A0A2K5LJF4_CERAT Loading...

Peptidyl-prolyl cis-trans isomerase

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

AlphaFold DB , UniProt , Accession A0A2K5LJF4, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PPIC, Length 212 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.3	Very low	51	Low	256 Å²	256	149.5 Å²	149.5	100%	1.261	86%	0.856	S	S	*	*				0	133.6	0	-84.8	176.3	171.4	0	0	107.8
2	G	44.5	Very low	51.2	Low	77 Å²	77	149.2 Å²	149.2	79%	0.794	85%	0.848	S	S	*	*			trans	117.7	103.7	176.6	0	0	0	0	0	113.7
3	P	50.2	Low	51.2	Low	130 Å²	130	148.2 Å²	148.2	84%	0.844	84%	0.838	S	S	*	*			trans	-102.5	152	-170.8	36.8	-29.1	0	0	0	114.7
4	G	45.2	Very low	51.2	Low	75 Å²	75	145.6 Å²	145.6	77%	0.773	83%	0.832	S	S	*	*			trans	74.4	158.2	154.4	0	0	0	0	0	117.7
5	P	52.3	Low	51.5	Low	133 Å²	133	142.9 Å²	142.9	86%	0.864	82%	0.819	S	S	*	*			cis	-121.3	155.8	33.4	27	-7.6	0	0	0	115.6
6	R	60.8	Low	51.5	Low	239 Å²	239	138.4 Å²	138.4	90%	0.902	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.5	120.6	177.2	-65.3	169.3	170.5	175.4	-4.4	110
7	L	52.7	Low	51.8	Low	175 Å²	175	139.9 Å²	139.9	92%	0.916	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-86.3	116.6	166.3	-157.8	70.1	0	0	0	108.6	L9	L7-L9 PolarHBondContact O-N 3.5Å
8	L	54.2	Low	51.9	Low	157 Å²	157	135.8 Å²	135.8	82%	0.822	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-58.9	130.9	176.6	-89.8	82.3	0	0	0	110.7
9	L	52.3	Low	52.1	Low	154 Å²	154	133.3 Å²	133.3	81%	0.806	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-70.1	125.8	164.9	-164.1	79.7	0	0	0	108.9	L7 L11	L7-L9 PolarHBondContact O-N 3.5Å; L9-L11 PolarHBondContact O-N 2.97Å
10	P	52.2	Low	52.2	Low	105 Å²	105	134.6 Å²	134.6	68%	0.682	81%	0.806	S	S	*	*			trans	-76.1	112.5	164.2	25.6	-20	0	0	0	107.9	L12	P10-L12 VanDerWaalsContact C-N 3.34Å; P10-L12 PolarHBondContact O-N 3.26Å
11	L	52.4	Low	52.3	Low	144 Å²	144	134.1 Å²	134.1	75%	0.754	80%	0.804	S	S	*	*			trans	-63.2	92.7	167.2	-159.3	91	0	0	0	107.6	L9 L13	L9-L11 PolarHBondContact O-N 2.97Å; L11-L13 HydrophobicContact CD2-CD1 4.17Å; L11-L13 PolarHBondContact O-N 3.02Å
12	L	52.9	Low	52.7	Low	145 Å²	145	126.7 Å²	126.7	76%	0.759	78%	0.777	S	S	*	*			trans	-70.5	99.6	165.8	-107.3	96.6	0	0	0	107.5	P10 C14	P10-L12 VanDerWaalsContact C-N 3.34Å; P10-L12 PolarHBondContact O-N 3.26Å; L12-C14 PolarHBondContact O-N 2.94Å
13	L	52.2	Low	53.1	Low	136 Å²	136	128.1 Å²	128.1	71%	0.712	77%	0.774	S	S	*	*			trans	-68.8	86.8	167.2	-150.6	86.4	0	0	0	107.3	L11 V15	L11-L13 HydrophobicContact CD2-CD1 4.17Å; L11-L13 PolarHBondContact O-N 3.02Å; L13-V15 HydrophobicContact CD2-CG2 3.89Å; L13-V15 HydrophobicContact CG-CG2 4.35Å; L13-V15 PolarHBondContact O-N 2.93Å
14	C	50.9	Low	53.2	Low	112 Å²	112	127.2 Å²	127.2	76%	0.757	77%	0.771	S	S	*	*			trans	-68.2	86.2	166.5	-73.1	0	0	0	0	107.9	L12 G16	L12-C14 PolarHBondContact O-N 2.94Å; C14-G16 PolarHBondContact O-N 2.9Å
15	V	55.3	Low	53.4	Low	106 Å²	106	126.6 Å²	126.6	64%	0.642	77%	0.765	S	S	*	*			trans	-66.2	92.7	163.7	179.7	0	0	0	0	106	L13 L17	L13-V15 HydrophobicContact CD2-CG2 3.89Å; L13-V15 HydrophobicContact CG-CG2 4.35Å; L13-V15 PolarHBondContact O-N 2.93Å; V15-L17 VanDerWaalsContact C-N 3.33Å; V15-L17 PolarHBondContact O-N 2.87Å
16	G	52.3	Low	53.3	Low	71 Å²	71	125 Å²	125	73%	0.732	76%	0.763	S	S	*	*			trans	-62.1	99.2	167.6	0	0	0	0	0	107.8	C14 G18	C14-G16 PolarHBondContact O-N 2.9Å; G16-G18 PolarHBondContact O-N 2.88Å
17	L	56.3	Low	52.7	Low	163 Å²	163	122.1 Å²	122.1	85%	0.853	76%	0.76	S	S	*	*			trans	-66.7	91.2	167.9	-145.3	81	0	0	0	106.1	V15 A19	V15-L17 VanDerWaalsContact C-N 3.33Å; V15-L17 PolarHBondContact O-N 2.87Å; L17-A19 VanDerWaalsContact C-N 3.31Å; L17-A19 PolarHBondContact O-N 2.87Å
18	G	53.3	Low	52.7	Low	66 Å²	66	116.5 Å²	116.5	68%	0.68	74%	0.744	S	S	*	*			trans	-60.7	99.1	169	0	0	0	0	0	107.5	G16 L20	G16-G18 PolarHBondContact O-N 2.88Å; G18-L20 VanDerWaalsContact C-N 3.28Å; G18-L20 PolarHBondContact O-N 2.87Å
19	A	55.7	Low	52.8	Low	88 Å²	88	119 Å²	119	73%	0.727	75%	0.748	S	S	*	*			trans	-62.5	98.7	167.3	0	0	0	0	0	106.7	L17 V21	L17-A19 VanDerWaalsContact C-N 3.31Å; L17-A19 PolarHBondContact O-N 2.87Å; A19-V21 PolarHBondContact O-N 2.85Å
20	L	54.1	Low	53.6	Low	160 Å²	160	122 Å²	122	84%	0.838	75%	0.749	S	S	*	*			trans	-60.1	93.4	161.8	-95.1	140.4	0	0	0	106.3	G18 S22	G18-L20 VanDerWaalsContact C-N 3.28Å; G18-L20 PolarHBondContact O-N 2.87Å; L20-S22 PolarHBondContact O-N 2.89Å
21	V	53.3	Low	54.7	Low	125 Å²	125	123.7 Å²	123.7	76%	0.758	75%	0.746	S	S	*	*			trans	-68.5	89.2	164.1	-177.9	0	0	0	0	105.3	A19 S23	A19-V21 PolarHBondContact O-N 2.85Å; V21-S23 PolarHBondContact O-N 2.8Å
22	S	52.8	Low	56.4	Low	99 Å²	99	124.4 Å²	124.4	69%	0.692	74%	0.739	S	S	*	*			trans	-64.7	94.3	162.9	-66.7	0	0	0	0	106.6	L20 S24	L20-S22 PolarHBondContact O-N 2.89Å; S22-S24 PolarHBondContact O-N 2.89Å
23	S	53.4	Low	58.4	Low	107 Å²	107	118.1 Å²	118.1	75%	0.748	71%	0.709	S	S	*	*			trans	-63	89.2	162.3	58.9	0	0	0	0	106.5	V21 G25	V21-S23 PolarHBondContact O-N 2.8Å; S23-G25 PolarHBondContact O-N 2.99Å
24	S	52.8	Low	60.5	Low	112 Å²	112	111.8 Å²	111.8	78%	0.783	68%	0.675	S	S	*	*			trans	-63.9	88.1	157.3	42	0	0	0	0	105.2	S22 A26	S22-S24 PolarHBondContact O-N 2.89Å; S24-A26 PolarHBondContact O-N 2.82Å
25	G	49.5	Very low	62.6	Low	61 Å²	61	107.4 Å²	107.4	63%	0.629	65%	0.646	S	S	*	*			trans	-53.3	115.5	165.7	0	0	0	0	0	105.7	S23 E27	S23-G25 PolarHBondContact O-N 2.99Å; G25-E27 PolarHBondContact O-N 2.78Å
26	A	48.9	Very low	64.6	Low	101 Å²	101	102.4 Å²	102.4	84%	0.835	62%	0.616	S	S	*	*			trans	-58.1	95	160.6	0	0	0	0	0	105.3	S24 G28	S24-A26 PolarHBondContact O-N 2.82Å; A26-G28 PolarHBondContact O-N 2.75Å
27	E	49.7	Very low	66.8	Low	178 Å²	178	101.1 Å²	101.1	83%	0.832	59%	0.594	S	S	*	*			trans	-63.9	82.4	161.3	-75.4	-145	155	0	0	105.6	G25 F29	G25-E27 PolarHBondContact O-N 2.78Å; E27-F29 PolarHBondContact O-N 3.15Å; E27-F29 VanDerWaalsContact O-N 3.15Å
28	G	52.2	Low	68.8	Low	56 Å²	56	94 Å²	94	58%	0.577	56%	0.558	S	S	*	*			trans	-51.9	125.7	167.9	0	0	0	0	0	106.5	A26 R30	A26-G28 PolarHBondContact O-N 2.75Å; G28-R30 VanDerWaalsContact C-N 3.33Å; G28-R30 PolarHBondContact O-N 2.72Å
29	F	56.7	Low	70.9	Confident	210 Å²	210	93.2 Å²	93.2	92%	0.921	54%	0.536	S	S	*	.			trans	-44.5	98	177.6	-92.9	-99.7	0	0	0	109.1	E27 K31	E27-F29 PolarHBondContact O-N 3.15Å; E27-F29 VanDerWaalsContact O-N 3.15Å; F29-K31 PolarHBondContact O-N 2.68Å; F29-K31 VanDerWaalsContact O-N 3.13Å
30	R	68.1	Low	73	Confident	216 Å²	216	89 Å²	89	82%	0.815	50%	0.502	S	S	*	.			trans	-65.7	118	173.5	-82.7	-177.5	162.5	177.5	-3.6	105.2	G28 R32	G28-R30 VanDerWaalsContact C-N 3.33Å; G28-R30 PolarHBondContact O-N 2.72Å; R30-R32 VanDerWaalsContact O-CG 3.28Å; R30-R32 WeakPolarHBondContact O-CG 3.03Å; R30-R32 PolarHBondContact O-N 3.13Å
31	K	75.4	Confident	75.1	Confident	142 Å²	142	82.5 Å²	82.5	62%	0.617	47%	0.467	S	S	*	.			trans	-53.1	109.2	170.4	-64.6	-178.3	175.7	-132.7	0	107.9	F29 V206 E208	F29-K31 PolarHBondContact O-N 2.68Å; F29-K31 VanDerWaalsContact O-N 3.13Å; K31-V206 HydrophobicContact CB-CG1 4.34Å; K31-E208 HydrophobicContact CB-CG 3.84Å; K31-E208 HydrophobicContact CD-CG 4.2Å; K31-E208 WeakPolarHBondContact CD-OE1 3.04Å; K31-E208 WeakPolarHBondContact CE-OE1 3.35Å; K31-E208 HydrophobicContact CG-CG 3.95Å; K31-E208 WeakPolarHBondContact CG-OE1 3.35Å; K31-E208 IonicContact NZ-OE1 2.68Å; K31-E208 PolarHBondContact NZ-OE1 3.33Å
32	R	88.8	Confident	77.3	Confident	159 Å²	159	76.6 Å²	76.6	60%	0.6	43%	0.431	S	S	*	.			trans	-100.7	139.8	178.8	-60.6	-166.9	-175.8	-175.9	1.8	109.2	R30 E208 V209 W212	R30-R32 VanDerWaalsContact O-CG 3.28Å; R30-R32 WeakPolarHBondContact O-CG 3.03Å; R30-R32 PolarHBondContact O-N 3.13Å; R32-E208 WeakPolarHBondContact O-CA 3.47Å; R32-V209 PolarHBondContact O-N 2.74Å; R32-W212 HydrophobicContact CB-CB 4.02Å; R32-W212 HydrophobicContact CB-CG 4.42Å
33	G	94.2	Very high	79.5	Confident	13 Å²	13	73.3 Å²	73.3	13%	0.134	41%	0.405	C	S	.	.	S	Bend	trans	151.2	174.1	-178.1	0	0	0	0	0	112.8	V207 W212	G33-V207 WeakPolarHBondContact CA-O 3.33Å; G33-W212 VanDerWaalsContact N-CD1 3.26Å
34	P	95.9	Very high	81.7	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.013	37%	0.37	C	S	.	.			trans	-68.8	146.8	176	31	-36.8	0	0	0	111.6	F59 V62 L124 W131 V207 W212	P34-F59 HydrophobicContact CB-CB 4.16Å; P34-F59 HydrophobicContact CB-CD1 3.56Å; P34-F59 HydrophobicContact CB-CD2 4.18Å; P34-F59 HydrophobicContact CB-CE1 3.9Å; P34-F59 HydrophobicContact CB-CE2 4.48Å; P34-F59 HydrophobicContact CB-CG 3.7Å; P34-F59 HydrophobicContact CB-CZ 4.34Å; P34-F59 HydrophobicContact CG-CD1 3.78Å; P34-F59 HydrophobicContact CG-CD2 4.18Å; P34-F59 HydrophobicContact CG-CE1 3.55Å; P34-F59 HydrophobicContact CG-CE2 3.98Å; P34-F59 HydrophobicContact CG-CG 4.07Å; P34-F59 HydrophobicContact CG-CZ 3.65Å; P34-V62 HydrophobicContact CB-CG2 4.26Å; P34-L124 HydrophobicContact CB-CD2 3.81Å; P34-L124 HydrophobicContact CG-CD2 3.65Å; P34-W131 HydrophobicContact CG-CH2 4.14Å; P34-W131 HydrophobicContact CG-CZ3 4.42Å; P34-V207 PolarHBondContact O-N 3.12Å; P34-W212 HydrophobicContact CB-CH2 4.34Å; P34-W212 HydrophobicContact CB-CZ2 4.46Å
35	S	96.4	Very high	83.9	Confident	21 Å²	21	67.2 Å²	67.2	15%	0.147	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.2	175.9	-173	0	0	0	0	110.6	T37 P204 F205	S35-T37 PolarHBondContact O-N 2.95Å; S35-P204 VanDerWaalsContact OG-CB 3.3Å; S35-P204 WeakPolarHBondContact OG-CB 3.44Å; S35-F205 CarbonylContact C-O 3.52Å; S35-F205 WeakPolarHBondContact CA-O 3.4Å
36	V	97.9	Very high	86.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	115.8	169.6	174.8	0	0	0	0	108.7	A38 K39 L58 F59 P204 F205 V207	V36-A38 WeakPolarHBondContact CG1-O 3.32Å; V36-K39 HydrophobicContact CG1-CG 4.19Å; V36-L58 WeakPolarHBondContact CA-O 3.24Å; V36-F59 HydrophobicContact CG2-CD1 4.27Å; V36-F59 HydrophobicContact CG2-CE1 3.93Å; V36-P204 VanDerWaalsContact O-CA 3.24Å; V36-P204 WeakPolarHBondContact O-CA 3.48Å; V36-P204 WeakPolarHBondContact O-CB 3.4Å; V36-F205 HydrophobicContact CB-CD1 4.27Å; V36-F205 HydrophobicContact CB-CD2 4.42Å; V36-F205 HydrophobicContact CB-CE1 3.84Å; V36-F205 HydrophobicContact CB-CE2 4.02Å; V36-F205 HydrophobicContact CB-CZ 3.71Å; V36-F205 HydrophobicContact CG1-CE1 3.74Å; V36-F205 HydrophobicContact CG1-CE2 4.48Å; V36-F205 HydrophobicContact CG1-CZ 3.71Å; V36-F205 HydrophobicContact CG2-CD2 4.46Å; V36-F205 HydrophobicContact CG2-CE2 3.87Å; V36-F205 HydrophobicContact CG2-CZ 3.9Å; V36-F205 PolarHBondContact N-O 2.96Å; V36-V207 HydrophobicContact CG2-CG2 3.66Å
37	T	97.6	Very high	88.6	Confident	45 Å²	45	61.7 Å²	61.7	28%	0.276	30%	0.298	S	S	.	.			trans	-111.4	-17	179.8	56.1	0	0	0	0	113.9	S35 L58 G60 K61 P204	S35-T37 PolarHBondContact O-N 2.95Å; T37-L58 PolarHBondContact N-O 2.79Å; T37-G60 WeakPolarHBondContact OG1-CA 3.28Å; T37-G60 PolarHBondContact OG1-N 2.85Å; T37-K61 HydrophobicContact CG2-CD 4.3Å; T37-K61 HydrophobicContact CG2-CG 3.88Å; T37-P204 HydrophobicContact CG2-CB 4.41Å
38	A	97.8	Very high	90.8	Very high	12 Å²	12	60.9 Å²	60.9	10%	0.099	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.5	173.7	0	0	0	0	0	109.3	V36 L58 V67 V71	V36-A38 WeakPolarHBondContact CG1-O 3.32Å; A38-L58 HydrophobicContact CB-CB 4.25Å; A38-L58 HydrophobicContact CB-CD1 4.24Å; A38-L58 PolarHBondContact O-N 2.88Å; A38-V67 HydrophobicContact CB-CG1 4.36Å; A38-V71 HydrophobicContact CB-CG2 4.27Å
39	K	98.8	Very high	93	Very high	50 Å²	50	67.3 Å²	67.3	22%	0.217	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.8	171.4	-72.5	172	-171.7	-171.8	0	109.8	V36 V55 I56 I167 K198 I199 V201 F205	V36-K39 HydrophobicContact CG1-CG 4.19Å; K39-V55 HydrophobicContact CB-CG1 4.36Å; K39-V55 HydrophobicContact CD-CG1 4.36Å; K39-I56 CarbonylContact C-O 3.58Å; K39-I56 VanDerWaalsContact CA-O 3.22Å; K39-I56 WeakPolarHBondContact CA-O 3.43Å; K39-I167 HydrophobicContact CD-CD1 3.64Å; K39-I167 HydrophobicContact CG-CD1 3.81Å; K39-K198 WeakPolarHBondContact O-CA 3.38Å; K39-I199 HydrophobicContact CB-CB 3.83Å; K39-I199 HydrophobicContact CB-CG2 4.38Å; K39-I199 HydrophobicContact CD-CG2 4.29Å; K39-I199 PolarHBondContact N-O 2.97Å; K39-I199 PolarHBondContact O-N 3.2Å; K39-V201 HydrophobicContact CB-CG2 4.12Å; K39-V201 HydrophobicContact CD-CG2 3.9Å; K39-V201 HydrophobicContact CG-CG2 3.61Å; K39-F205 VanDerWaalsContact CE-CE1 3.48Å
40	V	98.8	Very high	95	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.8	169.1	159.5	0	0	0	0	108.6	F42 V55 I56 L58 F70 V71 A74 G197	V40-F42 HydrophobicContact CG1-CD1 4.18Å; V40-F42 HydrophobicContact CG1-CE1 3.64Å; V40-F42 HydrophobicContact CG1-CZ 3.97Å; V40-V55 WeakPolarHBondContact O-CA 3.29Å; V40-I56 PolarHBondContact N-O 2.85Å; V40-I56 PolarHBondContact O-N 3.32Å; V40-L58 HydrophobicContact CB-CD1 4.27Å; V40-L58 HydrophobicContact CG2-CD1 3.73Å; V40-F70 HydrophobicContact CB-CD1 4.33Å; V40-F70 HydrophobicContact CB-CE1 4.05Å; V40-F70 HydrophobicContact CG1-CD1 4.4Å; V40-F70 HydrophobicContact CG1-CE1 3.84Å; V40-F70 HydrophobicContact CG2-CD1 4.15Å; V40-F70 HydrophobicContact CG2-CE1 4.36Å; V40-V71 HydrophobicContact CG2-CG2 4.01Å; V40-A74 HydrophobicContact CB-CB 4.23Å; V40-A74 HydrophobicContact CG1-CB 3.45Å; V40-A74 VanDerWaalsContact CG1-CB 3.45Å; V40-A74 HydrophobicContact CG2-CB 3.66Å; V40-G197 CarbonylContact C-O 3.56Å; V40-G197 VanDerWaalsContact CA-O 3.25Å; V40-G197 WeakPolarHBondContact CA-O 3.18Å
41	F	98.9	Very high	96.5	Very high	24 Å²	24	53.7 Å²	53.7	11%	0.105	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	152.5	169.6	73.9	-86.1	0	0	0	112.1	D43 R53 I54 V55 S196 G197 I199	F41-D43 WeakPolarHBondContact CE2-OD2 3.4Å; F41-R53 HydrophobicContact CB-CG 3.99Å; F41-I54 CarbonylContact C-O 3.52Å; F41-I54 WeakPolarHBondContact CA-O 3.47Å; F41-V55 HydrophobicContact CB-CG2 4.48Å; F41-S196 VanDerWaalsContact O-CA 3.26Å; F41-S196 WeakPolarHBondContact O-CA 3.48Å; F41-G197 VanDerWaalsContact CD1-O 3.29Å; F41-G197 WeakPolarHBondContact CD1-O 3.41Å; F41-G197 VanDerWaalsContact CE1-CA 3.41Å; F41-G197 PolarHBondContact N-O 2.83Å; F41-G197 PolarHBondContact O-N 3.48Å; F41-I199 HydrophobicContact CB-CD1 3.83Å; F41-I199 HydrophobicContact CB-CG1 4.5Å; F41-I199 HydrophobicContact CD1-CD1 4.05Å; F41-I199 HydrophobicContact CD1-CG1 3.83Å; F41-I199 HydrophobicContact CG-CD1 4.31Å
42	F	98.9	Very high	97.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.2	167.1	-60.2	-36.4	0	0	0	109.3	V40 V44 R53 I54 I56 F70 A74 Y82 F146 I193	V40-F42 HydrophobicContact CG1-CD1 4.18Å; V40-F42 HydrophobicContact CG1-CE1 3.64Å; V40-F42 HydrophobicContact CG1-CZ 3.97Å; F42-V44 HydrophobicContact CB-CG2 4.26Å; F42-R53 CarbonylContact O-C 3.51Å; F42-R53 VanDerWaalsContact O-CA 3.25Å; F42-R53 WeakPolarHBondContact O-CA 3.48Å; F42-I54 HydrophobicContact CB-CB 4.42Å; F42-I54 PolarHBondContact N-O 2.93Å; F42-I54 PolarHBondContact O-N 2.96Å; F42-I56 HydrophobicContact CD2-CD1 4.02Å; F42-I56 HydrophobicContact CE2-CD1 3.58Å; F42-I56 HydrophobicContact CZ-CD1 4.35Å; F42-F70 HydrophobicContact CE2-CE1 4.49Å; F42-F70 AromaticContact CE2-CZ 3.85Å; F42-F70 HydrophobicContact CE2-CZ 3.85Å; F42-F70 AromaticContact CZ-CE1 3.94Å; F42-F70 HydrophobicContact CZ-CE1 3.94Å; F42-F70 HydrophobicContact CZ-CE2 4.28Å; F42-F70 AromaticContact CZ-CZ 3.45Å; F42-F70 HydrophobicContact CZ-CZ 3.45Å; F42-F70 VanDerWaalsContact CZ-CZ 3.45Å; F42-A74 HydrophobicContact CE1-CB 4.41Å; F42-Y82 AromaticContact CE1-CD2 3.78Å; F42-Y82 HydrophobicContact CE1-CD2 3.78Å; F42-Y82 HydrophobicContact CE1-CG 4.18Å; F42-Y82 AromaticContact CZ-CD2 3.84Å; F42-Y82 HydrophobicContact CZ-CD2 3.84Å; F42-Y82 HydrophobicContact CZ-CE2 4.3Å; F42-Y82 HydrophobicContact CZ-CG 4.31Å; F42-F146 HydrophobicContact CD2-CZ 4.31Å; F42-F146 HydrophobicContact CE2-CE1 4.18Å; F42-F146 AromaticContact CE2-CE2 3.9Å; F42-F146 HydrophobicContact CE2-CE2 3.9Å; F42-F146 AromaticContact CE2-CZ 3.44Å; F42-F146 HydrophobicContact CE2-CZ 3.44Å; F42-F146 VanDerWaalsContact CE2-CZ 3.44Å; F42-F146 HydrophobicContact CZ-CE1 4.22Å; F42-F146 AromaticContact CZ-CZ 3.94Å; F42-F146 HydrophobicContact CZ-CZ 3.94Å; F42-I193 HydrophobicContact CB-CG1 4.41Å; F42-I193 HydrophobicContact CB-CG2 4.02Å; F42-I193 HydrophobicContact CD1-CD1 4.15Å; F42-I193 HydrophobicContact CD1-CG2 3.79Å; F42-I193 HydrophobicContact CD2-CD1 4.1Å; F42-I193 HydrophobicContact CE1-CD1 4.32Å; F42-I193 HydrophobicContact CE2-CD1 4.24Å; F42-I193 HydrophobicContact CG-CD1 4.06Å; F42-I193 HydrophobicContact CG-CG1 4.36Å; F42-I193 HydrophobicContact CG-CG2 4.1Å; F42-I193 HydrophobicContact CZ-CD1 4.35Å
43	D	98.9	Very high	98	Very high	31 Å²	31	46.2 Å²	46.2	17%	0.166	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124	164.1	-62.2	-38.2	0	0	0	107.8	F41 R53 I193 V194 N195	F41-D43 WeakPolarHBondContact CE2-OD2 3.4Å; D43-R53 VanDerWaalsContact CG-NH2 3.3Å; D43-R53 IonicContact OD1-CZ 3.22Å; D43-R53 IonicContact OD1-NE 2.68Å; D43-R53 PolarHBondContact OD1-NE 2.9Å; D43-R53 IonicContact OD1-NH2 2.93Å; D43-R53 PolarHBondContact OD1-NH2 2.82Å; D43-R53 IonicContact OD2-CZ 3.83Å; D43-R53 IonicContact OD2-NE 3.97Å; D43-R53 IonicContact OD2-NH2 2.84Å; D43-R53 PolarHBondContact OD2-NH2 3.28Å; D43-I193 CarbonylContact O-C 3.54Å; D43-V194 HydrophobicContact CB-CG2 4.05Å; D43-V194 VanDerWaalsContact O-CG2 3.32Å; D43-V194 WeakPolarHBondContact O-CG2 3.32Å; D43-V194 PolarHBondContact O-N 2.92Å; D43-N195 HydrophobicContact CB-CB 3.94Å; D43-N195 PolarHBondContact N-O 3.4Å; D43-N195 WeakPolarHBondContact OD2-CB 3.3Å; D43-N195 PolarHBondContact OD2-ND2 3.13Å
44	V	98.9	Very high	98.3	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.7	-170.2	-178.2	0	0	0	0	110.8	F42 V51 G52 I54 F87 V172 I176 S192	F42-V44 HydrophobicContact CB-CG2 4.26Å; V44-V51 HydrophobicContact CB-CG2 3.84Å; V44-V51 HydrophobicContact CG1-CG2 3.68Å; V44-V51 VanDerWaalsContact O-CG2 3.23Å; V44-V51 WeakPolarHBondContact O-CG2 3.05Å; V44-V51 PolarHBondContact O-N 2.68Å; V44-G52 PolarHBondContact N-O 2.82Å; V44-I54 HydrophobicContact CG2-CD1 3.84Å; V44-I54 HydrophobicContact CG2-CG1 4.24Å; V44-F87 HydrophobicContact CG2-CE2 4.3Å; V44-V172 HydrophobicContact CB-CG1 3.78Å; V44-V172 HydrophobicContact CG1-CG1 4.26Å; V44-V172 HydrophobicContact CG2-CG1 3.97Å; V44-I176 HydrophobicContact CG1-CD1 4.02Å; V44-I176 HydrophobicContact CG1-CG1 4.22Å; V44-S192 WeakPolarHBondContact CA-O 3.34Å
45	R	98.8	Very high	98.4	Very high	89 Å²	89	46.1 Å²	46.1	34%	0.336	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.1	170.5	-178.7	173.5	-68.1	177.9	-2.5	110.2	G47 R49 D50 C191 S192 V194	R45-G47 VanDerWaalsContact CD-O 3.28Å; R45-G47 WeakPolarHBondContact CD-O 3.35Å; R45-G47 WeakPolarHBondContact CG-O 3.47Å; R45-R49 CarbonylContact C-O 3.46Å; R45-R49 VanDerWaalsContact CA-O 3.31Å; R45-R49 WeakPolarHBondContact CA-O 3.35Å; R45-R49 WeakPolarHBondContact CG-O 3.22Å; R45-D50 IonicContact CZ-OD1 3.95Å; R45-D50 IonicContact NE-OD1 3.6Å; R45-D50 PolarHBondContact NE-OD1 2.99Å; R45-D50 IonicContact NH2-OD1 2.84Å; R45-D50 PolarHBondContact NH2-OD1 2.93Å; R45-D50 IonicContact NH2-OD2 2.73Å; R45-D50 PolarHBondContact NH2-OD2 2.84Å; R45-D50 VanDerWaalsContact NH2-OD2 3.15Å; R45-C191 CarbonylContact O-C 3.04Å; R45-C191 WeakPolarHBondContact O-CA 3.21Å; R45-S192 PolarHBondContact N-O 3.27Å; R45-S192 PolarHBondContact O-N 3.32Å; R45-V194 HydrophobicContact CB-CG1 3.52Å; R45-V194 HydrophobicContact CB-CG2 4.39Å; R45-V194 HydrophobicContact CG-CG1 4.44Å
46	I	98.8	Very high	98.5	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.087	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	113.5	170.9	-59.9	-177	0	0	0	107.7	D48 R49 V51 S175 I176 Q179 T189 N190	I46-D48 PolarHBondContact O-N 2.83Å; I46-R49 PolarHBondContact N-O 3Å; I46-R49 PolarHBondContact O-N 3.28Å; I46-V51 HydrophobicContact CB-CG1 4.07Å; I46-V51 HydrophobicContact CD1-CG1 3.99Å; I46-V51 HydrophobicContact CD1-CG2 4.12Å; I46-V51 HydrophobicContact CG1-CG1 3.91Å; I46-V51 HydrophobicContact CG1-CG2 3.85Å; I46-S175 WeakPolarHBondContact CD1-O 3.47Å; I46-I176 HydrophobicContact CD1-CG1 4.28Å; I46-Q179 HydrophobicContact CD1-CG 4.21Å; I46-Q179 HydrophobicContact CG2-CG 4.13Å; I46-T189 HydrophobicContact CG2-CG2 3.7Å; I46-N190 CarbonylContact C-O 3.36Å; I46-N190 WeakPolarHBondContact CA-O 3.44Å
47	G	98.3	Very high	98.6	Very high	29 Å²	29	45.1 Å²	45.1	30%	0.299	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-115.6	-168.9	0	0	0	0	0	109.9	R45 N190	R45-G47 VanDerWaalsContact CD-O 3.28Å; R45-G47 WeakPolarHBondContact CD-O 3.35Å; R45-G47 WeakPolarHBondContact CG-O 3.47Å; G47-N190 PolarHBondContact N-O 3.47Å
48	D	97.1	Very high	98.6	Very high	160 Å²	160	43 Å²	43	86%	0.856	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	2.8	177.3	-60.9	-43.5	0	0	0	113.5	I46	I46-D48 PolarHBondContact O-N 2.83Å
49	R	98.3	Very high	98.7	Very high	191 Å²	191	42.4 Å²	42.4	72%	0.721	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.7	-175.3	-176.5	-176.6	-66.7	174.2	-0	111.8	R45 I46 V51	R45-R49 CarbonylContact C-O 3.46Å; R45-R49 VanDerWaalsContact CA-O 3.31Å; R45-R49 WeakPolarHBondContact CA-O 3.35Å; R45-R49 WeakPolarHBondContact CG-O 3.22Å; I46-R49 PolarHBondContact N-O 3Å; I46-R49 PolarHBondContact O-N 3.28Å; R49-V51 HydrophobicContact CG-CG1 4.35Å; R49-V51 PolarHBondContact O-N 2.96Å
50	D	98.6	Very high	98.6	Very high	100 Å²	100	40.9 Å²	40.9	54%	0.535	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	121.1	167.1	-64.7	-34.5	0	0	0	109.6	R45	R45-D50 IonicContact CZ-OD1 3.95Å; R45-D50 IonicContact NE-OD1 3.6Å; R45-D50 PolarHBondContact NE-OD1 2.99Å; R45-D50 IonicContact NH2-OD1 2.84Å; R45-D50 PolarHBondContact NH2-OD1 2.93Å; R45-D50 IonicContact NH2-OD2 2.73Å; R45-D50 PolarHBondContact NH2-OD2 2.84Å; R45-D50 VanDerWaalsContact NH2-OD2 3.15Å
51	V	98.4	Very high	98.6	Very high	40 Å²	40	48.2 Å²	48.2	24%	0.242	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-9.4	-174	-68.4	0	0	0	0	113.5	V44 I46 R49 V172	V44-V51 HydrophobicContact CB-CG2 3.84Å; V44-V51 HydrophobicContact CG1-CG2 3.68Å; V44-V51 VanDerWaalsContact O-CG2 3.23Å; V44-V51 WeakPolarHBondContact O-CG2 3.05Å; V44-V51 PolarHBondContact O-N 2.68Å; I46-V51 HydrophobicContact CB-CG1 4.07Å; I46-V51 HydrophobicContact CD1-CG1 3.99Å; I46-V51 HydrophobicContact CD1-CG2 4.12Å; I46-V51 HydrophobicContact CG1-CG1 3.91Å; I46-V51 HydrophobicContact CG1-CG2 3.85Å; R49-V51 HydrophobicContact CG-CG1 4.35Å; R49-V51 PolarHBondContact O-N 2.96Å; V51-V172 HydrophobicContact CG2-CG1 3.84Å
52	G	98.7	Very high	98.5	Very high	36 Å²	36	48.1 Å²	48.1	37%	0.371	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	125.9	-160.5	171.3	0	0	0	0	0	113.2	V44	V44-G52 PolarHBondContact N-O 2.82Å
53	R	98.9	Very high	98.5	Very high	109 Å²	109	48.1 Å²	48.1	41%	0.411	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.9	-173.9	177.7	170.6	-72	-175.5	-2.2	111.6	F41 F42 D43 V55 G169	F41-R53 HydrophobicContact CB-CG 3.99Å; F42-R53 CarbonylContact O-C 3.51Å; F42-R53 VanDerWaalsContact O-CA 3.25Å; F42-R53 WeakPolarHBondContact O-CA 3.48Å; D43-R53 VanDerWaalsContact CG-NH2 3.3Å; D43-R53 IonicContact OD1-CZ 3.22Å; D43-R53 IonicContact OD1-NE 2.68Å; D43-R53 PolarHBondContact OD1-NE 2.9Å; D43-R53 IonicContact OD1-NH2 2.93Å; D43-R53 PolarHBondContact OD1-NH2 2.82Å; D43-R53 IonicContact OD2-CZ 3.83Å; D43-R53 IonicContact OD2-NE 3.97Å; D43-R53 IonicContact OD2-NH2 2.84Å; D43-R53 PolarHBondContact OD2-NH2 3.28Å; R53-V55 HydrophobicContact CG-CG2 4.02Å; R53-G169 VanDerWaalsContact O-CA 3.3Å; R53-G169 WeakPolarHBondContact O-CA 3.34Å
54	I	98.9	Very high	98.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.5	164.9	-57.3	169.2	0	0	0	107.6	F41 F42 V44 I56 F87 V166 V172 V173 I176	F41-I54 CarbonylContact C-O 3.52Å; F41-I54 WeakPolarHBondContact CA-O 3.47Å; F42-I54 HydrophobicContact CB-CB 4.42Å; F42-I54 PolarHBondContact N-O 2.93Å; F42-I54 PolarHBondContact O-N 2.96Å; V44-I54 HydrophobicContact CG2-CD1 3.84Å; V44-I54 HydrophobicContact CG2-CG1 4.24Å; I54-I56 HydrophobicContact CG2-CG1 4.04Å; I54-F87 HydrophobicContact CD1-CZ 4.41Å; I54-V166 HydrophobicContact CG2-CG1 4Å; I54-V166 HydrophobicContact CG2-CG2 4.09Å; I54-V172 HydrophobicContact CD1-CB 4.45Å; I54-V172 HydrophobicContact CD1-CG1 4.14Å; I54-V172 HydrophobicContact CG1-CB 3.82Å; I54-V172 HydrophobicContact CG1-CG1 3.84Å; I54-V173 HydrophobicContact CD1-CG2 3.72Å; I54-V173 HydrophobicContact CG1-CG2 4.03Å; I54-V173 HydrophobicContact CG2-CG2 4.21Å; I54-I176 HydrophobicContact CD1-CD1 4.16Å
55	V	98.9	Very high	98.5	Very high	13 Å²	13	56.1 Å²	56.1	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126	171	-172.7	0	0	0	0	109.5	K39 V40 F41 R53 V166 I167 D168 I199	K39-V55 HydrophobicContact CB-CG1 4.36Å; K39-V55 HydrophobicContact CD-CG1 4.36Å; V40-V55 WeakPolarHBondContact O-CA 3.29Å; F41-V55 HydrophobicContact CB-CG2 4.48Å; R53-V55 HydrophobicContact CG-CG2 4.02Å; V55-V166 WeakPolarHBondContact O-CA 3.42Å; V55-I167 HydrophobicContact CB-CG1 4.09Å; V55-I167 HydrophobicContact CG1-CD1 3.84Å; V55-I167 HydrophobicContact CG1-CG1 3.8Å; V55-I167 WeakPolarHBondContact O-CG1 3.49Å; V55-I167 PolarHBondContact O-N 3.39Å; V55-D168 HydrophobicContact CB-CB 3.96Å; V55-D168 HydrophobicContact CG2-CB 4.08Å; V55-D168 PolarHBondContact N-O 3.39Å; V55-D168 PolarHBondContact O-N 2.78Å; V55-I199 HydrophobicContact CG1-CD1 4.03Å; V55-I199 HydrophobicContact CG2-CD1 4.29Å
56	I	98.9	Very high	98.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.6	-177.8	-56.8	169.5	0	0	0	108.5	K39 V40 F42 I54 L58 F70 V132 K165 V166	K39-I56 CarbonylContact C-O 3.58Å; K39-I56 VanDerWaalsContact CA-O 3.22Å; K39-I56 WeakPolarHBondContact CA-O 3.43Å; V40-I56 PolarHBondContact N-O 2.85Å; V40-I56 PolarHBondContact O-N 3.32Å; F42-I56 HydrophobicContact CD2-CD1 4.02Å; F42-I56 HydrophobicContact CE2-CD1 3.58Å; F42-I56 HydrophobicContact CZ-CD1 4.35Å; I54-I56 HydrophobicContact CG2-CG1 4.04Å; I56-L58 HydrophobicContact CG2-CD2 3.73Å; I56-L58 HydrophobicContact CG2-CG 4.47Å; I56-F70 HydrophobicContact CD1-CE1 4.07Å; I56-F70 HydrophobicContact CD1-CZ 3.96Å; I56-V132 HydrophobicContact CD1-CG2 4.28Å; I56-V132 HydrophobicContact CG1-CG2 4.31Å; I56-V132 HydrophobicContact CG2-CB 4.31Å; I56-V132 HydrophobicContact CG2-CG2 3.7Å; I56-K165 WeakPolarHBondContact CA-O 3.25Å; I56-V166 HydrophobicContact CG1-CG2 4.37Å
57	G	98.8	Very high	98.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	134.6	166	0	0	0	0	0	110.6	G164 K165	G57-G164 CarbonylContact O-C 3.47Å; G57-G164 WeakPolarHBondContact O-CA 3.42Å; G57-K165 PolarHBondContact N-O 3.06Å; G57-K165 PolarHBondContact O-N 3.09Å
58	L	98.8	Very high	98.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.7	-172.3	-58.6	173.1	0	0	0	111.7	V36 T37 A38 V40 I56 G60 V67 F70 V71 F163	V36-L58 WeakPolarHBondContact CA-O 3.24Å; T37-L58 PolarHBondContact N-O 2.79Å; A38-L58 HydrophobicContact CB-CB 4.25Å; A38-L58 HydrophobicContact CB-CD1 4.24Å; A38-L58 PolarHBondContact O-N 2.88Å; V40-L58 HydrophobicContact CB-CD1 4.27Å; V40-L58 HydrophobicContact CG2-CD1 3.73Å; I56-L58 HydrophobicContact CG2-CD2 3.73Å; I56-L58 HydrophobicContact CG2-CG 4.47Å; L58-G60 PolarHBondContact O-N 2.93Å; L58-V67 HydrophobicContact CB-CB 4.5Å; L58-V67 HydrophobicContact CB-CG1 3.82Å; L58-V67 HydrophobicContact CB-CG2 3.89Å; L58-V67 HydrophobicContact CD1-CG1 4.12Å; L58-F70 HydrophobicContact CD1-CD1 4.03Å; L58-F70 HydrophobicContact CD2-CD1 3.78Å; L58-F70 HydrophobicContact CD2-CE1 4.14Å; L58-V71 HydrophobicContact CD1-CG2 3.47Å; L58-V71 VanDerWaalsContact CD1-CG2 3.47Å; L58-F163 HydrophobicContact CD2-CD2 3.67Å; L58-F163 HydrophobicContact CD2-CE2 3.72Å
59	F	98.5	Very high	98.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.			trans	-98.2	60	-169.7	-50.7	-46.2	0	0	0	113.1	P34 V36 K61 V62 V63 L124 W131 F163 G164 K165 V207	P34-F59 HydrophobicContact CB-CB 4.16Å; P34-F59 HydrophobicContact CB-CD1 3.56Å; P34-F59 HydrophobicContact CB-CD2 4.18Å; P34-F59 HydrophobicContact CB-CE1 3.9Å; P34-F59 HydrophobicContact CB-CE2 4.48Å; P34-F59 HydrophobicContact CB-CG 3.7Å; P34-F59 HydrophobicContact CB-CZ 4.34Å; P34-F59 HydrophobicContact CG-CD1 3.78Å; P34-F59 HydrophobicContact CG-CD2 4.18Å; P34-F59 HydrophobicContact CG-CE1 3.55Å; P34-F59 HydrophobicContact CG-CE2 3.98Å; P34-F59 HydrophobicContact CG-CG 4.07Å; P34-F59 HydrophobicContact CG-CZ 3.65Å; V36-F59 HydrophobicContact CG2-CD1 4.27Å; V36-F59 HydrophobicContact CG2-CE1 3.93Å; F59-K61 PolarHBondContact O-N 2.98Å; F59-V62 HydrophobicContact CB-CB 4.35Å; F59-V62 HydrophobicContact CB-CG2 4.32Å; F59-V62 PolarHBondContact O-N 3.35Å; F59-V63 PolarHBondContact O-N 2.98Å; F59-V63 VanDerWaalsContact O-N 3.09Å; F59-L124 HydrophobicContact CB-CD1 4.13Å; F59-L124 HydrophobicContact CD2-CD1 3.57Å; F59-L124 HydrophobicContact CD2-CD2 4.2Å; F59-L124 HydrophobicContact CE2-CD1 4.37Å; F59-L124 HydrophobicContact CE2-CD2 4.37Å; F59-L124 HydrophobicContact CG-CD1 4.21Å; F59-W131 AromaticContact CE2-CE3 3.95Å; F59-W131 HydrophobicContact CE2-CE3 3.95Å; F59-W131 HydrophobicContact CE2-CH2 4.33Å; F59-W131 AromaticContact CE2-CZ3 3.47Å; F59-W131 HydrophobicContact CE2-CZ3 3.47Å; F59-W131 VanDerWaalsContact CE2-CZ3 3.47Å; F59-W131 HydrophobicContact CZ-CE3 4.39Å; F59-W131 HydrophobicContact CZ-CH2 4.28Å; F59-W131 AromaticContact CZ-CZ3 3.82Å; F59-W131 HydrophobicContact CZ-CZ3 3.82Å; F59-F163 WeakPolarHBondContact CD2-O 3.34Å; F59-F163 PolarHBondContact N-O 3.27Å; F59-G164 WeakPolarHBondContact CE2-O 3.16Å; F59-K165 HydrophobicContact CZ-CB 3.88Å; F59-V207 HydrophobicContact CE1-CB 4.31Å; F59-V207 HydrophobicContact CE1-CG2 4.1Å
60	G	98	Very high	98.6	Very high	17 Å²	17	38.7 Å²	38.7	18%	0.175	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.8	-170.8	0	0	0	0	0	115.7	T37 L58 P64	T37-G60 WeakPolarHBondContact OG1-CA 3.28Å; T37-G60 PolarHBondContact OG1-N 2.85Å; L58-G60 PolarHBondContact O-N 2.93Å; G60-P64 WeakPolarHBondContact O-CA 3.43Å; G60-P64 WeakPolarHBondContact O-CB 3.32Å
61	K	97.3	Very high	98.6	Very high	155 Å²	155	34.9 Å²	34.9	67%	0.674	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-22.6	168.6	-73	-177.1	-178.3	-175.7	0	113.4	T37 F59	T37-K61 HydrophobicContact CG2-CD 4.3Å; T37-K61 HydrophobicContact CG2-CG 3.88Å; F59-K61 PolarHBondContact O-N 2.98Å
62	V	98.1	Very high	98.7	Very high	22 Å²	22	33 Å²	33	13%	0.133	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-43.2	-175.9	-171.6	0	0	0	0	110.7	P34 F59 N121 K123 L124	P34-V62 HydrophobicContact CB-CG2 4.26Å; F59-V62 HydrophobicContact CB-CB 4.35Å; F59-V62 HydrophobicContact CB-CG2 4.32Å; F59-V62 PolarHBondContact O-N 3.35Å; V62-N121 PolarHBondContact O-ND2 2.81Å; V62-K123 HydrophobicContact CG1-CB 4.02Å; V62-K123 HydrophobicContact CG1-CD 4.16Å; V62-L124 HydrophobicContact CB-CD1 3.97Å; V62-L124 HydrophobicContact CG1-CD1 3.68Å; V62-L124 HydrophobicContact CG1-CG 4.01Å; V62-L124 HydrophobicContact CG2-CD1 4.4Å
63	V	98.6	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.			trans	-135.2	65	-177.5	-73.9	0	0	0	0	110.8	F59 K65 T66 V67 E120 N121 V161 F163	F59-V63 PolarHBondContact O-N 2.98Å; F59-V63 VanDerWaalsContact O-N 3.09Å; V63-K65 VanDerWaalsContact C-N 3.35Å; V63-K65 PolarHBondContact O-N 3.23Å; V63-T66 PolarHBondContact O-N 3.28Å; V63-V67 HydrophobicContact CG2-CG2 4.21Å; V63-V67 WeakPolarHBondContact O-CB 3.31Å; V63-V67 WeakPolarHBondContact O-CG2 3.3Å; V63-V67 PolarHBondContact O-N 2.88Å; V63-E120 VanDerWaalsContact C-CD 3.45Å; V63-E120 VanDerWaalsContact CA-CD 3.43Å; V63-E120 WeakPolarHBondContact CA-OE2 3.47Å; V63-E120 HydrophobicContact CB-CG 4.48Å; V63-E120 VanDerWaalsContact CB-OE2 3.27Å; V63-E120 WeakPolarHBondContact CB-OE2 3.28Å; V63-E120 HydrophobicContact CG1-CB 4.33Å; V63-E120 HydrophobicContact CG1-CG 4.32Å; V63-N121 WeakPolarHBondContact CG1-ND2 3.26Å; V63-V161 HydrophobicContact CB-CG1 4.5Å; V63-V161 HydrophobicContact CG1-CG1 3.87Å; V63-F163 HydrophobicContact CG2-CB 3.6Å
64	P	98.6	Very high	98.7	Very high	69 Å²	69	26.1 Å²	26.1	45%	0.448	13%	0.133	S	C	.	.	H	α-helix	trans	-55.1	-41.6	-176	18.9	-31.7	0	0	0	114.4	G60 V67 E68 E120	G60-P64 WeakPolarHBondContact O-CA 3.43Å; G60-P64 WeakPolarHBondContact O-CB 3.32Å; P64-V67 PolarHBondContact O-N 2.76Å; P64-E68 WeakPolarHBondContact O-CB 3.35Å; P64-E68 PolarHBondContact O-N 2.82Å; P64-E120 WeakPolarHBondContact CD-OE1 3.27Å; P64-E120 VanDerWaalsContact CG-OE1 3.27Å; P64-E120 WeakPolarHBondContact CG-OE1 3.02Å; P64-E120 VanDerWaalsContact N-OE1 3.09Å
65	K	98.8	Very high	98.7	Very high	132 Å²	132	28.8 Å²	28.8	57%	0.574	15%	0.149	S	C	*	.	H	α-helix	trans	-69.8	-43.5	-178.2	-64.2	-177.2	177.4	-177.5	0	111.6	V63 V67 E68 N69 Y113 E120	V63-K65 VanDerWaalsContact C-N 3.35Å; V63-K65 PolarHBondContact O-N 3.23Å; K65-V67 VanDerWaalsContact C-N 3.27Å; K65-V67 PolarHBondContact O-N 3.15Å; K65-E68 PolarHBondContact O-N 2.73Å; K65-N69 WeakPolarHBondContact O-CB 3.5Å; K65-N69 PolarHBondContact O-N 2.85Å; K65-Y113 WeakPolarHBondContact CA-OH 3.31Å; K65-Y113 HydrophobicContact CB-CE2 4.34Å; K65-Y113 PolarHBondContact O-OH 2.96Å; K65-E120 PolarHBondContact N-OE1 2.6Å; K65-E120 PolarHBondContact N-OE2 2.8Å
66	T	98.9	Very high	98.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-40.9	177.3	-49.2	0	0	0	0	110.6	V63 F70 F117 E120 M134 V161 F163	V63-T66 PolarHBondContact O-N 3.28Å; T66-F70 WeakPolarHBondContact O-CB 3.45Å; T66-F70 PolarHBondContact O-N 2.85Å; T66-F117 HydrophobicContact CG2-CZ 4.34Å; T66-E120 WeakPolarHBondContact CB-OE2 3.21Å; T66-E120 PolarHBondContact N-OE2 2.93Å; T66-E120 PolarHBondContact OG1-OE2 3.04Å; T66-M134 HydrophobicContact CG2-CG 3.65Å; T66-M134 HydrophobicContact CG2-SD 3.86Å; T66-V161 HydrophobicContact CG2-CG1 4.19Å; T66-F163 HydrophobicContact CG2-CB 3.66Å; T66-F163 HydrophobicContact CG2-CD1 3.79Å; T66-F163 HydrophobicContact CG2-CG 3.77Å
67	V	98.8	Very high	98.6	Very high	10 Å²	10	35.5 Å²	35.5	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-68.4	-42.8	176.5	168.5	0	0	0	0	112.3	A38 L58 V63 P64 K65 F70 V71	A38-V67 HydrophobicContact CB-CG1 4.36Å; L58-V67 HydrophobicContact CB-CB 4.5Å; L58-V67 HydrophobicContact CB-CG1 3.82Å; L58-V67 HydrophobicContact CB-CG2 3.89Å; L58-V67 HydrophobicContact CD1-CG1 4.12Å; V63-V67 HydrophobicContact CG2-CG2 4.21Å; V63-V67 WeakPolarHBondContact O-CB 3.31Å; V63-V67 WeakPolarHBondContact O-CG2 3.3Å; V63-V67 PolarHBondContact O-N 2.88Å; P64-V67 PolarHBondContact O-N 2.76Å; K65-V67 VanDerWaalsContact C-N 3.27Å; K65-V67 PolarHBondContact O-N 3.15Å; V67-F70 PolarHBondContact O-N 2.83Å; V67-V71 HydrophobicContact CG1-CG2 4.22Å; V67-V71 WeakPolarHBondContact O-CB 3.24Å; V67-V71 VanDerWaalsContact O-CG2 3.26Å; V67-V71 WeakPolarHBondContact O-CG2 3.21Å; V67-V71 PolarHBondContact O-N 2.85Å
68	E	98.8	Very high	98.6	Very high	110 Å²	110	40.5 Å²	40.5	51%	0.514	21%	0.209	S	C	.	.	H	α-helix	trans	-58.5	-48	175.7	-178.4	-174.5	-153.7	0	0	111	P64 K65 F70 V71 A72 I112 Y113	P64-E68 WeakPolarHBondContact O-CB 3.35Å; P64-E68 PolarHBondContact O-N 2.82Å; K65-E68 PolarHBondContact O-N 2.73Å; E68-F70 PolarHBondContact O-N 2.88Å; E68-V71 PolarHBondContact O-N 3.24Å; E68-A72 WeakPolarHBondContact O-CB 2.92Å; E68-A72 PolarHBondContact O-N 3.39Å; E68-I112 HydrophobicContact CG-CD1 3.95Å; E68-Y113 PolarHBondContact OE2-OH 3.18Å
69	N	98.9	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-54	-53.5	173.9	177.6	60.7	0	0	0	111.9	K65 V71 A72 L73 S111 I112 Y113 F117 G143	K65-N69 WeakPolarHBondContact O-CB 3.5Å; K65-N69 PolarHBondContact O-N 2.85Å; N69-V71 VanDerWaalsContact C-N 3.34Å; N69-V71 PolarHBondContact O-N 3.23Å; N69-A72 PolarHBondContact O-N 3.43Å; N69-L73 WeakPolarHBondContact O-CB 3.25Å; N69-L73 VanDerWaalsContact O-CG 3.28Å; N69-L73 WeakPolarHBondContact O-CG 3.19Å; N69-L73 PolarHBondContact O-N 2.93Å; N69-S111 WeakPolarHBondContact OD1-CA 3.41Å; N69-S111 WeakPolarHBondContact OD1-CB 3.49Å; N69-I112 HydrophobicContact CB-CD1 4.46Å; N69-I112 HydrophobicContact CB-CG1 4.18Å; N69-I112 PolarHBondContact OD1-N 2.88Å; N69-Y113 HydrophobicContact CB-CE2 3.86Å; N69-F117 HydrophobicContact CB-CE1 4.46Å; N69-F117 HydrophobicContact CB-CZ 4.5Å; N69-G143 PolarHBondContact ND2-O 2.87Å; N69-G143 VanDerWaalsContact ND2-O 3.1Å
70	F	98.9	Very high	98.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-38.4	-176.9	-165.3	-99.5	0	0	0	112.8	V40 F42 I56 L58 T66 V67 E68 A74 Y82 F146 F163	V40-F70 HydrophobicContact CB-CD1 4.33Å; V40-F70 HydrophobicContact CB-CE1 4.05Å; V40-F70 HydrophobicContact CG1-CD1 4.4Å; V40-F70 HydrophobicContact CG1-CE1 3.84Å; V40-F70 HydrophobicContact CG2-CD1 4.15Å; V40-F70 HydrophobicContact CG2-CE1 4.36Å; F42-F70 HydrophobicContact CE2-CE1 4.49Å; F42-F70 AromaticContact CE2-CZ 3.85Å; F42-F70 HydrophobicContact CE2-CZ 3.85Å; F42-F70 AromaticContact CZ-CE1 3.94Å; F42-F70 HydrophobicContact CZ-CE1 3.94Å; F42-F70 HydrophobicContact CZ-CE2 4.28Å; F42-F70 AromaticContact CZ-CZ 3.45Å; F42-F70 HydrophobicContact CZ-CZ 3.45Å; F42-F70 VanDerWaalsContact CZ-CZ 3.45Å; I56-F70 HydrophobicContact CD1-CE1 4.07Å; I56-F70 HydrophobicContact CD1-CZ 3.96Å; L58-F70 HydrophobicContact CD1-CD1 4.03Å; L58-F70 HydrophobicContact CD2-CD1 3.78Å; L58-F70 HydrophobicContact CD2-CE1 4.14Å; T66-F70 WeakPolarHBondContact O-CB 3.45Å; T66-F70 PolarHBondContact O-N 2.85Å; V67-F70 PolarHBondContact O-N 2.83Å; E68-F70 PolarHBondContact O-N 2.88Å; F70-A74 VanDerWaalsContact O-CB 3.29Å; F70-A74 WeakPolarHBondContact O-CB 3.19Å; F70-A74 PolarHBondContact O-N 2.95Å; F70-Y82 AromaticContact CD2-CE2 3.63Å; F70-Y82 HydrophobicContact CD2-CE2 3.63Å; F70-Y82 AromaticContact CD2-CZ 3.74Å; F70-Y82 WeakPolarHBondContact CD2-OH 3.41Å; F70-Y82 AromaticContact CE2-CE2 3.59Å; F70-Y82 HydrophobicContact CE2-CE2 3.59Å; F70-Y82 AromaticContact CE2-CZ 3.72Å; F70-Y82 WeakPolarHBondContact CE2-OH 3.3Å; F70-Y82 HydrophobicContact CG-CE2 4.14Å; F70-Y82 HydrophobicContact CZ-CE2 4.11Å; F70-F146 HydrophobicContact CE2-CB 4.12Å; F70-F146 AromaticContact CE2-CD1 3.66Å; F70-F146 HydrophobicContact CE2-CD1 3.66Å; F70-F146 HydrophobicContact CE2-CD2 4.27Å; F70-F146 HydrophobicContact CE2-CE1 4.11Å; F70-F146 AromaticContact CE2-CG 3.75Å; F70-F146 HydrophobicContact CE2-CG 3.75Å; F70-F146 HydrophobicContact CZ-CD1 4.39Å; F70-F146 HydrophobicContact CZ-CD2 4.5Å; F70-F146 HydrophobicContact CZ-CE1 4.48Å; F70-F146 HydrophobicContact CZ-CG 4.4Å; F70-F163 HydrophobicContact CB-CE2 3.99Å; F70-F163 AromaticContact CD1-CE2 3.77Å; F70-F163 HydrophobicContact CD1-CE2 3.77Å; F70-F163 HydrophobicContact CD1-CZ 4.45Å; F70-F163 AromaticContact CD2-CE2 3.54Å; F70-F163 HydrophobicContact CD2-CE2 3.54Å; F70-F163 AromaticContact CD2-CZ 3.43Å; F70-F163 HydrophobicContact CD2-CZ 3.43Å; F70-F163 VanDerWaalsContact CD2-CZ 3.43Å; F70-F163 HydrophobicContact CE1-CE2 4.05Å; F70-F163 AromaticContact CE2-CE2 3.86Å; F70-F163 HydrophobicContact CE2-CE2 3.86Å; F70-F163 AromaticContact CE2-CZ 3.57Å; F70-F163 HydrophobicContact CE2-CZ 3.57Å; F70-F163 HydrophobicContact CG-CD2 4.42Å; F70-F163 AromaticContact CG-CE2 3.48Å; F70-F163 HydrophobicContact CG-CE2 3.48Å; F70-F163 VanDerWaalsContact CG-CE2 3.48Å; F70-F163 AromaticContact CG-CZ 3.9Å; F70-F163 HydrophobicContact CG-CZ 3.9Å; F70-F163 HydrophobicContact CZ-CE2 4.09Å; F70-F163 HydrophobicContact CZ-CZ 4.12Å
71	V	98.9	Very high	98.5	Very high	19 Å²	19	48.2 Å²	48.2	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-68	-44.9	176.8	170.2	0	0	0	0	111.4	A38 V40 L58 V67 E68 N69 L73 A74 T75 K198	A38-V71 HydrophobicContact CB-CG2 4.27Å; V40-V71 HydrophobicContact CG2-CG2 4.01Å; L58-V71 HydrophobicContact CD1-CG2 3.47Å; L58-V71 VanDerWaalsContact CD1-CG2 3.47Å; V67-V71 HydrophobicContact CG1-CG2 4.22Å; V67-V71 WeakPolarHBondContact O-CB 3.24Å; V67-V71 VanDerWaalsContact O-CG2 3.26Å; V67-V71 WeakPolarHBondContact O-CG2 3.21Å; V67-V71 PolarHBondContact O-N 2.85Å; E68-V71 PolarHBondContact O-N 3.24Å; N69-V71 VanDerWaalsContact C-N 3.34Å; N69-V71 PolarHBondContact O-N 3.23Å; V71-L73 VanDerWaalsContact C-N 3.33Å; V71-L73 PolarHBondContact O-N 3.23Å; V71-A74 PolarHBondContact O-N 2.91Å; V71-T75 HydrophobicContact CG1-CG2 4.41Å; V71-T75 WeakPolarHBondContact O-CG2 3.5Å; V71-T75 PolarHBondContact O-N 3.48Å; V71-T75 PolarHBondContact O-OG1 2.7Å; V71-T75 VanDerWaalsContact O-OG1 3.05Å; V71-K198 HydrophobicContact CG1-CB 4.36Å; V71-K198 HydrophobicContact CG1-CD 3.92Å; V71-K198 HydrophobicContact CG1-CG 4.26Å
72	A	98.8	Very high	98.6	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-40.6	179.3	0	0	0	0	0	111.4	E68 N69 T75 G76 E77 I112	E68-A72 WeakPolarHBondContact O-CB 2.92Å; E68-A72 PolarHBondContact O-N 3.39Å; N69-A72 PolarHBondContact O-N 3.43Å; A72-T75 WeakPolarHBondContact CA-OG1 3.49Å; A72-T75 PolarHBondContact O-N 3.05Å; A72-T75 PolarHBondContact O-OG1 3.38Å; A72-G76 PolarHBondContact O-N 3.36Å; A72-E77 HydrophobicContact CB-CG 3.99Å; A72-E77 PolarHBondContact O-N 3.06Å; A72-I112 HydrophobicContact CB-CD1 4.03Å; A72-I112 HydrophobicContact CB-CG2 3.66Å
73	L	98.9	Very high	98.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.9	-35.5	173.4	-68.6	174.8	0	0	0	112.7	N69 V71 Y80 G81 Y82 I101 I112	N69-L73 WeakPolarHBondContact O-CB 3.25Å; N69-L73 VanDerWaalsContact O-CG 3.28Å; N69-L73 WeakPolarHBondContact O-CG 3.19Å; N69-L73 PolarHBondContact O-N 2.93Å; V71-L73 VanDerWaalsContact C-N 3.33Å; V71-L73 PolarHBondContact O-N 3.23Å; L73-Y80 HydrophobicContact CD2-CD2 3.76Å; L73-Y80 HydrophobicContact CD2-CE2 3.62Å; L73-G81 CarbonylContact O-C 3.15Å; L73-G81 WeakPolarHBondContact O-CA 3.32Å; L73-Y82 HydrophobicContact CB-CD2 3.88Å; L73-Y82 HydrophobicContact CB-CE1 4.3Å; L73-Y82 HydrophobicContact CB-CE2 3.47Å; L73-Y82 VanDerWaalsContact CB-CE2 3.47Å; L73-Y82 HydrophobicContact CB-CG 4.45Å; L73-Y82 HydrophobicContact CD1-CE1 4.28Å; L73-Y82 HydrophobicContact CD1-CE2 4.37Å; L73-Y82 WeakPolarHBondContact CD1-OH 3.34Å; L73-Y82 PolarHBondContact O-N 3.22Å; L73-I101 HydrophobicContact CD2-CD1 3.63Å; L73-I112 HydrophobicContact CD2-CG2 4.34Å; L73-I112 HydrophobicContact CG-CG2 4.3Å
74	A	98.9	Very high	98.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-69.5	-37.3	176	0	0	0	0	0	112.9	V40 F42 F70 V71 Y82 S196 G197	V40-A74 HydrophobicContact CB-CB 4.23Å; V40-A74 HydrophobicContact CG1-CB 3.45Å; V40-A74 VanDerWaalsContact CG1-CB 3.45Å; V40-A74 HydrophobicContact CG2-CB 3.66Å; F42-A74 HydrophobicContact CE1-CB 4.41Å; F70-A74 VanDerWaalsContact O-CB 3.29Å; F70-A74 WeakPolarHBondContact O-CB 3.19Å; F70-A74 PolarHBondContact O-N 2.95Å; V71-A74 PolarHBondContact O-N 2.91Å; A74-Y82 HydrophobicContact CB-CD2 4.04Å; A74-S196 CarbonylContact O-C 3.51Å; A74-S196 WeakPolarHBondContact O-CB 3.28Å; A74-S196 PolarHBondContact O-OG 3.38Å; A74-G197 WeakPolarHBondContact O-CA 3.5Å; A74-G197 PolarHBondContact O-N 3.46Å
75	T	98.8	Very high	98.6	Very high	56 Å²	56	46.6 Å²	46.6	34%	0.344	27%	0.265	S	S	.	.	H	α-helix	trans	-79.5	-24.8	178	56.1	0	0	0	0	112.9	V71 A72 E77 K198	V71-T75 HydrophobicContact CG1-CG2 4.41Å; V71-T75 WeakPolarHBondContact O-CG2 3.5Å; V71-T75 PolarHBondContact O-N 3.48Å; V71-T75 PolarHBondContact O-OG1 2.7Å; V71-T75 VanDerWaalsContact O-OG1 3.05Å; A72-T75 WeakPolarHBondContact CA-OG1 3.49Å; A72-T75 PolarHBondContact O-N 3.05Å; A72-T75 PolarHBondContact O-OG1 3.38Å; T75-E77 PolarHBondContact O-N 3.46Å; T75-K198 HydrophobicContact CG2-CB 3.76Å
76	G	98.6	Very high	98.6	Very high	27 Å²	27	43.8 Å²	43.8	28%	0.278	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	17.6	-175.2	0	0	0	0	0	113.3	A72 K78 G79 Y80	A72-G76 PolarHBondContact O-N 3.36Å; G76-K78 PolarHBondContact O-N 2.93Å; G76-G79 PolarHBondContact O-N 3.33Å; G76-Y80 WeakPolarHBondContact CA-O 3.33Å
77	E	98.3	Very high	98.6	Very high	126 Å²	126	43.9 Å²	43.9	59%	0.589	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.3	-174.6	64.7	172.2	-141	0	0	113.8	A72 T75	A72-E77 HydrophobicContact CB-CG 3.99Å; A72-E77 PolarHBondContact O-N 3.06Å; T75-E77 PolarHBondContact O-N 3.46Å
78	K	97.4	Very high	98.6	Very high	106 Å²	106	44 Å²	44	46%	0.461	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	3.1	174.7	-56	-53.8	-173.3	-167.6	0	113.7	G76 Y80 I112	G76-K78 PolarHBondContact O-N 2.93Å; K78-Y80 VanDerWaalsContact C-N 3.33Å; K78-Y80 HydrophobicContact CB-CD1 4.16Å; K78-Y80 HydrophobicContact CB-CE1 3.67Å; K78-Y80 HydrophobicContact CB-CE2 4.42Å; K78-Y80 WeakPolarHBondContact O-CD1 3.42Å; K78-I112 HydrophobicContact CG-CB 4.4Å; K78-I112 HydrophobicContact CG-CG2 3.88Å
79	G	98.1	Very high	98.6	Very high	76 Å²	76	43.4 Å²	43.4	78%	0.784	25%	0.246	S	C	*	.	S	Bend	trans	87.2	-2.7	-177	0	0	0	0	0	114.7	G76	G76-G79 PolarHBondContact O-N 3.33Å
80	Y	98.3	Very high	98.6	Very high	88 Å²	88	43.5 Å²	43.5	35%	0.345	25%	0.247	S	C	.	.			trans	-141	158	174.1	56.8	-92.7	0	0	0	109.4	L73 G76 K78 I101 V110 S111	L73-Y80 HydrophobicContact CD2-CD2 3.76Å; L73-Y80 HydrophobicContact CD2-CE2 3.62Å; G76-Y80 WeakPolarHBondContact CA-O 3.33Å; K78-Y80 VanDerWaalsContact C-N 3.33Å; K78-Y80 HydrophobicContact CB-CD1 4.16Å; K78-Y80 HydrophobicContact CB-CE1 3.67Å; K78-Y80 HydrophobicContact CB-CE2 4.42Å; K78-Y80 WeakPolarHBondContact O-CD1 3.42Å; Y80-I101 HydrophobicContact CD2-CD1 3.73Å; Y80-I101 HydrophobicContact CE2-CD1 4.36Å; Y80-V110 HydrophobicContact CD2-CG1 4.11Å; Y80-V110 HydrophobicContact CE2-CG1 3.88Å; Y80-S111 PolarHBondContact OH-O 2.73Å
81	G	98.6	Very high	98.6	Very high	15 Å²	15	45.3 Å²	45.3	16%	0.155	26%	0.256	C	S	.	.			trans	171.2	-167.4	-175.5	0	0	0	0	0	115	L73 K83 I101	L73-G81 CarbonylContact O-C 3.15Å; L73-G81 WeakPolarHBondContact O-CA 3.32Å; G81-K83 PolarHBondContact O-N 3.46Å; G81-I101 WeakPolarHBondContact O-CG2 3.26Å
82	Y	98.9	Very high	98.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-74.2	-23.6	-172.6	-65.2	-49.1	0	0	0	114.7	F42 F70 L73 A74 G84 S85 I101 S144 F146	F42-Y82 AromaticContact CE1-CD2 3.78Å; F42-Y82 HydrophobicContact CE1-CD2 3.78Å; F42-Y82 HydrophobicContact CE1-CG 4.18Å; F42-Y82 AromaticContact CZ-CD2 3.84Å; F42-Y82 HydrophobicContact CZ-CD2 3.84Å; F42-Y82 HydrophobicContact CZ-CE2 4.3Å; F42-Y82 HydrophobicContact CZ-CG 4.31Å; F70-Y82 AromaticContact CD2-CE2 3.63Å; F70-Y82 HydrophobicContact CD2-CE2 3.63Å; F70-Y82 AromaticContact CD2-CZ 3.74Å; F70-Y82 WeakPolarHBondContact CD2-OH 3.41Å; F70-Y82 AromaticContact CE2-CE2 3.59Å; F70-Y82 HydrophobicContact CE2-CE2 3.59Å; F70-Y82 AromaticContact CE2-CZ 3.72Å; F70-Y82 WeakPolarHBondContact CE2-OH 3.3Å; F70-Y82 HydrophobicContact CG-CE2 4.14Å; F70-Y82 HydrophobicContact CZ-CE2 4.11Å; L73-Y82 HydrophobicContact CB-CD2 3.88Å; L73-Y82 HydrophobicContact CB-CE1 4.3Å; L73-Y82 HydrophobicContact CB-CE2 3.47Å; L73-Y82 VanDerWaalsContact CB-CE2 3.47Å; L73-Y82 HydrophobicContact CB-CG 4.45Å; L73-Y82 HydrophobicContact CD1-CE1 4.28Å; L73-Y82 HydrophobicContact CD1-CE2 4.37Å; L73-Y82 WeakPolarHBondContact CD1-OH 3.34Å; L73-Y82 PolarHBondContact O-N 3.22Å; A74-Y82 HydrophobicContact CB-CD2 4.04Å; Y82-G84 PolarHBondContact O-N 3.02Å; Y82-S85 VanDerWaalsContact O-CB 3.32Å; Y82-S85 WeakPolarHBondContact O-CB 3.38Å; Y82-S85 PolarHBondContact O-N 3.29Å; Y82-S85 PolarHBondContact O-OG 2.88Å; Y82-I101 HydrophobicContact CD1-CG2 3.63Å; Y82-I101 HydrophobicContact CE1-CG2 4.03Å; Y82-S144 VanDerWaalsContact CE1-O 3.25Å; Y82-S144 WeakPolarHBondContact CE1-O 3.18Å; Y82-S144 PolarHBondContact OH-O 3.38Å; Y82-F146 HydrophobicContact CD1-CE1 4.14Å; Y82-F146 AromaticContact CE1-CD1 3.97Å; Y82-F146 HydrophobicContact CE1-CD1 3.97Å; Y82-F146 AromaticContact CE1-CE1 3.89Å; Y82-F146 HydrophobicContact CE1-CE1 3.89Å
83	K	98.8	Very high	98.6	Very high	138 Å²	138	55.3 Å²	55.3	60%	0.6	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	122.9	177	-178	175.9	180	176.7	0	110.4	G81 S85 V194 S196	G81-K83 PolarHBondContact O-N 3.46Å; K83-S85 VanDerWaalsContact C-N 3.35Å; K83-V194 WeakPolarHBondContact CE-O 3.42Å; K83-S196 PolarHBondContact N-OG 3.48Å
84	G	98.4	Very high	98.5	Very high	63 Å²	63	57.4 Å²	57.4	65%	0.649	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-13.2	-176.5	0	0	0	0	0	114.4	Y82 I193	Y82-G84 PolarHBondContact O-N 3.02Å; G84-I193 PolarHBondContact N-O 2.9Å
85	S	98.8	Very high	98.5	Very high	11 Å²	11	57.6 Å²	57.6	8%	0.077	31%	0.313	C	S	.	.			trans	-74.6	170.1	174.3	75.9	0	0	0	0	111.8	Y82 K83 S192 I193	Y82-S85 VanDerWaalsContact O-CB 3.32Å; Y82-S85 WeakPolarHBondContact O-CB 3.38Å; Y82-S85 PolarHBondContact O-N 3.29Å; Y82-S85 PolarHBondContact O-OG 2.88Å; K83-S85 VanDerWaalsContact C-N 3.35Å; S85-S192 WeakPolarHBondContact O-CA 3.28Å; S85-I193 PolarHBondContact O-N 2.83Å
86	K	98.6	Very high	98.6	Very high	72 Å²	72	54.9 Å²	54.9	31%	0.313	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-130.9	159.5	-177.5	65.4	-176.2	-179.9	-178.3	0	112.9	H88 G98 G104 C191	K86-H88 HydrophobicContact CG-CB 4.42Å; K86-H88 PolarHBondContact O-N 2.82Å; K86-G98 WeakPolarHBondContact O-CA 3.46Å; K86-G104 WeakPolarHBondContact CE-O 3.36Å; K86-C191 CarbonylContact C-O 3.57Å; K86-C191 VanDerWaalsContact CA-O 3.24Å; K86-C191 WeakPolarHBondContact CA-O 3.4Å; K86-C191 VanDerWaalsContact CB-O 3.31Å; K86-C191 WeakPolarHBondContact CB-O 3.44Å
87	F	98.9	Very high	98.6	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.009	29%	0.288	C	S	.	.			trans	-77.9	99	163.4	-62.2	-87.5	0	0	0	107.7	V44 I54 I96 Q97 F146 I176 C191 I193	V44-F87 HydrophobicContact CG2-CE2 4.3Å; I54-F87 HydrophobicContact CD1-CZ 4.41Å; F87-I96 HydrophobicContact CD1-CB 4.31Å; F87-I96 HydrophobicContact CD1-CD1 3.99Å; F87-I96 HydrophobicContact CD1-CG1 4.17Å; F87-I96 HydrophobicContact CE1-CD1 3.83Å; F87-I96 HydrophobicContact CE1-CG1 4.22Å; F87-I96 HydrophobicContact CZ-CD1 4.41Å; F87-Q97 CarbonylContact C-O 3.58Å; F87-Q97 WeakPolarHBondContact CA-O 3.5Å; F87-F146 HydrophobicContact CE1-CE2 4.08Å; F87-F146 HydrophobicContact CE1-CZ 4.08Å; F87-F146 HydrophobicContact CZ-CZ 4.44Å; F87-I176 HydrophobicContact CB-CG2 4.16Å; F87-I176 HydrophobicContact CD2-CD1 3.77Å; F87-I176 HydrophobicContact CE1-CD1 4.45Å; F87-I176 HydrophobicContact CE2-CD1 3.59Å; F87-I176 HydrophobicContact CG-CD1 4.29Å; F87-I176 HydrophobicContact CG-CG2 4.26Å; F87-I176 HydrophobicContact CZ-CD1 3.96Å; F87-C191 HydrophobicContact CB-CB 4.11Å; F87-C191 HydrophobicContact CD2-CB 4.14Å; F87-C191 WeakPolarHBondContact CD2-O 2.72Å; F87-C191 PolarHBondContact N-O 2.88Å; F87-I193 HydrophobicContact CE2-CD1 4.22Å; F87-I193 HydrophobicContact CE2-CG1 3.77Å; F87-I193 HydrophobicContact CZ-CD1 4.18Å; F87-I193 HydrophobicContact CZ-CG1 4.18Å
88	H	98.8	Very high	98.6	Very high	12 Å²	12	48.8 Å²	48.8	6%	0.056	26%	0.26	C	S	.	.			trans	-88.3	-13.6	-171.7	61.4	-94.6	0	0	0	112.8	K86 Q97 G104 G106 Q145 R186	K86-H88 HydrophobicContact CG-CB 4.42Å; K86-H88 PolarHBondContact O-N 2.82Å; H88-Q97 PolarHBondContact N-O 3.47Å; H88-Q97 VanDerWaalsContact N-O 3.08Å; H88-G104 VanDerWaalsContact CB-O 3.28Å; H88-G104 WeakPolarHBondContact CB-O 3.47Å; H88-G106 VanDerWaalsContact NE2-CA 3.34Å; H88-G106 WeakPolarHBondContact NE2-CA 3.49Å; H88-Q145 PolarHBondContact CE1-OE1 2.72Å; H88-Q145 VanDerWaalsContact CE1-OE1 3.32Å; H88-Q145 PolarHBondContact NE2-OE1 3.01Å; H88-R186 WeakPolarHBondContact O-CG 3.36Å
89	R	98.8	Very high	98.7	Very high	98 Å²	98	43.8 Å²	43.8	37%	0.37	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	126.7	179	-167.6	-170.6	-178.1	-165	3.4	110.7	M95 Q97 D185	R89-M95 HydrophobicContact CG-CE 3.99Å; R89-Q97 HydrophobicContact CB-CB 4.21Å; R89-Q97 PolarHBondContact N-O 2.9Å; R89-Q97 PolarHBondContact O-N 3.48Å; R89-D185 CarbonylContact C-O 3.51Å; R89-D185 WeakPolarHBondContact CA-O 3.34Å; R89-D185 HydrophobicContact CG-CB 3.79Å; R89-D185 IonicContact CZ-OD2 2.83Å; R89-D185 IonicContact NE-OD2 2.74Å; R89-D185 PolarHBondContact NE-OD2 3.36Å; R89-D185 IonicContact NH2-OD2 3.73Å; R89-D185 PolarHBondContact NH2-OD2 3.03Å
90	V	98.9	Very high	98.7	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	119.6	-176.7	170.8	0	0	0	0	108.5	I96 I176 T181 D185 P187	V90-I96 HydrophobicContact CB-CG2 4.49Å; V90-I96 HydrophobicContact CG1-CG2 4.04Å; V90-I96 HydrophobicContact CG2-CB 4.28Å; V90-I96 HydrophobicContact CG2-CG2 4.04Å; V90-I176 HydrophobicContact CG2-CG2 3.78Å; V90-T181 HydrophobicContact CB-CG2 4.11Å; V90-T181 HydrophobicContact CG1-CG2 4.39Å; V90-D185 PolarHBondContact N-O 3.18Å; V90-P187 HydrophobicContact CB-CG 3.97Å; V90-P187 HydrophobicContact CG2-CG 3.47Å; V90-P187 VanDerWaalsContact CG2-CG 3.47Å
91	I	98.7	Very high	98.7	Very high	38 Å²	38	37.6 Å²	37.6	20%	0.195	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.1	175.6	-58	173.1	0	0	0	107.4	F94 M95 D185	I91-F94 HydrophobicContact CB-CB 4.06Å; I91-F94 HydrophobicContact CB-CD1 4Å; I91-F94 HydrophobicContact CD1-CD1 3.82Å; I91-F94 HydrophobicContact CD1-CE1 4.22Å; I91-F94 HydrophobicContact CG1-CD1 4.49Å; I91-F94 HydrophobicContact CG2-CB 3.77Å; I91-F94 HydrophobicContact CG2-CD1 4.02Å; I91-F94 HydrophobicContact CG2-CG 4.43Å; I91-F94 PolarHBondContact O-N 3.36Å; I91-M95 HydrophobicContact CB-CE 4.04Å; I91-M95 HydrophobicContact CD1-CE 3.65Å; I91-M95 HydrophobicContact CG1-CE 3.65Å; I91-M95 PolarHBondContact N-O 2.92Å; I91-M95 PolarHBondContact O-N 2.91Å; I91-D185 WeakPolarHBondContact CD1-OD2 3.14Å; I91-D185 HydrophobicContact CG1-CB 3.83Å
92	K	98.4	Very high	98.7	Very high	121 Å²	121	41.3 Å²	41.3	53%	0.526	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	140.4	177.8	-178.8	172.5	176.3	161.2	0	111.2	F94 E177	K92-F94 PolarHBondContact O-N 3.4Å; K92-F94 VanDerWaalsContact O-N 3.11Å; K92-E177 HydrophobicContact CB-CG 4.39Å; K92-E177 HydrophobicContact CG-CG 4.19Å
93	D	98	Very high	98.6	Very high	109 Å²	109	43.9 Å²	43.9	58%	0.583	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	13.1	-177	-53.6	-51.5	0	0	0	114.3	T151 E177	D93-T151 VanDerWaalsContact O-CB 3.32Å; D93-T151 WeakPolarHBondContact O-CB 3.23Å; D93-T151 WeakPolarHBondContact O-CG2 3.44Å; D93-E177 PolarHBondContact N-OE1 3.32Å
94	F	98.7	Very high	98.6	Very high	44 Å²	44	37.8 Å²	37.8	19%	0.193	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-71	176.2	177.3	-147.1	0	0	0	113.2	I91 K92 L150 T151 P153 W155 L156	I91-F94 HydrophobicContact CB-CB 4.06Å; I91-F94 HydrophobicContact CB-CD1 4Å; I91-F94 HydrophobicContact CD1-CD1 3.82Å; I91-F94 HydrophobicContact CD1-CE1 4.22Å; I91-F94 HydrophobicContact CG1-CD1 4.49Å; I91-F94 HydrophobicContact CG2-CB 3.77Å; I91-F94 HydrophobicContact CG2-CD1 4.02Å; I91-F94 HydrophobicContact CG2-CG 4.43Å; I91-F94 PolarHBondContact O-N 3.36Å; K92-F94 PolarHBondContact O-N 3.4Å; K92-F94 VanDerWaalsContact O-N 3.11Å; F94-L150 PolarHBondContact O-N 3.18Å; F94-T151 HydrophobicContact CD2-CG2 4.15Å; F94-P153 HydrophobicContact CD2-CB 4.24Å; F94-P153 HydrophobicContact CE2-CB 3.75Å; F94-P153 HydrophobicContact CE2-CG 4.29Å; F94-W155 AromaticContact CD2-CZ2 3.99Å; F94-W155 HydrophobicContact CD2-CZ2 3.99Å; F94-W155 AromaticContact CE2-CZ2 3.77Å; F94-W155 HydrophobicContact CE2-CZ2 3.77Å; F94-W155 HydrophobicContact CZ-CZ2 4.46Å; F94-L156 HydrophobicContact CE2-CD1 3.92Å; F94-L156 HydrophobicContact CZ-CD1 4Å
95	M	98.8	Very high	98.6	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.02	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	159.6	-176.2	64.6	84.2	-138.5	0	0	113.4	R89 I91 Q97 F147 I148	R89-M95 HydrophobicContact CG-CE 3.99Å; I91-M95 HydrophobicContact CB-CE 4.04Å; I91-M95 HydrophobicContact CD1-CE 3.65Å; I91-M95 HydrophobicContact CG1-CE 3.65Å; I91-M95 PolarHBondContact N-O 2.92Å; I91-M95 PolarHBondContact O-N 2.91Å; M95-Q97 HydrophobicContact CE-CB 4.18Å; M95-Q97 HydrophobicContact SD-CB 3.53Å; M95-Q97 VanDerWaalsContact SD-CB 3.53Å; M95-F147 HydrophobicContact CB-CB 4.36Å; M95-F147 HydrophobicContact CB-CD2 4.18Å; M95-F147 HydrophobicContact CG-CB 4.48Å; M95-F147 HydrophobicContact SD-CB 3.98Å; M95-I148 VanDerWaalsContact CA-O 3.23Å; M95-I148 WeakPolarHBondContact CA-O 3.4Å; M95-I148 WeakPolarHBondContact CB-O 3.44Å
96	I	98.9	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.8	162.1	65.5	172.8	0	0	0	109.4	F87 V90 F147 I148 L150 V173 I176 E177	F87-I96 HydrophobicContact CD1-CB 4.31Å; F87-I96 HydrophobicContact CD1-CD1 3.99Å; F87-I96 HydrophobicContact CD1-CG1 4.17Å; F87-I96 HydrophobicContact CE1-CD1 3.83Å; F87-I96 HydrophobicContact CE1-CG1 4.22Å; F87-I96 HydrophobicContact CZ-CD1 4.41Å; V90-I96 HydrophobicContact CB-CG2 4.49Å; V90-I96 HydrophobicContact CG1-CG2 4.04Å; V90-I96 HydrophobicContact CG2-CB 4.28Å; V90-I96 HydrophobicContact CG2-CG2 4.04Å; I96-F147 CarbonylContact O-C 3.58Å; I96-F147 WeakPolarHBondContact O-CA 3.36Å; I96-F147 WeakPolarHBondContact O-CB 3.29Å; I96-I148 HydrophobicContact CD1-CB 4.49Å; I96-I148 HydrophobicContact CD1-CD1 4.28Å; I96-I148 HydrophobicContact CG1-CB 3.88Å; I96-I148 HydrophobicContact CG1-CD1 4.45Å; I96-I148 HydrophobicContact CG1-CG1 4.4Å; I96-I148 PolarHBondContact N-O 2.84Å; I96-I148 PolarHBondContact O-N 2.82Å; I96-L150 HydrophobicContact CG2-CD1 3.98Å; I96-V173 HydrophobicContact CD1-CB 4.32Å; I96-V173 HydrophobicContact CD1-CG1 3.76Å; I96-V173 HydrophobicContact CD1-CG2 4.44Å; I96-V173 HydrophobicContact CG1-CG1 4.29Å; I96-I176 HydrophobicContact CB-CG2 4.27Å; I96-I176 HydrophobicContact CD1-CB 4.09Å; I96-I176 HydrophobicContact CD1-CD1 3.63Å; I96-I176 HydrophobicContact CD1-CG1 4.5Å; I96-I176 HydrophobicContact CD1-CG2 4.06Å; I96-I176 HydrophobicContact CG2-CB 4.41Å; I96-I176 HydrophobicContact CG2-CG2 3.93Å; I96-E177 HydrophobicContact CG2-CB 4.47Å
97	Q	98.9	Very high	98.5	Very high	25 Å²	25	41.9 Å²	41.9	12%	0.117	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.6	-177	172.3	178.3	-3.2	0	0	110.8	F87 H88 R89 M95 F146 F147	F87-Q97 CarbonylContact C-O 3.58Å; F87-Q97 WeakPolarHBondContact CA-O 3.5Å; H88-Q97 PolarHBondContact N-O 3.47Å; H88-Q97 VanDerWaalsContact N-O 3.08Å; R89-Q97 HydrophobicContact CB-CB 4.21Å; R89-Q97 PolarHBondContact N-O 2.9Å; R89-Q97 PolarHBondContact O-N 3.48Å; M95-Q97 HydrophobicContact CE-CB 4.18Å; M95-Q97 HydrophobicContact SD-CB 3.53Å; M95-Q97 VanDerWaalsContact SD-CB 3.53Å; Q97-F146 WeakPolarHBondContact CA-O 3.04Å; Q97-F147 HydrophobicContact CB-CB 4.07Å
98	G	98.9	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	-162.5	179.7	0	0	0	0	0	111.3	K86 D100 Q145 F146	K86-G98 WeakPolarHBondContact O-CA 3.46Å; G98-D100 VanDerWaalsContact C-N 3.34Å; G98-D100 PolarHBondContact O-N 3.05Å; G98-Q145 VanDerWaalsContact O-CA 3.31Å; G98-Q145 WeakPolarHBondContact O-CA 3.27Å; G98-F146 PolarHBondContact N-O 3.26Å; G98-F146 PolarHBondContact O-N 2.84Å
99	G	98.6	Very high	98.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.247	C	C	.	.			trans	79.6	13.1	176.1	0	0	0	0	0	114.9	I101 S144 Q145	G99-I101 PolarHBondContact O-N 2.96Å; G99-S144 CarbonylContact O-C 3.56Å; G99-S144 VanDerWaalsContact O-C 3.23Å; G99-S144 WeakPolarHBondContact O-CB 3.45Å; G99-S144 PolarHBondContact O-OG 2.97Å; G99-Q145 PolarHBondContact O-N 3.48Å
100	D	98.7	Very high	98.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-76.1	99.5	158.4	-178.3	-11.4	0	0	0	107.1	G98 T102 A103 G104 D105 G106 T107 G108 G109 Q145	G98-D100 VanDerWaalsContact C-N 3.34Å; G98-D100 PolarHBondContact O-N 3.05Å; D100-T102 PolarHBondContact OD1-N 2.9Å; D100-T102 VanDerWaalsContact OD1-N 3.15Å; D100-A103 PolarHBondContact OD1-N 2.97Å; D100-G104 PolarHBondContact OD1-N 3.43Å; D100-G104 VanDerWaalsContact OD1-N 3.08Å; D100-G104 PolarHBondContact OD2-N 3.08Å; D100-D105 PolarHBondContact OD2-N 3.09Å; D100-G106 WeakPolarHBondContact OD2-CA 3.41Å; D100-G106 PolarHBondContact OD2-N 2.93Å; D100-T107 PolarHBondContact OD2-N 2.67Å; D100-G108 VanDerWaalsContact OD1-C 3.24Å; D100-G108 VanDerWaalsContact OD1-CA 3.29Å; D100-G108 WeakPolarHBondContact OD1-CA 3.19Å; D100-G108 PolarHBondContact OD2-N 2.93Å; D100-G109 PolarHBondContact OD1-N 3.31Å; D100-Q145 HydrophobicContact CB-CG 4.04Å
101	I	98.6	Very high	98.3	Very high	34 Å²	34	40 Å²	40	17%	0.174	24%	0.239	C	C	.	.			trans	-93.1	-0.3	-173.6	66	-176.9	0	0	0	112.8	L73 Y80 G81 Y82 G99 V110	L73-I101 HydrophobicContact CD2-CD1 3.63Å; Y80-I101 HydrophobicContact CD2-CD1 3.73Å; Y80-I101 HydrophobicContact CE2-CD1 4.36Å; G81-I101 WeakPolarHBondContact O-CG2 3.26Å; Y82-I101 HydrophobicContact CD1-CG2 3.63Å; Y82-I101 HydrophobicContact CE1-CG2 4.03Å; G99-I101 PolarHBondContact O-N 2.96Å; I101-V110 HydrophobicContact CD1-CG1 3.98Å; I101-V110 HydrophobicContact CG1-CG1 4.34Å
102	T	98.2	Very high	98.3	Very high	93 Å²	93	39.6 Å²	39.6	57%	0.571	24%	0.237	S	C	*	.	S	Bend	trans	-115.5	-53.4	-178.2	61.3	0	0	0	0	112.4	D100 G108 G109 V110	D100-T102 PolarHBondContact OD1-N 2.9Å; D100-T102 VanDerWaalsContact OD1-N 3.15Å; T102-G108 VanDerWaalsContact OG1-CA 3.28Å; T102-G108 WeakPolarHBondContact OG1-CA 3.33Å; T102-G109 PolarHBondContact OG1-N 2.79Å; T102-V110 HydrophobicContact CG2-CG1 4.22Å
103	A	97.9	Very high	98.3	Very high	53 Å²	53	38.3 Å²	38.3	44%	0.438	23%	0.23	S	C	.	.	S	Bend	trans	-99.6	-30.5	-179.2	0	0	0	0	0	112.2	D100 D105 T107	D100-A103 PolarHBondContact OD1-N 2.97Å; A103-D105 WeakPolarHBondContact CB-OD1 3.35Å; A103-D105 PolarHBondContact O-N 2.96Å; A103-T107 WeakPolarHBondContact CB-OG1 3.49Å
104	G	98	Very high	98.3	Very high	11 Å²	11	34.8 Å²	34.8	11%	0.113	22%	0.219	C	C	.	.	S	Bend	trans	69.6	16	-178.4	0	0	0	0	0	114.2	K86 H88 D100	K86-G104 WeakPolarHBondContact CE-O 3.36Å; H88-G104 VanDerWaalsContact CB-O 3.28Å; H88-G104 WeakPolarHBondContact CB-O 3.47Å; D100-G104 PolarHBondContact OD1-N 3.43Å; D100-G104 VanDerWaalsContact OD1-N 3.08Å; D100-G104 PolarHBondContact OD2-N 3.08Å
105	D	97.8	Very high	98.2	Very high	86 Å²	86	40.6 Å²	40.6	46%	0.46	25%	0.247	S	C	.	.	S	Bend	trans	-124.4	0.8	-177.6	65.1	7.8	0	0	0	113.7	D100 A103 T107	D100-D105 PolarHBondContact OD2-N 3.09Å; A103-D105 WeakPolarHBondContact CB-OD1 3.35Å; A103-D105 PolarHBondContact O-N 2.96Å; D105-T107 WeakPolarHBondContact OD1-CB 3.28Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.44Å; D105-T107 PolarHBondContact OD1-N 2.92Å; D105-T107 PolarHBondContact OD1-OG1 3.44Å
106	G	97.7	Very high	98.1	Very high	27 Å²	27	44 Å²	44	28%	0.278	27%	0.268	S	S	.	.	S	Bend	trans	99.4	-8	-179.2	0	0	0	0	0	113.5	H88 D100 Q145	H88-G106 VanDerWaalsContact NE2-CA 3.34Å; H88-G106 WeakPolarHBondContact NE2-CA 3.49Å; D100-G106 WeakPolarHBondContact OD2-CA 3.41Å; D100-G106 PolarHBondContact OD2-N 2.93Å; G106-Q145 VanDerWaalsContact C-NE2 3.35Å; G106-Q145 PolarHBondContact O-NE2 2.8Å
107	T	97.6	Very high	98.1	Very high	119 Å²	119	44.5 Å²	44.5	73%	0.73	27%	0.27	S	S	*	.	S	Bend	trans	-86.2	-15.1	177.6	66.4	0	0	0	0	113.4	D100 A103 D105	D100-T107 PolarHBondContact OD2-N 2.67Å; A103-T107 WeakPolarHBondContact CB-OG1 3.49Å; D105-T107 WeakPolarHBondContact OD1-CB 3.28Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.44Å; D105-T107 PolarHBondContact OD1-N 2.92Å; D105-T107 PolarHBondContact OD1-OG1 3.44Å
108	G	97.3	Very high	98.1	Very high	19 Å²	19	47.4 Å²	47.4	20%	0.196	29%	0.291	C	S	.	.			trans	-110.6	-156.7	-174.5	0	0	0	0	0	114.9	D100 T102 Q145	D100-G108 VanDerWaalsContact OD1-C 3.24Å; D100-G108 VanDerWaalsContact OD1-CA 3.29Å; D100-G108 WeakPolarHBondContact OD1-CA 3.19Å; D100-G108 PolarHBondContact OD2-N 2.93Å; T102-G108 VanDerWaalsContact OG1-CA 3.28Å; T102-G108 WeakPolarHBondContact OG1-CA 3.33Å; G108-Q145 PolarHBondContact O-NE2 3.03Å
109	G	97.7	Very high	98.1	Very high	20 Å²	20	48.7 Å²	48.7	21%	0.206	30%	0.298	C	S	.	.			trans	103.2	155	-173.4	0	0	0	0	0	113.3	D100 T102 S144	D100-G109 PolarHBondContact OD1-N 3.31Å; T102-G109 PolarHBondContact OG1-N 2.79Å; G109-S144 WeakPolarHBondContact CA-OG 3.46Å
110	V	98.4	Very high	98.1	Very high	35 Å²	35	51 Å²	51	21%	0.212	31%	0.308	C	S	.	.			trans	-155.3	141	-179.4	61.7	0	0	0	0	109	Y80 I101 T102 G114 S144	Y80-V110 HydrophobicContact CD2-CG1 4.11Å; Y80-V110 HydrophobicContact CE2-CG1 3.88Å; I101-V110 HydrophobicContact CD1-CG1 3.98Å; I101-V110 HydrophobicContact CG1-CG1 4.34Å; T102-V110 HydrophobicContact CG2-CG1 4.22Å; V110-G114 WeakPolarHBondContact CG2-O 3.36Å; V110-S144 PolarHBondContact N-OG 3.17Å; V110-S144 VanDerWaalsContact N-OG 3.16Å; V110-S144 VanDerWaalsContact O-CB 3.29Å; V110-S144 WeakPolarHBondContact O-CB 3.26Å
111	S	98.7	Very high	98.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-88.9	167.9	174.6	80.1	0	0	0	0	111.4	N69 Y80 Y113 G114 F117	N69-S111 WeakPolarHBondContact OD1-CA 3.41Å; N69-S111 WeakPolarHBondContact OD1-CB 3.49Å; Y80-S111 PolarHBondContact OH-O 2.73Å; S111-Y113 PolarHBondContact O-N 3.45Å; S111-Y113 VanDerWaalsContact O-N 3.14Å; S111-Y113 PolarHBondContact OG-N 3.01Å; S111-G114 CarbonylContact C-O 3.23Å; S111-G114 WeakPolarHBondContact CA-O 3.42Å; S111-G114 WeakPolarHBondContact CB-O 3.39Å; S111-G114 PolarHBondContact N-O 3.2Å; S111-G114 PolarHBondContact O-N 3.19Å; S111-G114 VanDerWaalsContact O-O 3.11Å; S111-G114 PolarHBondContact OG-N 3.35Å; S111-G114 PolarHBondContact OG-O 2.94Å; S111-F117 VanDerWaalsContact CB-CD1 3.48Å
112	I	98.7	Very high	98.1	Very high	31 Å²	31	54.7 Å²	54.7	16%	0.159	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.5	170.9	68.8	170.3	0	0	0	113.8	E68 N69 A72 L73 K78	E68-I112 HydrophobicContact CG-CD1 3.95Å; N69-I112 HydrophobicContact CB-CD1 4.46Å; N69-I112 HydrophobicContact CB-CG1 4.18Å; N69-I112 PolarHBondContact OD1-N 2.88Å; A72-I112 HydrophobicContact CB-CD1 4.03Å; A72-I112 HydrophobicContact CB-CG2 3.66Å; L73-I112 HydrophobicContact CD2-CG2 4.34Å; L73-I112 HydrophobicContact CG-CG2 4.3Å; K78-I112 HydrophobicContact CG-CB 4.4Å; K78-I112 HydrophobicContact CG-CG2 3.88Å
113	Y	98.6	Very high	98.1	Very high	94 Å²	94	57.1 Å²	57.1	37%	0.369	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-1.7	-178	-49.1	-60.9	0	0	0	113	K65 E68 N69 S111 F117	K65-Y113 WeakPolarHBondContact CA-OH 3.31Å; K65-Y113 HydrophobicContact CB-CE2 4.34Å; K65-Y113 PolarHBondContact O-OH 2.96Å; E68-Y113 PolarHBondContact OE2-OH 3.18Å; N69-Y113 HydrophobicContact CB-CE2 3.86Å; S111-Y113 PolarHBondContact O-N 3.45Å; S111-Y113 VanDerWaalsContact O-N 3.14Å; S111-Y113 PolarHBondContact OG-N 3.01Å; Y113-F117 HydrophobicContact CD2-CB 3.98Å; Y113-F117 HydrophobicContact CD2-CD1 4.06Å; Y113-F117 HydrophobicContact CD2-CD2 4.39Å; Y113-F117 AromaticContact CD2-CG 3.89Å; Y113-F117 HydrophobicContact CD2-CG 3.89Å; Y113-F117 HydrophobicContact CE2-CG 4.47Å
114	G	97.7	Very high	98.1	Very high	34 Å²	34	54.8 Å²	54.8	35%	0.351	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	128.9	-170.9	-171.1	0	0	0	0	0	111.9	V110 S111 T116	V110-G114 WeakPolarHBondContact CG2-O 3.36Å; S111-G114 CarbonylContact C-O 3.23Å; S111-G114 WeakPolarHBondContact CA-O 3.42Å; S111-G114 WeakPolarHBondContact CB-O 3.39Å; S111-G114 PolarHBondContact N-O 3.2Å; S111-G114 PolarHBondContact O-N 3.19Å; S111-G114 VanDerWaalsContact O-O 3.11Å; S111-G114 PolarHBondContact OG-N 3.35Å; S111-G114 PolarHBondContact OG-O 2.94Å; G114-T116 VanDerWaalsContact C-N 3.29Å; G114-T116 PolarHBondContact O-N 3.07Å
115	E	96.4	Very high	98.1	Very high	167 Å²	167	59.5 Å²	59.5	78%	0.78	33%	0.325	S	S	*	.	S	Bend	trans	-52.3	-47.5	179.5	-67.8	-175.4	168.5	0	0	111.9
116	T	98	Very high	98.1	Very high	75 Å²	75	55.5 Å²	55.5	46%	0.46	30%	0.304	S	S	.	.			trans	-137	164	176.4	63	0	0	0	0	112.8	G114 N142	G114-T116 VanDerWaalsContact C-N 3.29Å; G114-T116 PolarHBondContact O-N 3.07Å; T116-N142 CarbonylContact C-O 3.55Å; T116-N142 WeakPolarHBondContact CA-O 3.44Å
117	F	98.8	Very high	98	Very high	11 Å²	11	56.2 Å²	56.2	5%	0.048	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-138.2	155.2	168.8	70.2	-82	0	0	0	112.6	T66 N69 S111 Y113 M134 D140 N142	T66-F117 HydrophobicContact CG2-CZ 4.34Å; N69-F117 HydrophobicContact CB-CE1 4.46Å; N69-F117 HydrophobicContact CB-CZ 4.5Å; S111-F117 VanDerWaalsContact CB-CD1 3.48Å; Y113-F117 HydrophobicContact CD2-CB 3.98Å; Y113-F117 HydrophobicContact CD2-CD1 4.06Å; Y113-F117 HydrophobicContact CD2-CD2 4.39Å; Y113-F117 AromaticContact CD2-CG 3.89Å; Y113-F117 HydrophobicContact CD2-CG 3.89Å; Y113-F117 HydrophobicContact CE2-CG 4.47Å; F117-M134 HydrophobicContact CE1-CE 4.14Å; F117-M134 HydrophobicContact CZ-CE 4.12Å; F117-D140 CarbonylContact O-C 3.53Å; F117-N142 HydrophobicContact CD1-CB 3.8Å; F117-N142 WeakPolarHBondContact CD1-O 3.23Å; F117-N142 HydrophobicContact CD2-CB 4.15Å; F117-N142 HydrophobicContact CE1-CB 3.46Å; F117-N142 VanDerWaalsContact CE1-CB 3.46Å; F117-N142 WeakPolarHBondContact CE1-O 3.44Å; F117-N142 HydrophobicContact CE2-CB 3.84Å; F117-N142 HydrophobicContact CG-CB 4.14Å; F117-N142 HydrophobicContact CZ-CB 3.48Å; F117-N142 VanDerWaalsContact CZ-CB 3.48Å; F117-N142 PolarHBondContact N-O 2.82Å; F117-N142 WeakPolarHBondContact O-CB 3.33Å; F117-N142 PolarHBondContact O-N 3.14Å; F117-N142 VanDerWaalsContact O-N 3.13Å; F117-N142 PolarHBondContact O-ND2 3.02Å; F117-N142 VanDerWaalsContact O-ND2 3.15Å
118	P	98.8	Very high	98	Very high	86 Å²	86	51.1 Å²	51.1	56%	0.558	27%	0.27	S	S	*	.			trans	-62.7	158.7	-177.1	-25.4	36.1	0	0	0	115.1	E120 D140 N142	P118-E120 PolarHBondContact O-N 3.23Å; P118-D140 VanDerWaalsContact CA-OD1 3.32Å; P118-D140 WeakPolarHBondContact CA-OD1 3.03Å; P118-D140 HydrophobicContact CB-CB 4.24Å; P118-D140 WeakPolarHBondContact CB-OD1 3.37Å; P118-N142 PolarHBondContact O-ND2 3.24Å
119	D	98.8	Very high	98	Very high	26 Å²	26	54.5 Å²	54.5	14%	0.139	28%	0.282	C	S	.	.			trans	-65.3	112.8	171.8	-67.4	-47.4	0	0	0	110	F122 D140 N142 V161	D119-F122 HydrophobicContact CB-CE1 4.15Å; D119-F122 HydrophobicContact CB-CE2 4.15Å; D119-F122 HydrophobicContact CB-CZ 3.55Å; D119-D140 PolarHBondContact N-OD1 3Å; D119-D140 PolarHBondContact OD2-N 3.44Å; D119-N142 WeakPolarHBondContact CA-ND2 3.42Å; D119-N142 PolarHBondContact N-ND2 3.3Å; D119-N142 PolarHBondContact OD1-ND2 3.43Å; D119-V161 HydrophobicContact CB-CG2 3.9Å
120	E	98.8	Very high	98.1	Very high	48 Å²	48	53.7 Å²	53.7	22%	0.224	27%	0.274	C	S	.	.			trans	-68	-42.4	-171.2	-175.1	170.4	-166.9	0	0	113.2	V63 P64 K65 T66 P118	V63-E120 VanDerWaalsContact C-CD 3.45Å; V63-E120 VanDerWaalsContact CA-CD 3.43Å; V63-E120 WeakPolarHBondContact CA-OE2 3.47Å; V63-E120 HydrophobicContact CB-CG 4.48Å; V63-E120 VanDerWaalsContact CB-OE2 3.27Å; V63-E120 WeakPolarHBondContact CB-OE2 3.28Å; V63-E120 HydrophobicContact CG1-CB 4.33Å; V63-E120 HydrophobicContact CG1-CG 4.32Å; P64-E120 WeakPolarHBondContact CD-OE1 3.27Å; P64-E120 VanDerWaalsContact CG-OE1 3.27Å; P64-E120 WeakPolarHBondContact CG-OE1 3.02Å; P64-E120 VanDerWaalsContact N-OE1 3.09Å; K65-E120 PolarHBondContact N-OE1 2.6Å; K65-E120 PolarHBondContact N-OE2 2.8Å; T66-E120 WeakPolarHBondContact CB-OE2 3.21Å; T66-E120 PolarHBondContact N-OE2 2.93Å; T66-E120 PolarHBondContact OG1-OE2 3.04Å; P118-E120 PolarHBondContact O-N 3.23Å
121	N	98.6	Very high	98.1	Very high	35 Å²	35	52.3 Å²	52.3	19%	0.187	27%	0.265	C	S	.	.			trans	-177.9	169.5	165	57.9	88.1	0	0	0	110.6	V62 V63 K123	V62-N121 PolarHBondContact O-ND2 2.81Å; V63-N121 WeakPolarHBondContact CG1-ND2 3.26Å; N121-K123 HydrophobicContact CB-CG 4.38Å; N121-K123 WeakPolarHBondContact OD1-CB 3.35Å; N121-K123 WeakPolarHBondContact OD1-CG 3.42Å; N121-K123 PolarHBondContact OD1-N 2.92Å
122	F	98.3	Very high	98.1	Very high	78 Å²	78	52.3 Å²	52.3	34%	0.342	27%	0.265	S	S	.	.			trans	-116.1	35.7	176.3	-53.6	-68.8	0	0	0	113	D119 L124 G158 V161	D119-F122 HydrophobicContact CB-CE1 4.15Å; D119-F122 HydrophobicContact CB-CE2 4.15Å; D119-F122 HydrophobicContact CB-CZ 3.55Å; F122-L124 VanDerWaalsContact C-N 3.27Å; F122-L124 PolarHBondContact O-N 3.36Å; F122-G158 WeakPolarHBondContact CE2-O 3.24Å; F122-G158 WeakPolarHBondContact CZ-O 3.5Å; F122-V161 HydrophobicContact CE1-CG2 4.07Å
123	K	97.4	Very high	98.1	Very high	145 Å²	145	50.8 Å²	50.8	63%	0.63	26%	0.257	S	S	*	.			trans	-65.6	-33.6	178.3	-69.5	175	180	173.1	0	112.1	V62 N121	V62-K123 HydrophobicContact CG1-CB 4.02Å; V62-K123 HydrophobicContact CG1-CD 4.16Å; N121-K123 HydrophobicContact CB-CG 4.38Å; N121-K123 WeakPolarHBondContact OD1-CB 3.35Å; N121-K123 WeakPolarHBondContact OD1-CG 3.42Å; N121-K123 PolarHBondContact OD1-N 2.92Å
124	L	97.6	Very high	98.1	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	24%	0.239	C	C	.	.	S	Bend	trans	-91.1	144.6	176.3	-70.8	155.7	0	0	0	110	P34 F59 V62 F122 Y127 W131 V162 W212	P34-L124 HydrophobicContact CB-CD2 3.81Å; P34-L124 HydrophobicContact CG-CD2 3.65Å; F59-L124 HydrophobicContact CB-CD1 4.13Å; F59-L124 HydrophobicContact CD2-CD1 3.57Å; F59-L124 HydrophobicContact CD2-CD2 4.2Å; F59-L124 HydrophobicContact CE2-CD1 4.37Å; F59-L124 HydrophobicContact CE2-CD2 4.37Å; F59-L124 HydrophobicContact CG-CD1 4.21Å; V62-L124 HydrophobicContact CB-CD1 3.97Å; V62-L124 HydrophobicContact CG1-CD1 3.68Å; V62-L124 HydrophobicContact CG1-CG 4.01Å; V62-L124 HydrophobicContact CG2-CD1 4.4Å; F122-L124 VanDerWaalsContact C-N 3.27Å; F122-L124 PolarHBondContact O-N 3.36Å; L124-Y127 HydrophobicContact CD2-CE2 4.28Å; L124-W131 HydrophobicContact CD2-CH2 4.42Å; L124-W131 HydrophobicContact CD2-CZ3 3.93Å; L124-V162 HydrophobicContact CB-CB 3.69Å; L124-V162 HydrophobicContact CB-CG1 3.89Å; L124-V162 WeakPolarHBondContact CD1-O 3.37Å; L124-W212 HydrophobicContact CD2-CE3 4.33Å; L124-W212 HydrophobicContact CD2-CH2 3.36Å; L124-W212 HydrophobicContact CD2-CZ3 3.22Å; L124-W212 HydrophobicContact CG-CH2 3.86Å; L124-W212 HydrophobicContact CG-CZ3 3.98Å
125	K	97.8	Very high	98.2	Very high	110 Å²	110	45.1 Å²	45.1	48%	0.478	23%	0.226	S	C	.	.			trans	-114	169.8	175.5	-64.8	-178.5	-177.2	178.7	0	111	Y127 D157	K125-Y127 VanDerWaalsContact C-N 3.32Å; K125-Y127 HydrophobicContact CB-CD1 4.33Å; K125-Y127 HydrophobicContact CB-CD2 4.37Å; K125-Y127 HydrophobicContact CB-CE1 3.97Å; K125-Y127 HydrophobicContact CB-CE2 4.02Å; K125-Y127 VanDerWaalsContact N-CE2 3.29Å; K125-Y127 WeakPolarHBondContact O-CD2 3.42Å; K125-Y127 WeakPolarHBondContact O-CE2 3.41Å; K125-Y127 PolarHBondContact O-N 3.46Å; K125-D157 WeakPolarHBondContact CA-OD1 3.31Å; K125-D157 HydrophobicContact CG-CB 4.35Å
126	H	98	Very high	98.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.199	C	C	.	.			trans	-82	80.1	173.6	-55.9	82.6	0	0	0	109.1	G128 S133 F147 K152 P153 L156 D157 V162	H126-G128 PolarHBondContact O-N 2.79Å; H126-S133 WeakPolarHBondContact NE2-CB 3.42Å; H126-S133 PolarHBondContact NE2-OG 2.98Å; H126-F147 AromaticContact CD2-CE2 3.86Å; H126-F147 AromaticContact NE2-CE2 3.81Å; H126-F147 AromaticContact NE2-CZ 3.49Å; H126-F147 WeakPolarHBondContact NE2-CZ 3.09Å; H126-K152 VanDerWaalsContact O-CG 3.25Å; H126-K152 WeakPolarHBondContact O-CG 3.49Å; H126-P153 HydrophobicContact CB-CG 3.82Å; H126-L156 PolarHBondContact CE1-O 2.98Å; H126-D157 IonicContact CE1-OD1 3.94Å; H126-D157 IonicContact CG-OD1 3.46Å; H126-D157 PolarHBondContact N-OD1 3.05Å; H126-D157 IonicContact ND1-OD1 3.48Å; H126-D157 PolarHBondContact ND1-OD1 2.9Å; H126-V162 WeakPolarHBondContact NE2-CG2 3.2Å
127	Y	96.9	Very high	98.2	Very high	42 Å²	42	40.2 Å²	40.2	17%	0.165	22%	0.217	C	C	.	.			trans	-72.6	-8.3	-170.2	-57	-87.6	0	0	0	115	L124 K125 W131 V209 W212	L124-Y127 HydrophobicContact CD2-CE2 4.28Å; K125-Y127 VanDerWaalsContact C-N 3.32Å; K125-Y127 HydrophobicContact CB-CD1 4.33Å; K125-Y127 HydrophobicContact CB-CD2 4.37Å; K125-Y127 HydrophobicContact CB-CE1 3.97Å; K125-Y127 HydrophobicContact CB-CE2 4.02Å; K125-Y127 VanDerWaalsContact N-CE2 3.29Å; K125-Y127 WeakPolarHBondContact O-CD2 3.42Å; K125-Y127 WeakPolarHBondContact O-CE2 3.41Å; K125-Y127 PolarHBondContact O-N 3.46Å; Y127-W131 HydrophobicContact CD2-CD2 4.04Å; Y127-W131 AromaticContact CD2-CE2 3.67Å; Y127-W131 HydrophobicContact CD2-CE3 4.01Å; Y127-W131 AromaticContact CD2-CH2 3.22Å; Y127-W131 HydrophobicContact CD2-CH2 3.22Å; Y127-W131 AromaticContact CD2-CZ2 3.26Å; Y127-W131 HydrophobicContact CD2-CZ2 3.26Å; Y127-W131 AromaticContact CD2-CZ3 3.61Å; Y127-W131 HydrophobicContact CD2-CZ3 3.61Å; Y127-W131 AromaticContact CE2-CH2 3.66Å; Y127-W131 HydrophobicContact CE2-CH2 3.66Å; Y127-W131 HydrophobicContact CE2-CZ2 4.15Å; Y127-W131 AromaticContact CE2-CZ3 3.92Å; Y127-W131 HydrophobicContact CE2-CZ3 3.92Å; Y127-W131 HydrophobicContact CG-CH2 4.21Å; Y127-W131 AromaticContact CG-CZ2 3.84Å; Y127-W131 HydrophobicContact CG-CZ2 3.84Å; Y127-V209 HydrophobicContact CD1-CG1 3.37Å; Y127-V209 HydrophobicContact CD2-CG1 4.16Å; Y127-V209 HydrophobicContact CD2-CG2 4.49Å; Y127-V209 HydrophobicContact CE1-CG1 3.53Å; Y127-V209 HydrophobicContact CE2-CG1 4.3Å; Y127-V209 HydrophobicContact CG-CG1 3.71Å; Y127-W212 HydrophobicContact CE2-CE3 4.33Å; Y127-W212 HydrophobicContact CE2-CZ3 4.22Å; Y127-W212 AromaticContact CZ-CE3 3.94Å; Y127-W212 VanDerWaalsContact OH-CE3 3.28Å; Y127-W212 VanDerWaalsContact OH-CZ3 3.24Å; Y127-W212 WeakPolarHBondContact OH-CZ3 3.43Å
128	G	96.9	Very high	98.1	Very high	13 Å²	13	41 Å²	41	13%	0.134	23%	0.227	C	C	.	.	S	Bend	trans	157.3	-152.2	176.2	0	0	0	0	0	112.7	H126 T149 T151	H126-G128 PolarHBondContact O-N 2.79Å; G128-T149 PolarHBondContact O-OG1 3.08Å; G128-T151 CarbonylContact C-O 3.57Å; G128-T151 WeakPolarHBondContact CA-O 3.13Å
129	I	98.3	Very high	98.1	Very high	90 Å²	90	42 Å²	42	46%	0.462	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	141.7	179.4	-63.5	171.4	0	0	0	111.5	W131 L150 M170	I129-W131 VanDerWaalsContact C-N 3.32Å; I129-W131 PolarHBondContact O-N 2.88Å; I129-L150 WeakPolarHBondContact CG1-O 3.36Å; I129-M170 HydrophobicContact CG2-CE 3.42Å; I129-M170 VanDerWaalsContact CG2-CE 3.42Å; I129-M170 HydrophobicContact CG2-SD 4.5Å
130	G	98.6	Very high	98	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.021	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	4.8	172.3	0	0	0	0	0	114.6	T149 K165 V166	G130-T149 PolarHBondContact N-O 3.37Å; G130-T149 PolarHBondContact N-OG1 2.87Å; G130-K165 CarbonylContact O-C 3.49Å; G130-K165 VanDerWaalsContact O-CA 3.3Å; G130-K165 WeakPolarHBondContact O-CA 3.32Å; G130-K165 WeakPolarHBondContact O-CG 3.36Å; G130-V166 PolarHBondContact O-N 3.46Å
131	W	98.8	Very high	98	Very high	6 Å²	6	44.7 Å²	44.7	2%	0.023	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	141	174.1	-73.4	76.5	0	0	0	110.2	P34 F59 L124 Y127 I129 I148 T149 V162 K165 V207 V209	P34-W131 HydrophobicContact CG-CH2 4.14Å; P34-W131 HydrophobicContact CG-CZ3 4.42Å; F59-W131 AromaticContact CE2-CE3 3.95Å; F59-W131 HydrophobicContact CE2-CE3 3.95Å; F59-W131 HydrophobicContact CE2-CH2 4.33Å; F59-W131 AromaticContact CE2-CZ3 3.47Å; F59-W131 HydrophobicContact CE2-CZ3 3.47Å; F59-W131 VanDerWaalsContact CE2-CZ3 3.47Å; F59-W131 HydrophobicContact CZ-CE3 4.39Å; F59-W131 HydrophobicContact CZ-CH2 4.28Å; F59-W131 AromaticContact CZ-CZ3 3.82Å; F59-W131 HydrophobicContact CZ-CZ3 3.82Å; L124-W131 HydrophobicContact CD2-CH2 4.42Å; L124-W131 HydrophobicContact CD2-CZ3 3.93Å; Y127-W131 HydrophobicContact CD2-CD2 4.04Å; Y127-W131 AromaticContact CD2-CE2 3.67Å; Y127-W131 HydrophobicContact CD2-CE3 4.01Å; Y127-W131 AromaticContact CD2-CH2 3.22Å; Y127-W131 HydrophobicContact CD2-CH2 3.22Å; Y127-W131 AromaticContact CD2-CZ2 3.26Å; Y127-W131 HydrophobicContact CD2-CZ2 3.26Å; Y127-W131 AromaticContact CD2-CZ3 3.61Å; Y127-W131 HydrophobicContact CD2-CZ3 3.61Å; Y127-W131 AromaticContact CE2-CH2 3.66Å; Y127-W131 HydrophobicContact CE2-CH2 3.66Å; Y127-W131 HydrophobicContact CE2-CZ2 4.15Å; Y127-W131 AromaticContact CE2-CZ3 3.92Å; Y127-W131 HydrophobicContact CE2-CZ3 3.92Å; Y127-W131 HydrophobicContact CG-CH2 4.21Å; Y127-W131 AromaticContact CG-CZ2 3.84Å; Y127-W131 HydrophobicContact CG-CZ2 3.84Å; I129-W131 VanDerWaalsContact C-N 3.32Å; I129-W131 PolarHBondContact O-N 2.88Å; W131-I148 WeakPolarHBondContact O-CA 3.36Å; W131-T149 PolarHBondContact N-OG1 2.8Å; W131-T149 PolarHBondContact O-N 3.27Å; W131-T149 PolarHBondContact O-OG1 3.01Å; W131-V162 HydrophobicContact CE3-CG1 3.46Å; W131-V162 VanDerWaalsContact CE3-CG1 3.46Å; W131-V162 HydrophobicContact CZ3-CG1 3.99Å; W131-K165 HydrophobicContact CD2-CD 4.48Å; W131-K165 HydrophobicContact CD2-CG 4.47Å; W131-K165 HydrophobicContact CG-CG 4.48Å; W131-K165 HydrophobicContact CZ2-CD 4.27Å; W131-V207 HydrophobicContact CZ2-CG1 4.44Å; W131-V209 HydrophobicContact CH2-CG2 3.7Å; W131-V209 HydrophobicContact CZ2-CG2 3.64Å
132	V	98.9	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.6	-175.2	-166.1	0	0	0	0	109.4	I56 F146 F147 I148 F163 G164 V166	I56-V132 HydrophobicContact CD1-CG2 4.28Å; I56-V132 HydrophobicContact CG1-CG2 4.31Å; I56-V132 HydrophobicContact CG2-CB 4.31Å; I56-V132 HydrophobicContact CG2-CG2 3.7Å; V132-F146 HydrophobicContact CG1-CD2 4.07Å; V132-F147 WeakPolarHBondContact CA-O 3.32Å; V132-I148 HydrophobicContact CG1-CG1 4.37Å; V132-I148 HydrophobicContact CG2-CG1 4.15Å; V132-F163 HydrophobicContact CB-CE2 4.47Å; V132-F163 HydrophobicContact CB-CZ 4.34Å; V132-F163 HydrophobicContact CG1-CE1 4.04Å; V132-F163 HydrophobicContact CG1-CE2 3.92Å; V132-F163 HydrophobicContact CG1-CZ 3.48Å; V132-F163 VanDerWaalsContact CG1-CZ 3.48Å; V132-F163 PolarHBondContact O-N 3.2Å; V132-G164 PolarHBondContact N-O 3.16Å; V132-G164 PolarHBondContact O-N 2.61Å; V132-V166 HydrophobicContact CG2-CG2 4.23Å
133	S	98.9	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	153	-170.2	-169.3	0	0	0	0	111.3	H126 F146 F147 H160 V161 F163	H126-S133 WeakPolarHBondContact NE2-CB 3.42Å; H126-S133 PolarHBondContact NE2-OG 2.98Å; S133-F146 CarbonylContact O-C 3.54Å; S133-F146 VanDerWaalsContact O-CA 3.29Å; S133-F146 WeakPolarHBondContact O-CA 3.39Å; S133-F147 PolarHBondContact N-O 2.86Å; S133-F147 PolarHBondContact O-N 3.18Å; S133-H160 WeakPolarHBondContact OG-CB 3.25Å; S133-V161 WeakPolarHBondContact CA-O 3.35Å; S133-V161 PolarHBondContact OG-O 3.23Å; S133-F163 VanDerWaalsContact C-CE1 3.45Å
134	M	98.9	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	132.4	178.5	-67.7	-56	-62.7	0	0	110.5	T66 F117 N142 G143 Q145 F147 H160 V161 F163	T66-M134 HydrophobicContact CG2-CG 3.65Å; T66-M134 HydrophobicContact CG2-SD 3.86Å; F117-M134 HydrophobicContact CE1-CE 4.14Å; F117-M134 HydrophobicContact CZ-CE 4.12Å; M134-N142 WeakPolarHBondContact CB-OD1 3.45Å; M134-N142 HydrophobicContact CE-CB 4.06Å; M134-N142 HydrophobicContact CG-CB 4.5Å; M134-G143 VanDerWaalsContact CE-O 3.24Å; M134-G143 WeakPolarHBondContact CE-O 3.47Å; M134-Q145 WeakPolarHBondContact CE-O 3.46Å; M134-F147 WeakPolarHBondContact O-CE1 3.25Å; M134-H160 WeakPolarHBondContact O-CB 3.46Å; M134-H160 PolarHBondContact O-ND1 3.49Å; M134-V161 HydrophobicContact CB-CB 4.48Å; M134-V161 HydrophobicContact CG-CB 4.29Å; M134-V161 PolarHBondContact N-O 3.18Å; M134-F163 HydrophobicContact CG-CD1 3.88Å; M134-F163 HydrophobicContact CG-CE1 3.95Å; M134-F163 HydrophobicContact SD-CD1 3.93Å; M134-F163 HydrophobicContact SD-CE1 3.51Å; M134-F163 VanDerWaalsContact SD-CE1 3.51Å; M134-F163 HydrophobicContact SD-CZ 4.23Å
135	A	98.8	Very high	98.2	Very high	9 Å²	9	33.7 Å²	33.7	7%	0.074	21%	0.205	C	C	.	.			trans	-79.8	145.8	162.2	0	0	0	0	0	108.9	Q145 F147	A135-Q145 HydrophobicContact CB-CB 3.78Å; A135-Q145 PolarHBondContact N-O 3Å; A135-F147 HydrophobicContact CB-CD1 4.3Å
136	N	98	Very high	98.3	Very high	38 Å²	38	28.4 Å²	28.4	20%	0.203	18%	0.182	C	C	.	.			trans	-148.8	166.5	178.3	66.4	30.8	0	0	0	110.1	G138 T141 K159 H160	N136-G138 PolarHBondContact OD1-N 2.67Å; N136-T141 WeakPolarHBondContact CB-OG1 3.46Å; N136-K159 PolarHBondContact ND2-O 2.98Å; N136-H160 PolarHBondContact OD1-CE1 2.96Å
137	A	96.4	Very high	98.3	Very high	101 Å²	101	28.8 Å²	28.8	84%	0.835	18%	0.183	S	C	*	.	S	Bend	trans	-107.4	26.1	177.3	0	0	0	0	0	112	T141	A137-T141 PolarHBondContact N-OG1 2.96Å
138	G	96.8	Very high	98.4	Very high	26 Å²	26	26.8 Å²	26.8	27%	0.268	18%	0.175	S	C	.	.	S	Bend	trans	130.7	176.2	-170.9	0	0	0	0	0	111.9	N136 D140 T141	N136-G138 PolarHBondContact OD1-N 2.67Å; G138-D140 PolarHBondContact O-N 2.79Å; G138-T141 PolarHBondContact N-OG1 3.39Å; G138-T141 PolarHBondContact O-N 3.1Å; G138-T141 PolarHBondContact O-OG1 3.32Å
139	P	98.2	Very high	98.5	Very high	109 Å²	109	26.1 Å²	26.1	71%	0.708	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	139.4	178.6	-25.3	34.6	0	0	0	112	T141	P139-T141 VanDerWaalsContact C-N 3.28Å; P139-T141 PolarHBondContact O-N 3.19Å
140	D	98.3	Very high	98.5	Very high	84 Å²	84	22.3 Å²	22.3	45%	0.449	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	27	172.9	-57.7	-47	0	0	0	116	F117 P118 D119 G138	F117-D140 CarbonylContact O-C 3.53Å; P118-D140 VanDerWaalsContact CA-OD1 3.32Å; P118-D140 WeakPolarHBondContact CA-OD1 3.03Å; P118-D140 HydrophobicContact CB-CB 4.24Å; P118-D140 WeakPolarHBondContact CB-OD1 3.37Å; D119-D140 PolarHBondContact N-OD1 3Å; D119-D140 PolarHBondContact OD2-N 3.44Å; G138-D140 PolarHBondContact O-N 2.79Å
141	T	98.6	Very high	98.5	Very high	45 Å²	45	24.7 Å²	24.7	28%	0.276	16%	0.164	S	C	.	.			trans	-114.9	34.5	179.9	60.8	0	0	0	0	113.7	N136 A137 G138 P139 G143	N136-T141 WeakPolarHBondContact CB-OG1 3.46Å; A137-T141 PolarHBondContact N-OG1 2.96Å; G138-T141 PolarHBondContact N-OG1 3.39Å; G138-T141 PolarHBondContact O-N 3.1Å; G138-T141 PolarHBondContact O-OG1 3.32Å; P139-T141 VanDerWaalsContact C-N 3.28Å; P139-T141 PolarHBondContact O-N 3.19Å; T141-G143 PolarHBondContact O-N 2.93Å
142	N	98.8	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-70.8	129.4	178.5	-57.8	-75.7	0	0	0	110.5	T116 F117 P118 D119 M134	T116-N142 CarbonylContact C-O 3.55Å; T116-N142 WeakPolarHBondContact CA-O 3.44Å; F117-N142 HydrophobicContact CD1-CB 3.8Å; F117-N142 WeakPolarHBondContact CD1-O 3.23Å; F117-N142 HydrophobicContact CD2-CB 4.15Å; F117-N142 HydrophobicContact CE1-CB 3.46Å; F117-N142 VanDerWaalsContact CE1-CB 3.46Å; F117-N142 WeakPolarHBondContact CE1-O 3.44Å; F117-N142 HydrophobicContact CE2-CB 3.84Å; F117-N142 HydrophobicContact CG-CB 4.14Å; F117-N142 HydrophobicContact CZ-CB 3.48Å; F117-N142 VanDerWaalsContact CZ-CB 3.48Å; F117-N142 PolarHBondContact N-O 2.82Å; F117-N142 WeakPolarHBondContact O-CB 3.33Å; F117-N142 PolarHBondContact O-N 3.14Å; F117-N142 VanDerWaalsContact O-N 3.13Å; F117-N142 PolarHBondContact O-ND2 3.02Å; F117-N142 VanDerWaalsContact O-ND2 3.15Å; P118-N142 PolarHBondContact O-ND2 3.24Å; D119-N142 WeakPolarHBondContact CA-ND2 3.42Å; D119-N142 PolarHBondContact N-ND2 3.3Å; D119-N142 PolarHBondContact OD1-ND2 3.43Å; M134-N142 WeakPolarHBondContact CB-OD1 3.45Å; M134-N142 HydrophobicContact CE-CB 4.06Å; M134-N142 HydrophobicContact CG-CB 4.5Å
143	G	98.7	Very high	98.3	Very high	9 Å²	9	29.5 Å²	29.5	9%	0.093	19%	0.185	C	C	.	.			trans	-119.4	-121.1	177.1	0	0	0	0	0	111.7	N69 M134 T141	N69-G143 PolarHBondContact ND2-O 2.87Å; N69-G143 VanDerWaalsContact ND2-O 3.1Å; M134-G143 VanDerWaalsContact CE-O 3.24Å; M134-G143 WeakPolarHBondContact CE-O 3.47Å; T141-G143 PolarHBondContact O-N 2.93Å
144	S	98.9	Very high	98.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-102.1	-17.3	170.8	53.9	0	0	0	0	113.9	Y82 G99 G109 V110	Y82-S144 VanDerWaalsContact CE1-O 3.25Å; Y82-S144 WeakPolarHBondContact CE1-O 3.18Å; Y82-S144 PolarHBondContact OH-O 3.38Å; G99-S144 CarbonylContact O-C 3.56Å; G99-S144 VanDerWaalsContact O-C 3.23Å; G99-S144 WeakPolarHBondContact O-CB 3.45Å; G99-S144 PolarHBondContact O-OG 2.97Å; G109-S144 WeakPolarHBondContact CA-OG 3.46Å; V110-S144 PolarHBondContact N-OG 3.17Å; V110-S144 VanDerWaalsContact N-OG 3.16Å; V110-S144 VanDerWaalsContact O-CB 3.29Å; V110-S144 WeakPolarHBondContact O-CB 3.26Å
145	Q	98.9	Very high	98.2	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.103	23%	0.233	C	C	.	.			trans	-69.9	141	-174.7	-64.3	-167.8	42.9	0	0	111.8	H88 G98 G99 D100 G106 G108 M134 A135	H88-Q145 PolarHBondContact CE1-OE1 2.72Å; H88-Q145 VanDerWaalsContact CE1-OE1 3.32Å; H88-Q145 PolarHBondContact NE2-OE1 3.01Å; G98-Q145 VanDerWaalsContact O-CA 3.31Å; G98-Q145 WeakPolarHBondContact O-CA 3.27Å; G99-Q145 PolarHBondContact O-N 3.48Å; D100-Q145 HydrophobicContact CB-CG 4.04Å; G106-Q145 VanDerWaalsContact C-NE2 3.35Å; G106-Q145 PolarHBondContact O-NE2 2.8Å; G108-Q145 PolarHBondContact O-NE2 3.03Å; M134-Q145 WeakPolarHBondContact CE-O 3.46Å; A135-Q145 HydrophobicContact CB-CB 3.78Å; A135-Q145 PolarHBondContact N-O 3Å
146	F	98.9	Very high	98.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	163	-179	69.5	-87	0	0	0	110.3	F42 F70 Y82 F87 Q97 G98 V132 S133 I148 F163 I193	F42-F146 HydrophobicContact CD2-CZ 4.31Å; F42-F146 HydrophobicContact CE2-CE1 4.18Å; F42-F146 AromaticContact CE2-CE2 3.9Å; F42-F146 HydrophobicContact CE2-CE2 3.9Å; F42-F146 AromaticContact CE2-CZ 3.44Å; F42-F146 HydrophobicContact CE2-CZ 3.44Å; F42-F146 VanDerWaalsContact CE2-CZ 3.44Å; F42-F146 HydrophobicContact CZ-CE1 4.22Å; F42-F146 AromaticContact CZ-CZ 3.94Å; F42-F146 HydrophobicContact CZ-CZ 3.94Å; F70-F146 HydrophobicContact CE2-CB 4.12Å; F70-F146 AromaticContact CE2-CD1 3.66Å; F70-F146 HydrophobicContact CE2-CD1 3.66Å; F70-F146 HydrophobicContact CE2-CD2 4.27Å; F70-F146 HydrophobicContact CE2-CE1 4.11Å; F70-F146 AromaticContact CE2-CG 3.75Å; F70-F146 HydrophobicContact CE2-CG 3.75Å; F70-F146 HydrophobicContact CZ-CD1 4.39Å; F70-F146 HydrophobicContact CZ-CD2 4.5Å; F70-F146 HydrophobicContact CZ-CE1 4.48Å; F70-F146 HydrophobicContact CZ-CG 4.4Å; Y82-F146 HydrophobicContact CD1-CE1 4.14Å; Y82-F146 AromaticContact CE1-CD1 3.97Å; Y82-F146 HydrophobicContact CE1-CD1 3.97Å; Y82-F146 AromaticContact CE1-CE1 3.89Å; Y82-F146 HydrophobicContact CE1-CE1 3.89Å; F87-F146 HydrophobicContact CE1-CE2 4.08Å; F87-F146 HydrophobicContact CE1-CZ 4.08Å; F87-F146 HydrophobicContact CZ-CZ 4.44Å; Q97-F146 WeakPolarHBondContact CA-O 3.04Å; G98-F146 PolarHBondContact N-O 3.26Å; G98-F146 PolarHBondContact O-N 2.84Å; V132-F146 HydrophobicContact CG1-CD2 4.07Å; S133-F146 CarbonylContact O-C 3.54Å; S133-F146 VanDerWaalsContact O-CA 3.29Å; S133-F146 WeakPolarHBondContact O-CA 3.39Å; F146-I148 HydrophobicContact CD2-CG1 4.39Å; F146-I148 HydrophobicContact CE2-CD1 4.34Å; F146-I148 HydrophobicContact CE2-CG1 4.22Å; F146-F163 HydrophobicContact CB-CE1 4.36Å; F146-F163 HydrophobicContact CB-CZ 4.2Å; F146-I193 HydrophobicContact CZ-CD1 4.25Å
147	F	98.9	Very high	98.2	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.035	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154.9	169.9	63.5	-91	0	0	0	112.4	M95 I96 Q97 H126 V132 S133 M134 A135 T149 L156 H160	M95-F147 HydrophobicContact CB-CB 4.36Å; M95-F147 HydrophobicContact CB-CD2 4.18Å; M95-F147 HydrophobicContact CG-CB 4.48Å; M95-F147 HydrophobicContact SD-CB 3.98Å; I96-F147 CarbonylContact O-C 3.58Å; I96-F147 WeakPolarHBondContact O-CA 3.36Å; I96-F147 WeakPolarHBondContact O-CB 3.29Å; Q97-F147 HydrophobicContact CB-CB 4.07Å; H126-F147 AromaticContact CD2-CE2 3.86Å; H126-F147 AromaticContact NE2-CE2 3.81Å; H126-F147 AromaticContact NE2-CZ 3.49Å; H126-F147 WeakPolarHBondContact NE2-CZ 3.09Å; V132-F147 WeakPolarHBondContact CA-O 3.32Å; S133-F147 PolarHBondContact N-O 2.86Å; S133-F147 PolarHBondContact O-N 3.18Å; M134-F147 WeakPolarHBondContact O-CE1 3.25Å; A135-F147 HydrophobicContact CB-CD1 4.3Å; F147-T149 HydrophobicContact CD2-CG2 4.05Å; F147-T149 HydrophobicContact CE2-CG2 3.81Å; F147-L156 HydrophobicContact CE2-CD1 3.93Å; F147-L156 HydrophobicContact CZ-CD1 3.76Å; F147-H160 HydrophobicContact CE1-CB 4.09Å; F147-H160 AromaticContact CE1-CG 3.94Å; F147-H160 AromaticContact CE1-ND1 3.86Å; F147-H160 HydrophobicContact CZ-CB 4.06Å
148	I	98.9	Very high	98.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125	172.8	-54.7	176.5	0	0	0	107.5	M95 I96 W131 V132 F146 V166 V173	M95-I148 VanDerWaalsContact CA-O 3.23Å; M95-I148 WeakPolarHBondContact CA-O 3.4Å; M95-I148 WeakPolarHBondContact CB-O 3.44Å; I96-I148 HydrophobicContact CD1-CB 4.49Å; I96-I148 HydrophobicContact CD1-CD1 4.28Å; I96-I148 HydrophobicContact CG1-CB 3.88Å; I96-I148 HydrophobicContact CG1-CD1 4.45Å; I96-I148 HydrophobicContact CG1-CG1 4.4Å; I96-I148 PolarHBondContact N-O 2.84Å; I96-I148 PolarHBondContact O-N 2.82Å; W131-I148 WeakPolarHBondContact O-CA 3.36Å; V132-I148 HydrophobicContact CG1-CG1 4.37Å; V132-I148 HydrophobicContact CG2-CG1 4.15Å; F146-I148 HydrophobicContact CD2-CG1 4.39Å; F146-I148 HydrophobicContact CE2-CD1 4.34Å; F146-I148 HydrophobicContact CE2-CG1 4.22Å; I148-V166 HydrophobicContact CD1-CG2 4.08Å; I148-V166 HydrophobicContact CG2-CG2 3.72Å; I148-V173 HydrophobicContact CD1-CG2 4.17Å; I148-V173 HydrophobicContact CG2-CG1 4.06Å; I148-V173 HydrophobicContact CG2-CG2 4.43Å
149	T	98.9	Very high	98.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	144.5	-176.7	56.2	0	0	0	0	112.7	G128 G130 W131 F147 P153	G128-T149 PolarHBondContact O-OG1 3.08Å; G130-T149 PolarHBondContact N-O 3.37Å; G130-T149 PolarHBondContact N-OG1 2.87Å; W131-T149 PolarHBondContact N-OG1 2.8Å; W131-T149 PolarHBondContact O-N 3.27Å; W131-T149 PolarHBondContact O-OG1 3.01Å; F147-T149 HydrophobicContact CD2-CG2 4.05Å; F147-T149 HydrophobicContact CE2-CG2 3.81Å; T149-P153 HydrophobicContact CG2-CG 3.81Å
150	L	98.7	Very high	98.4	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.052	20%	0.201	C	C	.	.	S	Bend	trans	-116.2	5.5	174.2	-64	161.2	0	0	0	111.8	F94 I96 I129 V173 E177	F94-L150 PolarHBondContact O-N 3.18Å; I96-L150 HydrophobicContact CG2-CD1 3.98Å; I129-L150 WeakPolarHBondContact CG1-O 3.36Å; L150-V173 HydrophobicContact CD2-CG1 3.85Å; L150-E177 HydrophobicContact CD1-CB 3.82Å; L150-E177 VanDerWaalsContact CD1-CD 3.4Å; L150-E177 HydrophobicContact CD1-CG 3.49Å; L150-E177 VanDerWaalsContact CD1-CG 3.49Å; L150-E177 WeakPolarHBondContact CD1-OE1 3.47Å; L150-E177 HydrophobicContact CD2-CB 4.33Å; L150-E177 HydrophobicContact CD2-CG 4.39Å; L150-E177 WeakPolarHBondContact CD2-OE2 3.02Å
151	T	98	Very high	98.4	Very high	52 Å²	52	34.5 Å²	34.5	32%	0.319	18%	0.18	S	C	.	.	S	Bend	trans	-150.3	-169.2	175.8	-170.1	0	0	0	0	109.8	D93 F94 G128 P153 W155	D93-T151 VanDerWaalsContact O-CB 3.32Å; D93-T151 WeakPolarHBondContact O-CB 3.23Å; D93-T151 WeakPolarHBondContact O-CG2 3.44Å; F94-T151 HydrophobicContact CD2-CG2 4.15Å; G128-T151 CarbonylContact C-O 3.57Å; G128-T151 WeakPolarHBondContact CA-O 3.13Å; T151-P153 VanDerWaalsContact C-CD 3.41Å; T151-P153 HydrophobicContact CG2-CB 4.32Å; T151-P153 WeakPolarHBondContact O-CD 3.41Å; T151-W155 HydrophobicContact CG2-CH2 4.44Å
152	K	97.6	Very high	98.5	Very high	106 Å²	106	32.5 Å²	32.5	46%	0.461	17%	0.167	S	C	.	.			trans	-103.6	81.4	171	-169.4	-177.9	179.2	173.9	0	110.6	H126 T154	H126-K152 VanDerWaalsContact O-CG 3.25Å; H126-K152 WeakPolarHBondContact O-CG 3.49Å; K152-T154 VanDerWaalsContact C-N 3.34Å; K152-T154 HydrophobicContact CD-CG2 4.34Å; K152-T154 HydrophobicContact CG-CG2 4.09Å; K152-T154 PolarHBondContact O-N 3.43Å
153	P	97.1	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.			trans	-82.5	73	-173.6	35.8	-39.3	0	0	0	112.5	F94 H126 T149 T151 W155 L156	F94-P153 HydrophobicContact CD2-CB 4.24Å; F94-P153 HydrophobicContact CE2-CB 3.75Å; F94-P153 HydrophobicContact CE2-CG 4.29Å; H126-P153 HydrophobicContact CB-CG 3.82Å; T149-P153 HydrophobicContact CG2-CG 3.81Å; T151-P153 VanDerWaalsContact C-CD 3.41Å; T151-P153 HydrophobicContact CG2-CB 4.32Å; T151-P153 WeakPolarHBondContact O-CD 3.41Å; P153-W155 HydrophobicContact CB-CD2 4.15Å; P153-W155 HydrophobicContact CB-CE3 4.38Å; P153-W155 HydrophobicContact CB-CH2 3.78Å; P153-W155 HydrophobicContact CB-CZ2 3.48Å; P153-W155 VanDerWaalsContact CB-CZ2 3.48Å; P153-W155 HydrophobicContact CB-CZ3 4.22Å; P153-W155 PolarHBondContact O-N 3.46Å; P153-L156 HydrophobicContact CB-CD1 3.9Å; P153-L156 HydrophobicContact CB-CG 4.08Å; P153-L156 HydrophobicContact CG-CD1 3.89Å; P153-L156 HydrophobicContact CG-CG 4.43Å; P153-L156 WeakPolarHBondContact O-CB 3.37Å; P153-L156 PolarHBondContact O-N 3.41Å
154	T	97.3	Very high	98.5	Very high	78 Å²	78	32 Å²	32	48%	0.479	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-59.4	-20.6	-176	55.8	0	0	0	0	114.1	K152 L156 D157	K152-T154 VanDerWaalsContact C-N 3.34Å; K152-T154 HydrophobicContact CD-CG2 4.34Å; K152-T154 HydrophobicContact CG-CG2 4.09Å; K152-T154 PolarHBondContact O-N 3.43Å; T154-L156 PolarHBondContact O-N 3.3Å; T154-D157 WeakPolarHBondContact O-CB 3.44Å; T154-D157 PolarHBondContact O-N 3.11Å
155	W	98.3	Very high	98.5	Very high	141 Å²	141	34.7 Å²	34.7	53%	0.534	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-69.5	-11	175.8	59.8	88.7	0	0	0	114.4	F94 T151 P153 K159	F94-W155 AromaticContact CD2-CZ2 3.99Å; F94-W155 HydrophobicContact CD2-CZ2 3.99Å; F94-W155 AromaticContact CE2-CZ2 3.77Å; F94-W155 HydrophobicContact CE2-CZ2 3.77Å; F94-W155 HydrophobicContact CZ-CZ2 4.46Å; T151-W155 HydrophobicContact CG2-CH2 4.44Å; P153-W155 HydrophobicContact CB-CD2 4.15Å; P153-W155 HydrophobicContact CB-CE3 4.38Å; P153-W155 HydrophobicContact CB-CH2 3.78Å; P153-W155 HydrophobicContact CB-CZ2 3.48Å; P153-W155 VanDerWaalsContact CB-CZ2 3.48Å; P153-W155 HydrophobicContact CB-CZ3 4.22Å; P153-W155 PolarHBondContact O-N 3.46Å; W155-K159 PolarHBondContact O-NZ 3.28Å
156	L	98.3	Very high	98.5	Very high	19 Å²	19	34.1 Å²	34.1	10%	0.099	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-93.6	-11.2	174.2	-57.8	-175.4	0	0	0	113	F94 H126 F147 P153 T154 G158 K159 H160	F94-L156 HydrophobicContact CE2-CD1 3.92Å; F94-L156 HydrophobicContact CZ-CD1 4Å; H126-L156 PolarHBondContact CE1-O 2.98Å; F147-L156 HydrophobicContact CE2-CD1 3.93Å; F147-L156 HydrophobicContact CZ-CD1 3.76Å; P153-L156 HydrophobicContact CB-CD1 3.9Å; P153-L156 HydrophobicContact CB-CG 4.08Å; P153-L156 HydrophobicContact CG-CD1 3.89Å; P153-L156 HydrophobicContact CG-CG 4.43Å; P153-L156 WeakPolarHBondContact O-CB 3.37Å; P153-L156 PolarHBondContact O-N 3.41Å; T154-L156 PolarHBondContact O-N 3.3Å; L156-G158 PolarHBondContact O-N 3.01Å; L156-K159 PolarHBondContact O-N 2.96Å; L156-K159 VanDerWaalsContact O-N 3.11Å; L156-H160 PolarHBondContact O-N 2.99Å
157	D	98.1	Very high	98.4	Very high	42 Å²	42	37 Å²	37	23%	0.225	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	134.7	178.1	-67.4	-15.9	0	0	0	110.4	K125 H126 T154 K159	K125-D157 WeakPolarHBondContact CA-OD1 3.31Å; K125-D157 HydrophobicContact CG-CB 4.35Å; H126-D157 IonicContact CE1-OD1 3.94Å; H126-D157 IonicContact CG-OD1 3.46Å; H126-D157 PolarHBondContact N-OD1 3.05Å; H126-D157 IonicContact ND1-OD1 3.48Å; H126-D157 PolarHBondContact ND1-OD1 2.9Å; T154-D157 WeakPolarHBondContact O-CB 3.44Å; T154-D157 PolarHBondContact O-N 3.11Å; D157-K159 PolarHBondContact O-N 3.5Å
158	G	98.2	Very high	98.4	Very high	42 Å²	42	41.8 Å²	41.8	43%	0.433	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	3.9	-176	0	0	0	0	0	115.1	F122 L156	F122-G158 WeakPolarHBondContact CE2-O 3.24Å; F122-G158 WeakPolarHBondContact CZ-O 3.5Å; L156-G158 PolarHBondContact O-N 3.01Å
159	K	98.6	Very high	98.4	Very high	122 Å²	122	42 Å²	42	53%	0.53	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-27.3	179.8	-59.7	175.8	-173.6	162.2	0	113.8	N136 W155 L156 D157	N136-K159 PolarHBondContact ND2-O 2.98Å; W155-K159 PolarHBondContact O-NZ 3.28Å; L156-K159 PolarHBondContact O-N 2.96Å; L156-K159 VanDerWaalsContact O-N 3.11Å; D157-K159 PolarHBondContact O-N 3.5Å
160	H	98.8	Very high	98.4	Very high	29 Å²	29	44.2 Å²	44.2	13%	0.134	23%	0.227	C	C	.	.	S	Bend	trans	-126.9	131.7	179.4	-63.8	-87.2	0	0	0	109.8	S133 M134 N136 F147 L156 V162	S133-H160 WeakPolarHBondContact OG-CB 3.25Å; M134-H160 WeakPolarHBondContact O-CB 3.46Å; M134-H160 PolarHBondContact O-ND1 3.49Å; N136-H160 PolarHBondContact OD1-CE1 2.96Å; F147-H160 HydrophobicContact CE1-CB 4.09Å; F147-H160 AromaticContact CE1-CG 3.94Å; F147-H160 AromaticContact CE1-ND1 3.86Å; F147-H160 HydrophobicContact CZ-CB 4.06Å; L156-H160 PolarHBondContact O-N 2.99Å; H160-V162 PolarHBondContact O-N 3.36Å
161	V	98.9	Very high	98.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.			trans	-74.2	109.3	-179	-179.2	0	0	0	0	109.5	V63 T66 D119 F122 S133 M134	V63-V161 HydrophobicContact CB-CG1 4.5Å; V63-V161 HydrophobicContact CG1-CG1 3.87Å; T66-V161 HydrophobicContact CG2-CG1 4.19Å; D119-V161 HydrophobicContact CB-CG2 3.9Å; F122-V161 HydrophobicContact CE1-CG2 4.07Å; S133-V161 WeakPolarHBondContact CA-O 3.35Å; S133-V161 PolarHBondContact OG-O 3.23Å; M134-V161 HydrophobicContact CB-CB 4.48Å; M134-V161 HydrophobicContact CG-CB 4.29Å; M134-V161 PolarHBondContact N-O 3.18Å
162	V	98.9	Very high	98.4	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.7	172.7	178.8	0	0	0	0	109.2	L124 H126 W131 H160	L124-V162 HydrophobicContact CB-CB 3.69Å; L124-V162 HydrophobicContact CB-CG1 3.89Å; L124-V162 WeakPolarHBondContact CD1-O 3.37Å; H126-V162 WeakPolarHBondContact NE2-CG2 3.2Å; W131-V162 HydrophobicContact CE3-CG1 3.46Å; W131-V162 VanDerWaalsContact CE3-CG1 3.46Å; W131-V162 HydrophobicContact CZ3-CG1 3.99Å; H160-V162 PolarHBondContact O-N 3.36Å
163	F	98.9	Very high	98.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	-7.5	-171.6	69	-95.5	0	0	0	115.1	L58 F59 V63 T66 F70 V132 S133 M134 F146	L58-F163 HydrophobicContact CD2-CD2 3.67Å; L58-F163 HydrophobicContact CD2-CE2 3.72Å; F59-F163 WeakPolarHBondContact CD2-O 3.34Å; F59-F163 PolarHBondContact N-O 3.27Å; V63-F163 HydrophobicContact CG2-CB 3.6Å; T66-F163 HydrophobicContact CG2-CB 3.66Å; T66-F163 HydrophobicContact CG2-CD1 3.79Å; T66-F163 HydrophobicContact CG2-CG 3.77Å; F70-F163 HydrophobicContact CB-CE2 3.99Å; F70-F163 AromaticContact CD1-CE2 3.77Å; F70-F163 HydrophobicContact CD1-CE2 3.77Å; F70-F163 HydrophobicContact CD1-CZ 4.45Å; F70-F163 AromaticContact CD2-CE2 3.54Å; F70-F163 HydrophobicContact CD2-CE2 3.54Å; F70-F163 AromaticContact CD2-CZ 3.43Å; F70-F163 HydrophobicContact CD2-CZ 3.43Å; F70-F163 VanDerWaalsContact CD2-CZ 3.43Å; F70-F163 HydrophobicContact CE1-CE2 4.05Å; F70-F163 AromaticContact CE2-CE2 3.86Å; F70-F163 HydrophobicContact CE2-CE2 3.86Å; F70-F163 AromaticContact CE2-CZ 3.57Å; F70-F163 HydrophobicContact CE2-CZ 3.57Å; F70-F163 HydrophobicContact CG-CD2 4.42Å; F70-F163 AromaticContact CG-CE2 3.48Å; F70-F163 HydrophobicContact CG-CE2 3.48Å; F70-F163 VanDerWaalsContact CG-CE2 3.48Å; F70-F163 AromaticContact CG-CZ 3.9Å; F70-F163 HydrophobicContact CG-CZ 3.9Å; F70-F163 HydrophobicContact CZ-CE2 4.09Å; F70-F163 HydrophobicContact CZ-CZ 4.12Å; V132-F163 HydrophobicContact CB-CE2 4.47Å; V132-F163 HydrophobicContact CB-CZ 4.34Å; V132-F163 HydrophobicContact CG1-CE1 4.04Å; V132-F163 HydrophobicContact CG1-CE2 3.92Å; V132-F163 HydrophobicContact CG1-CZ 3.48Å; V132-F163 VanDerWaalsContact CG1-CZ 3.48Å; V132-F163 PolarHBondContact O-N 3.2Å; S133-F163 VanDerWaalsContact C-CE1 3.45Å; M134-F163 HydrophobicContact CG-CD1 3.88Å; M134-F163 HydrophobicContact CG-CE1 3.95Å; M134-F163 HydrophobicContact SD-CD1 3.93Å; M134-F163 HydrophobicContact SD-CE1 3.51Å; M134-F163 VanDerWaalsContact SD-CE1 3.51Å; M134-F163 HydrophobicContact SD-CZ 4.23Å; F146-F163 HydrophobicContact CB-CE1 4.36Å; F146-F163 HydrophobicContact CB-CZ 4.2Å
164	G	98.8	Very high	98.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	-179.3	179.1	0	0	0	0	0	114.5	G57 F59 V132	G57-G164 CarbonylContact O-C 3.47Å; G57-G164 WeakPolarHBondContact O-CA 3.42Å; F59-G164 WeakPolarHBondContact CE2-O 3.16Å; V132-G164 PolarHBondContact N-O 3.16Å; V132-G164 PolarHBondContact O-N 2.61Å
165	K	98.8	Very high	98.6	Very high	56 Å²	56	43.4 Å²	43.4	24%	0.243	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	140.2	171.4	-169.8	-177.5	-178.9	178.7	0	109.9	I56 G57 F59 G130 W131 I167 V207	I56-K165 WeakPolarHBondContact CA-O 3.25Å; G57-K165 PolarHBondContact N-O 3.06Å; G57-K165 PolarHBondContact O-N 3.09Å; F59-K165 HydrophobicContact CZ-CB 3.88Å; G130-K165 CarbonylContact O-C 3.49Å; G130-K165 VanDerWaalsContact O-CA 3.3Å; G130-K165 WeakPolarHBondContact O-CA 3.32Å; G130-K165 WeakPolarHBondContact O-CG 3.36Å; W131-K165 HydrophobicContact CD2-CD 4.48Å; W131-K165 HydrophobicContact CD2-CG 4.47Å; W131-K165 HydrophobicContact CG-CG 4.48Å; W131-K165 HydrophobicContact CZ2-CD 4.27Å; K165-I167 PolarHBondContact O-N 3.15Å; K165-V207 HydrophobicContact CD-CG1 3.52Å
166	V	98.8	Very high	98.7	Very high	10 Å²	10	36.7 Å²	36.7	6%	0.061	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	121.7	168.3	-178	0	0	0	0	108.5	I54 V55 I56 G130 V132 I148 D168 M170 V173	I54-V166 HydrophobicContact CG2-CG1 4Å; I54-V166 HydrophobicContact CG2-CG2 4.09Å; V55-V166 WeakPolarHBondContact O-CA 3.42Å; I56-V166 HydrophobicContact CG1-CG2 4.37Å; G130-V166 PolarHBondContact O-N 3.46Å; V132-V166 HydrophobicContact CG2-CG2 4.23Å; I148-V166 HydrophobicContact CD1-CG2 4.08Å; I148-V166 HydrophobicContact CG2-CG2 3.72Å; V166-D168 WeakPolarHBondContact CG1-O 3.39Å; V166-M170 HydrophobicContact CB-CG 4.25Å; V166-M170 HydrophobicContact CB-SD 3.65Å; V166-M170 HydrophobicContact CG1-CG 3.77Å; V166-M170 HydrophobicContact CG1-SD 3.63Å; V166-M170 HydrophobicContact CG2-SD 4.01Å; V166-V173 HydrophobicContact CG2-CG2 4.32Å
167	I	98.3	Very high	98.7	Very high	59 Å²	59	36.6 Å²	36.6	30%	0.303	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-15.1	179.5	58.9	170.9	0	0	0	112.4	K39 V55 K165 F205	K39-I167 HydrophobicContact CD-CD1 3.64Å; K39-I167 HydrophobicContact CG-CD1 3.81Å; V55-I167 HydrophobicContact CB-CG1 4.09Å; V55-I167 HydrophobicContact CG1-CD1 3.84Å; V55-I167 HydrophobicContact CG1-CG1 3.8Å; V55-I167 WeakPolarHBondContact O-CG1 3.49Å; V55-I167 PolarHBondContact O-N 3.39Å; K165-I167 PolarHBondContact O-N 3.15Å; I167-F205 HydrophobicContact CD1-CZ 4.12Å
168	D	98.7	Very high	98.7	Very high	109 Å²	109	39.9 Å²	39.9	58%	0.583	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-155.1	152.4	172.6	-168.5	14.8	0	0	0	109.7	V55 V166	V55-D168 HydrophobicContact CB-CB 3.96Å; V55-D168 HydrophobicContact CG2-CB 4.08Å; V55-D168 PolarHBondContact N-O 3.39Å; V55-D168 PolarHBondContact O-N 2.78Å; V166-D168 WeakPolarHBondContact CG1-O 3.39Å
169	G	98.6	Very high	98.7	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	21%	0.209	C	C	.	.			trans	83.7	23.3	177.3	0	0	0	0	0	116	R53 T171 V172 V173	R53-G169 VanDerWaalsContact O-CA 3.3Å; R53-G169 WeakPolarHBondContact O-CA 3.34Å; G169-T171 PolarHBondContact O-N 2.82Å; G169-V172 VanDerWaalsContact O-CB 3.31Å; G169-V172 WeakPolarHBondContact O-CB 3.47Å; G169-V172 PolarHBondContact O-N 2.89Å; G169-V173 PolarHBondContact O-N 3.13Å
170	M	98.7	Very high	98.7	Very high	46 Å²	46	37.5 Å²	37.5	23%	0.227	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-27.9	172.7	-83.2	-57.6	-53.4	0	0	113	I129 V166 V172 V173 H174	I129-M170 HydrophobicContact CG2-CE 3.42Å; I129-M170 VanDerWaalsContact CG2-CE 3.42Å; I129-M170 HydrophobicContact CG2-SD 4.5Å; V166-M170 HydrophobicContact CB-CG 4.25Å; V166-M170 HydrophobicContact CB-SD 3.65Å; V166-M170 HydrophobicContact CG1-CG 3.77Å; V166-M170 HydrophobicContact CG1-SD 3.63Å; V166-M170 HydrophobicContact CG2-SD 4.01Å; M170-V172 PolarHBondContact O-N 2.77Å; M170-V173 HydrophobicContact CE-CB 4Å; M170-V173 HydrophobicContact CE-CG1 3.85Å; M170-V173 WeakPolarHBondContact O-CB 3.47Å; M170-V173 PolarHBondContact O-N 2.91Å; M170-V173 HydrophobicContact SD-CB 4.17Å; M170-V173 HydrophobicContact SD-CG1 4.33Å; M170-V173 HydrophobicContact SD-CG2 4.08Å; M170-H174 PolarHBondContact O-CD2 3.07Å; M170-H174 PolarHBondContact O-N 3.31Å
171	T	98.7	Very high	98.7	Very high	109 Å²	109	38.8 Å²	38.8	67%	0.669	22%	0.219	S	C	*	.	H	α-helix	trans	-61.4	-32.8	172.6	50.8	0	0	0	0	112.5	G169 S175	G169-T171 PolarHBondContact O-N 2.82Å; T171-S175 PolarHBondContact O-N 2.91Å; T171-S175 PolarHBondContact O-OG 2.98Å
172	V	98.9	Very high	98.7	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.036	23%	0.23	C	C	.	.	H	α-helix	trans	-71.8	-42.7	174.6	-174.6	0	0	0	0	110.4	V44 V51 I54 G169 M170 H174 S175 I176	V44-V172 HydrophobicContact CB-CG1 3.78Å; V44-V172 HydrophobicContact CG1-CG1 4.26Å; V44-V172 HydrophobicContact CG2-CG1 3.97Å; V51-V172 HydrophobicContact CG2-CG1 3.84Å; I54-V172 HydrophobicContact CD1-CB 4.45Å; I54-V172 HydrophobicContact CD1-CG1 4.14Å; I54-V172 HydrophobicContact CG1-CB 3.82Å; I54-V172 HydrophobicContact CG1-CG1 3.84Å; G169-V172 VanDerWaalsContact O-CB 3.31Å; G169-V172 WeakPolarHBondContact O-CB 3.47Å; G169-V172 PolarHBondContact O-N 2.89Å; M170-V172 PolarHBondContact O-N 2.77Å; V172-H174 VanDerWaalsContact C-N 3.33Å; V172-H174 PolarHBondContact O-N 3.13Å; V172-S175 WeakPolarHBondContact O-CB 3.43Å; V172-S175 PolarHBondContact O-N 3Å; V172-S175 VanDerWaalsContact O-N 3.08Å; V172-I176 WeakPolarHBondContact O-CG1 3.29Å; V172-I176 PolarHBondContact O-N 2.72Å; V172-I176 VanDerWaalsContact O-N 3.07Å
173	V	98.9	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.3	-47.5	173.3	174.4	0	0	0	0	110.7	I54 I96 I148 L150 V166 G169 M170 S175 I176 E177	I54-V173 HydrophobicContact CD1-CG2 3.72Å; I54-V173 HydrophobicContact CG1-CG2 4.03Å; I54-V173 HydrophobicContact CG2-CG2 4.21Å; I96-V173 HydrophobicContact CD1-CB 4.32Å; I96-V173 HydrophobicContact CD1-CG1 3.76Å; I96-V173 HydrophobicContact CD1-CG2 4.44Å; I96-V173 HydrophobicContact CG1-CG1 4.29Å; I148-V173 HydrophobicContact CD1-CG2 4.17Å; I148-V173 HydrophobicContact CG2-CG1 4.06Å; I148-V173 HydrophobicContact CG2-CG2 4.43Å; L150-V173 HydrophobicContact CD2-CG1 3.85Å; V166-V173 HydrophobicContact CG2-CG2 4.32Å; G169-V173 PolarHBondContact O-N 3.13Å; M170-V173 HydrophobicContact CE-CB 4Å; M170-V173 HydrophobicContact CE-CG1 3.85Å; M170-V173 WeakPolarHBondContact O-CB 3.47Å; M170-V173 PolarHBondContact O-N 2.91Å; M170-V173 HydrophobicContact SD-CB 4.17Å; M170-V173 HydrophobicContact SD-CG1 4.33Å; M170-V173 HydrophobicContact SD-CG2 4.08Å; V173-S175 VanDerWaalsContact C-N 3.31Å; V173-S175 PolarHBondContact O-N 2.81Å; V173-I176 WeakPolarHBondContact O-CB 3.31Å; V173-I176 PolarHBondContact O-N 3.31Å; V173-E177 PolarHBondContact O-N 3.05Å
174	H	98.8	Very high	98.6	Very high	67 Å²	67	51 Å²	51	31%	0.31	30%	0.298	S	S	.	.	H	α-helix	trans	-66.5	-31.1	175.7	-70.5	-57.8	0	0	0	113	M170 V172 I176 E177 L178	M170-H174 PolarHBondContact O-CD2 3.07Å; M170-H174 PolarHBondContact O-N 3.31Å; V172-H174 VanDerWaalsContact C-N 3.33Å; V172-H174 PolarHBondContact O-N 3.13Å; H174-I176 VanDerWaalsContact C-N 3.28Å; H174-I176 PolarHBondContact O-N 3.36Å; H174-E177 IonicContact CE1-OE2 3.2Å; H174-E177 IonicContact CG-OE2 3.15Å; H174-E177 IonicContact ND1-OE2 2.82Å; H174-E177 PolarHBondContact ND1-OE2 3.43Å; H174-E177 WeakPolarHBondContact O-CB 3.42Å; H174-E177 PolarHBondContact O-N 3.11Å; H174-L178 WeakPolarHBondContact O-CB 3.2Å; H174-L178 VanDerWaalsContact O-CG 3.26Å; H174-L178 WeakPolarHBondContact O-CG 3.29Å; H174-L178 PolarHBondContact O-N 3.42Å
175	S	98.8	Very high	98.6	Very high	46 Å²	46	53.4 Å²	53.4	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-35.5	173.6	-60.2	0	0	0	0	111.8	I46 T171 V172 V173 Q179	I46-S175 WeakPolarHBondContact CD1-O 3.47Å; T171-S175 PolarHBondContact O-N 2.91Å; T171-S175 PolarHBondContact O-OG 2.98Å; V172-S175 WeakPolarHBondContact O-CB 3.43Å; V172-S175 PolarHBondContact O-N 3Å; V172-S175 VanDerWaalsContact O-N 3.08Å; V173-S175 VanDerWaalsContact C-N 3.31Å; V173-S175 PolarHBondContact O-N 2.81Å; S175-Q179 PolarHBondContact O-NE2 3.39Å
176	I	98.9	Very high	98.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-70.1	-46.4	172.5	-59.4	162	0	0	0	110.2	V44 I46 I54 F87 V90 I96 V172 V173 H174 L178 Q179 C191	V44-I176 HydrophobicContact CG1-CD1 4.02Å; V44-I176 HydrophobicContact CG1-CG1 4.22Å; I46-I176 HydrophobicContact CD1-CG1 4.28Å; I54-I176 HydrophobicContact CD1-CD1 4.16Å; F87-I176 HydrophobicContact CB-CG2 4.16Å; F87-I176 HydrophobicContact CD2-CD1 3.77Å; F87-I176 HydrophobicContact CE1-CD1 4.45Å; F87-I176 HydrophobicContact CE2-CD1 3.59Å; F87-I176 HydrophobicContact CG-CD1 4.29Å; F87-I176 HydrophobicContact CG-CG2 4.26Å; F87-I176 HydrophobicContact CZ-CD1 3.96Å; V90-I176 HydrophobicContact CG2-CG2 3.78Å; I96-I176 HydrophobicContact CB-CG2 4.27Å; I96-I176 HydrophobicContact CD1-CB 4.09Å; I96-I176 HydrophobicContact CD1-CD1 3.63Å; I96-I176 HydrophobicContact CD1-CG1 4.5Å; I96-I176 HydrophobicContact CD1-CG2 4.06Å; I96-I176 HydrophobicContact CG2-CB 4.41Å; I96-I176 HydrophobicContact CG2-CG2 3.93Å; V172-I176 WeakPolarHBondContact O-CG1 3.29Å; V172-I176 PolarHBondContact O-N 2.72Å; V172-I176 VanDerWaalsContact O-N 3.07Å; V173-I176 WeakPolarHBondContact O-CB 3.31Å; V173-I176 PolarHBondContact O-N 3.31Å; H174-I176 VanDerWaalsContact C-N 3.28Å; H174-I176 PolarHBondContact O-N 3.36Å; I176-L178 PolarHBondContact O-N 3.2Å; I176-Q179 WeakPolarHBondContact O-CB 3.16Å; I176-Q179 WeakPolarHBondContact O-CG 3.24Å; I176-Q179 PolarHBondContact O-N 3.49Å; I176-Q179 VanDerWaalsContact O-N 3.13Å; I176-C191 HydrophobicContact CG1-CB 4.33Å; I176-C191 HydrophobicContact CG2-CB 4Å
177	E	98.8	Very high	98.6	Very high	17 Å²	17	56.9 Å²	56.9	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-53.4	-39.6	178.6	177.8	-177.8	-155.4	0	0	113.1	K92 D93 I96 L150 V173 H174 Q179	K92-E177 HydrophobicContact CB-CG 4.39Å; K92-E177 HydrophobicContact CG-CG 4.19Å; D93-E177 PolarHBondContact N-OE1 3.32Å; I96-E177 HydrophobicContact CG2-CB 4.47Å; L150-E177 HydrophobicContact CD1-CB 3.82Å; L150-E177 VanDerWaalsContact CD1-CD 3.4Å; L150-E177 HydrophobicContact CD1-CG 3.49Å; L150-E177 VanDerWaalsContact CD1-CG 3.49Å; L150-E177 WeakPolarHBondContact CD1-OE1 3.47Å; L150-E177 HydrophobicContact CD2-CB 4.33Å; L150-E177 HydrophobicContact CD2-CG 4.39Å; L150-E177 WeakPolarHBondContact CD2-OE2 3.02Å; V173-E177 PolarHBondContact O-N 3.05Å; H174-E177 IonicContact CE1-OE2 3.2Å; H174-E177 IonicContact CG-OE2 3.15Å; H174-E177 IonicContact ND1-OE2 2.82Å; H174-E177 PolarHBondContact ND1-OE2 3.43Å; H174-E177 WeakPolarHBondContact O-CB 3.42Å; H174-E177 PolarHBondContact O-N 3.11Å; E177-Q179 PolarHBondContact O-N 2.83Å
178	L	98.5	Very high	98.6	Very high	112 Å²	112	59.8 Å²	59.8	59%	0.586	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	1.4	-175.3	-67.8	173.4	0	0	0	114	H174 I176	H174-L178 WeakPolarHBondContact O-CB 3.2Å; H174-L178 VanDerWaalsContact O-CG 3.26Å; H174-L178 WeakPolarHBondContact O-CG 3.29Å; H174-L178 PolarHBondContact O-N 3.42Å; I176-L178 PolarHBondContact O-N 3.2Å
179	Q	98.6	Very high	98.6	Very high	50 Å²	50	57.4 Å²	57.4	23%	0.234	33%	0.329	C	S	.	.	S	Bend	trans	-69.1	141.5	174.5	-62.5	-48.3	-61.2	0	0	111.1	I46 S175 I176 E177 P187	I46-Q179 HydrophobicContact CD1-CG 4.21Å; I46-Q179 HydrophobicContact CG2-CG 4.13Å; S175-Q179 PolarHBondContact O-NE2 3.39Å; I176-Q179 WeakPolarHBondContact O-CB 3.16Å; I176-Q179 WeakPolarHBondContact O-CG 3.24Å; I176-Q179 PolarHBondContact O-N 3.49Å; I176-Q179 VanDerWaalsContact O-N 3.13Å; E177-Q179 PolarHBondContact O-N 2.83Å; Q179-P187 HydrophobicContact CB-CB 4.41Å
180	A	98.5	Very high	98.5	Very high	64 Å²	64	61.4 Å²	61.4	53%	0.529	35%	0.349	S	S	.	.			trans	-63.4	139.3	170.6	0	0	0	0	0	109.9	L188	A180-L188 HydrophobicContact CB-CD1 3.88Å; A180-L188 HydrophobicContact CB-CG 4.37Å; A180-L188 WeakPolarHBondContact O-CG 3.39Å; A180-L188 PolarHBondContact O-N 2.69Å
181	T	98.8	Very high	98.5	Very high	56 Å²	56	59.3 Å²	59.3	34%	0.344	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-118.7	158.1	179.7	58.9	0	0	0	0	111.7	V90 R186	V90-T181 HydrophobicContact CB-CG2 4.11Å; V90-T181 HydrophobicContact CG1-CG2 4.39Å; T181-R186 CarbonylContact C-O 3.39Å; T181-R186 WeakPolarHBondContact CA-O 3.32Å
182	D	98.2	Very high	98.6	Very high	44 Å²	44	55.6 Å²	55.6	24%	0.235	32%	0.317	C	S	.	.			trans	-79.8	-176.3	167.5	73.9	5.8	0	0	0	111.9	H184 D185 R186 L188	D182-H184 PolarHBondContact O-N 3.02Å; D182-H184 VanDerWaalsContact O-N 3.12Å; D182-H184 WeakPolarHBondContact OD1-CA 3.47Å; D182-H184 WeakPolarHBondContact OD1-CB 3.36Å; D182-H184 PolarHBondContact OD1-N 3.06Å; D182-D185 PolarHBondContact O-N 3.08Å; D182-D185 VanDerWaalsContact O-N 3.13Å; D182-D185 PolarHBondContact OD1-N 2.79Å; D182-R186 PolarHBondContact N-O 3.22Å; D182-R186 WeakPolarHBondContact OD1-CB 3.36Å; D182-R186 PolarHBondContact OD1-N 2.92Å; D182-R186 IonicContact OD1-NE 3.78Å; D182-R186 IonicContact OD2-CZ 3.21Å; D182-R186 IonicContact OD2-NE 2.73Å; D182-R186 PolarHBondContact OD2-NE 2.82Å; D182-R186 IonicContact OD2-NH2 3.6Å; D182-R186 PolarHBondContact OD2-NH2 2.86Å; D182-L188 HydrophobicContact CB-CD2 3.96Å
183	G	97.9	Very high	98.6	Very high	79 Å²	79	55.3 Å²	55.3	81%	0.814	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-2.5	178.5	0	0	0	0	0	115.4
184	H	97.4	Very high	98.5	Very high	136 Å²	136	57.6 Å²	57.6	63%	0.63	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	19.7	174.7	-61.3	-70.4	0	0	0	111.7	D182 R186	D182-H184 PolarHBondContact O-N 3.02Å; D182-H184 VanDerWaalsContact O-N 3.12Å; D182-H184 WeakPolarHBondContact OD1-CA 3.47Å; D182-H184 WeakPolarHBondContact OD1-CB 3.36Å; D182-H184 PolarHBondContact OD1-N 3.06Å; H184-R186 HydrophobicContact CB-CG 4.22Å; H184-R186 PolarHBondContact O-N 3.15Å
185	D	98.6	Very high	98.5	Very high	50 Å²	50	57.1 Å²	57.1	27%	0.267	33%	0.329	S	S	.	.	S	Bend	trans	62.1	18.6	-178.1	-48.5	-45.9	0	0	0	113.5	R89 V90 I91 D182	R89-D185 CarbonylContact C-O 3.51Å; R89-D185 WeakPolarHBondContact CA-O 3.34Å; R89-D185 HydrophobicContact CG-CB 3.79Å; R89-D185 IonicContact CZ-OD2 2.83Å; R89-D185 IonicContact NE-OD2 2.74Å; R89-D185 PolarHBondContact NE-OD2 3.36Å; R89-D185 IonicContact NH2-OD2 3.73Å; R89-D185 PolarHBondContact NH2-OD2 3.03Å; V90-D185 PolarHBondContact N-O 3.18Å; I91-D185 WeakPolarHBondContact CD1-OD2 3.14Å; I91-D185 HydrophobicContact CG1-CB 3.83Å; D182-D185 PolarHBondContact O-N 3.08Å; D182-D185 VanDerWaalsContact O-N 3.13Å; D182-D185 PolarHBondContact OD1-N 2.79Å
186	R	98.6	Very high	98.6	Very high	121 Å²	121	55.6 Å²	55.6	46%	0.457	32%	0.318	S	S	.	.			trans	-86.9	128.7	179.8	-57.5	-177.5	-65	-170.5	-2	109.8	H88 T181 D182 H184 L188	H88-R186 WeakPolarHBondContact O-CG 3.36Å; T181-R186 CarbonylContact C-O 3.39Å; T181-R186 WeakPolarHBondContact CA-O 3.32Å; D182-R186 PolarHBondContact N-O 3.22Å; D182-R186 WeakPolarHBondContact OD1-CB 3.36Å; D182-R186 PolarHBondContact OD1-N 2.92Å; D182-R186 IonicContact OD1-NE 3.78Å; D182-R186 IonicContact OD2-CZ 3.21Å; D182-R186 IonicContact OD2-NE 2.73Å; D182-R186 PolarHBondContact OD2-NE 2.82Å; D182-R186 IonicContact OD2-NH2 3.6Å; D182-R186 PolarHBondContact OD2-NH2 2.86Å; H184-R186 HydrophobicContact CB-CG 4.22Å; H184-R186 PolarHBondContact O-N 3.15Å; R186-L188 PolarHBondContact O-N 2.86Å
187	P	98.6	Very high	98.5	Very high	18 Å²	18	55.9 Å²	55.9	12%	0.117	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-56.3	130.2	175.3	-27.6	36.6	0	0	0	112.3	V90 Q179 T189	V90-P187 HydrophobicContact CB-CG 3.97Å; V90-P187 HydrophobicContact CG2-CG 3.47Å; V90-P187 VanDerWaalsContact CG2-CG 3.47Å; Q179-P187 HydrophobicContact CB-CB 4.41Å; P187-T189 VanDerWaalsContact CB-O 3.3Å; P187-T189 WeakPolarHBondContact CB-O 3.3Å; P187-T189 PolarHBondContact O-N 3.28Å
188	L	98.5	Very high	98.5	Very high	120 Å²	120	60.3 Å²	60.3	63%	0.628	34%	0.341	S	S	*	.	S	Bend	trans	-67.6	-28.2	174.7	-62.1	-177.3	0	0	0	111.7	A180 D182 R186	A180-L188 HydrophobicContact CB-CD1 3.88Å; A180-L188 HydrophobicContact CB-CG 4.37Å; A180-L188 WeakPolarHBondContact O-CG 3.39Å; A180-L188 PolarHBondContact O-N 2.69Å; D182-L188 HydrophobicContact CB-CD2 3.96Å; R186-L188 PolarHBondContact O-N 2.86Å
189	T	98.6	Very high	98.5	Very high	59 Å²	59	57.6 Å²	57.6	36%	0.362	33%	0.326	S	S	.	.	S	Bend	trans	-108.7	124.1	171.1	-58.5	0	0	0	0	108.9	I46 P187 C191	I46-T189 HydrophobicContact CG2-CG2 3.7Å; P187-T189 VanDerWaalsContact CB-O 3.3Å; P187-T189 WeakPolarHBondContact CB-O 3.3Å; P187-T189 PolarHBondContact O-N 3.28Å; T189-C191 PolarHBondContact O-N 3.47Å; T189-C191 PolarHBondContact O-SG 3.25Å
190	N	98.4	Very high	98	Very high	90 Å²	90	61.3 Å²	61.3	48%	0.481	35%	0.347	S	S	.	.			trans	-56.4	127.7	-178.3	-77	-26.6	0	0	0	111.3	I46 G47	I46-N190 CarbonylContact C-O 3.36Å; I46-N190 WeakPolarHBondContact CA-O 3.44Å; G47-N190 PolarHBondContact N-O 3.47Å
191	C	98.8	Very high	97.7	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.007	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	102.5	172.2	-63.6	0	0	0	0	108.2	R45 K86 F87 I176 T189	R45-C191 CarbonylContact O-C 3.04Å; R45-C191 WeakPolarHBondContact O-CA 3.21Å; K86-C191 CarbonylContact C-O 3.57Å; K86-C191 VanDerWaalsContact CA-O 3.24Å; K86-C191 WeakPolarHBondContact CA-O 3.4Å; K86-C191 VanDerWaalsContact CB-O 3.31Å; K86-C191 WeakPolarHBondContact CB-O 3.44Å; F87-C191 HydrophobicContact CB-CB 4.11Å; F87-C191 HydrophobicContact CD2-CB 4.14Å; F87-C191 WeakPolarHBondContact CD2-O 2.72Å; F87-C191 PolarHBondContact N-O 2.88Å; I176-C191 HydrophobicContact CG1-CB 4.33Å; I176-C191 HydrophobicContact CG2-CB 4Å; T189-C191 PolarHBondContact O-N 3.47Å; T189-C191 PolarHBondContact O-SG 3.25Å
192	S	98.8	Very high	97.2	Very high	31 Å²	31	67 Å²	67	22%	0.217	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144	-168.5	-65.5	0	0	0	0	112.6	V44 R45 S85 V194	V44-S192 WeakPolarHBondContact CA-O 3.34Å; R45-S192 PolarHBondContact N-O 3.27Å; R45-S192 PolarHBondContact O-N 3.32Å; S85-S192 WeakPolarHBondContact O-CA 3.28Å; S192-V194 PolarHBondContact O-N 3.33Å
193	I	98.9	Very high	96.8	Very high	0 Å²	0	70 Å²	70	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	96.7	169.2	-59.1	172.9	0	0	0	107	F42 D43 G84 S85 F87 F146 N195	F42-I193 HydrophobicContact CB-CG1 4.41Å; F42-I193 HydrophobicContact CB-CG2 4.02Å; F42-I193 HydrophobicContact CD1-CD1 4.15Å; F42-I193 HydrophobicContact CD1-CG2 3.79Å; F42-I193 HydrophobicContact CD2-CD1 4.1Å; F42-I193 HydrophobicContact CE1-CD1 4.32Å; F42-I193 HydrophobicContact CE2-CD1 4.24Å; F42-I193 HydrophobicContact CG-CD1 4.06Å; F42-I193 HydrophobicContact CG-CG1 4.36Å; F42-I193 HydrophobicContact CG-CG2 4.1Å; F42-I193 HydrophobicContact CZ-CD1 4.35Å; D43-I193 CarbonylContact O-C 3.54Å; G84-I193 PolarHBondContact N-O 2.9Å; S85-I193 PolarHBondContact O-N 2.83Å; F87-I193 HydrophobicContact CE2-CD1 4.22Å; F87-I193 HydrophobicContact CE2-CG1 3.77Å; F87-I193 HydrophobicContact CZ-CD1 4.18Å; F87-I193 HydrophobicContact CZ-CG1 4.18Å; F146-I193 HydrophobicContact CZ-CD1 4.25Å; I193-N195 VanDerWaalsContact C-N 3.35Å; I193-N195 WeakPolarHBondContact CG2-O 3.29Å
194	V	98.8	Very high	96.6	Very high	48 Å²	48	69.2 Å²	69.2	29%	0.291	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-21.4	-175.9	-66.9	0	0	0	0	112.7	D43 R45 K83 S192	D43-V194 HydrophobicContact CB-CG2 4.05Å; D43-V194 VanDerWaalsContact O-CG2 3.32Å; D43-V194 WeakPolarHBondContact O-CG2 3.32Å; D43-V194 PolarHBondContact O-N 2.92Å; R45-V194 HydrophobicContact CB-CG1 3.52Å; R45-V194 HydrophobicContact CB-CG2 4.39Å; R45-V194 HydrophobicContact CG-CG1 4.44Å; K83-V194 WeakPolarHBondContact CE-O 3.42Å; S192-V194 PolarHBondContact O-N 3.33Å
195	N	98.8	Very high	96.4	Very high	57 Å²	57	66.5 Å²	66.5	31%	0.305	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	150.4	172.6	-166.1	35.1	0	0	0	110.1	D43 I193	D43-N195 HydrophobicContact CB-CB 3.94Å; D43-N195 PolarHBondContact N-O 3.4Å; D43-N195 WeakPolarHBondContact OD2-CB 3.3Å; D43-N195 PolarHBondContact OD2-ND2 3.13Å; I193-N195 VanDerWaalsContact C-N 3.35Å; I193-N195 WeakPolarHBondContact CG2-O 3.29Å
196	S	98.9	Very high	96.2	Very high	14 Å²	14	66.8 Å²	66.8	10%	0.098	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160	179.3	60	0	0	0	0	110.6	F41 A74 K83	F41-S196 VanDerWaalsContact O-CA 3.26Å; F41-S196 WeakPolarHBondContact O-CA 3.48Å; A74-S196 CarbonylContact O-C 3.51Å; A74-S196 WeakPolarHBondContact O-CB 3.28Å; A74-S196 PolarHBondContact O-OG 3.38Å; K83-S196 PolarHBondContact N-OG 3.48Å
197	G	98.8	Very high	95.9	Very high	7 Å²	7	61.6 Å²	61.6	7%	0.072	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.1	-174.9	174.5	0	0	0	0	0	113.3	V40 F41 A74	V40-G197 CarbonylContact C-O 3.56Å; V40-G197 VanDerWaalsContact CA-O 3.25Å; V40-G197 WeakPolarHBondContact CA-O 3.18Å; F41-G197 VanDerWaalsContact CD1-O 3.29Å; F41-G197 WeakPolarHBondContact CD1-O 3.41Å; F41-G197 VanDerWaalsContact CE1-CA 3.41Å; F41-G197 PolarHBondContact N-O 2.83Å; F41-G197 PolarHBondContact O-N 3.48Å; A74-G197 WeakPolarHBondContact O-CA 3.5Å; A74-G197 PolarHBondContact O-N 3.46Å
198	K	98.5	Very high	95.6	Very high	110 Å²	110	66 Å²	66	48%	0.478	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	144.3	177.9	-176.7	-175.9	174	-172.9	0	110.7	K39 V71 T75	K39-K198 WeakPolarHBondContact O-CA 3.38Å; V71-K198 HydrophobicContact CG1-CB 4.36Å; V71-K198 HydrophobicContact CG1-CD 3.92Å; V71-K198 HydrophobicContact CG1-CG 4.26Å; T75-K198 HydrophobicContact CG2-CB 3.76Å
199	I	97.3	Very high	95.1	Very high	55 Å²	55	61 Å²	61	28%	0.282	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.9	166	-64.6	165.9	0	0	0	108.1	K39 F41 V55	K39-I199 HydrophobicContact CB-CB 3.83Å; K39-I199 HydrophobicContact CB-CG2 4.38Å; K39-I199 HydrophobicContact CD-CG2 4.29Å; K39-I199 PolarHBondContact N-O 2.97Å; K39-I199 PolarHBondContact O-N 3.2Å; F41-I199 HydrophobicContact CB-CD1 3.83Å; F41-I199 HydrophobicContact CB-CG1 4.5Å; F41-I199 HydrophobicContact CD1-CD1 4.05Å; F41-I199 HydrophobicContact CD1-CG1 3.83Å; F41-I199 HydrophobicContact CG-CD1 4.31Å; V55-I199 HydrophobicContact CG1-CD1 4.03Å; V55-I199 HydrophobicContact CG2-CD1 4.29Å
200	D	89.6	Confident	94.1	Very high	127 Å²	127	63.1 Å²	63.1	68%	0.679	35%	0.347	S	S	*	.			trans	-68	138.4	178.1	-69.7	-30.9	0	0	0	112.3
201	V	91.6	Very high	92.8	Very high	32 Å²	32	65 Å²	65	19%	0.194	36%	0.357	C	S	.	.			trans	-107.7	99.8	176	-178.7	0	0	0	0	108	K39 T203 F205	K39-V201 HydrophobicContact CB-CG2 4.12Å; K39-V201 HydrophobicContact CD-CG2 3.9Å; K39-V201 HydrophobicContact CG-CG2 3.61Å; V201-T203 VanDerWaalsContact C-N 3.26Å; V201-T203 WeakPolarHBondContact CG1-O 3.41Å; V201-T203 PolarHBondContact O-N 2.62Å; V201-F205 HydrophobicContact CG1-CE1 4.5Å
202	K	88	Confident	91.5	Very high	209 Å²	209	70.5 Å²	70.5	91%	0.909	38%	0.378	S	S	*	.	S	Bend	trans	-58.7	-38	-179.9	-67.3	-172.8	179.6	-177.2	0	112.7
203	T	90.3	Very high	91.1	Very high	105 Å²	105	72.5 Å²	72.5	64%	0.644	39%	0.386	S	S	*	.	S	Bend	trans	-143.9	125.4	178.6	-50.1	0	0	0	0	109	V201	V201-T203 VanDerWaalsContact C-N 3.26Å; V201-T203 WeakPolarHBondContact CG1-O 3.41Å; V201-T203 PolarHBondContact O-N 2.62Å
204	P	92.9	Very high	90.7	Very high	64 Å²	64	76.3 Å²	76.3	42%	0.416	41%	0.406	S	S	.	.			trans	-58.4	140.6	174.5	-24.1	33.9	0	0	0	111.5	S35 V36 T37	S35-P204 VanDerWaalsContact OG-CB 3.3Å; S35-P204 WeakPolarHBondContact OG-CB 3.44Å; V36-P204 VanDerWaalsContact O-CA 3.24Å; V36-P204 WeakPolarHBondContact O-CA 3.48Å; V36-P204 WeakPolarHBondContact O-CB 3.4Å; T37-P204 HydrophobicContact CG2-CB 4.41Å
205	F	93.8	Very high	90.3	Very high	79 Å²	79	77.9 Å²	77.9	35%	0.346	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.5	178.7	61.8	-85.4	0	0	0	110.5	S35 V36 K39 I167 V201	S35-F205 CarbonylContact C-O 3.52Å; S35-F205 WeakPolarHBondContact CA-O 3.4Å; V36-F205 HydrophobicContact CB-CD1 4.27Å; V36-F205 HydrophobicContact CB-CD2 4.42Å; V36-F205 HydrophobicContact CB-CE1 3.84Å; V36-F205 HydrophobicContact CB-CE2 4.02Å; V36-F205 HydrophobicContact CB-CZ 3.71Å; V36-F205 HydrophobicContact CG1-CE1 3.74Å; V36-F205 HydrophobicContact CG1-CE2 4.48Å; V36-F205 HydrophobicContact CG1-CZ 3.71Å; V36-F205 HydrophobicContact CG2-CD2 4.46Å; V36-F205 HydrophobicContact CG2-CE2 3.87Å; V36-F205 HydrophobicContact CG2-CZ 3.9Å; V36-F205 PolarHBondContact N-O 2.96Å; K39-F205 VanDerWaalsContact CE-CE1 3.48Å; I167-F205 HydrophobicContact CD1-CZ 4.12Å; V201-F205 HydrophobicContact CG1-CE1 4.5Å
206	V	94.4	Very high	89.8	Confident	55 Å²	55	79.1 Å²	79.1	33%	0.333	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.4	-176.6	175.4	0	0	0	0	110	K31	K31-V206 HydrophobicContact CB-CG1 4.34Å
207	V	92.9	Very high	89.2	Confident	13 Å²	13	83.2 Å²	83.2	8%	0.079	44%	0.439	C	S	.	.			trans	-85.1	113.9	161.8	167.8	0	0	0	0	106.9	G33 P34 V36 F59 W131 K165	G33-V207 WeakPolarHBondContact CA-O 3.33Å; P34-V207 PolarHBondContact O-N 3.12Å; V36-V207 HydrophobicContact CG2-CG2 3.66Å; F59-V207 HydrophobicContact CE1-CB 4.31Å; F59-V207 HydrophobicContact CE1-CG2 4.1Å; W131-V207 HydrophobicContact CZ2-CG1 4.44Å; K165-V207 HydrophobicContact CD-CG1 3.52Å
208	E	91.9	Very high	88.6	Confident	109 Å²	109	88.3 Å²	88.3	51%	0.509	46%	0.464	S	S	.	.			trans	-67.1	135.3	-177.9	-71.3	174.6	-139.6	0	0	111.8	K31 R32	K31-E208 HydrophobicContact CB-CG 3.84Å; K31-E208 HydrophobicContact CD-CG 4.2Å; K31-E208 WeakPolarHBondContact CD-OE1 3.04Å; K31-E208 WeakPolarHBondContact CE-OE1 3.35Å; K31-E208 HydrophobicContact CG-CG 3.95Å; K31-E208 WeakPolarHBondContact CG-OE1 3.35Å; K31-E208 IonicContact NZ-OE1 2.68Å; K31-E208 PolarHBondContact NZ-OE1 3.33Å; R32-E208 WeakPolarHBondContact O-CA 3.47Å
209	V	87.8	Confident	87.8	Confident	17 Å²	17	86.7 Å²	86.7	10%	0.103	46%	0.463	C	S	.	.			trans	-137.1	125	175.5	-178.2	0	0	0	0	107.3	R32 Y127 W131 D211 W212	R32-V209 PolarHBondContact O-N 2.74Å; Y127-V209 HydrophobicContact CD1-CG1 3.37Å; Y127-V209 HydrophobicContact CD2-CG1 4.16Å; Y127-V209 HydrophobicContact CD2-CG2 4.49Å; Y127-V209 HydrophobicContact CE1-CG1 3.53Å; Y127-V209 HydrophobicContact CE2-CG1 4.3Å; Y127-V209 HydrophobicContact CG-CG1 3.71Å; W131-V209 HydrophobicContact CH2-CG2 3.7Å; W131-V209 HydrophobicContact CZ2-CG2 3.64Å; V209-D211 VanDerWaalsContact C-N 3.26Å; V209-D211 PolarHBondContact O-N 2.85Å; V209-W212 HydrophobicContact CB-CB 4.07Å; V209-W212 HydrophobicContact CG1-CB 4.42Å
210	A	76.8	Confident	87.1	Confident	102 Å²	102	89.2 Å²	89.2	84%	0.843	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.7	-173.3	0	0	0	0	0	113.3
211	D	71.6	Confident	86.9	Confident	130 Å²	130	86 Å²	86	70%	0.695	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	37.8	-173.3	-52.1	-44.3	0	0	0	112.8	V209	V209-D211 VanDerWaalsContact C-N 3.26Å; V209-D211 PolarHBondContact O-N 2.85Å
212	W	71.2	Confident	86.5	Confident	117 Å²	117	90.9 Å²	90.9	44%	0.443	48%	0.484	S	S	.	.			trans	-82.3	0	179.2	-175.6	-93.9	0	0	0	114.4	R32 G33 P34 L124 Y127 V209	R32-W212 HydrophobicContact CB-CB 4.02Å; R32-W212 HydrophobicContact CB-CG 4.42Å; G33-W212 VanDerWaalsContact N-CD1 3.26Å; P34-W212 HydrophobicContact CB-CH2 4.34Å; P34-W212 HydrophobicContact CB-CZ2 4.46Å; L124-W212 HydrophobicContact CD2-CE3 4.33Å; L124-W212 HydrophobicContact CD2-CH2 3.36Å; L124-W212 HydrophobicContact CD2-CZ3 3.22Å; L124-W212 HydrophobicContact CG-CH2 3.86Å; L124-W212 HydrophobicContact CG-CZ3 3.98Å; Y127-W212 HydrophobicContact CE2-CE3 4.33Å; Y127-W212 HydrophobicContact CE2-CZ3 4.22Å; Y127-W212 AromaticContact CZ-CE3 3.94Å; Y127-W212 VanDerWaalsContact OH-CE3 3.28Å; Y127-W212 VanDerWaalsContact OH-CZ3 3.24Å; Y127-W212 WeakPolarHBondContact OH-CZ3 3.43Å; V209-W212 HydrophobicContact CB-CB 4.07Å; V209-W212 HydrophobicContact CG1-CB 4.42Å

Retrieved 212 of 212 residues in 206.5 ms (Link to these results)

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