-O 3.3Å; Y119-K201 HydrophobicContact CD1-CB 4.32Å; Y119-K201 HydrophobicContact CD1-CD 4.12Å; Y119-K201 HydrophobicContact CD1-CG 4.44Å; Y119-K201 HydrophobicContact CD2-CB 4.38Å; Y119-K201 HydrophobicContact CD2-CG 4.23Å; Y119-K201 HydrophobicContact CE1-CD 3.74Å; Y119-K201 HydrophobicContact CE1-CG 4.39Å; Y119-K201 HydrophobicContact CE2-CD 4.21Å; Y119-K201 HydrophobicContact CE2-CG 4.16Å; Y119-K201 HydrophobicContact CG-CB 4.13Å; Y119-K201 HydrophobicContact CG-CG 4.36Å
120	G	98.3	Very high	98.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	178.3	-157.4	-171.8	0	0	0	0	0	113.8	H118 W123 T141 V143 D203	H118-G120 VanDerWaalsContact C-N 3.27Å; H118-G120 PolarHBondContact O-N 3.19Å; G120-W123 VanDerWaalsContact O-CD1 3.28Å; G120-T141 PolarHBondContact O-OG1 2.86Å; G120-V143 CarbonylContact C-O 3.56Å; G120-D203 WeakPolarHBondContact CA-OD1 3.26Å
121	A	98.7	Very high	98.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	147.2	173.4	0	0	0	0	0	112.2	T142 M162 D203 A204	A121-T142 VanDerWaalsContact CB-O 3.26Å; A121-T142 WeakPolarHBondContact CB-O 3.3Å; A121-M162 HydrophobicContact CB-CE 4.11Å; A121-D203 HydrophobicContact CB-CB 4.2Å; A121-D203 PolarHBondContact N-OD1 3.47Å; A121-A204 PolarHBondContact O-N 3.27Å
122	G	98.7	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	14.1	176.8	0	0	0	0	0	115.2	T141 K157 V158	G122-T141 PolarHBondContact N-O 2.83Å; G122-K157 CarbonylContact O-C 3.57Å; G122-K157 WeakPolarHBondContact O-CA 3.17Å; G122-V158 PolarHBondContact O-N 2.86Å
123	W	98.8	Very high	98.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.6	175.4	-70.6	78.8	0	0	0	110.6	P26 F51 Y119 G120 I140 T141 V154 K157	P26-W123 HydrophobicContact CG-CH2 3.97Å; P26-W123 HydrophobicContact CG-CZ3 4.07Å; F51-W123 AromaticContact CE2-CE3 4Å; F51-W123 HydrophobicContact CE2-CE3 4Å; F51-W123 HydrophobicContact CE2-CH2 4.49Å; F51-W123 AromaticContact CE2-CZ3 3.5Å; F51-W123 HydrophobicContact CE2-CZ3 3.5Å; F51-W123 HydrophobicContact CZ-CE3 4.34Å; F51-W123 HydrophobicContact CZ-CH2 4.25Å; F51-W123 AromaticContact CZ-CZ3 3.65Å; F51-W123 HydrophobicContact CZ-CZ3 3.65Å; Y119-W123 AromaticContact CD2-CD2 3.98Å; Y119-W123 HydrophobicContact CD2-CD2 3.98Å; Y119-W123 AromaticContact CD2-CE2 3.7Å; Y119-W123 AromaticContact CD2-CE3 3.97Å; Y119-W123 HydrophobicContact CD2-CE3 3.97Å; Y119-W123 AromaticContact CD2-CH2 3.44Å; Y119-W123 HydrophobicContact CD2-CH2 3.44Å; Y119-W123 VanDerWaalsContact CD2-CH2 3.44Å; Y119-W123 AromaticContact CD2-CZ2 3.47Å; Y119-W123 HydrophobicContact CD2-CZ2 3.47Å; Y119-W123 VanDerWaalsContact CD2-CZ2 3.47Å; Y119-W123 AromaticContact CD2-CZ3 3.68Å; Y119-W123 HydrophobicContact CD2-CZ3 3.68Å; Y119-W123 HydrophobicContact CE2-CE3 4.49Å; Y119-W123 AromaticContact CE2-CH2 3.85Å; Y119-W123 HydrophobicContact CE2-CH2 3.85Å; Y119-W123 HydrophobicContact CE2-CZ2 4.33Å; Y119-W123 AromaticContact CE2-CZ3 3.93Å; Y119-W123 HydrophobicContact CE2-CZ3 3.93Å; Y119-W123 HydrophobicContact CG-CZ2 4.18Å; G120-W123 VanDerWaalsContact O-CD1 3.28Å; W123-I140 WeakPolarHBondContact O-CA 3.47Å; W123-T141 PolarHBondContact N-OG1 3.31Å; W123-T141 VanDerWaalsContact N-OG1 3.07Å; W123-T141 PolarHBondContact O-N 2.87Å; W123-T141 PolarHBondContact O-OG1 2.96Å; W123-V154 HydrophobicContact CE3-CG1 3.62Å; W123-V154 HydrophobicContact CZ3-CG1 4.27Å; W123-K157 HydrophobicContact CD2-CG 4.41Å; W123-K157 HydrophobicContact CE3-CB 4.39Å; W123-K157 HydrophobicContact CH2-CD 4.22Å; W123-K157 HydrophobicContact CZ2-CD 3.81Å; W123-K157 HydrophobicContact CZ2-CG 4.46Å
124	L	98.9	Very high	98.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.9	-179.2	179.9	68.7	0	0	0	110.1	I48 L50 F62 F138 I140 F155 G156	I48-L124 HydrophobicContact CD1-CD2 4.35Å; I48-L124 HydrophobicContact CG2-CB 4.37Å; I48-L124 HydrophobicContact CG2-CD2 3.78Å; L50-L124 HydrophobicContact CD2-CD2 3.91Å; F62-L124 HydrophobicContact CD2-CD2 4.42Å; F62-L124 HydrophobicContact CE1-CD2 4.01Å; F62-L124 HydrophobicContact CE2-CD1 4.4Å; F62-L124 HydrophobicContact CE2-CD2 3.92Å; F62-L124 HydrophobicContact CZ-CD1 4.45Å; F62-L124 HydrophobicContact CZ-CD2 3.68Å; L124-F138 HydrophobicContact CD1-CB 3.95Å; L124-F138 HydrophobicContact CD1-CD2 3.37Å; L124-F138 HydrophobicContact CD1-CE2 4.16Å; L124-F138 HydrophobicContact CD1-CG 3.93Å; L124-I140 HydrophobicContact CD1-CG1 3.73Å; L124-F155 HydrophobicContact CD1-CE1 4.44Å; L124-F155 HydrophobicContact CD1-CZ 4.06Å; L124-F155 HydrophobicContact CD2-CD2 3.97Å; L124-F155 HydrophobicContact CD2-CE1 4.15Å; L124-F155 HydrophobicContact CD2-CE2 3.23Å; L124-F155 HydrophobicContact CD2-CZ 3.35Å; L124-F155 HydrophobicContact CG-CD1 4.37Å; L124-F155 HydrophobicContact CG-CD2 4.41Å; L124-F155 HydrophobicContact CG-CE1 3.75Å; L124-F155 HydrophobicContact CG-CE2 3.79Å; L124-F155 HydrophobicContact CG-CZ 3.42Å; L124-F155 VanDerWaalsContact CG-CZ 3.42Å; L124-F155 PolarHBondContact O-N 3.4Å; L124-G156 PolarHBondContact N-O 2.99Å; L124-G156 PolarHBondContact O-N 2.81Å
125	S	98.9	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153	-175.1	-165.8	0	0	0	0	112.3	H118 F138 F139 H152 V153 F155	H118-S125 VanDerWaalsContact NE2-CB 3.33Å; H118-S125 WeakPolarHBondContact NE2-CB 3.36Å; H118-S125 PolarHBondContact NE2-OG 3.31Å; S125-F138 CarbonylContact O-C 3.51Å; S125-F138 VanDerWaalsContact O-CA 3.28Å; S125-F138 WeakPolarHBondContact O-CA 3.38Å; S125-F139 PolarHBondContact N-O 3.33Å; S125-F139 PolarHBondContact O-N 3.15Å; S125-F139 WeakPolarHBondContact OG-CZ 3.48Å; S125-H152 WeakPolarHBondContact OG-CB 3.28Å; S125-V153 VanDerWaalsContact CA-O 3.3Å; S125-V153 WeakPolarHBondContact CA-O 3.35Å; S125-V153 PolarHBondContact OG-O 2.74Å; S125-F155 VanDerWaalsContact C-CE1 3.45Å
126	M	98.9	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.7	-179.7	-67.7	-56	-59.9	0	0	110.9	T58 F109 N134 G135 Q137 F139 H152 V153 F155	T58-M126 HydrophobicContact CG2-CG 3.66Å; T58-M126 HydrophobicContact CG2-SD 3.78Å; F109-M126 HydrophobicContact CE1-CE 4.13Å; F109-M126 HydrophobicContact CZ-CE 4.06Å; M126-N134 WeakPolarHBondContact CB-OD1 3.36Å; M126-N134 HydrophobicContact CE-CB 4.06Å; M126-N134 HydrophobicContact CG-CB 4.47Å; M126-G135 VanDerWaalsContact CE-O 3.3Å; M126-G135 WeakPolarHBondContact CE-O 3.25Å; M126-Q137 WeakPolarHBondContact CE-O 3.41Å; M126-F139 WeakPolarHBondContact O-CE1 3.31Å; M126-H152 WeakPolarHBondContact O-CB 3.21Å; M126-H152 PolarHBondContact O-ND1 3.19Å; M126-V153 HydrophobicContact CB-CB 4.44Å; M126-V153 HydrophobicContact CG-CB 4.2Å; M126-V153 PolarHBondContact N-O 2.84Å; M126-F155 HydrophobicContact CG-CD1 3.87Å; M126-F155 HydrophobicContact CG-CE1 3.78Å; M126-F155 HydrophobicContact SD-CD1 3.9Å; M126-F155 HydrophobicContact SD-CE1 3.33Å; M126-F155 WeakPolarHBondContact SD-CE1 3.45Å; M126-F155 HydrophobicContact SD-CZ 3.76Å
127	A	98.7	Very high	98.3	Very high	13 Å²	13	28.4 Å²	28.4	11%	0.107	16%	0.163	C	C	.	.			trans	-83.1	132.6	163.7	0	0	0	0	0	108.6	Q137 F139	A127-Q137 HydrophobicContact CB-CB 3.79Å; A127-Q137 PolarHBondContact N-O 2.87Å; A127-F139 HydrophobicContact CB-CD1 4.21Å
128	N	98.1	Very high	98.4	Very high	35 Å²	35	23.9 Å²	23.9	19%	0.187	14%	0.142	C	C	.	.			trans	-139.6	163.5	-179.7	67	38.9	0	0	0	110.3	G130 R151 H152	N128-G130 VanDerWaalsContact C-N 3.33Å; N128-G130 PolarHBondContact OD1-N 3.08Å; N128-G130 PolarHBondContact OD1-O 3.34Å; N128-R151 PolarHBondContact ND2-O 3.49Å; N128-H152 PolarHBondContact OD1-CE1 3.45Å
129	A	96.4	Very high	98.4	Very high	92 Å²	92	24.3 Å²	24.3	76%	0.76	14%	0.144	S	C	*	.	S	Bend	trans	-98.5	23.2	176.7	0	0	0	0	0	112	T133	A129-T133 WeakPolarHBondContact CA-OG1 3.5Å; A129-T133 PolarHBondContact N-OG1 3Å
130	G	96.3	Very high	98.4	Very high	33 Å²	33	22.1 Å²	22.1	34%	0.34	14%	0.136	S	C	.	.	S	Bend	trans	126.1	178.2	-169.8	0	0	0	0	0	112.5	N128 D132 T133	N128-G130 VanDerWaalsContact C-N 3.33Å; N128-G130 PolarHBondContact OD1-N 3.08Å; N128-G130 PolarHBondContact OD1-O 3.34Å; G130-D132 PolarHBondContact O-N 3.46Å; G130-T133 PolarHBondContact N-OG1 3.31Å; G130-T133 PolarHBondContact O-N 2.92Å; G130-T133 PolarHBondContact O-OG1 2.66Å
131	K	98	Very high	98.4	Very high	159 Å²	159	22.1 Å²	22.1	69%	0.691	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	133.8	-178.3	-172.5	-177.5	-175.9	-66.9	0	111.1	T133	K131-T133 VanDerWaalsContact C-N 3.29Å; K131-T133 PolarHBondContact O-N 3.23Å
132	D	98.1	Very high	98.4	Very high	59 Å²	59	22.1 Å²	22.1	32%	0.316	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	25.7	175.2	-57.5	-35.4	0	0	0	116.2	F109 P110 D111 G130	F109-D132 CarbonylContact O-C 3.53Å; P110-D132 HydrophobicContact CB-CB 4.1Å; D111-D132 PolarHBondContact N-OD1 2.91Å; D111-D132 PolarHBondContact OD2-N 3.27Å; G130-D132 PolarHBondContact O-N 3.46Å
133	T	98.5	Very high	98.4	Very high	30 Å²	30	24.2 Å²	24.2	18%	0.184	15%	0.148	C	C	.	.			trans	-113.1	29.7	-178.5	64.1	0	0	0	0	114	A129 G130 K131 G135	A129-T133 WeakPolarHBondContact CA-OG1 3.5Å; A129-T133 PolarHBondContact N-OG1 3Å; G130-T133 PolarHBondContact N-OG1 3.31Å; G130-T133 PolarHBondContact O-N 2.92Å; G130-T133 PolarHBondContact O-OG1 2.66Å; K131-T133 VanDerWaalsContact C-N 3.29Å; K131-T133 PolarHBondContact O-N 3.23Å; T133-G135 PolarHBondContact O-N 3.07Å
134	N	98.8	Very high	98.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-66.7	133.9	-179.4	-60.4	-63.4	0	0	0	110.9	Q108 F109 P110 D111 M126	Q108-N134 CarbonylContact C-O 3.58Å; Q108-N134 WeakPolarHBondContact CA-O 3.41Å; F109-N134 HydrophobicContact CD1-CB 3.85Å; F109-N134 WeakPolarHBondContact CD1-O 3.26Å; F109-N134 HydrophobicContact CD2-CB 4.2Å; F109-N134 HydrophobicContact CE1-CB 3.5Å; F109-N134 VanDerWaalsContact CE1-CB 3.5Å; F109-N134 HydrophobicContact CE2-CB 3.87Å; F109-N134 HydrophobicContact CG-CB 4.2Å; F109-N134 HydrophobicContact CZ-CB 3.51Å; F109-N134 PolarHBondContact N-O 3.48Å; F109-N134 WeakPolarHBondContact O-CB 3.39Å; F109-N134 PolarHBondContact O-N 3.35Å; F109-N134 VanDerWaalsContact O-N 3.11Å; F109-N134 PolarHBondContact O-ND2 2.96Å; P110-N134 PolarHBondContact O-ND2 2.75Å; D111-N134 WeakPolarHBondContact CA-ND2 3.12Å; D111-N134 PolarHBondContact N-ND2 3.15Å; D111-N134 PolarHBondContact OD1-ND2 3.15Å; M126-N134 WeakPolarHBondContact CB-OD1 3.36Å; M126-N134 HydrophobicContact CE-CB 4.06Å; M126-N134 HydrophobicContact CG-CB 4.47Å
135	G	98.5	Very high	98.4	Very high	10 Å²	10	30.3 Å²	30.3	10%	0.103	18%	0.175	C	C	.	.			trans	-121.5	-124.1	178.7	0	0	0	0	0	111.9	N61 F109 M126 T133	N61-G135 PolarHBondContact ND2-O 3.35Å; F109-G135 WeakPolarHBondContact CE1-O 3.24Å; M126-G135 VanDerWaalsContact CE-O 3.3Å; M126-G135 WeakPolarHBondContact CE-O 3.25Å; T133-G135 PolarHBondContact O-N 3.07Å
136	S	98.7	Very high	98.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	19%	0.192	C	C	.	.	S	Bend	trans	-102.4	-13.4	168.8	54	0	0	0	0	113.8	Y74 G91 F93 G101 R102	Y74-S136 WeakPolarHBondContact CE1-O 3.48Å; Y74-S136 PolarHBondContact OH-O 2.94Å; Y74-S136 VanDerWaalsContact OH-O 3.09Å; G91-S136 WeakPolarHBondContact O-CB 3.44Å; G91-S136 PolarHBondContact O-OG 3.11Å; F93-S136 VanDerWaalsContact CE1-OG 3.28Å; F93-S136 WeakPolarHBondContact CE1-OG 3.33Å; G101-S136 WeakPolarHBondContact CA-OG 3.28Å; R102-S136 PolarHBondContact N-OG 2.84Å; R102-S136 VanDerWaalsContact N-OG 3.15Å; R102-S136 WeakPolarHBondContact O-CB 3.24Å
137	Q	98.9	Very high	98.3	Very high	24 Å²	24	40.1 Å²	40.1	11%	0.112	22%	0.22	C	C	.	.			trans	-72.9	142.2	-176.8	-66.2	-168.1	44.3	0	0	111.5	H80 G90 D92 G98 G100 M126 A127	H80-Q137 PolarHBondContact CE1-OE1 3.22Å; H80-Q137 VanDerWaalsContact CE1-OE1 3.28Å; H80-Q137 PolarHBondContact NE2-OE1 3.26Å; H80-Q137 VanDerWaalsContact NE2-OE1 3.08Å; G90-Q137 VanDerWaalsContact O-CA 3.26Å; G90-Q137 WeakPolarHBondContact O-CA 3.12Å; D92-Q137 HydrophobicContact CB-CG 4.19Å; G98-Q137 VanDerWaalsContact C-NE2 3.3Å; G98-Q137 PolarHBondContact O-NE2 2.96Å; G100-Q137 PolarHBondContact O-NE2 3.31Å; M126-Q137 WeakPolarHBondContact CE-O 3.41Å; A127-Q137 HydrophobicContact CB-CB 3.79Å; A127-Q137 PolarHBondContact N-O 2.87Å
138	F	98.9	Very high	98.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	163	-178.2	66.1	-91.6	0	0	0	109.8	F34 F62 Y74 F79 Q89 G90 L124 S125 I140 F155 I185	F34-F138 HydrophobicContact CE2-CE1 4.26Å; F34-F138 HydrophobicContact CE2-CE2 4.02Å; F34-F138 AromaticContact CE2-CZ 3.52Å; F34-F138 HydrophobicContact CE2-CZ 3.52Å; F34-F138 HydrophobicContact CZ-CE1 4.31Å; F34-F138 HydrophobicContact CZ-CZ 4.02Å; F62-F138 HydrophobicContact CD2-CD1 4.46Å; F62-F138 HydrophobicContact CE2-CB 4.19Å; F62-F138 AromaticContact CE2-CD1 3.58Å; F62-F138 HydrophobicContact CE2-CD1 3.58Å; F62-F138 HydrophobicContact CE2-CD2 4.33Å; F62-F138 AromaticContact CE2-CE1 3.96Å; F62-F138 HydrophobicContact CE2-CE1 3.96Å; F62-F138 AromaticContact CE2-CG 3.77Å; F62-F138 HydrophobicContact CE2-CG 3.77Å; F62-F138 HydrophobicContact CE2-CZ 4.5Å; F62-F138 HydrophobicContact CZ-CD1 4.39Å; F62-F138 HydrophobicContact CZ-CE1 4.4Å; Y74-F138 HydrophobicContact CD1-CE1 4.1Å; Y74-F138 HydrophobicContact CE1-CD1 4.04Å; Y74-F138 AromaticContact CE1-CE1 3.9Å; Y74-F138 HydrophobicContact CE1-CE1 3.9Å; F79-F138 AromaticContact CE1-CE2 3.79Å; F79-F138 HydrophobicContact CE1-CE2 3.79Å; F79-F138 HydrophobicContact CE1-CZ 4.12Å; F79-F138 HydrophobicContact CZ-CE2 4.14Å; F79-F138 HydrophobicContact CZ-CZ 4.2Å; Q89-F138 VanDerWaalsContact CA-O 3.32Å; Q89-F138 WeakPolarHBondContact CA-O 3.33Å; Q89-F138 WeakPolarHBondContact CG-O 3.01Å; G90-F138 PolarHBondContact N-O 3.39Å; G90-F138 PolarHBondContact O-N 3.02Å; L124-F138 HydrophobicContact CD1-CB 3.95Å; L124-F138 HydrophobicContact CD1-CD2 3.37Å; L124-F138 HydrophobicContact CD1-CE2 4.16Å; L124-F138 HydrophobicContact CD1-CG 3.93Å; S125-F138 CarbonylContact O-C 3.51Å; S125-F138 VanDerWaalsContact O-CA 3.28Å; S125-F138 WeakPolarHBondContact O-CA 3.38Å; F138-I140 HydrophobicContact CD2-CG1 4.5Å; F138-I140 HydrophobicContact CE2-CG1 4.46Å; F138-F155 HydrophobicContact CB-CE1 4.48Å; F138-F155 HydrophobicContact CB-CZ 4.27Å; F138-I185 HydrophobicContact CZ-CD1 4.2Å
139	F	98.9	Very high	98.3	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.039	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.2	167.1	63.1	-93.1	0	0	0	111.8	M87 I88 Q89 H118 S125 M126 A127 T141 L148 H152	M87-F139 HydrophobicContact CB-CB 4.21Å; M87-F139 HydrophobicContact CB-CD2 4.12Å; M87-F139 HydrophobicContact CG-CB 4.33Å; M87-F139 HydrophobicContact SD-CB 3.94Å; I88-F139 CarbonylContact O-C 3.52Å; I88-F139 WeakPolarHBondContact O-CA 3.26Å; Q89-F139 HydrophobicContact CB-CB 4.08Å; H118-F139 AromaticContact CD2-CE2 3.8Å; H118-F139 AromaticContact NE2-CE2 3.69Å; H118-F139 AromaticContact NE2-CZ 3.47Å; H118-F139 WeakPolarHBondContact NE2-CZ 3.46Å; S125-F139 PolarHBondContact N-O 3.33Å; S125-F139 PolarHBondContact O-N 3.15Å; S125-F139 WeakPolarHBondContact OG-CZ 3.48Å; M126-F139 WeakPolarHBondContact O-CE1 3.31Å; A127-F139 HydrophobicContact CB-CD1 4.21Å; F139-T141 HydrophobicContact CD2-CG2 4.05Å; F139-T141 HydrophobicContact CE2-CG2 3.81Å; F139-L148 HydrophobicContact CE1-CD1 4.44Å; F139-L148 HydrophobicContact CE2-CD1 3.6Å; F139-L148 HydrophobicContact CZ-CD1 3.49Å; F139-L148 VanDerWaalsContact CZ-CD1 3.49Å; F139-H152 HydrophobicContact CE1-CB 3.99Å; F139-H152 AromaticContact CE1-CG 3.87Å; F139-H152 AromaticContact CE1-ND1 3.89Å; F139-H152 HydrophobicContact CZ-CB 3.9Å
140	I	98.9	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123	169	-58.9	171.8	0	0	0	107.1	I48 M87 I88 W123 L124 F138 V158 V165	I48-I140 HydrophobicContact CD1-CD1 4.29Å; M87-I140 CarbonylContact C-O 3.52Å; M87-I140 VanDerWaalsContact CA-O 3.24Å; M87-I140 WeakPolarHBondContact CA-O 3.44Å; M87-I140 WeakPolarHBondContact CB-O 3.28Å; I88-I140 HydrophobicContact CD1-CB 4.36Å; I88-I140 HydrophobicContact CD1-CD1 4.34Å; I88-I140 HydrophobicContact CG1-CB 3.83Å; I88-I140 PolarHBondContact N-O 2.95Å; I88-I140 PolarHBondContact O-N 2.81Å; W123-I140 WeakPolarHBondContact O-CA 3.47Å; L124-I140 HydrophobicContact CD1-CG1 3.73Å; F138-I140 HydrophobicContact CD2-CG1 4.5Å; F138-I140 HydrophobicContact CE2-CG1 4.46Å; I140-V158 HydrophobicContact CD1-CG2 4.28Å; I140-V158 HydrophobicContact CG2-CG2 3.87Å; I140-V165 HydrophobicContact CD1-CG2 4.48Å; I140-V165 HydrophobicContact CG2-CG1 4.12Å; I140-V165 HydrophobicContact CG2-CG2 4.48Å
141	T	98.9	Very high	98.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	143.3	177.3	58.6	0	0	0	0	110.7	H118 G120 G122 W123 F139 V143 T145	H118-T141 HydrophobicContact CB-CG2 4.47Å; G120-T141 PolarHBondContact O-OG1 2.86Å; G122-T141 PolarHBondContact N-O 2.83Å; W123-T141 PolarHBondContact N-OG1 3.31Å; W123-T141 VanDerWaalsContact N-OG1 3.07Å; W123-T141 PolarHBondContact O-N 2.87Å; W123-T141 PolarHBondContact O-OG1 2.96Å; F139-T141 HydrophobicContact CD2-CG2 4.05Å; F139-T141 HydrophobicContact CE2-CG2 3.81Å; T141-V143 WeakPolarHBondContact CB-O 3.48Å; T141-T145 HydrophobicContact CG2-CG2 4.2Å; T141-T145 VanDerWaalsContact CG2-OG1 3.24Å; T141-T145 WeakPolarHBondContact CG2-OG1 3.22Å
142	T	98.7	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-109.9	-10.6	174.2	62.6	0	0	0	0	112.4	F86 I88 A121 V165 R166 E169	F86-T142 VanDerWaalsContact C-OG1 3.27Å; F86-T142 PolarHBondContact N-OG1 3.34Å; F86-T142 VanDerWaalsContact N-OG1 3.11Å; F86-T142 PolarHBondContact O-N 2.87Å; F86-T142 PolarHBondContact O-OG1 3.27Å; I88-T142 HydrophobicContact CG2-CG2 4.4Å; A121-T142 VanDerWaalsContact CB-O 3.26Å; A121-T142 WeakPolarHBondContact CB-O 3.3Å; T142-V165 HydrophobicContact CG2-CG1 4.11Å; T142-R166 PolarHBondContact O-NH1 2.92Å; T142-R166 PolarHBondContact O-NH2 2.8Å; T142-E169 WeakPolarHBondContact CB-OE1 2.98Å; T142-E169 HydrophobicContact CG2-CB 4.03Å; T142-E169 HydrophobicContact CG2-CG 3.94Å; T142-E169 PolarHBondContact OG1-OE1 3.23Å
143	V	98.5	Very high	98.5	Very high	44 Å²	44	35.8 Å²	35.8	27%	0.267	18%	0.178	S	C	.	.	S	Bend	trans	-140.4	176.5	170.4	-60.7	0	0	0	0	109.2	D85 G120 T141 T145	D85-V143 HydrophobicContact CB-CG1 4.28Å; D85-V143 WeakPolarHBondContact O-CG2 3.42Å; G120-V143 CarbonylContact C-O 3.56Å; T141-V143 WeakPolarHBondContact CB-O 3.48Å; V143-T145 HydrophobicContact CG2-CG2 4.14Å; V143-T145 PolarHBondContact O-N 2.84Å
144	K	98.3	Very high	98.5	Very high	127 Å²	127	34.5 Å²	34.5	55%	0.552	17%	0.17	S	C	*	.			trans	-68.5	123.6	171	-174.2	173.3	-177.1	172.7	0	111	S146 W147	K144-S146 WeakPolarHBondContact CE-OG 3.2Å; K144-W147 WeakPolarHBondContact O-CZ3 3.38Å
145	T	98	Very high	98.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.			trans	-120.3	57.2	-175	54.5	0	0	0	0	112.4	F86 H118 T141 V143 W147 L148	F86-T145 HydrophobicContact CD2-CG2 3.6Å; F86-T145 HydrophobicContact CE2-CG2 3.81Å; H118-T145 VanDerWaalsContact CB-OG1 3.24Å; H118-T145 WeakPolarHBondContact CB-OG1 3.41Å; T141-T145 HydrophobicContact CG2-CG2 4.2Å; T141-T145 VanDerWaalsContact CG2-OG1 3.24Å; T141-T145 WeakPolarHBondContact CG2-OG1 3.22Å; V143-T145 HydrophobicContact CG2-CG2 4.14Å; V143-T145 PolarHBondContact O-N 2.84Å; T145-W147 HydrophobicContact CG2-CH2 3.78Å; T145-W147 HydrophobicContact CG2-CZ2 3.68Å; T145-W147 PolarHBondContact O-N 3.13Å; T145-L148 WeakPolarHBondContact O-CB 3.28Å; T145-L148 PolarHBondContact O-N 2.96Å
146	S	98	Very high	98.6	Very high	51 Å²	51	34 Å²	34	36%	0.357	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-61.8	-21.1	-170.8	-60.4	0	0	0	0	115.3	K144 L148 N149	K144-S146 WeakPolarHBondContact CE-OG 3.2Å; S146-L148 PolarHBondContact O-N 2.67Å; S146-N149 VanDerWaalsContact O-CB 3.25Å; S146-N149 WeakPolarHBondContact O-CB 3.34Å; S146-N149 VanDerWaalsContact O-CG 3.23Å; S146-N149 PolarHBondContact O-N 2.79Å; S146-N149 VanDerWaalsContact O-N 3.15Å; S146-N149 PolarHBondContact O-ND2 2.87Å
147	W	98.4	Very high	98.6	Very high	156 Å²	156	34.6 Å²	34.6	59%	0.591	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-67.4	-15.5	174.5	59.8	92.7	0	0	0	113.7	F86 K144 T145	F86-W147 AromaticContact CD2-CZ2 3.71Å; F86-W147 HydrophobicContact CD2-CZ2 3.71Å; F86-W147 AromaticContact CE2-CZ2 3.65Å; F86-W147 HydrophobicContact CE2-CZ2 3.65Å; F86-W147 AromaticContact CE2-NE1 3.86Å; K144-W147 WeakPolarHBondContact O-CZ3 3.38Å; T145-W147 HydrophobicContact CG2-CH2 3.78Å; T145-W147 HydrophobicContact CG2-CZ2 3.68Å; T145-W147 PolarHBondContact O-N 3.13Å
148	L	98.2	Very high	98.6	Very high	18 Å²	18	33.6 Å²	33.6	9%	0.094	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-86.5	-9.1	174.6	-57.9	-174.6	0	0	0	113.1	F86 H118 F139 T145 S146 R151 H152	F86-L148 HydrophobicContact CE2-CD1 3.96Å; F86-L148 HydrophobicContact CZ-CD1 4.34Å; H118-L148 PolarHBondContact CE1-O 3.18Å; F139-L148 HydrophobicContact CE1-CD1 4.44Å; F139-L148 HydrophobicContact CE2-CD1 3.6Å; F139-L148 HydrophobicContact CZ-CD1 3.49Å; F139-L148 VanDerWaalsContact CZ-CD1 3.49Å; T145-L148 WeakPolarHBondContact O-CB 3.28Å; T145-L148 PolarHBondContact O-N 2.96Å; S146-L148 PolarHBondContact O-N 2.67Å; L148-R151 PolarHBondContact O-N 3.41Å; L148-H152 PolarHBondContact O-N 2.92Å
149	N	98.3	Very high	98.5	Very high	38 Å²	38	36 Å²	36	20%	0.203	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	140	-179.3	-67.8	-16.8	0	0	0	111.2	Q117 H118 S146 R151	Q117-N149 WeakPolarHBondContact CA-OD1 3.49Å; Q117-N149 WeakPolarHBondContact CB-OD1 3.34Å; Q117-N149 HydrophobicContact CG-CB 4.41Å; H118-N149 PolarHBondContact N-OD1 3.4Å; H118-N149 PolarHBondContact ND1-OD1 3.06Å; S146-N149 VanDerWaalsContact O-CB 3.25Å; S146-N149 WeakPolarHBondContact O-CB 3.34Å; S146-N149 VanDerWaalsContact O-CG 3.23Å; S146-N149 PolarHBondContact O-N 2.79Å; S146-N149 VanDerWaalsContact O-N 3.15Å; S146-N149 PolarHBondContact O-ND2 2.87Å; N149-R151 PolarHBondContact O-N 2.96Å
150	G	97.9	Very high	98.5	Very high	43 Å²	43	41.1 Å²	41.1	44%	0.443	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	5.5	-178.5	0	0	0	0	0	114.7	F114	F114-G150 WeakPolarHBondContact CE2-O 3.23Å; F114-G150 WeakPolarHBondContact CZ-O 3.43Å
151	R	98.3	Very high	98.5	Very high	171 Å²	171	41.7 Å²	41.7	65%	0.645	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.2	-29.8	-178.9	-59.7	177.9	-175.5	-95	-0.2	113.1	N128 L148 N149	N128-R151 PolarHBondContact ND2-O 3.49Å; L148-R151 PolarHBondContact O-N 3.41Å; N149-R151 PolarHBondContact O-N 2.96Å
152	H	98.7	Very high	98.5	Very high	30 Å²	30	41.9 Å²	41.9	14%	0.139	21%	0.206	C	C	.	.	S	Bend	trans	-125.1	129.3	179.7	-60.8	-81.2	0	0	0	109.8	S125 M126 N128 F139 L148 V154	S125-H152 WeakPolarHBondContact OG-CB 3.28Å; M126-H152 WeakPolarHBondContact O-CB 3.21Å; M126-H152 PolarHBondContact O-ND1 3.19Å; N128-H152 PolarHBondContact OD1-CE1 3.45Å; F139-H152 HydrophobicContact CE1-CB 3.99Å; F139-H152 AromaticContact CE1-CG 3.87Å; F139-H152 AromaticContact CE1-ND1 3.89Å; F139-H152 HydrophobicContact CZ-CB 3.9Å; L148-H152 PolarHBondContact O-N 2.92Å; H152-V154 PolarHBondContact O-N 3.01Å
153	V	98.8	Very high	98.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.			trans	-73.8	111.8	-178.2	179.9	0	0	0	0	109.1	V55 T58 D111 F114 S125 M126 F155	V55-V153 HydrophobicContact CB-CG1 4.47Å; V55-V153 HydrophobicContact CG1-CG1 3.86Å; T58-V153 HydrophobicContact CG2-CG1 4.18Å; D111-V153 HydrophobicContact CB-CG2 3.98Å; F114-V153 HydrophobicContact CD1-CG2 4.49Å; F114-V153 HydrophobicContact CE1-CG2 4.04Å; S125-V153 VanDerWaalsContact CA-O 3.3Å; S125-V153 WeakPolarHBondContact CA-O 3.35Å; S125-V153 PolarHBondContact OG-O 2.74Å; M126-V153 HydrophobicContact CB-CB 4.44Å; M126-V153 HydrophobicContact CG-CB 4.2Å; M126-V153 PolarHBondContact N-O 2.84Å; V153-F155 WeakPolarHBondContact O-CD1 3.04Å
154	V	98.9	Very high	98.5	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.9	171.1	175.9	0	0	0	0	109.1	L116 H118 W123 H152	L116-V154 HydrophobicContact CB-CB 3.85Å; L116-V154 HydrophobicContact CB-CG1 3.96Å; L116-V154 HydrophobicContact CD1-CG1 4.47Å; H118-V154 WeakPolarHBondContact NE2-CG2 3.44Å; W123-V154 HydrophobicContact CE3-CG1 3.62Å; W123-V154 HydrophobicContact CZ3-CG1 4.27Å; H152-V154 PolarHBondContact O-N 3.01Å
155	F	98.8	Very high	98.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	-0.4	-171.4	70.4	-86.7	0	0	0	115	L50 F51 V55 T58 F62 L124 S125 M126 F138 V153	L50-F155 WeakPolarHBondContact CA-O 3.3Å; L50-F155 HydrophobicContact CD2-CD2 4.06Å; L50-F155 HydrophobicContact CD2-CE2 4.11Å; F51-F155 VanDerWaalsContact CD2-C 3.44Å; F51-F155 PolarHBondContact N-O 2.95Å; V55-F155 HydrophobicContact CG2-CB 3.49Å; V55-F155 VanDerWaalsContact CG2-CB 3.49Å; T58-F155 HydrophobicContact CG2-CB 3.65Å; T58-F155 HydrophobicContact CG2-CD1 3.79Å; T58-F155 HydrophobicContact CG2-CD2 4.14Å; T58-F155 HydrophobicContact CG2-CE1 4.44Å; T58-F155 HydrophobicContact CG2-CG 3.61Å; F62-F155 HydrophobicContact CB-CD2 4.44Å; F62-F155 HydrophobicContact CB-CE2 3.67Å; F62-F155 HydrophobicContact CB-CZ 4.38Å; F62-F155 HydrophobicContact CD1-CE2 4.14Å; F62-F155 AromaticContact CD2-CE2 3.42Å; F62-F155 HydrophobicContact CD2-CE2 3.42Å; F62-F155 VanDerWaalsContact CD2-CE2 3.42Å; F62-F155 AromaticContact CD2-CZ 3.42Å; F62-F155 HydrophobicContact CD2-CZ 3.42Å; F62-F155 VanDerWaalsContact CD2-CZ 3.42Å; F62-F155 HydrophobicContact CE2-CE2 4.01Å; F62-F155 AromaticContact CE2-CZ 3.8Å; F62-F155 HydrophobicContact CE2-CZ 3.8Å; F62-F155 AromaticContact CG-CE2 3.49Å; F62-F155 HydrophobicContact CG-CE2 3.49Å; F62-F155 VanDerWaalsContact CG-CE2 3.49Å; F62-F155 HydrophobicContact CG-CZ 4.01Å; L124-F155 HydrophobicContact CD1-CE1 4.44Å; L124-F155 HydrophobicContact CD1-CZ 4.06Å; L124-F155 HydrophobicContact CD2-CD2 3.97Å; L124-F155 HydrophobicContact CD2-CE1 4.15Å; L124-F155 HydrophobicContact CD2-CE2 3.23Å; L124-F155 HydrophobicContact CD2-CZ 3.35Å; L124-F155 HydrophobicContact CG-CD1 4.37Å; L124-F155 HydrophobicContact CG-CD2 4.41Å; L124-F155 HydrophobicContact CG-CE1 3.75Å; L124-F155 HydrophobicContact CG-CE2 3.79Å; L124-F155 HydrophobicContact CG-CZ 3.42Å; L124-F155 VanDerWaalsContact CG-CZ 3.42Å; L124-F155 PolarHBondContact O-N 3.4Å; S125-F155 VanDerWaalsContact C-CE1 3.45Å; M126-F155 HydrophobicContact CG-CD1 3.87Å; M126-F155 HydrophobicContact CG-CE1 3.78Å; M126-F155 HydrophobicContact SD-CD1 3.9Å; M126-F155 HydrophobicContact SD-CE1 3.33Å; M126-F155 WeakPolarHBondContact SD-CE1 3.45Å; M126-F155 HydrophobicContact SD-CZ 3.76Å; F138-F155 HydrophobicContact CB-CE1 4.48Å; F138-F155 HydrophobicContact CB-CZ 4.27Å; V153-F155 WeakPolarHBondContact O-CD1 3.04Å
156	G	98.9	Very high	98.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	179.2	173.9	0	0	0	0	0	114.3	G49 F51 L124	G49-G156 CarbonylContact O-C 3.52Å; G49-G156 WeakPolarHBondContact O-CA 3.19Å; F51-G156 VanDerWaalsContact CE2-C 3.42Å; F51-G156 VanDerWaalsContact CE2-CA 3.43Å; L124-G156 PolarHBondContact N-O 2.99Å; L124-G156 PolarHBondContact O-N 2.81Å
157	K	98.8	Very high	98.6	Very high	12 Å²	12	44.9 Å²	44.9	5%	0.052	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	139.6	175.7	-173.4	-174.8	-174.3	-177.6	0	109.9	I48 G49 F51 G122 W123 L159 V199 T200 D202	I48-K157 WeakPolarHBondContact CG2-O 3.04Å; G49-K157 PolarHBondContact N-O 3.02Å; G49-K157 PolarHBondContact O-N 3.44Å; F51-K157 HydrophobicContact CE2-CB 4.5Å; F51-K157 HydrophobicContact CZ-CB 3.76Å; G122-K157 CarbonylContact O-C 3.57Å; G122-K157 WeakPolarHBondContact O-CA 3.17Å; W123-K157 HydrophobicContact CD2-CG 4.41Å; W123-K157 HydrophobicContact CE3-CB 4.39Å; W123-K157 HydrophobicContact CH2-CD 4.22Å; W123-K157 HydrophobicContact CZ2-CD 3.81Å; W123-K157 HydrophobicContact CZ2-CG 4.46Å; K157-L159 PolarHBondContact O-N 2.86Å; K157-V199 HydrophobicContact CD-CB 4.27Å; K157-V199 HydrophobicContact CD-CG2 3.95Å; K157-T200 PolarHBondContact NZ-O 2.81Å; K157-D202 WeakPolarHBondContact CE-O 3.25Å; K157-D202 PolarHBondContact NZ-O 3.25Å
158	V	98.9	Very high	98.6	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	125.5	170	176.7	0	0	0	0	108.7	I46 G122 I140 E160 M162 V165 A204	I46-V158 HydrophobicContact CG2-CG1 4.1Å; I46-V158 HydrophobicContact CG2-CG2 4.14Å; G122-V158 PolarHBondContact O-N 2.86Å; I140-V158 HydrophobicContact CD1-CG2 4.28Å; I140-V158 HydrophobicContact CG2-CG2 3.87Å; V158-E160 WeakPolarHBondContact CG1-O 3.47Å; V158-M162 HydrophobicContact CB-SD 4.33Å; V158-M162 HydrophobicContact CG1-CB 4.28Å; V158-M162 HydrophobicContact CG1-SD 4.22Å; V158-M162 HydrophobicContact CG2-SD 4.48Å; V158-V165 HydrophobicContact CG2-CG2 4.27Å; V158-A204 HydrophobicContact CB-CB 4.03Å; V158-A204 HydrophobicContact CG1-CB 4.5Å; V158-A204 WeakPolarHBondContact O-CB 3Å
159	L	98.6	Very high	98.7	Very high	50 Å²	50	36.9 Å²	36.9	26%	0.262	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-38.5	177.7	-58.3	178.4	0	0	0	111.3	V28 K31 V47 K157 F197 V199	V28-L159 HydrophobicContact CG2-CD2 4.37Å; K31-L159 HydrophobicContact CD-CD1 3.74Å; K31-L159 HydrophobicContact CG-CD1 3.95Å; V47-L159 HydrophobicContact CG1-CB 4.43Å; V47-L159 HydrophobicContact CG1-CD1 4.4Å; V47-L159 PolarHBondContact O-N 2.97Å; K157-L159 PolarHBondContact O-N 2.86Å; L159-F197 HydrophobicContact CD1-CE2 4.49Å; L159-F197 HydrophobicContact CD1-CZ 3.88Å; L159-F197 HydrophobicContact CD2-CE2 4.38Å; L159-V199 HydrophobicContact CD2-CG1 3.82Å
160	E	98.7	Very high	98.7	Very high	118 Å²	118	39.1 Å²	39.1	55%	0.551	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.7	179	-57	168.9	-146.9	0	0	109.1	I46 V47 V158	I46-E160 WeakPolarHBondContact CA-O 3.43Å; V47-E160 HydrophobicContact CB-CB 3.95Å; V47-E160 HydrophobicContact CB-CG 4.37Å; V47-E160 HydrophobicContact CG2-CB 4.11Å; V47-E160 PolarHBondContact N-O 2.87Å; V47-E160 PolarHBondContact O-N 3.39Å; V158-E160 WeakPolarHBondContact CG1-O 3.47Å
161	G	98.6	Very high	98.7	Very high	12 Å²	12	38.3 Å²	38.3	12%	0.124	18%	0.179	C	C	.	.			trans	84.7	22.2	177.1	0	0	0	0	0	114.5	R45 N163 V164 V165	R45-G161 WeakPolarHBondContact O-CA 3.48Å; G161-N163 WeakPolarHBondContact CA-OD1 3.26Å; G161-N163 PolarHBondContact O-N 3.38Å; G161-V164 WeakPolarHBondContact O-CA 3.39Å; G161-V164 VanDerWaalsContact O-CB 3.31Å; G161-V164 WeakPolarHBondContact O-CB 3.21Å; G161-V164 PolarHBondContact O-N 2.85Å; G161-V165 PolarHBondContact O-N 3.38Å; G161-V165 VanDerWaalsContact O-N 3.15Å
162	M	98.7	Very high	98.7	Very high	4 Å²	4	38 Å²	38	2%	0.02	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-31	174.2	-165.4	62.5	-155.3	0	0	111.8	A121 V158 V164 V165 R166 A204 K205	A121-M162 HydrophobicContact CB-CE 4.11Å; V158-M162 HydrophobicContact CB-SD 4.33Å; V158-M162 HydrophobicContact CG1-CB 4.28Å; V158-M162 HydrophobicContact CG1-SD 4.22Å; V158-M162 HydrophobicContact CG2-SD 4.48Å; M162-V164 VanDerWaalsContact C-N 3.27Å; M162-V164 PolarHBondContact O-N 2.79Å; M162-V165 HydrophobicContact CE-CB 3.95Å; M162-V165 HydrophobicContact CE-CG1 3.52Å; M162-V165 WeakPolarHBondContact O-CB 3.35Å; M162-V165 PolarHBondContact O-N 2.88Å; M162-V165 VanDerWaalsContact O-N 3.15Å; M162-V165 HydrophobicContact SD-CB 3.91Å; M162-V165 HydrophobicContact SD-CG1 4.03Å; M162-V165 HydrophobicContact SD-CG2 4.16Å; M162-R166 WeakPolarHBondContact O-CG 3.33Å; M162-R166 PolarHBondContact O-N 3.28Å; M162-A204 HydrophobicContact CG-CB 4.33Å; M162-A204 HydrophobicContact SD-CB 4.02Å; M162-K205 WeakPolarHBondContact CB-O 2.98Å
163	N	98.6	Very high	98.7	Very high	98 Å²	98	39.2 Å²	39.2	52%	0.524	19%	0.192	S	C	.	.	H	α-helix	trans	-58.3	-35.3	168.9	65	-34	0	0	0	113	G161 R166 K167	G161-N163 WeakPolarHBondContact CA-OD1 3.26Å; G161-N163 PolarHBondContact O-N 3.38Å; N163-R166 PolarHBondContact O-N 2.78Å; N163-K167 WeakPolarHBondContact O-CG 3.34Å; N163-K167 PolarHBondContact O-N 2.93Å
164	V	98.9	Very high	98.6	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-68.9	-44.1	173.5	-176	0	0	0	0	110.1	I36 V43 I46 G161 M162 R166 K167 I168	I36-V164 HydrophobicContact CB-CG1 3.93Å; I36-V164 HydrophobicContact CG1-CG1 3.89Å; I36-V164 HydrophobicContact CG2-CG1 4.32Å; V43-V164 HydrophobicContact CG2-CG1 3.94Å; I46-V164 HydrophobicContact CD1-CB 4.44Å; I46-V164 HydrophobicContact CD1-CG1 4.17Å; I46-V164 HydrophobicContact CG1-CB 3.9Å; I46-V164 HydrophobicContact CG1-CG1 3.97Å; G161-V164 WeakPolarHBondContact O-CA 3.39Å; G161-V164 VanDerWaalsContact O-CB 3.31Å; G161-V164 WeakPolarHBondContact O-CB 3.21Å; G161-V164 PolarHBondContact O-N 2.85Å; M162-V164 VanDerWaalsContact C-N 3.27Å; M162-V164 PolarHBondContact O-N 2.79Å; V164-R166 VanDerWaalsContact C-N 3.28Å; V164-R166 PolarHBondContact O-N 3.13Å; V164-K167 WeakPolarHBondContact O-CB 3.5Å; V164-K167 PolarHBondContact O-N 2.88Å; V164-K167 VanDerWaalsContact O-N 3.08Å; V164-I168 HydrophobicContact CG1-CD1 4.43Å; V164-I168 WeakPolarHBondContact O-CG1 3.34Å; V164-I168 PolarHBondContact O-N 3.43Å
165	V	98.9	Very high	98.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.7	-43.5	173.1	175.3	0	0	0	0	111.1	I46 I88 I140 T142 V158 G161 M162 I168 E169	I46-V165 HydrophobicContact CD1-CG2 3.69Å; I46-V165 HydrophobicContact CG1-CG2 4.13Å; I46-V165 HydrophobicContact CG2-CG2 4.31Å; I88-V165 HydrophobicContact CD1-CB 4.34Å; I88-V165 HydrophobicContact CD1-CG1 3.79Å; I88-V165 HydrophobicContact CD1-CG2 4.33Å; I88-V165 HydrophobicContact CG1-CG1 4.34Å; I140-V165 HydrophobicContact CD1-CG2 4.48Å; I140-V165 HydrophobicContact CG2-CG1 4.12Å; I140-V165 HydrophobicContact CG2-CG2 4.48Å; T142-V165 HydrophobicContact CG2-CG1 4.11Å; V158-V165 HydrophobicContact CG2-CG2 4.27Å; G161-V165 PolarHBondContact O-N 3.38Å; G161-V165 VanDerWaalsContact O-N 3.15Å; M162-V165 HydrophobicContact CE-CB 3.95Å; M162-V165 HydrophobicContact CE-CG1 3.52Å; M162-V165 WeakPolarHBondContact O-CB 3.35Å; M162-V165 PolarHBondContact O-N 2.88Å; M162-V165 VanDerWaalsContact O-N 3.15Å; M162-V165 HydrophobicContact SD-CB 3.91Å; M162-V165 HydrophobicContact SD-CG1 4.03Å; M162-V165 HydrophobicContact SD-CG2 4.16Å; V165-I168 PolarHBondContact O-N 2.9Å; V165-E169 WeakPolarHBondContact O-CB 3.36Å; V165-E169 PolarHBondContact O-N 2.88Å
166	R	98.7	Very high	98.4	Very high	81 Å²	81	52.8 Å²	52.8	31%	0.306	28%	0.282	S	S	.	.	H	α-helix	trans	-65.5	-35.9	175.6	-65.6	-57.7	-176.6	-177	-3	113.1	T142 M162 N163 V164 E169 N170	T142-R166 PolarHBondContact O-NH1 2.92Å; T142-R166 PolarHBondContact O-NH2 2.8Å; M162-R166 WeakPolarHBondContact O-CG 3.33Å; M162-R166 PolarHBondContact O-N 3.28Å; N163-R166 PolarHBondContact O-N 2.78Å; V164-R166 VanDerWaalsContact C-N 3.28Å; V164-R166 PolarHBondContact O-N 3.13Å; R166-E169 WeakPolarHBondContact CD-OE2 3.45Å; R166-E169 IonicContact CZ-OE2 2.93Å; R166-E169 IonicContact NE-OE2 3.71Å; R166-E169 IonicContact NH1-OE1 2.67Å; R166-E169 IonicContact NH1-OE2 3.88Å; R166-E169 PolarHBondContact NH1-OE2 2.83Å; R166-E169 PolarHBondContact O-N 3.17Å; R166-N170 PolarHBondContact O-N 3.22Å; R166-N170 VanDerWaalsContact O-N 3.12Å; R166-N170 PolarHBondContact O-ND2 3.45Å
167	K	98.7	Very high	98.4	Very high	104 Å²	104	55.6 Å²	55.6	45%	0.452	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-45.6	172.1	-73.6	177	-176.5	179.7	0	110.9	I38 V43 N163 V164 N170 T171	I38-K167 HydrophobicContact CD1-CB 4.42Å; V43-K167 HydrophobicContact CB-CD 4.26Å; V43-K167 PolarHBondContact O-NZ 3.27Å; N163-K167 WeakPolarHBondContact O-CG 3.34Å; N163-K167 PolarHBondContact O-N 2.93Å; V164-K167 WeakPolarHBondContact O-CB 3.5Å; V164-K167 PolarHBondContact O-N 2.88Å; V164-K167 VanDerWaalsContact O-N 3.08Å; K167-N170 PolarHBondContact O-N 2.93Å; K167-T171 PolarHBondContact O-N 2.86Å
168	I	98.8	Very high	98.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-50.3	177	-59.4	168.4	0	0	0	110	I36 I38 I46 F79 V82 I88 V164 V165 N170 T171 V183	I36-I168 HydrophobicContact CG1-CD1 4.35Å; I36-I168 HydrophobicContact CG2-CD1 4.01Å; I36-I168 HydrophobicContact CG2-CG1 4.29Å; I38-I168 HydrophobicContact CD1-CG1 4.43Å; I46-I168 HydrophobicContact CD1-CD1 4.11Å; F79-I168 HydrophobicContact CD2-CD1 4.26Å; F79-I168 HydrophobicContact CE2-CD1 4.07Å; F79-I168 HydrophobicContact CZ-CD1 4.47Å; V82-I168 WeakPolarHBondContact CG1-O 3.28Å; V82-I168 HydrophobicContact CG2-CG2 3.83Å; I88-I168 HydrophobicContact CB-CG2 4.16Å; I88-I168 HydrophobicContact CD1-CB 4.15Å; I88-I168 HydrophobicContact CD1-CD1 3.82Å; I88-I168 HydrophobicContact CD1-CG2 4.04Å; I88-I168 HydrophobicContact CG2-CB 4.31Å; I88-I168 HydrophobicContact CG2-CG2 3.75Å; V164-I168 HydrophobicContact CG1-CD1 4.43Å; V164-I168 WeakPolarHBondContact O-CG1 3.34Å; V164-I168 PolarHBondContact O-N 3.43Å; V165-I168 PolarHBondContact O-N 2.9Å; I168-N170 PolarHBondContact O-N 2.99Å; I168-T171 WeakPolarHBondContact O-CB 3.43Å; I168-T171 WeakPolarHBondContact O-CG2 3.36Å; I168-T171 PolarHBondContact O-N 2.75Å; I168-T171 PolarHBondContact O-OG1 3.39Å; I168-V183 HydrophobicContact CB-CG1 4.4Å; I168-V183 HydrophobicContact CD1-CG1 3.93Å; I168-V183 HydrophobicContact CG1-CG1 3.72Å; I168-V183 HydrophobicContact CG2-CB 4.5Å; I168-V183 HydrophobicContact CG2-CG1 3.86Å; I168-V183 HydrophobicContact CG2-CG2 4.28Å
169	E	98.7	Very high	98.3	Very high	5 Å²	5	58.9 Å²	58.9	2%	0.023	31%	0.31	C	S	.	.	H	α-helix	trans	-53.4	-36.6	178.8	179.9	-177.1	-150.3	0	0	113.3	K84 D85 I88 T142 V165 R166	K84-E169 HydrophobicContact CB-CG 4.42Å; K84-E169 HydrophobicContact CG-CG 4.34Å; D85-E169 WeakPolarHBondContact CA-OE1 3.36Å; D85-E169 PolarHBondContact N-OE1 3.05Å; I88-E169 HydrophobicContact CG2-CB 4.35Å; T142-E169 WeakPolarHBondContact CB-OE1 2.98Å; T142-E169 HydrophobicContact CG2-CB 4.03Å; T142-E169 HydrophobicContact CG2-CG 3.94Å; T142-E169 PolarHBondContact OG1-OE1 3.23Å; V165-E169 WeakPolarHBondContact O-CB 3.36Å; V165-E169 PolarHBondContact O-N 2.88Å; R166-E169 WeakPolarHBondContact CD-OE2 3.45Å; R166-E169 IonicContact CZ-OE2 2.93Å; R166-E169 IonicContact NE-OE2 3.71Å; R166-E169 IonicContact NH1-OE1 2.67Å; R166-E169 IonicContact NH1-OE2 3.88Å; R166-E169 PolarHBondContact NH1-OE2 2.83Å; R166-E169 PolarHBondContact O-N 3.17Å
170	N	98.5	Very high	98.3	Very high	86 Å²	86	60.9 Å²	60.9	46%	0.46	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	11.2	-178.2	-71.6	-78.9	0	0	0	113.6	K84 R166 K167 I168	K84-N170 WeakPolarHBondContact CE-OD1 3.24Å; K84-N170 PolarHBondContact NZ-OD1 2.89Å; R166-N170 PolarHBondContact O-N 3.22Å; R166-N170 VanDerWaalsContact O-N 3.12Å; R166-N170 PolarHBondContact O-ND2 3.45Å; K167-N170 PolarHBondContact O-N 2.93Å; I168-N170 PolarHBondContact O-N 2.99Å
171	T	98.5	Very high	98.3	Very high	25 Å²	25	60.8 Å²	60.8	15%	0.153	32%	0.323	C	S	.	.	S	Bend	trans	-65.7	149.1	170.7	55.9	0	0	0	0	111.1	I38 K167 I168 T173 V183	I38-T171 HydrophobicContact CD1-CG2 3.95Å; I38-T171 HydrophobicContact CG2-CG2 4.2Å; K167-T171 PolarHBondContact O-N 2.86Å; I168-T171 WeakPolarHBondContact O-CB 3.43Å; I168-T171 WeakPolarHBondContact O-CG2 3.36Å; I168-T171 PolarHBondContact O-N 2.75Å; I168-T171 PolarHBondContact O-OG1 3.39Å; T171-T173 PolarHBondContact O-N 2.84Å; T171-V183 HydrophobicContact CG2-CG2 4.09Å
172	K	98.5	Very high	98.3	Very high	166 Å²	166	63.2 Å²	63.2	72%	0.722	33%	0.334	S	S	*	.			trans	-67	129.4	171.2	-174.9	-178.8	-179.1	-178.7	0	109	V180	K172-V180 HydrophobicContact CB-CG2 4.34Å; K172-V180 HydrophobicContact CD-CG2 4.15Å; K172-V180 HydrophobicContact CG-CG2 3.92Å; K172-V180 WeakPolarHBondContact O-CG2 3.41Å; K172-V180 PolarHBondContact O-N 3.32Å
173	T	98.5	Very high	98.3	Very high	55 Å²	55	63.1 Å²	63.1	34%	0.337	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-108.9	153.3	175.5	59.7	0	0	0	0	112.1	V82 T171 R178	V82-T173 HydrophobicContact CB-CG2 4.07Å; V82-T173 HydrophobicContact CG1-CG2 4.29Å; V82-T173 WeakPolarHBondContact O-CG2 3.46Å; T171-T173 PolarHBondContact O-N 2.84Å; T173-R178 CarbonylContact C-O 3.54Å; T173-R178 VanDerWaalsContact CA-O 3.24Å; T173-R178 WeakPolarHBondContact CA-O 3.5Å
174	G	97.4	Very high	98.4	Very high	41 Å²	41	59.8 Å²	59.8	42%	0.423	32%	0.316	S	S	.	.			trans	-113.6	-143.9	174	0	0	0	0	0	111.2	D177 R178	G174-D177 PolarHBondContact O-N 2.78Å; G174-R178 PolarHBondContact N-O 2.73Å
175	S	96.5	Very high	98.4	Very high	102 Å²	102	59.7 Å²	59.7	71%	0.713	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-55.2	142.8	178.3	-53.8	0	0	0	0	112.2	D177 R178	S175-D177 PolarHBondContact O-N 3.13Å; S175-R178 WeakPolarHBondContact O-CB 3.5Å; S175-R178 PolarHBondContact O-N 3.5Å; S175-R178 VanDerWaalsContact O-N 3.16Å
176	N	96.2	Very high	98.4	Very high	144 Å²	144	61.7 Å²	61.7	77%	0.77	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	56.4	28.3	-179.9	-55.6	-37.7	0	0	0	114.1	R178	N176-R178 PolarHBondContact O-N 2.74Å
177	D	98.5	Very high	98.3	Very high	59 Å²	59	60.3 Å²	60.3	32%	0.316	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	58.6	24.5	-177	-43	-59.5	0	0	0	113.5	R81 V82 I83 G174 S175	R81-D177 HydrophobicContact CG-CB 3.95Å; R81-D177 IonicContact NE-OD2 3.96Å; R81-D177 IonicContact NH2-OD2 2.96Å; V82-D177 PolarHBondContact N-O 3.29Å; I83-D177 HydrophobicContact CD1-CB 4.37Å; I83-D177 WeakPolarHBondContact CD1-OD2 3.34Å; I83-D177 HydrophobicContact CG1-CB 3.73Å; G174-D177 PolarHBondContact O-N 2.78Å; S175-D177 PolarHBondContact O-N 3.13Å
178	R	98.4	Very high	98.4	Very high	78 Å²	78	55.9 Å²	55.9	29%	0.294	31%	0.313	S	S	.	.			trans	-76.4	131.6	177.9	-173.7	-176.2	179	107.4	7.4	110.1	H80 H96 T173 G174 S175 N176 V180 D182	H80-R178 WeakPolarHBondContact O-CA 3.14Å; H96-R178 PolarHBondContact O-NH1 2.98Å; T173-R178 CarbonylContact C-O 3.54Å; T173-R178 VanDerWaalsContact CA-O 3.24Å; T173-R178 WeakPolarHBondContact CA-O 3.5Å; G174-R178 PolarHBondContact N-O 2.73Å; S175-R178 WeakPolarHBondContact O-CB 3.5Å; S175-R178 PolarHBondContact O-N 3.5Å; S175-R178 VanDerWaalsContact O-N 3.16Å; N176-R178 PolarHBondContact O-N 2.74Å; R178-V180 PolarHBondContact O-N 3.43Å; R178-D182 IonicContact NH2-OD1 3.5Å
179	P	98.6	Very high	98.3	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.039	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-52.6	135.9	169.9	-28.7	37.5	0	0	0	112.3	V82 E181 V183	V82-P179 HydrophobicContact CB-CG 4.04Å; V82-P179 HydrophobicContact CG2-CG 3.56Å; P179-E181 WeakPolarHBondContact CB-O 3.39Å; P179-V183 HydrophobicContact CB-CG2 3.95Å; P179-V183 HydrophobicContact CG-CG2 4.03Å
180	V	98.6	Very high	98.3	Very high	92 Å²	92	60.2 Å²	60.2	56%	0.558	34%	0.335	S	S	*	.	S	Bend	trans	-68.1	-43.4	177.2	174.5	0	0	0	0	110.4	K172 R178	K172-V180 HydrophobicContact CB-CG2 4.34Å; K172-V180 HydrophobicContact CD-CG2 4.15Å; K172-V180 HydrophobicContact CG-CG2 3.92Å; K172-V180 WeakPolarHBondContact O-CG2 3.41Å; K172-V180 PolarHBondContact O-N 3.32Å; R178-V180 PolarHBondContact O-N 3.43Å
181	E	98.4	Very high	98.3	Very high	116 Å²	116	58.4 Å²	58.4	54%	0.542	33%	0.326	S	S	.	.	S	Bend	trans	-91.8	133.2	167.4	-64.9	-173.8	123	0	0	109	I38 P179 V183	I38-E181 HydrophobicContact CG2-CB 4.17Å; P179-E181 WeakPolarHBondContact CB-O 3.39Å; E181-V183 PolarHBondContact O-N 3.26Å
182	D	98.6	Very high	98.3	Very high	64 Å²	64	66.6 Å²	66.6	34%	0.342	35%	0.354	S	S	.	.			trans	-60.6	127	179.5	-79.9	-39.5	0	0	0	110.8	I38 G39 K78 R178 V184	I38-D182 WeakPolarHBondContact CA-O 3.28Å; G39-D182 PolarHBondContact N-O 3.32Å; K78-D182 HydrophobicContact CD-CB 4.43Å; K78-D182 WeakPolarHBondContact CD-OD1 3.11Å; K78-D182 WeakPolarHBondContact CE-OD1 3.29Å; K78-D182 WeakPolarHBondContact CE-OD2 3.22Å; K78-D182 IonicContact NZ-OD1 2.65Å; K78-D182 PolarHBondContact NZ-OD1 3.38Å; K78-D182 IonicContact NZ-OD2 2.84Å; K78-D182 PolarHBondContact NZ-OD2 3.23Å; R178-D182 IonicContact NH2-OD1 3.5Å; D182-V184 HydrophobicContact CB-CG2 3.99Å
183	V	98.8	Very high	98.3	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110.4	169.9	-176.9	0	0	0	0	108	I36 T37 I38 K78 F79 I168 T171 P179 E181	I36-V183 HydrophobicContact CG2-CG1 3.86Å; T37-V183 CarbonylContact O-C 3.48Å; T37-V183 WeakPolarHBondContact O-CA 3.23Å; I38-V183 HydrophobicContact CG1-CG1 4.32Å; I38-V183 HydrophobicContact CG1-CG2 4.18Å; I38-V183 HydrophobicContact CG2-CG2 4.43Å; K78-V183 CarbonylContact C-O 3.36Å; K78-V183 VanDerWaalsContact CA-O 3.25Å; K78-V183 WeakPolarHBondContact CA-O 3.11Å; F79-V183 HydrophobicContact CB-CB 4.19Å; F79-V183 HydrophobicContact CB-CG1 4.19Å; F79-V183 HydrophobicContact CD2-CG1 3.72Å; F79-V183 HydrophobicContact CG-CG1 4.31Å; F79-V183 PolarHBondContact N-O 3.21Å; I168-V183 HydrophobicContact CB-CG1 4.4Å; I168-V183 HydrophobicContact CD1-CG1 3.93Å; I168-V183 HydrophobicContact CG1-CG1 3.72Å; I168-V183 HydrophobicContact CG2-CB 4.5Å; I168-V183 HydrophobicContact CG2-CG1 3.86Å; I168-V183 HydrophobicContact CG2-CG2 4.28Å; T171-V183 HydrophobicContact CG2-CG2 4.09Å; P179-V183 HydrophobicContact CB-CG2 3.95Å; P179-V183 HydrophobicContact CG-CG2 4.03Å; E181-V183 PolarHBondContact O-N 3.26Å
184	V	98.9	Very high	98.2	Very high	28 Å²	28	64 Å²	64	17%	0.17	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140	-169	-171.6	0	0	0	0	110.8	I36 T37 K78 D182 A186	I36-V184 WeakPolarHBondContact CA-O 3.14Å; T37-V184 PolarHBondContact N-O 2.97Å; T37-V184 PolarHBondContact O-N 3.01Å; K78-V184 HydrophobicContact CG-CG2 4.31Å; D182-V184 HydrophobicContact CB-CG2 3.99Å; V184-A186 VanDerWaalsContact C-N 3.35Å; V184-A186 PolarHBondContact O-N 3.01Å; V184-A186 VanDerWaalsContact O-N 3.16Å
185	I	98.9	Very high	98.2	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	86.4	164.5	-57.7	172.1	0	0	0	107.1	F34 D35 I36 G76 S77 F79 F138 N187 C188	F34-I185 HydrophobicContact CB-CG2 4.05Å; F34-I185 HydrophobicContact CD1-CD1 4.28Å; F34-I185 HydrophobicContact CD1-CG2 3.69Å; F34-I185 HydrophobicContact CD2-CD1 3.97Å; F34-I185 HydrophobicContact CD2-CG1 4.39Å; F34-I185 HydrophobicContact CE1-CD1 4.23Å; F34-I185 HydrophobicContact CE1-CG2 4.32Å; F34-I185 HydrophobicContact CE2-CD1 3.9Å; F34-I185 HydrophobicContact CG-CD1 4.16Å; F34-I185 HydrophobicContact CG-CG1 4.32Å; F34-I185 HydrophobicContact CG-CG2 3.96Å; F34-I185 HydrophobicContact CZ-CD1 4.03Å; D35-I185 CarbonylContact O-C 3.59Å; I36-I185 HydrophobicContact CD1-CG1 4.03Å; G76-I185 PolarHBondContact N-O 2.91Å; S77-I185 PolarHBondContact O-N 3.04Å; F79-I185 HydrophobicContact CD2-CG1 4.47Å; F79-I185 HydrophobicContact CE2-CD1 4.24Å; F79-I185 HydrophobicContact CE2-CG1 3.89Å; F138-I185 HydrophobicContact CZ-CD1 4.2Å; I185-N187 VanDerWaalsContact C-N 3.28Å; I185-N187 WeakPolarHBondContact CG2-O 3.2Å; I185-N187 PolarHBondContact O-N 2.94Å; I185-C188 HydrophobicContact CG2-CB 3.78Å
186	A	98.7	Very high	98.2	Very high	42 Å²	42	67.5 Å²	67.5	35%	0.347	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	-36	-175.8	0	0	0	0	0	112.1	D35 T37 V184	D35-A186 PolarHBondContact O-N 3Å; T37-A186 HydrophobicContact CG2-CB 3.82Å; V184-A186 VanDerWaalsContact C-N 3.35Å; V184-A186 PolarHBondContact O-N 3.01Å; V184-A186 VanDerWaalsContact O-N 3.16Å
187	N	98.7	Very high	98.3	Very high	53 Å²	53	64.6 Å²	64.6	28%	0.283	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	153.5	172.6	-163.8	34.1	0	0	0	110.8	D35 K75 I185	D35-N187 HydrophobicContact CB-CB 4.05Å; D35-N187 PolarHBondContact N-O 3.05Å; K75-N187 WeakPolarHBondContact CE-OD1 3.34Å; K75-N187 PolarHBondContact NZ-OD1 3.39Å; I185-N187 VanDerWaalsContact C-N 3.28Å; I185-N187 WeakPolarHBondContact CG2-O 3.2Å; I185-N187 PolarHBondContact O-N 2.94Å
188	C	98.9	Very high	98.2	Very high	11 Å²	11	62.7 Å²	62.7	7%	0.074	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	163.3	176.6	60.2	0	0	0	0	111	F33 F34 A66 K75 I185	F33-C188 WeakPolarHBondContact O-CA 3.48Å; F33-C188 WeakPolarHBondContact O-CB 3.18Å; F34-C188 HydrophobicContact CD1-CB 3.47Å; F34-C188 VanDerWaalsContact CD1-CB 3.47Å; F34-C188 HydrophobicContact CE1-CB 3.79Å; A66-C188 CarbonylContact O-C 3.38Å; A66-C188 PolarHBondContact O-SG 3.19Å; K75-C188 PolarHBondContact N-SG 2.77Å; I185-C188 HydrophobicContact CG2-CB 3.78Å
189	G	98.6	Very high	98.2	Very high	9 Å²	9	59.7 Å²	59.7	9%	0.093	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.9	178	175.8	0	0	0	0	0	112.6	V32 F33	V32-G189 CarbonylContact C-O 3.42Å; V32-G189 VanDerWaalsContact CA-O 3.28Å; V32-G189 WeakPolarHBondContact CA-O 3.37Å; F33-G189 WeakPolarHBondContact CD1-O 3.31Å; F33-G189 VanDerWaalsContact CE1-CA 3.49Å; F33-G189 PolarHBondContact N-O 2.96Å; F33-G189 PolarHBondContact O-N 3.16Å
190	E	98.7	Very high	98.1	Very high	86 Å²	86	62 Å²	62	40%	0.402	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	140.1	176	-174.3	173.9	-165.2	0	0	110.7	K31 V63 K67	K31-E190 WeakPolarHBondContact O-CA 3.48Å; V63-E190 HydrophobicContact CG1-CB 4.21Å; V63-E190 HydrophobicContact CG1-CG 4.13Å; K67-E190 HydrophobicContact CD-CB 4.29Å; K67-E190 HydrophobicContact CG-CB 4.42Å; K67-E190 IonicContact NZ-OE2 2.86Å
191	L	98.6	Very high	98	Very high	48 Å²	48	62.3 Å²	62.3	25%	0.251	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.2	167.6	-64.3	178.6	0	0	0	109.6	K31 F33 V47	K31-L191 HydrophobicContact CB-CB 3.83Å; K31-L191 PolarHBondContact O-N 3.11Å; F33-L191 HydrophobicContact CB-CD1 4.06Å; F33-L191 HydrophobicContact CB-CG 4.27Å; F33-L191 HydrophobicContact CD1-CD1 4.44Å; F33-L191 HydrophobicContact CD1-CD2 3.67Å; F33-L191 HydrophobicContact CD1-CG 3.79Å; F33-L191 HydrophobicContact CE1-CD2 4.2Å; F33-L191 HydrophobicContact CG-CD2 4.49Å; F33-L191 HydrophobicContact CG-CG 4.47Å; V47-L191 HydrophobicContact CG1-CD1 3.93Å; V47-L191 HydrophobicContact CG2-CD1 4.17Å
192	R	97.8	Very high	98	Very high	198 Å²	198	61.6 Å²	61.6	75%	0.747	32%	0.317	S	S	*	.			trans	-59.4	138.2	176	-174.4	175	171.5	98.6	5.2	111.3	K31 D194	K31-R192 VanDerWaalsContact CE-O 3.24Å; K31-R192 WeakPolarHBondContact CE-O 3.16Å; R192-D194 IonicContact CZ-OD1 3.48Å; R192-D194 IonicContact NE-OD1 3.23Å; R192-D194 PolarHBondContact NE-OD1 3.07Å; R192-D194 IonicContact NH2-OD1 3.32Å; R192-D194 PolarHBondContact NH2-OD1 3.18Å
193	V	98	Very high	97.9	Very high	32 Å²	32	62.7 Å²	62.7	19%	0.194	32%	0.323	C	S	.	.			trans	-120.5	110.3	169.1	178.7	0	0	0	0	106.8	K31 Q195 F197	K31-V193 HydrophobicContact CB-CG2 3.96Å; K31-V193 HydrophobicContact CD-CG2 4.14Å; K31-V193 HydrophobicContact CG-CG2 3.62Å; V193-Q195 VanDerWaalsContact CG1-O 3.31Å; V193-Q195 WeakPolarHBondContact CG1-O 3.5Å; V193-F197 HydrophobicContact CG1-CD1 4.46Å; V193-F197 HydrophobicContact CG1-CE1 4.35Å
194	D	96.4	Very high	97.8	Very high	133 Å²	133	63.2 Å²	63.2	71%	0.711	33%	0.328	S	S	*	.	S	Bend	trans	-69.3	-40	-176.7	-67.2	-51.8	0	0	0	112.5	R192	R192-D194 IonicContact CZ-OD1 3.48Å; R192-D194 IonicContact NE-OD1 3.23Å; R192-D194 PolarHBondContact NE-OD1 3.07Å; R192-D194 IonicContact NH2-OD1 3.32Å; R192-D194 PolarHBondContact NH2-OD1 3.18Å
195	Q	96.6	Very high	97.4	Very high	154 Å²	154	72.7 Å²	72.7	72%	0.72	37%	0.367	S	S	*	.	S	Bend	trans	-143.9	143.8	173.5	-170.4	173.1	21.5	0	0	110.1	V193 F197	V193-Q195 VanDerWaalsContact CG1-O 3.31Å; V193-Q195 WeakPolarHBondContact CG1-O 3.5Å; Q195-F197 PolarHBondContact O-N 3.27Å
196	P	97.8	Very high	97.3	Very high	63 Å²	63	76.4 Å²	76.4	41%	0.409	39%	0.385	S	S	.	.			trans	-59.9	134.5	172.4	-24.8	34.7	0	0	0	112.4	K27 V28 T29	K27-P196 HydrophobicContact CB-CB 4.47Å; V28-P196 WeakPolarHBondContact O-CA 3.34Å; V28-P196 WeakPolarHBondContact O-CB 3.35Å; T29-P196 HydrophobicContact CG2-CB 4.16Å; T29-P196 HydrophobicContact CG2-CG 4.22Å
197	F	97.6	Very high	97.2	Very high	84 Å²	84	78.2 Å²	78.2	37%	0.368	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.6	178.9	63.1	-86.4	0	0	0	110.4	K27 V28 L159 V193 Q195 V199	K27-F197 CarbonylContact C-O 3.48Å; K27-F197 VanDerWaalsContact CA-O 3.26Å; K27-F197 WeakPolarHBondContact CA-O 3.47Å; V28-F197 HydrophobicContact CB-CD1 4.29Å; V28-F197 HydrophobicContact CB-CD2 4.41Å; V28-F197 HydrophobicContact CB-CE1 3.84Å; V28-F197 HydrophobicContact CB-CE2 3.98Å; V28-F197 HydrophobicContact CB-CZ 3.67Å; V28-F197 HydrophobicContact CG1-CE1 3.73Å; V28-F197 HydrophobicContact CG1-CE2 4.45Å; V28-F197 HydrophobicContact CG1-CZ 3.68Å; V28-F197 HydrophobicContact CG2-CE2 3.97Å; V28-F197 HydrophobicContact CG2-CZ 4Å; V28-F197 PolarHBondContact N-O 2.79Å; V28-F197 PolarHBondContact O-N 3.37Å; L159-F197 HydrophobicContact CD1-CE2 4.49Å; L159-F197 HydrophobicContact CD1-CZ 3.88Å; L159-F197 HydrophobicContact CD2-CE2 4.38Å; V193-F197 HydrophobicContact CG1-CD1 4.46Å; V193-F197 HydrophobicContact CG1-CE1 4.35Å; Q195-F197 PolarHBondContact O-N 3.27Å; F197-V199 HydrophobicContact CD2-CG1 4.33Å; F197-V199 HydrophobicContact CE2-CG1 3.95Å
198	A	97.7	Very high	97.1	Very high	18 Å²	18	79.6 Å²	79.6	15%	0.149	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	150.2	179.5	0	0	0	0	0	111.6	P23 K27	P23-A198 HydrophobicContact CB-CB 4.12Å; P23-A198 WeakPolarHBondContact O-CB 3.38Å; K27-A198 HydrophobicContact CG-CB 4.32Å
199	V	97.4	Very high	97	Very high	15 Å²	15	83.6 Å²	83.6	9%	0.091	41%	0.411	C	S	.	.			trans	-115.8	147.8	170.2	-63.2	0	0	0	0	110.1	G25 P26 V28 F51 K157 L159 F197	G25-V199 WeakPolarHBondContact CA-O 3.24Å; P26-V199 HydrophobicContact CG-CG2 4.02Å; P26-V199 PolarHBondContact O-N 3.43Å; P26-V199 VanDerWaalsContact O-N 3.13Å; V28-V199 HydrophobicContact CG2-CG1 3.78Å; F51-V199 HydrophobicContact CE1-CG2 3.74Å; F51-V199 HydrophobicContact CZ-CG2 3.95Å; K157-V199 HydrophobicContact CD-CB 4.27Å; K157-V199 HydrophobicContact CD-CG2 3.95Å; L159-V199 HydrophobicContact CD2-CG1 3.82Å; F197-V199 HydrophobicContact CD2-CG1 4.33Å; F197-V199 HydrophobicContact CE2-CG1 3.95Å
200	T	96.9	Very high	96.9	Very high	55 Å²	55	88.3 Å²	88.3	34%	0.337	43%	0.431	S	S	.	.			trans	-68.4	160.5	173.5	70.7	0	0	0	0	111.2	P23 K157 D202	P23-T200 HydrophobicContact CB-CG2 3.95Å; K157-T200 PolarHBondContact NZ-O 2.81Å; T200-D202 VanDerWaalsContact CB-OD2 3.25Å; T200-D202 WeakPolarHBondContact CB-OD2 3.18Å; T200-D202 PolarHBondContact O-N 3.34Å; T200-D202 PolarHBondContact OG1-OD2 3.33Å
201	K	97	Very high	96.8	Very high	98 Å²	98	88.4 Å²	88.4	43%	0.426	43%	0.433	S	S	.	.	S	Bend	trans	-81	2.2	178.3	-70.3	-179.1	-179.5	-178.2	0	114.1	Y119	Y119-K201 WeakPolarHBondContact CB-O 3.3Å; Y119-K201 HydrophobicContact CD1-CB 4.32Å; Y119-K201 HydrophobicContact CD1-CD 4.12Å; Y119-K201 HydrophobicContact CD1-CG 4.44Å; Y119-K201 HydrophobicContact CD2-CB 4.38Å; Y119-K201 HydrophobicContact CD2-CG 4.23Å; Y119-K201 HydrophobicContact CE1-CD 3.74Å; Y119-K201 HydrophobicContact CE1-CG 4.39Å; Y119-K201 HydrophobicContact CE2-CD 4.21Å; Y119-K201 HydrophobicContact CE2-CG 4.16Å; Y119-K201 HydrophobicContact CG-CB 4.13Å; Y119-K201 HydrophobicContact CG-CG 4.36Å
202	D	96.5	Very high	96.7	Very high	102 Å²	102	91.3 Å²	91.3	55%	0.545	45%	0.446	S	S	.	.	S	Bend	trans	-71.9	174.1	-179.8	-43.8	-46.6	0	0	0	111.7	K157 T200	K157-D202 WeakPolarHBondContact CE-O 3.25Å; K157-D202 PolarHBondContact NZ-O 3.25Å; T200-D202 VanDerWaalsContact CB-OD2 3.25Å; T200-D202 WeakPolarHBondContact CB-OD2 3.18Å; T200-D202 PolarHBondContact O-N 3.34Å; T200-D202 PolarHBondContact OG1-OD2 3.33Å
203	D	98	Very high	96.6	Very high	86 Å²	86	83.1 Å²	83.1	46%	0.46	42%	0.423	S	S	.	.			trans	-52.4	144.3	168	-70.8	-11.8	0	0	0	111.3	G120 A121	G120-D203 WeakPolarHBondContact CA-OD1 3.26Å; A121-D203 HydrophobicContact CB-CB 4.2Å; A121-D203 PolarHBondContact N-OD1 3.47Å
204	A	96.3	Very high	96.5	Very high	12 Å²	12	87.3 Å²	87.3	10%	0.099	44%	0.442	C	S	.	.			trans	-65.7	140.5	162.2	0	0	0	0	0	109.3	A121 V158 M162	A121-A204 PolarHBondContact O-N 3.27Å; V158-A204 HydrophobicContact CB-CB 4.03Å; V158-A204 HydrophobicContact CG1-CB 4.5Å; V158-A204 WeakPolarHBondContact O-CB 3Å; M162-A204 HydrophobicContact CG-CB 4.33Å; M162-A204 HydrophobicContact SD-CB 4.02Å
205	K	89.5	Confident	96.5	Very high	228 Å²	228	83.2 Å²	83.2	99%	0.991	42%	0.418	S	S	*	.			trans	-95.9	0	-179	-63.9	-177.6	-179.7	178.9	0	110.9	M162	M162-K205 WeakPolarHBondContact CB-O 2.98Å

Retrieved 205 of 205 residues in 182.2 ms (Link to these results)

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