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Acyl-coenzyme A thioesterase THEM4

AlphaFold DB , UniProt , Accession A0A096N413, Species PAPAN (Papio anubis, Olive baboon), Gene THEM4, Length 240 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	33.6	Very low	236 Å²	236	156.6 Å²	156.6	100%	1.163	82%	0.816	S	S	*	*				0	159.4	0	-71.4	173.2	170.2	0	0	109.1
2	L	32.3	Very low	33.4	Very low	164 Å²	164	157.5 Å²	157.5	86%	0.859	82%	0.821	S	S	*	*			trans	36	106.3	158.8	-59.6	165.8	0	0	0	117.7
3	R	32.7	Very low	33.1	Very low	236 Å²	236	150.8 Å²	150.8	89%	0.891	81%	0.814	S	S	*	*				49.8	99.9	66.7	-78	-163	173.8	-154.6	0.8	116.3
4	S	32.3	Very low	33.3	Very low	122 Å²	122	147.1 Å²	147.1	85%	0.853	81%	0.814	S	S	*	*			trans	-178.5	152.9	153.1	-90.7	0	0	0	0	111
5	C	32	Very low	33.3	Very low	117 Å²	117	147.5 Å²	147.5	79%	0.791	81%	0.813	S	S	*	*			cis	-164.5	153.1	-21.2	-148.2	0	0	0	0	112.3
6	A	35.2	Very low	33.2	Very low	95 Å²	95	153.2 Å²	153.2	79%	0.785	82%	0.819	S	S	*	*			trans	63.4	171.4	154.7	0	0	0	0	0	118.2
7	A	33.9	Very low	33.4	Very low	77 Å²	77	148.4 Å²	148.4	64%	0.636	81%	0.814	S	S	*	*			cis	-156.7	144.4	3.8	0	0	0	0	0	114
8	R	36.3	Very low	33.9	Very low	225 Å²	225	147.3 Å²	147.3	85%	0.849	82%	0.815	S	S	*	*			trans	60.9	160.2	135	-64.8	179.5	166.5	-141.2	-0.8	119.8
9	L	32.5	Very low	34.3	Very low	110 Å²	110	146.3 Å²	146.3	58%	0.576	82%	0.816	S	S	*	*			cis	-168.1	138.5	-18.2	-105.2	167.3	0	0	0	110.1
10	R	34.9	Very low	34.2	Very low	220 Å²	220	143.3 Å²	143.3	83%	0.83	82%	0.819	S	S	*	*			trans	59.4	165.3	150.3	-70.3	176.6	-173.3	-177.5	2.6	116.7
11	T	32.4	Very low	34	Very low	121 Å²	121	140 Å²	140	74%	0.742	82%	0.817	S	S	*	*			cis	-151.9	-173	-9.1	5.5	0	0	0	0	106.6
12	L	31.6	Very low	33.9	Very low	167 Å²	167	140.7 Å²	140.7	87%	0.874	81%	0.807	S	S	*	*			cis	-158.8	174.4	8.2	-135	172.3	0	0	0	108.1
13	G	29.1	Very low	34	Very low	71 Å²	71	144.9 Å²	144.9	73%	0.732	81%	0.811	S	S	*	*			trans	125.3	123.4	155.1	0	0	0	0	0	116.2
14	A	35.7	Very low	34.2	Very low	99 Å²	99	141.3 Å²	141.3	82%	0.818	81%	0.809	S	S	*	*			trans	-131.3	151	170.9	0	0	0	0	0	109.7
15	L	33.5	Very low	34.5	Very low	153 Å²	153	141.3 Å²	141.3	80%	0.801	81%	0.806	S	S	*	*			trans	-157.5	132.5	167.6	-106.5	173.5	0	0	0	112.9
16	R	32.7	Very low	34.7	Very low	238 Å²	238	139.7 Å²	139.7	90%	0.898	81%	0.809	S	S	*	*			trans	29.2	133.3	154.5	-69.1	174.9	179.7	175	-1.7	121.3
17	G	36.2	Very low	34.7	Very low	71 Å²	71	146.8 Å²	146.8	73%	0.732	82%	0.815	S	S	*	*			trans	-114.3	157.9	154.8	0	0	0	0	0	112.7
18	P	41.7	Very low	35.1	Very low	129 Å²	129	151.6 Å²	151.6	84%	0.838	82%	0.824	S	S	*	*			trans	-104.1	171.9	169.9	38.3	-30.9	0	0	0	113.1
19	P	41.8	Very low	35.3	Very low	128 Å²	128	146.7 Å²	146.7	83%	0.831	82%	0.822	S	S	*	*			trans	-107.9	157.1	-159.6	39.3	-34.7	0	0	0	117.2
20	G	32	Very low	35.6	Very low	86 Å²	86	152.5 Å²	152.5	89%	0.887	84%	0.836	S	S	*	*			trans	70.6	103.5	138.5	0	0	0	0	0	120
21	G	30	Very low	35.9	Very low	75 Å²	75	147.9 Å²	147.9	77%	0.773	84%	0.835	S	S	*	*			trans	-167	99.9	169.8	0	0	0	0	0	116.1
22	R	32.8	Very low	36.3	Very low	251 Å²	251	146.4 Å²	146.4	95%	0.947	84%	0.835	S	S	*	*			trans	46	126.6	157.9	-62.9	-177.9	177.1	-178.9	-1.3	119.7
23	R	34.4	Very low	36.6	Very low	252 Å²	252	146.6 Å²	146.6	95%	0.951	84%	0.836	S	S	*	*			trans	-65.9	143.6	165.6	-66	179.6	177.1	-178.9	-1.8	111.1
24	L	37.5	Very low	37	Very low	161 Å²	161	153.6 Å²	153.6	84%	0.843	84%	0.84	S	S	*	*			trans	-105.4	149.5	157.8	-70.8	171.5	0	0	0	109.1
25	P	37.7	Very low	37.1	Very low	122 Å²	122	154.3 Å²	154.3	79%	0.792	84%	0.839	S	S	*	*			trans	-68.2	153.8	-178.5	28.6	-34.7	0	0	0	112.1
26	G	36.2	Very low	37.2	Very low	82 Å²	82	156.2 Å²	156.2	85%	0.845	84%	0.841	S	S	*	*			trans	-64.9	137.6	-172.4	0	0	0	0	0	113.6
27	R	36.3	Very low	37.6	Very low	244 Å²	244	149.9 Å²	149.9	92%	0.921	83%	0.834	S	S	*	*			trans	-98	113	162.3	-163.9	-177.1	-157.1	-174.5	8.1	106.7
28	E	41	Very low	37.8	Very low	178 Å²	178	151.2 Å²	151.2	83%	0.832	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-58.7	145.2	-178.7	-67.3	-165.4	142.6	0	0	111.5	R30	E28-R30 PolarHBondContact O-N 3.36Å; E28-R30 VanDerWaalsContact O-N 3.15Å
29	P	40.9	Very low	37.7	Very low	123 Å²	123	153.4 Å²	153.4	80%	0.799	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-63	118.2	169.2	-12.3	27	0	0	0	108
30	R	39.8	Very low	37.8	Very low	231 Å²	231	156 Å²	156	87%	0.872	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-53.2	128.6	166.3	-75	-179.4	170.5	-179.3	-5.1	107.4	E28 A32	E28-R30 PolarHBondContact O-N 3.36Å; E28-R30 VanDerWaalsContact O-N 3.15Å; R30-A32 PolarHBondContact O-N 3.36Å; R30-A32 VanDerWaalsContact O-N 3.14Å
31	P	40	Very low	39	Very low	123 Å²	123	158 Å²	158	80%	0.799	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-57	126.1	175.2	23.9	-32.6	0	0	0	107.8	L33	P31-L33 PolarHBondContact O-N 3.13Å; P31-L33 VanDerWaalsContact O-N 3.13Å
32	A	41.7	Very low	40.7	Very low	91 Å²	91	162 Å²	162	75%	0.752	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-55.9	124	176.1	0	0	0	0	0	107.7	R30 R34	R30-A32 PolarHBondContact O-N 3.36Å; R30-A32 VanDerWaalsContact O-N 3.14Å; A32-R34 PolarHBondContact O-N 3.05Å
33	L	38.5	Very low	43.1	Very low	171 Å²	171	153.8 Å²	153.8	90%	0.895	80%	0.803	S	S	*	*			trans	-57.7	108.7	179.5	-170.7	75.3	0	0	0	106.8	P31 S35	P31-L33 PolarHBondContact O-N 3.13Å; P31-L33 VanDerWaalsContact O-N 3.13Å; L33-S35 PolarHBondContact O-N 3.14Å
34	R	37.8	Very low	45.9	Very low	217 Å²	217	146.5 Å²	146.5	82%	0.819	78%	0.778	S	S	*	*			trans	-61.4	108.1	178.5	-78.4	-172.4	175.8	-173	-0.8	106.6	A32 F36	A32-R34 PolarHBondContact O-N 3.05Å; R34-F36 VanDerWaalsContact C-N 3.33Å; R34-F36 PolarHBondContact O-N 3.15Å
35	S	37.3	Very low	48.7	Very low	114 Å²	114	140.1 Å²	140.1	80%	0.797	75%	0.745	S	S	*	*			trans	-57	105.6	163.1	175.8	0	0	0	0	105.8	L33 S37	L33-S35 PolarHBondContact O-N 3.14Å; S35-S37 VanDerWaalsContact C-N 3.28Å; S35-S37 PolarHBondContact O-N 3.05Å
36	F	36.1	Very low	51.5	Low	193 Å²	193	136.3 Å²	136.3	85%	0.846	72%	0.715	S	S	*	*			trans	-64.8	101.8	163.9	-79.7	-92.2	0	0	0	105.2	R34 S38	R34-F36 VanDerWaalsContact C-N 3.33Å; R34-F36 PolarHBondContact O-N 3.15Å; F36-S38 VanDerWaalsContact C-N 3.25Å; F36-S38 PolarHBondContact O-N 3.17Å
37	S	39.5	Very low	54.5	Low	105 Å²	105	132.5 Å²	132.5	73%	0.734	68%	0.676	S	S	*	*			trans	-60	100.1	160.2	-174.6	0	0	0	0	105.5	S35 E39	S35-S37 VanDerWaalsContact C-N 3.28Å; S35-S37 PolarHBondContact O-N 3.05Å; S37-E39 PolarHBondContact O-N 2.6Å
38	S	42	Very low	57.4	Low	100 Å²	100	123.5 Å²	123.5	70%	0.699	65%	0.648	S	S	*	*			trans	-56.9	112.8	167.7	47.8	0	0	0	0	106.7	F36 E40	F36-S38 VanDerWaalsContact C-N 3.25Å; F36-S38 PolarHBondContact O-N 3.17Å; S38-E40 PolarHBondContact O-N 3.35Å; S38-E40 VanDerWaalsContact O-N 3.13Å
39	E	38.2	Very low	60.2	Low	175 Å²	175	117.6 Å²	117.6	82%	0.818	63%	0.625	S	S	*	*			trans	-55.9	120.7	172.2	-64.6	-178.3	139	0	0	107.5	S37 V41	S37-E39 PolarHBondContact O-N 2.6Å; E39-V41 PolarHBondContact O-N 2.85Å
40	E	43.8	Very low	62.9	Low	181 Å²	181	112.6 Å²	112.6	85%	0.846	59%	0.591	S	S	*	*			trans	-63	107.3	174.4	-74.1	-171.9	122.7	0	0	107.7	S38 I42	S38-E40 PolarHBondContact O-N 3.35Å; S38-E40 VanDerWaalsContact O-N 3.13Å; E40-I42 VanDerWaalsContact C-N 3.29Å; E40-I42 WeakPolarHBondContact O-CG1 3.33Å; E40-I42 PolarHBondContact O-N 3.23Å
41	V	57.6	Low	65.7	Low	128 Å²	128	107.6 Å²	107.6	78%	0.776	59%	0.589	S	S	*	*			trans	-70.2	90.1	179.7	-179.1	0	0	0	0	108	E39 L43	E39-V41 PolarHBondContact O-N 2.85Å; V41-L43 PolarHBondContact O-N 2.96Å
42	I	65.3	Low	68.5	Low	159 Å²	159	103.5 Å²	103.5	82%	0.815	56%	0.563	S	S	*	*			trans	-60.5	103	-179.4	-55.9	-178.8	0	0	0	108.8	E40 K44	E40-I42 VanDerWaalsContact C-N 3.29Å; E40-I42 WeakPolarHBondContact O-CG1 3.33Å; E40-I42 PolarHBondContact O-N 3.23Å; I42-K44 VanDerWaalsContact C-N 3.34Å; I42-K44 PolarHBondContact O-N 3.39Å
43	L	84.4	Confident	71.2	Confident	80 Å²	80	99.4 Å²	99.4	42%	0.419	53%	0.528	S	S	.	.			trans	-70.3	85.7	177.2	-85	158.4	0	0	0	109.9	V41 D45 Y79 P83	V41-L43 PolarHBondContact O-N 2.96Å; L43-D45 PolarHBondContact O-N 3.48Å; L43-D45 VanDerWaalsContact O-N 3.1Å; L43-Y79 HydrophobicContact CB-CD1 3.83Å; L43-Y79 HydrophobicContact CB-CE1 3.79Å; L43-Y79 HydrophobicContact CD2-CD1 3.96Å; L43-Y79 HydrophobicContact CD2-CD2 4.43Å; L43-Y79 HydrophobicContact CD2-CG 3.89Å; L43-Y79 HydrophobicContact CG-CD1 4.5Å; L43-Y79 WeakPolarHBondContact O-CE1 3.29Å; L43-P83 HydrophobicContact CD1-CB 4.12Å; L43-P83 HydrophobicContact CD1-CG 4.05Å; L43-P83 HydrophobicContact CD2-CG 4.36Å
44	K	92.6	Very high	74.1	Confident	98 Å²	98	93.2 Å²	93.2	43%	0.426	50%	0.496	S	S	.	.			trans	-54.5	117	170.7	175.4	-178.3	169	-166.6	0	108.8	I42 Y46 Y79 D117	I42-K44 VanDerWaalsContact C-N 3.34Å; I42-K44 PolarHBondContact O-N 3.39Å; K44-Y46 HydrophobicContact CB-CD2 4.47Å; K44-Y46 HydrophobicContact CB-CE2 3.91Å; K44-Y46 HydrophobicContact CD-CD1 4.5Å; K44-Y46 HydrophobicContact CD-CD2 4.3Å; K44-Y46 HydrophobicContact CD-CE1 3.98Å; K44-Y46 HydrophobicContact CD-CE2 3.73Å; K44-Y46 HydrophobicContact CG-CD2 4.03Å; K44-Y46 HydrophobicContact CG-CE2 3.71Å; K44-Y46 WeakPolarHBondContact O-CD2 3.18Å; K44-Y46 WeakPolarHBondContact O-CE2 3.4Å; K44-Y79 WeakPolarHBondContact O-CD1 3.35Å; K44-D117 IonicContact NZ-OD1 2.71Å; K44-D117 IonicContact NZ-OD2 3.52Å; K44-D117 PolarHBondContact NZ-OD2 2.93Å
45	D	95.9	Very high	76.9	Confident	28 Å²	28	91.5 Å²	91.5	15%	0.15	50%	0.495	C	S	.	.			trans	-73.6	132	165.8	-172.3	3.8	0	0	0	109.6	L43 S47 R75 P77 S78 Y79	L43-D45 PolarHBondContact O-N 3.48Å; L43-D45 VanDerWaalsContact O-N 3.1Å; D45-S47 WeakPolarHBondContact OD1-CB 3.27Å; D45-S47 PolarHBondContact OD1-N 2.89Å; D45-R75 IonicContact OD1-NH1 3.22Å; D45-R75 IonicContact OD2-CZ 2.7Å; D45-R75 IonicContact OD2-NH1 2.83Å; D45-R75 PolarHBondContact OD2-NH1 3.02Å; D45-R75 IonicContact OD2-NH2 3.93Å; D45-R75 PolarHBondContact OD2-NH2 3.18Å; D45-P77 HydrophobicContact CB-CB 4.4Å; D45-P77 VanDerWaalsContact OD1-CA 3.3Å; D45-P77 WeakPolarHBondContact OD1-CA 3.29Å; D45-P77 VanDerWaalsContact OD2-CB 3.32Å; D45-P77 WeakPolarHBondContact OD2-CB 3.48Å; D45-S78 CarbonylContact C-O 3.54Å; D45-S78 WeakPolarHBondContact CA-O 3.43Å; D45-S78 PolarHBondContact OD1-N 2.81Å; D45-Y79 HydrophobicContact CB-CE1 4.24Å
46	Y	97.3	Very high	79.9	Confident	41 Å²	41	89.4 Å²	89.4	16%	0.161	48%	0.475	C	S	.	.	S	Bend	trans	-107.7	-1	177.3	-70.7	-103.4	0	0	0	112.1	K44 V48 S78 K80 R113	K44-Y46 HydrophobicContact CB-CD2 4.47Å; K44-Y46 HydrophobicContact CB-CE2 3.91Å; K44-Y46 HydrophobicContact CD-CD1 4.5Å; K44-Y46 HydrophobicContact CD-CD2 4.3Å; K44-Y46 HydrophobicContact CD-CE1 3.98Å; K44-Y46 HydrophobicContact CD-CE2 3.73Å; K44-Y46 HydrophobicContact CG-CD2 4.03Å; K44-Y46 HydrophobicContact CG-CE2 3.71Å; K44-Y46 WeakPolarHBondContact O-CD2 3.18Å; K44-Y46 WeakPolarHBondContact O-CE2 3.4Å; Y46-V48 PolarHBondContact O-N 2.7Å; Y46-S78 PolarHBondContact N-O 2.86Å; Y46-K80 HydrophobicContact CD2-CG 4.35Å; Y46-K80 HydrophobicContact CE1-CD 4.36Å; Y46-K80 HydrophobicContact CE1-CG 4.27Å; Y46-K80 HydrophobicContact CE2-CB 4.21Å; Y46-K80 HydrophobicContact CE2-CD 4.39Å; Y46-K80 HydrophobicContact CE2-CG 3.72Å; Y46-K80 WeakPolarHBondContact OH-CD 3.45Å; Y46-K80 WeakPolarHBondContact OH-CE 3.39Å; Y46-R113 VanDerWaalsContact C-NH2 3.34Å; Y46-R113 PolarHBondContact O-NH1 3.22Å; Y46-R113 VanDerWaalsContact O-NH1 3.11Å; Y46-R113 PolarHBondContact O-NH2 3.48Å; Y46-R113 VanDerWaalsContact O-NH2 3.11Å
47	S	98.1	Very high	82.8	Confident	2 Å²	2	80.2 Å²	80.2	1%	0.014	43%	0.434	C	S	.	.	S	Bend	trans	-88.2	34.7	172.1	-71.7	0	0	0	0	112.3	D45 R75 L76 S78 R113	D45-S47 WeakPolarHBondContact OD1-CB 3.27Å; D45-S47 PolarHBondContact OD1-N 2.89Å; S47-R75 PolarHBondContact O-NH1 3.45Å; S47-L76 VanDerWaalsContact CB-O 3.28Å; S47-L76 WeakPolarHBondContact CB-O 3.14Å; S47-L76 PolarHBondContact OG-O 3.42Å; S47-S78 WeakPolarHBondContact OG-CB 3.47Å; S47-S78 PolarHBondContact OG-N 3.04Å; S47-R113 PolarHBondContact OG-NH2 2.74Å
48	V	98.3	Very high	85.7	Confident	55 Å²	55	79.1 Å²	79.1	33%	0.333	41%	0.414	S	S	.	.	S	Bend	trans	-133.6	152.3	179.9	-64.5	0	0	0	0	110.5	Y46 N50 W53	Y46-V48 PolarHBondContact O-N 2.7Å; V48-N50 PolarHBondContact O-N 2.73Å; V48-N50 VanDerWaalsContact O-N 3.14Å; V48-W53 WeakPolarHBondContact O-CZ2 3.27Å
49	P	98.5	Very high	88.4	Confident	54 Å²	54	78.9 Å²	78.9	35%	0.351	40%	0.404	S	S	.	.			trans	-60.9	116.1	-173.9	-23	32	0	0	0	113.9	W53 F61	P49-W53 HydrophobicContact CB-CD2 4.22Å; P49-W53 HydrophobicContact CB-CE3 3.77Å; P49-W53 HydrophobicContact CB-CZ3 4.08Å; P49-W53 HydrophobicContact CG-CE3 3.83Å; P49-W53 HydrophobicContact CG-CH2 4.35Å; P49-W53 HydrophobicContact CG-CZ3 3.65Å; P49-F61 HydrophobicContact CG-CD1 3.76Å; P49-F61 HydrophobicContact CG-CE1 3.62Å; P49-F61 HydrophobicContact CG-CE2 4.44Å; P49-F61 HydrophobicContact CG-CG 4.26Å; P49-F61 HydrophobicContact CG-CZ 3.98Å
50	N	98.4	Very high	91.2	Very high	18 Å²	18	71.1 Å²	71.1	10%	0.096	37%	0.368	C	S	.	.			trans	-103.6	174.3	168.5	77	58.4	0	0	0	110.4	V48 S52 W53 R58 E122	V48-N50 PolarHBondContact O-N 2.73Å; V48-N50 VanDerWaalsContact O-N 3.14Å; N50-S52 PolarHBondContact O-N 3.13Å; N50-S52 VanDerWaalsContact O-N 3.16Å; N50-S52 WeakPolarHBondContact OD1-CB 3.39Å; N50-S52 PolarHBondContact OD1-N 2.88Å; N50-S52 PolarHBondContact OD1-OG 3.08Å; N50-W53 PolarHBondContact ND2-NE1 2.96Å; N50-W53 PolarHBondContact O-N 2.91Å; N50-R58 PolarHBondContact O-NH2 3.44Å; N50-E122 PolarHBondContact ND2-OE1 2.97Å; N50-E122 PolarHBondContact ND2-OE2 2.91Å
51	P	98.6	Very high	93.9	Very high	126 Å²	126	63.4 Å²	63.4	82%	0.818	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.3	-176	-27.7	37.1	0	0	0	115.7	W53 R58	P51-W53 PolarHBondContact O-N 2.89Å; P51-R58 PolarHBondContact O-NH2 2.81Å
52	S	98.5	Very high	95.8	Very high	37 Å²	37	61.9 Å²	61.9	26%	0.259	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.7	-176.8	73.8	0	0	0	0	115.1	N50 N54 G118 E122 Q139	N50-S52 PolarHBondContact O-N 3.13Å; N50-S52 VanDerWaalsContact O-N 3.16Å; N50-S52 WeakPolarHBondContact OD1-CB 3.39Å; N50-S52 PolarHBondContact OD1-N 2.88Å; N50-S52 PolarHBondContact OD1-OG 3.08Å; S52-N54 PolarHBondContact O-N 3.25Å; S52-G118 WeakPolarHBondContact OG-CA 3.34Å; S52-G118 PolarHBondContact OG-N 3.43Å; S52-E122 PolarHBondContact OG-OE1 3.26Å; S52-Q139 PolarHBondContact O-NE2 3.28Å
53	W	98.7	Very high	97.4	Very high	5 Å²	5	58.9 Å²	58.9	2%	0.019	30%	0.302	C	S	.	.			trans	-65.1	126	-179.9	-71.7	23.3	0	0	0	109.5	V48 P49 N50 P51 L57 R58 F61 E122 V124	V48-W53 WeakPolarHBondContact O-CZ2 3.27Å; P49-W53 HydrophobicContact CB-CD2 4.22Å; P49-W53 HydrophobicContact CB-CE3 3.77Å; P49-W53 HydrophobicContact CB-CZ3 4.08Å; P49-W53 HydrophobicContact CG-CE3 3.83Å; P49-W53 HydrophobicContact CG-CH2 4.35Å; P49-W53 HydrophobicContact CG-CZ3 3.65Å; N50-W53 PolarHBondContact ND2-NE1 2.96Å; N50-W53 PolarHBondContact O-N 2.91Å; P51-W53 PolarHBondContact O-N 2.89Å; W53-L57 HydrophobicContact CB-CD2 4.08Å; W53-L57 HydrophobicContact CB-CG 4.46Å; W53-L57 HydrophobicContact CD2-CD2 3.46Å; W53-L57 VanDerWaalsContact CD2-CD2 3.46Å; W53-L57 HydrophobicContact CD2-CG 3.82Å; W53-L57 HydrophobicContact CE3-CD2 3.86Å; W53-L57 HydrophobicContact CE3-CG 3.65Å; W53-L57 HydrophobicContact CG-CD2 3.57Å; W53-L57 HydrophobicContact CG-CG 4.2Å; W53-L57 HydrophobicContact CZ2-CD2 4.47Å; W53-L57 HydrophobicContact CZ3-CG 4.17Å; W53-R58 HydrophobicContact CB-CG 4.1Å; W53-R58 PolarHBondContact O-NE 3.08Å; W53-R58 PolarHBondContact O-NH2 3.38Å; W53-F61 HydrophobicContact CH2-CD2 4.04Å; W53-F61 HydrophobicContact CH2-CE2 4.44Å; W53-F61 HydrophobicContact CZ3-CB 3.91Å; W53-F61 AromaticContact CZ3-CD2 3.74Å; W53-F61 HydrophobicContact CZ3-CD2 3.74Å; W53-F61 HydrophobicContact CZ3-CE2 4.39Å; W53-F61 AromaticContact CZ3-CG 3.84Å; W53-F61 HydrophobicContact CZ3-CG 3.84Å; W53-E122 PolarHBondContact NE1-OE2 2.93Å; W53-V124 HydrophobicContact CH2-CB 3.91Å; W53-V124 HydrophobicContact CH2-CG1 3.77Å; W53-V124 HydrophobicContact CZ3-CG1 4.26Å
54	N	98.4	Very high	98	Very high	42 Å²	42	55.8 Å²	55.8	23%	0.225	29%	0.285	C	S	.	.			trans	-72.2	-178.7	177.5	84.4	8.5	0	0	0	111	S52 D56 L57 R58 Q139 C191 V193	S52-N54 PolarHBondContact O-N 3.25Å; N54-D56 VanDerWaalsContact C-N 3.34Å; N54-D56 PolarHBondContact O-N 3.26Å; N54-D56 PolarHBondContact OD1-N 2.77Å; N54-L57 PolarHBondContact OD1-N 2.87Å; N54-R58 VanDerWaalsContact O-CG 3.31Å; N54-R58 WeakPolarHBondContact O-CG 3.48Å; N54-R58 PolarHBondContact O-N 2.87Å; N54-Q139 VanDerWaalsContact CG-OE1 3.29Å; N54-C191 PolarHBondContact ND2-O 3.46Å; N54-V193 WeakPolarHBondContact ND2-CG2 3.35Å; N54-V193 VanDerWaalsContact OD1-CG2 3.31Å; N54-V193 WeakPolarHBondContact OD1-CG2 3.47Å
55	K	98.5	Very high	98.3	Very high	180 Å²	180	54.5 Å²	54.5	78%	0.783	28%	0.282	S	S	*	.	H	α-helix	trans	-65.6	-36.9	-177.4	-67.6	179.9	179.5	177.7	0	112.7	R58 L59	K55-R58 PolarHBondContact O-N 2.83Å; K55-L59 WeakPolarHBondContact O-CB 3.35Å; K55-L59 PolarHBondContact O-N 2.93Å
56	D	98.4	Very high	98.5	Very high	71 Å²	71	59.8 Å²	59.8	38%	0.38	30%	0.303	S	S	.	.	H	α-helix	trans	-76.8	-39.3	-172.4	-43.4	-44.9	0	0	0	111.2	N54 R58 L59 L60 V193 V217	N54-D56 VanDerWaalsContact C-N 3.34Å; N54-D56 PolarHBondContact O-N 3.26Å; N54-D56 PolarHBondContact OD1-N 2.77Å; D56-R58 VanDerWaalsContact C-N 3.32Å; D56-R58 PolarHBondContact O-N 3.15Å; D56-L59 PolarHBondContact O-N 2.83Å; D56-L60 WeakPolarHBondContact O-CB 3.24Å; D56-L60 WeakPolarHBondContact O-CG 3.26Å; D56-L60 PolarHBondContact O-N 3.43Å; D56-V193 HydrophobicContact CB-CB 4.34Å; D56-V193 HydrophobicContact CB-CG2 4.3Å; D56-V217 HydrophobicContact CB-CG1 4.49Å; D56-V217 HydrophobicContact CB-CG2 4.05Å
57	L	98.8	Very high	98.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-38.6	173.9	-177.6	57.1	0	0	0	111.4	W53 N54 F61 E122 V124 L137 Q139 V193	W53-L57 HydrophobicContact CB-CD2 4.08Å; W53-L57 HydrophobicContact CB-CG 4.46Å; W53-L57 HydrophobicContact CD2-CD2 3.46Å; W53-L57 VanDerWaalsContact CD2-CD2 3.46Å; W53-L57 HydrophobicContact CD2-CG 3.82Å; W53-L57 HydrophobicContact CE3-CD2 3.86Å; W53-L57 HydrophobicContact CE3-CG 3.65Å; W53-L57 HydrophobicContact CG-CD2 3.57Å; W53-L57 HydrophobicContact CG-CG 4.2Å; W53-L57 HydrophobicContact CZ2-CD2 4.47Å; W53-L57 HydrophobicContact CZ3-CG 4.17Å; N54-L57 PolarHBondContact OD1-N 2.87Å; L57-F61 WeakPolarHBondContact O-CB 3.29Å; L57-F61 PolarHBondContact O-N 3.36Å; L57-E122 HydrophobicContact CD2-CB 4.39Å; L57-V124 HydrophobicContact CD1-CG1 4.49Å; L57-L137 HydrophobicContact CD1-CB 3.5Å; L57-L137 HydrophobicContact CD1-CD1 4.44Å; L57-Q139 HydrophobicContact CD2-CB 3.81Å; L57-V193 HydrophobicContact CB-CG1 4.38Å; L57-V193 HydrophobicContact CB-CG2 3.77Å; L57-V193 HydrophobicContact CD1-CG1 4.46Å
58	R	98.8	Very high	98.5	Very high	82 Å²	82	63.1 Å²	63.1	31%	0.309	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-47.6	173.4	-67.4	173.3	-162	-81.2	-4.1	111.6	N50 P51 W53 N54 K55 D56 L60 F61 D62	N50-R58 PolarHBondContact O-NH2 3.44Å; P51-R58 PolarHBondContact O-NH2 2.81Å; W53-R58 HydrophobicContact CB-CG 4.1Å; W53-R58 PolarHBondContact O-NE 3.08Å; W53-R58 PolarHBondContact O-NH2 3.38Å; N54-R58 VanDerWaalsContact O-CG 3.31Å; N54-R58 WeakPolarHBondContact O-CG 3.48Å; N54-R58 PolarHBondContact O-N 2.87Å; K55-R58 PolarHBondContact O-N 2.83Å; D56-R58 VanDerWaalsContact C-N 3.32Å; D56-R58 PolarHBondContact O-N 3.15Å; R58-L60 PolarHBondContact O-N 3.3Å; R58-F61 WeakPolarHBondContact O-CB 3.49Å; R58-F61 PolarHBondContact O-N 3.07Å; R58-F61 VanDerWaalsContact O-N 3.14Å; R58-D62 VanDerWaalsContact O-CG 3.32Å; R58-D62 PolarHBondContact O-N 3.01Å
59	L	98.4	Very high	98.4	Very high	94 Å²	94	67.6 Å²	67.6	49%	0.492	34%	0.339	S	S	.	.	H	α-helix	trans	-60	-45.4	179.7	179.3	60.8	0	0	0	112	K55 D56 D62 Q63	K55-L59 WeakPolarHBondContact O-CB 3.35Å; K55-L59 PolarHBondContact O-N 2.93Å; D56-L59 PolarHBondContact O-N 2.83Å; L59-D62 PolarHBondContact O-N 3.32Å; L59-Q63 VanDerWaalsContact O-CG 3.25Å; L59-Q63 WeakPolarHBondContact O-CG 3.35Å; L59-Q63 PolarHBondContact O-N 2.77Å
60	L	98.6	Very high	98.3	Very high	12 Å²	12	70.8 Å²	70.8	6%	0.063	35%	0.353	C	S	.	.	H	α-helix	trans	-66.6	-37.8	174.5	-72.1	178.6	0	0	0	112	D56 R58 Q63 F64 L137 V193 V217	D56-L60 WeakPolarHBondContact O-CB 3.24Å; D56-L60 WeakPolarHBondContact O-CG 3.26Å; D56-L60 PolarHBondContact O-N 3.43Å; R58-L60 PolarHBondContact O-N 3.3Å; L60-Q63 PolarHBondContact O-N 2.71Å; L60-F64 WeakPolarHBondContact O-CD2 3.48Å; L60-F64 PolarHBondContact O-N 2.83Å; L60-L137 HydrophobicContact CB-CD1 3.64Å; L60-L137 HydrophobicContact CB-CD2 4.07Å; L60-L137 HydrophobicContact CB-CG 4.43Å; L60-L137 HydrophobicContact CD1-CD2 4.15Å; L60-V193 HydrophobicContact CD1-CG1 4.07Å; L60-V217 HydrophobicContact CD1-CB 4.34Å; L60-V217 HydrophobicContact CD1-CG1 3.98Å; L60-V217 HydrophobicContact CD1-CG2 3.99Å; L60-V217 HydrophobicContact CD2-CG1 4.24Å; L60-V217 HydrophobicContact CG-CG1 4.12Å
61	F	98.8	Very high	98.2	Very high	20 Å²	20	71.9 Å²	71.9	9%	0.088	37%	0.369	C	S	.	.	H	α-helix	trans	-60.7	-47.4	174.1	171.4	-91.9	0	0	0	111.6	P49 W53 L57 R58 Q63 F64 M65 V124 F126 L137	P49-F61 HydrophobicContact CG-CD1 3.76Å; P49-F61 HydrophobicContact CG-CE1 3.62Å; P49-F61 HydrophobicContact CG-CE2 4.44Å; P49-F61 HydrophobicContact CG-CG 4.26Å; P49-F61 HydrophobicContact CG-CZ 3.98Å; W53-F61 HydrophobicContact CH2-CD2 4.04Å; W53-F61 HydrophobicContact CH2-CE2 4.44Å; W53-F61 HydrophobicContact CZ3-CB 3.91Å; W53-F61 AromaticContact CZ3-CD2 3.74Å; W53-F61 HydrophobicContact CZ3-CD2 3.74Å; W53-F61 HydrophobicContact CZ3-CE2 4.39Å; W53-F61 AromaticContact CZ3-CG 3.84Å; W53-F61 HydrophobicContact CZ3-CG 3.84Å; L57-F61 WeakPolarHBondContact O-CB 3.29Å; L57-F61 PolarHBondContact O-N 3.36Å; R58-F61 WeakPolarHBondContact O-CB 3.49Å; R58-F61 PolarHBondContact O-N 3.07Å; R58-F61 VanDerWaalsContact O-N 3.14Å; F61-Q63 VanDerWaalsContact C-N 3.34Å; F61-Q63 PolarHBondContact O-N 3.12Å; F61-F64 PolarHBondContact O-N 3.1Å; F61-M65 HydrophobicContact CD1-CG 3.99Å; F61-M65 HydrophobicContact CD2-CG 4.29Å; F61-M65 HydrophobicContact CE1-CG 3.6Å; F61-M65 HydrophobicContact CE2-CG 3.97Å; F61-M65 HydrophobicContact CE2-SD 4.2Å; F61-M65 HydrophobicContact CG-CG 4.32Å; F61-M65 HydrophobicContact CZ-CG 3.59Å; F61-M65 HydrophobicContact CZ-SD 3.96Å; F61-M65 WeakPolarHBondContact O-CB 3.4Å; F61-M65 VanDerWaalsContact O-CG 3.29Å; F61-M65 WeakPolarHBondContact O-CG 3.35Å; F61-M65 PolarHBondContact O-N 3.01Å; F61-V124 HydrophobicContact CD2-CG1 4.14Å; F61-V124 HydrophobicContact CD2-CG2 4.13Å; F61-V124 HydrophobicContact CE2-CG2 4.27Å; F61-F126 HydrophobicContact CD2-CE2 4.37Å; F61-F126 AromaticContact CD2-CZ 3.82Å; F61-F126 HydrophobicContact CD2-CZ 3.82Å; F61-F126 HydrophobicContact CE2-CZ 4.24Å; F61-L137 HydrophobicContact CB-CD1 4.38Å
62	D	98.6	Very high	98.1	Very high	96 Å²	96	67.9 Å²	67.9	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-39.3	179.2	-66.1	-28.3	0	0	0	111.3	R58 L59 M65 K66	R58-D62 VanDerWaalsContact O-CG 3.32Å; R58-D62 PolarHBondContact O-N 3.01Å; L59-D62 PolarHBondContact O-N 3.32Å; D62-M65 PolarHBondContact O-N 2.85Å; D62-K66 PolarHBondContact O-N 2.9Å
63	Q	98.4	Very high	98.1	Very high	96 Å²	96	66.7 Å²	66.7	45%	0.449	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-44.8	173	-72.6	173.2	15.1	0	0	112.6	L59 L60 F61 K66 K67	L59-Q63 VanDerWaalsContact O-CG 3.25Å; L59-Q63 WeakPolarHBondContact O-CG 3.35Å; L59-Q63 PolarHBondContact O-N 2.77Å; L60-Q63 PolarHBondContact O-N 2.71Å; F61-Q63 VanDerWaalsContact C-N 3.34Å; F61-Q63 PolarHBondContact O-N 3.12Å; Q63-K66 WeakPolarHBondContact O-CB 3.31Å; Q63-K66 PolarHBondContact O-N 3.14Å; Q63-K67 PolarHBondContact O-N 3.01Å; Q63-K67 VanDerWaalsContact O-N 3.08Å
64	F	98.3	Very high	98.1	Very high	14 Å²	14	72.1 Å²	72.1	6%	0.061	36%	0.357	C	S	.	.	H	α-helix	trans	-75	-28.1	177.9	-90.5	-93.3	0	0	0	113.2	L60 F61 K67 C68 W73 F126 V135 L137 M195	L60-F64 WeakPolarHBondContact O-CD2 3.48Å; L60-F64 PolarHBondContact O-N 2.83Å; F61-F64 PolarHBondContact O-N 3.1Å; F64-K67 HydrophobicContact CD1-CD 4.26Å; F64-K67 HydrophobicContact CE1-CD 4.37Å; F64-K67 HydrophobicContact CG-CD 4.5Å; F64-K67 WeakPolarHBondContact O-CB 3.29Å; F64-K67 PolarHBondContact O-N 3.45Å; F64-C68 PolarHBondContact O-N 3.11Å; F64-C68 PolarHBondContact O-SG 3.36Å; F64-W73 HydrophobicContact CD1-CD2 4.46Å; F64-W73 HydrophobicContact CD1-CE3 4.16Å; F64-W73 HydrophobicContact CD1-CZ3 4.46Å; F64-W73 HydrophobicContact CE1-CD2 4.34Å; F64-W73 AromaticContact CE1-CE3 3.98Å; F64-W73 HydrophobicContact CE1-CE3 3.98Å; F64-W73 HydrophobicContact CE1-CH2 4.14Å; F64-W73 AromaticContact CE1-CZ3 3.86Å; F64-W73 HydrophobicContact CE1-CZ3 3.86Å; F64-F126 HydrophobicContact CB-CD1 3.83Å; F64-F126 HydrophobicContact CB-CD2 3.66Å; F64-F126 HydrophobicContact CB-CE1 3.68Å; F64-F126 HydrophobicContact CB-CE2 3.51Å; F64-F126 HydrophobicContact CB-CG 3.82Å; F64-F126 HydrophobicContact CB-CZ 3.52Å; F64-F126 HydrophobicContact CD1-CB 3.83Å; F64-F126 HydrophobicContact CD1-CD1 4.43Å; F64-F126 HydrophobicContact CD1-CD2 4.02Å; F64-F126 AromaticContact CD1-CG 3.87Å; F64-F126 HydrophobicContact CD1-CG 3.87Å; F64-F126 HydrophobicContact CE1-CB 4.46Å; F64-F126 AromaticContact CG-CD2 3.97Å; F64-F126 HydrophobicContact CG-CD2 3.97Å; F64-F126 HydrophobicContact CG-CE2 4.22Å; F64-F126 HydrophobicContact CG-CG 4.16Å; F64-V135 HydrophobicContact CE1-CB 3.83Å; F64-V135 HydrophobicContact CE1-CG1 4.01Å; F64-V135 HydrophobicContact CE1-CG2 3.94Å; F64-V135 HydrophobicContact CE2-CG1 4.22Å; F64-V135 HydrophobicContact CZ-CB 3.95Å; F64-V135 HydrophobicContact CZ-CG1 3.66Å; F64-V135 HydrophobicContact CZ-CG2 3.95Å; F64-L137 HydrophobicContact CD2-CD1 4.5Å; F64-L137 HydrophobicContact CD2-CD2 4.28Å; F64-L137 HydrophobicContact CE2-CD2 4.24Å; F64-M195 HydrophobicContact CE2-SD 4.23Å; F64-M195 HydrophobicContact CZ-SD 4.25Å
65	M	98.6	Very high	98.1	Very high	71 Å²	71	73.4 Å²	73.4	35%	0.35	36%	0.359	S	S	.	.	H	α-helix	trans	-64.6	-41.4	168.6	-78.1	-61	-58.4	0	0	110.9	F61 D62 K67 C68 R75 F126	F61-M65 HydrophobicContact CD1-CG 3.99Å; F61-M65 HydrophobicContact CD2-CG 4.29Å; F61-M65 HydrophobicContact CE1-CG 3.6Å; F61-M65 HydrophobicContact CE2-CG 3.97Å; F61-M65 HydrophobicContact CE2-SD 4.2Å; F61-M65 HydrophobicContact CG-CG 4.32Å; F61-M65 HydrophobicContact CZ-CG 3.59Å; F61-M65 HydrophobicContact CZ-SD 3.96Å; F61-M65 WeakPolarHBondContact O-CB 3.4Å; F61-M65 VanDerWaalsContact O-CG 3.29Å; F61-M65 WeakPolarHBondContact O-CG 3.35Å; F61-M65 PolarHBondContact O-N 3.01Å; D62-M65 PolarHBondContact O-N 2.85Å; M65-K67 VanDerWaalsContact C-N 3.31Å; M65-K67 PolarHBondContact O-N 3.26Å; M65-C68 WeakPolarHBondContact O-CA 3.17Å; M65-C68 VanDerWaalsContact O-CB 3.27Å; M65-C68 WeakPolarHBondContact O-CB 3.34Å; M65-C68 PolarHBondContact O-N 3.32Å; M65-R75 HydrophobicContact SD-CB 4.22Å; M65-R75 HydrophobicContact SD-CG 4.48Å; M65-F126 HydrophobicContact CG-CE1 4.26Å; M65-F126 HydrophobicContact CG-CZ 4.33Å; M65-F126 HydrophobicContact SD-CE1 3.97Å; M65-F126 HydrophobicContact SD-CZ 4.44Å
66	K	98.4	Very high	98	Very high	140 Å²	140	66.1 Å²	66.1	61%	0.609	33%	0.328	S	S	*	.	H	α-helix	trans	-60.5	-39.1	170.9	-176.5	168.2	-172.3	176.5	0	112.4	D62 Q63 C68 E69	D62-K66 PolarHBondContact O-N 2.9Å; Q63-K66 WeakPolarHBondContact O-CB 3.31Å; Q63-K66 PolarHBondContact O-N 3.14Å; K66-C68 PolarHBondContact O-N 2.9Å; K66-C68 VanDerWaalsContact O-N 3.17Å; K66-E69 VanDerWaalsContact O-CB 3.29Å; K66-E69 WeakPolarHBondContact O-CB 3.42Å; K66-E69 WeakPolarHBondContact O-CG 3.32Å; K66-E69 PolarHBondContact O-N 3.05Å
67	K	97.6	Very high	98	Very high	82 Å²	82	65.5 Å²	65.5	36%	0.357	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.7	172	-68.8	175.3	61.8	-177.8	0	114.1	Q63 F64 M65 W73	Q63-K67 PolarHBondContact O-N 3.01Å; Q63-K67 VanDerWaalsContact O-N 3.08Å; F64-K67 HydrophobicContact CD1-CD 4.26Å; F64-K67 HydrophobicContact CE1-CD 4.37Å; F64-K67 HydrophobicContact CG-CD 4.5Å; F64-K67 WeakPolarHBondContact O-CB 3.29Å; F64-K67 PolarHBondContact O-N 3.45Å; M65-K67 VanDerWaalsContact C-N 3.31Å; M65-K67 PolarHBondContact O-N 3.26Å; K67-W73 HydrophobicContact CB-CB 4.29Å; K67-W73 HydrophobicContact CB-CG 4.12Å; K67-W73 VanDerWaalsContact CE-NE1 3.35Å; K67-W73 WeakPolarHBondContact O-CB 3.48Å; K67-W73 PolarHBondContact O-N 3.44Å
68	C	98	Very high	97.8	Very high	31 Å²	31	66 Å²	66	21%	0.209	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.1	171.4	-56.2	0	0	0	0	113.3	F64 M65 K66 D70 G71 W73	F64-C68 PolarHBondContact O-N 3.11Å; F64-C68 PolarHBondContact O-SG 3.36Å; M65-C68 WeakPolarHBondContact O-CA 3.17Å; M65-C68 VanDerWaalsContact O-CB 3.27Å; M65-C68 WeakPolarHBondContact O-CB 3.34Å; M65-C68 PolarHBondContact O-N 3.32Å; K66-C68 PolarHBondContact O-N 2.9Å; K66-C68 VanDerWaalsContact O-N 3.17Å; C68-D70 VanDerWaalsContact C-N 3.31Å; C68-D70 PolarHBondContact O-N 3.06Å; C68-G71 PolarHBondContact O-N 2.94Å; C68-W73 WeakPolarHBondContact CA-O 3.3Å; C68-W73 WeakPolarHBondContact CB-O 3.39Å; C68-W73 PolarHBondContact SG-O 2.98Å
69	E	97.8	Very high	97.6	Very high	148 Å²	148	65.2 Å²	65.2	69%	0.692	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-32.8	-174.4	-70.6	172.1	-171.8	0	0	113.2	K66	K66-E69 VanDerWaalsContact O-CB 3.29Å; K66-E69 WeakPolarHBondContact O-CB 3.42Å; K66-E69 WeakPolarHBondContact O-CG 3.32Å; K66-E69 PolarHBondContact O-N 3.05Å
70	D	96.3	Very high	97.2	Very high	122 Å²	122	62.7 Å²	62.7	65%	0.652	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.4	175.4	67.2	8.8	0	0	0	113.7	C68 S72	C68-D70 VanDerWaalsContact C-N 3.31Å; C68-D70 PolarHBondContact O-N 3.06Å; D70-S72 VanDerWaalsContact C-N 3.25Å; D70-S72 PolarHBondContact O-N 2.95Å; D70-S72 WeakPolarHBondContact OD1-CB 3.47Å; D70-S72 PolarHBondContact OD1-N 3.03Å; D70-S72 PolarHBondContact OD1-OG 3Å; D70-S72 PolarHBondContact OD2-OG 2.82Å
71	G	95.6	Very high	96.5	Very high	40 Å²	40	68.8 Å²	68.8	41%	0.412	34%	0.337	S	S	.	.	S	Bend	trans	74.5	2.5	-177.7	0	0	0	0	0	115.9	C68	C68-G71 PolarHBondContact O-N 2.94Å
72	S	96.5	Very high	95.3	Very high	42 Å²	42	71.7 Å²	71.7	29%	0.294	35%	0.352	S	S	.	.	S	Bend	trans	-68.2	-40.3	176.8	66.7	0	0	0	0	111.8	D70	D70-S72 VanDerWaalsContact C-N 3.25Å; D70-S72 PolarHBondContact O-N 2.95Å; D70-S72 WeakPolarHBondContact OD1-CB 3.47Å; D70-S72 PolarHBondContact OD1-N 3.03Å; D70-S72 PolarHBondContact OD1-OG 3Å; D70-S72 PolarHBondContact OD2-OG 2.82Å
73	W	98.5	Very high	93.8	Very high	12 Å²	12	68.3 Å²	68.3	5%	0.045	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	150.9	170	-67.2	75.2	0	0	0	112.2	F64 K67 C68 F126 Y127 E131 R133 V135	F64-W73 HydrophobicContact CD1-CD2 4.46Å; F64-W73 HydrophobicContact CD1-CE3 4.16Å; F64-W73 HydrophobicContact CD1-CZ3 4.46Å; F64-W73 HydrophobicContact CE1-CD2 4.34Å; F64-W73 AromaticContact CE1-CE3 3.98Å; F64-W73 HydrophobicContact CE1-CE3 3.98Å; F64-W73 HydrophobicContact CE1-CH2 4.14Å; F64-W73 AromaticContact CE1-CZ3 3.86Å; F64-W73 HydrophobicContact CE1-CZ3 3.86Å; K67-W73 HydrophobicContact CB-CB 4.29Å; K67-W73 HydrophobicContact CB-CG 4.12Å; K67-W73 VanDerWaalsContact CE-NE1 3.35Å; K67-W73 WeakPolarHBondContact O-CB 3.48Å; K67-W73 PolarHBondContact O-N 3.44Å; C68-W73 WeakPolarHBondContact CA-O 3.3Å; C68-W73 WeakPolarHBondContact CB-O 3.39Å; C68-W73 PolarHBondContact SG-O 2.98Å; W73-F126 HydrophobicContact CE3-CB 3.84Å; W73-F126 HydrophobicContact CZ3-CB 4.34Å; W73-F126 WeakPolarHBondContact CZ3-O 3.43Å; W73-Y127 CarbonylContact C-O 3.56Å; W73-Y127 WeakPolarHBondContact CA-O 3.49Å; W73-E131 VanDerWaalsContact CZ2-OE1 3.24Å; W73-E131 WeakPolarHBondContact CZ2-OE1 3.2Å; W73-R133 HydrophobicContact CH2-CB 4.3Å; W73-R133 HydrophobicContact CH2-CG 3.93Å; W73-V135 HydrophobicContact CH2-CG2 3.7Å; W73-V135 HydrophobicContact CZ3-CB 4.13Å; W73-V135 HydrophobicContact CZ3-CG2 3.79Å
74	K	98.3	Very high	92	Very high	120 Å²	120	67.6 Å²	67.6	52%	0.522	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	120.3	178.5	-63.3	175.4	-174.4	169	0	110.3	F126 Y127	K74-F126 WeakPolarHBondContact O-CA 3.28Å; K74-Y127 PolarHBondContact N-O 3.07Å; K74-Y127 PolarHBondContact O-N 2.98Å
75	R	98.6	Very high	90.3	Very high	69 Å²	69	74.8 Å²	74.8	26%	0.26	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.3	170.6	-168.4	-170.5	67.5	86.9	5.2	110.3	D45 S47 M65 V124 F126	D45-R75 IonicContact OD1-NH1 3.22Å; D45-R75 IonicContact OD2-CZ 2.7Å; D45-R75 IonicContact OD2-NH1 2.83Å; D45-R75 PolarHBondContact OD2-NH1 3.02Å; D45-R75 IonicContact OD2-NH2 3.93Å; D45-R75 PolarHBondContact OD2-NH2 3.18Å; S47-R75 PolarHBondContact O-NH1 3.45Å; M65-R75 HydrophobicContact SD-CB 4.22Å; M65-R75 HydrophobicContact SD-CG 4.48Å; R75-V124 HydrophobicContact CG-CG2 3.8Å; R75-F126 HydrophobicContact CB-CD1 3.78Å; R75-F126 HydrophobicContact CB-CE1 3.64Å; R75-F126 HydrophobicContact CB-CZ 4.49Å; R75-F126 HydrophobicContact CG-CD1 4.13Å; R75-F126 HydrophobicContact CG-CE1 3.74Å; R75-F126 HydrophobicContact CG-CZ 4.11Å
76	L	97.7	Very high	88.5	Confident	26 Å²	26	77.6 Å²	77.6	14%	0.136	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.3	175.7	-58.1	-175.4	0	0	0	111.3	S47 M125 M134 M166 M170	S47-L76 VanDerWaalsContact CB-O 3.28Å; S47-L76 WeakPolarHBondContact CB-O 3.14Å; S47-L76 PolarHBondContact OG-O 3.42Å; L76-M125 HydrophobicContact CB-CB 4.24Å; L76-M125 HydrophobicContact CD1-CB 4.36Å; L76-M125 PolarHBondContact N-O 3.05Å; L76-M134 HydrophobicContact CD1-CE 3.69Å; L76-M134 HydrophobicContact CD1-SD 3.77Å; L76-M166 HydrophobicContact CD1-CG 3.66Å; L76-M166 HydrophobicContact CD1-SD 4.27Å; L76-M170 HydrophobicContact CD1-CG 4.34Å; L76-M170 HydrophobicContact CD1-SD 4.45Å; L76-M170 HydrophobicContact CD2-CE 4.22Å; L76-M170 HydrophobicContact CD2-SD 4.42Å
77	P	96.9	Very high	86.6	Confident	59 Å²	59	73.5 Å²	73.5	38%	0.383	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-71.6	153.9	173.2	32.3	-35.9	0	0	0	111.2	D45 Y79	D45-P77 HydrophobicContact CB-CB 4.4Å; D45-P77 VanDerWaalsContact OD1-CA 3.3Å; D45-P77 WeakPolarHBondContact OD1-CA 3.29Å; D45-P77 VanDerWaalsContact OD2-CB 3.32Å; D45-P77 WeakPolarHBondContact OD2-CB 3.48Å; P77-Y79 HydrophobicContact CB-CE1 4.26Å; P77-Y79 HydrophobicContact CB-CE2 4.21Å; P77-Y79 WeakPolarHBondContact CB-OH 3.45Å; P77-Y79 HydrophobicContact CG-CE2 4.17Å; P77-Y79 WeakPolarHBondContact CG-OH 3.44Å
78	S	95.6	Very high	84.5	Confident	11 Å²	11	74.9 Å²	74.9	8%	0.077	38%	0.382	C	S	.	.			trans	-135.9	135.4	178.8	-179	0	0	0	0	110.4	D45 Y46 S47 R113 Y123	D45-S78 CarbonylContact C-O 3.54Å; D45-S78 WeakPolarHBondContact CA-O 3.43Å; D45-S78 PolarHBondContact OD1-N 2.81Å; Y46-S78 PolarHBondContact N-O 2.86Å; S47-S78 WeakPolarHBondContact OG-CB 3.47Å; S47-S78 PolarHBondContact OG-N 3.04Å; S78-R113 PolarHBondContact OG-NE 3.13Å; S78-Y123 PolarHBondContact OG-OH 3.45Å
79	Y	93.5	Very high	82.6	Confident	64 Å²	64	78 Å²	78	25%	0.251	40%	0.396	S	S	.	.			trans	-125.2	148.6	-170.1	-53	-68.5	0	0	0	110.2	L43 K44 D45 P77 R81 P83	L43-Y79 HydrophobicContact CB-CD1 3.83Å; L43-Y79 HydrophobicContact CB-CE1 3.79Å; L43-Y79 HydrophobicContact CD2-CD1 3.96Å; L43-Y79 HydrophobicContact CD2-CD2 4.43Å; L43-Y79 HydrophobicContact CD2-CG 3.89Å; L43-Y79 HydrophobicContact CG-CD1 4.5Å; L43-Y79 WeakPolarHBondContact O-CE1 3.29Å; K44-Y79 WeakPolarHBondContact O-CD1 3.35Å; D45-Y79 HydrophobicContact CB-CE1 4.24Å; P77-Y79 HydrophobicContact CB-CE1 4.26Å; P77-Y79 HydrophobicContact CB-CE2 4.21Å; P77-Y79 WeakPolarHBondContact CB-OH 3.45Å; P77-Y79 HydrophobicContact CG-CE2 4.17Å; P77-Y79 WeakPolarHBondContact CG-OH 3.44Å; Y79-R81 WeakPolarHBondContact CB-O 3.28Å; Y79-R81 PolarHBondContact O-N 3.46Å; Y79-P83 HydrophobicContact CD2-CG 3.98Å; Y79-P83 HydrophobicContact CE2-CG 4.09Å
80	K	90.4	Very high	80.8	Confident	42 Å²	42	73.8 Å²	73.8	18%	0.183	38%	0.376	C	S	.	.	S	Bend	trans	-59.9	-25.8	172.8	-85.8	-162.3	-177.1	-154.1	0	112.6	Y46 Q109 L110 R113 F115 D116	Y46-K80 HydrophobicContact CD2-CG 4.35Å; Y46-K80 HydrophobicContact CE1-CD 4.36Å; Y46-K80 HydrophobicContact CE1-CG 4.27Å; Y46-K80 HydrophobicContact CE2-CB 4.21Å; Y46-K80 HydrophobicContact CE2-CD 4.39Å; Y46-K80 HydrophobicContact CE2-CG 3.72Å; Y46-K80 WeakPolarHBondContact OH-CD 3.45Å; Y46-K80 WeakPolarHBondContact OH-CE 3.39Å; K80-Q109 CarbonylContact O-C 3.55Å; K80-Q109 WeakPolarHBondContact O-CA 3.4Å; K80-Q109 WeakPolarHBondContact O-CB 3.47Å; K80-L110 PolarHBondContact O-N 2.89Å; K80-R113 WeakPolarHBondContact CD-O 3.35Å; K80-R113 WeakPolarHBondContact CE-O 3.25Å; K80-R113 HydrophobicContact CG-CB 3.92Å; K80-R113 WeakPolarHBondContact CG-O 3.43Å; K80-F115 WeakPolarHBondContact CE-O 3.25Å; K80-F115 PolarHBondContact NZ-O 2.91Å; K80-D116 IonicContact NZ-OD1 3.27Å; K80-D116 PolarHBondContact NZ-OD1 3.47Å
81	R	84.8	Confident	78.8	Confident	139 Å²	139	72.6 Å²	72.6	53%	0.525	37%	0.365	S	S	.	.	S	Bend	trans	-129.6	145.5	173.7	-64.4	-173.6	177	109.9	-9.3	110.8	Y79 S106 T108	Y79-R81 WeakPolarHBondContact CB-O 3.28Å; Y79-R81 PolarHBondContact O-N 3.46Å; R81-S106 PolarHBondContact NH2-O 3.02Å; R81-T108 WeakPolarHBondContact CG-O 3.46Å; R81-T108 PolarHBondContact NE-O 2.76Å
82	I	71.8	Confident	77	Confident	82 Å²	82	74.6 Å²	74.6	42%	0.421	37%	0.369	S	S	.	.			trans	-64.6	134.6	172.5	-55.9	175.5	0	0	0	108.1	K86 I87	I82-K86 HydrophobicContact CG2-CB 3.78Å; I82-I87 HydrophobicContact CB-CD1 4.07Å; I82-I87 HydrophobicContact CB-CG1 3.68Å; I82-I87 HydrophobicContact CG2-CG1 3.71Å; I82-I87 WeakPolarHBondContact O-CD1 3.36Å
83	P	68.8	Low	75	Confident	25 Å²	25	74.6 Å²	74.6	16%	0.162	37%	0.365	C	S	.	.			trans	-58.5	143.3	176.7	-26.4	35.5	0	0	0	112.4	L43 Y79 E85 K86 I87	L43-P83 HydrophobicContact CD1-CB 4.12Å; L43-P83 HydrophobicContact CD1-CG 4.05Å; L43-P83 HydrophobicContact CD2-CG 4.36Å; Y79-P83 HydrophobicContact CD2-CG 3.98Å; Y79-P83 HydrophobicContact CE2-CG 4.09Å; P83-E85 PolarHBondContact O-N 2.85Å; P83-E85 VanDerWaalsContact O-N 3.14Å; P83-K86 PolarHBondContact O-N 2.71Å; P83-I87 PolarHBondContact O-N 2.96Å
84	A	60.8	Low	72.9	Confident	81 Å²	81	76.4 Å²	76.4	67%	0.669	38%	0.375	S	S	*	.	H	α-helix	trans	-55.2	-36.6	-173.3	0	0	0	0	0	113.7	I87 Q88	A84-I87 WeakPolarHBondContact O-CB 3.29Å; A84-I87 PolarHBondContact O-N 2.85Å; A84-Q88 PolarHBondContact O-N 2.83Å
85	E	61.1	Low	70.9	Confident	165 Å²	165	74.6 Å²	74.6	77%	0.771	37%	0.37	S	S	*	.	H	α-helix	trans	-59.5	-50.5	174.9	-61.7	167.8	174.9	0	0	111.7	P83 I87 Q88	P83-E85 PolarHBondContact O-N 2.85Å; P83-E85 VanDerWaalsContact O-N 3.14Å; E85-I87 VanDerWaalsContact C-N 3.31Å; E85-I87 PolarHBondContact O-N 3.14Å; E85-Q88 WeakPolarHBondContact O-CB 3.11Å; E85-Q88 PolarHBondContact O-N 3.07Å; E85-Q88 VanDerWaalsContact O-N 3.11Å
86	K	62	Low	68.9	Low	130 Å²	130	72.9 Å²	72.9	57%	0.565	37%	0.366	S	S	*	.	H	α-helix	trans	-69	-29.3	176.1	-65.5	-170.5	178.7	-171.7	0	112.4	I82 P83 Q88 F90	I82-K86 HydrophobicContact CG2-CB 3.78Å; P83-K86 PolarHBondContact O-N 2.71Å; K86-Q88 VanDerWaalsContact C-N 3.28Å; K86-F90 VanDerWaalsContact O-CD2 3.28Å; K86-F90 WeakPolarHBondContact O-CD2 3.42Å; K86-F90 PolarHBondContact O-N 2.67Å
87	I	57.9	Low	67	Low	54 Å²	54	76.8 Å²	76.8	28%	0.277	39%	0.393	S	S	.	.	H	α-helix	trans	-64.1	-34.4	171.1	-73.4	-178.8	0	0	0	110.9	I82 P83 A84 E85 F90 K91	I82-I87 HydrophobicContact CB-CD1 4.07Å; I82-I87 HydrophobicContact CB-CG1 3.68Å; I82-I87 HydrophobicContact CG2-CG1 3.71Å; I82-I87 WeakPolarHBondContact O-CD1 3.36Å; P83-I87 PolarHBondContact O-N 2.96Å; A84-I87 WeakPolarHBondContact O-CB 3.29Å; A84-I87 PolarHBondContact O-N 2.85Å; E85-I87 VanDerWaalsContact C-N 3.31Å; E85-I87 PolarHBondContact O-N 3.14Å; I87-F90 PolarHBondContact O-N 3.29Å; I87-K91 HydrophobicContact CG2-CD 3.67Å; I87-K91 HydrophobicContact CG2-CG 3.84Å; I87-K91 VanDerWaalsContact O-CB 3.31Å; I87-K91 WeakPolarHBondContact O-CB 3.21Å; I87-K91 WeakPolarHBondContact O-CG 3.36Å; I87-K91 PolarHBondContact O-N 2.96Å
88	Q	54.4	Low	65.1	Low	111 Å²	111	82.5 Å²	82.5	52%	0.519	41%	0.412	S	S	.	.	H	α-helix	trans	-64.4	-50.1	-177.1	-171.2	61.1	19.4	0	0	111.6	A84 E85 K86 F90 K91 T92	A84-Q88 PolarHBondContact O-N 2.83Å; E85-Q88 WeakPolarHBondContact O-CB 3.11Å; E85-Q88 PolarHBondContact O-N 3.07Å; E85-Q88 VanDerWaalsContact O-N 3.11Å; K86-Q88 VanDerWaalsContact C-N 3.28Å; Q88-F90 VanDerWaalsContact C-N 3.27Å; Q88-F90 PolarHBondContact O-N 3.01Å; Q88-K91 PolarHBondContact O-N 2.85Å; Q88-T92 PolarHBondContact O-N 3.29Å; Q88-T92 PolarHBondContact O-OG1 3.36Å; Q88-T92 VanDerWaalsContact O-OG1 3.07Å
89	D	58.1	Low	63.1	Low	95 Å²	95	88.2 Å²	88.2	51%	0.508	44%	0.441	S	S	.	.	H	α-helix	trans	-57.2	-39.3	175.7	-69.8	-13.7	0	0	0	112.4	T92 H93	D89-T92 PolarHBondContact O-OG1 2.84Å; D89-T92 VanDerWaalsContact O-OG1 3.05Å; D89-H93 PolarHBondContact O-CD2 3.22Å
90	F	58.5	Low	61.5	Low	61 Å²	61	86.8 Å²	86.8	27%	0.268	44%	0.439	S	S	.	.	H	α-helix	trans	-70.7	-46.2	176.1	-86	-114.3	0	0	0	111.4	K86 I87 Q88 T92 H93 L94 L169 V174	K86-F90 VanDerWaalsContact O-CD2 3.28Å; K86-F90 WeakPolarHBondContact O-CD2 3.42Å; K86-F90 PolarHBondContact O-N 2.67Å; I87-F90 PolarHBondContact O-N 3.29Å; Q88-F90 VanDerWaalsContact C-N 3.27Å; Q88-F90 PolarHBondContact O-N 3.01Å; F90-T92 VanDerWaalsContact C-N 3.31Å; F90-T92 PolarHBondContact O-N 2.91Å; F90-H93 PolarHBondContact O-N 2.95Å; F90-L94 HydrophobicContact CB-CD1 4.35Å; F90-L94 HydrophobicContact CD1-CD1 3.43Å; F90-L94 VanDerWaalsContact CD1-CD1 3.43Å; F90-L94 HydrophobicContact CE1-CD1 4.05Å; F90-L94 HydrophobicContact CG-CD1 4.17Å; F90-L94 WeakPolarHBondContact O-CB 3.37Å; F90-L94 PolarHBondContact O-N 2.78Å; F90-L169 HydrophobicContact CZ-CD1 4.25Å; F90-V174 HydrophobicContact CD1-CG1 4.29Å; F90-V174 HydrophobicContact CD2-CG1 4.32Å; F90-V174 HydrophobicContact CD2-CG2 4.06Å; F90-V174 HydrophobicContact CE1-CG1 3.97Å; F90-V174 HydrophobicContact CE2-CB 4.42Å; F90-V174 HydrophobicContact CE2-CG1 4.02Å; F90-V174 HydrophobicContact CE2-CG2 3.74Å; F90-V174 HydrophobicContact CG-CG1 4.46Å; F90-V174 HydrophobicContact CZ-CG1 3.83Å; F90-V174 HydrophobicContact CZ-CG2 4.31Å
91	K	55.9	Low	60	Low	97 Å²	97	91.5 Å²	91.5	42%	0.422	46%	0.46	S	S	.	.	H	α-helix	trans	-57.8	-41.8	179.5	-86.4	-176.1	176.2	-176	0	112.1	I87 Q88 H93 L95	I87-K91 HydrophobicContact CG2-CD 3.67Å; I87-K91 HydrophobicContact CG2-CG 3.84Å; I87-K91 VanDerWaalsContact O-CB 3.31Å; I87-K91 WeakPolarHBondContact O-CB 3.21Å; I87-K91 WeakPolarHBondContact O-CG 3.36Å; I87-K91 PolarHBondContact O-N 2.96Å; Q88-K91 PolarHBondContact O-N 2.85Å; K91-H93 PolarHBondContact O-N 3.05Å; K91-H93 VanDerWaalsContact O-N 3.13Å; K91-L95 HydrophobicContact CG-CD1 3.91Å
92	T	56	Low	58.7	Low	81 Å²	81	93 Å²	93	50%	0.497	47%	0.472	S	S	.	.	H	α-helix	trans	-66.7	-10.1	179	45	0	0	0	0	114.5	Q88 D89 F90	Q88-T92 PolarHBondContact O-N 3.29Å; Q88-T92 PolarHBondContact O-OG1 3.36Å; Q88-T92 VanDerWaalsContact O-OG1 3.07Å; D89-T92 PolarHBondContact O-OG1 2.84Å; D89-T92 VanDerWaalsContact O-OG1 3.05Å; F90-T92 VanDerWaalsContact C-N 3.31Å; F90-T92 PolarHBondContact O-N 2.91Å
93	H	54.3	Low	58.2	Low	43 Å²	43	97.2 Å²	97.2	20%	0.199	49%	0.49	C	S	.	.	H	α-helix	trans	-131.2	-12.8	-170.4	-58.1	-24.3	0	0	0	115.3	D89 F90 K91 P235	D89-H93 PolarHBondContact O-CD2 3.22Å; F90-H93 PolarHBondContact O-N 2.95Å; K91-H93 PolarHBondContact O-N 3.05Å; K91-H93 VanDerWaalsContact O-N 3.13Å; H93-P235 VanDerWaalsContact CE1-CB 3.47Å; H93-P235 WeakPolarHBondContact CE1-CB 3.26Å
94	L	55.3	Low	57.9	Low	50 Å²	50	101.7 Å²	101.7	26%	0.262	51%	0.509	S	S	.	.	H	α-helix	trans	-125.2	-20.2	-172.9	-86.5	154.5	0	0	0	116.3	F90 V174 V176 L233 L239	F90-L94 HydrophobicContact CB-CD1 4.35Å; F90-L94 HydrophobicContact CD1-CD1 3.43Å; F90-L94 VanDerWaalsContact CD1-CD1 3.43Å; F90-L94 HydrophobicContact CE1-CD1 4.05Å; F90-L94 HydrophobicContact CG-CD1 4.17Å; F90-L94 WeakPolarHBondContact O-CB 3.37Å; F90-L94 PolarHBondContact O-N 2.78Å; L94-V174 HydrophobicContact CD1-CG1 4.34Å; L94-V176 HydrophobicContact CD2-CG1 4.08Å; L94-L233 HydrophobicContact CD1-CD1 3.7Å; L94-L233 HydrophobicContact CD2-CD1 3.77Å; L94-L233 HydrophobicContact CG-CD1 3.5Å; L94-L233 VanDerWaalsContact CG-CD1 3.5Å; L94-L239 HydrophobicContact CD2-CD1 3.52Å; L94-L239 HydrophobicContact CG-CD1 4.31Å
95	L	56.5	Low	58.1	Low	81 Å²	81	101.3 Å²	101.3	42%	0.424	49%	0.494	S	S	.	.			trans	-122.5	112.8	-164.7	-71.4	167.7	0	0	0	111.8	K91 P97 V100	K91-L95 HydrophobicContact CG-CD1 3.91Å; L95-P97 VanDerWaalsContact O-CD 3.31Å; L95-P97 WeakPolarHBondContact O-CD 3.48Å; L95-V100 HydrophobicContact CB-CG2 4.09Å; L95-V100 HydrophobicContact CD1-CG2 4.45Å; L95-V100 HydrophobicContact CD2-CG2 4.2Å; L95-V100 HydrophobicContact CG-CG2 4.48Å
96	D	57.1	Low	58.5	Low	33 Å²	33	97 Å²	97	18%	0.176	48%	0.482	C	S	.	.			trans	-59.8	120.7	162.1	-176.1	-12.7	0	0	0	108.3	K98 L99 T240	D96-K98 PolarHBondContact O-N 2.92Å; D96-K98 WeakPolarHBondContact OD1-CB 3.5Å; D96-K98 VanDerWaalsContact OD1-CG 3.27Å; D96-K98 WeakPolarHBondContact OD1-CG 3.3Å; D96-K98 PolarHBondContact OD1-N 3.41Å; D96-K98 IonicContact OD2-NZ 3.74Å; D96-L99 HydrophobicContact CB-CD1 4.17Å; D96-L99 HydrophobicContact CB-CG 4.15Å; D96-L99 PolarHBondContact O-N 3.13Å; D96-T240 HydrophobicContact CB-CG2 4.47Å
97	P	57.4	Low	59.3	Low	108 Å²	108	98.4 Å²	98.4	70%	0.701	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-52.2	-27.3	175.4	-27.9	36.5	0	0	0	113.9	L95 L99 V100	L95-P97 VanDerWaalsContact O-CD 3.31Å; L95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-L99 VanDerWaalsContact C-N 3.28Å; P97-L99 PolarHBondContact O-N 2.82Å; P97-V100 PolarHBondContact O-N 2.87Å
98	K	56.5	Low	60.5	Low	180 Å²	180	99 Å²	99	78%	0.783	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-69.5	-21.8	178.5	-58.1	168.5	-158.1	144	0	113.9	D96	D96-K98 PolarHBondContact O-N 2.92Å; D96-K98 WeakPolarHBondContact OD1-CB 3.5Å; D96-K98 VanDerWaalsContact OD1-CG 3.27Å; D96-K98 WeakPolarHBondContact OD1-CG 3.3Å; D96-K98 PolarHBondContact OD1-N 3.41Å; D96-K98 IonicContact OD2-NZ 3.74Å
99	L	53.7	Low	62.2	Low	131 Å²	131	98.1 Å²	98.1	69%	0.686	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-90.4	-10.6	178.1	-62.7	177.8	0	0	0	112.5	D96 P97	D96-L99 HydrophobicContact CB-CD1 4.17Å; D96-L99 HydrophobicContact CB-CG 4.15Å; D96-L99 PolarHBondContact O-N 3.13Å; P97-L99 VanDerWaalsContact C-N 3.28Å; P97-L99 PolarHBondContact O-N 2.82Å
100	V	59.1	Low	63.9	Low	34 Å²	34	96.8 Å²	96.8	21%	0.206	49%	0.486	C	S	.	.			trans	-99.1	101.2	-173.4	-177.7	0	0	0	0	110.9	L95 P97 M105	L95-V100 HydrophobicContact CB-CG2 4.09Å; L95-V100 HydrophobicContact CD1-CG2 4.45Å; L95-V100 HydrophobicContact CD2-CG2 4.2Å; L95-V100 HydrophobicContact CG-CG2 4.48Å; P97-V100 PolarHBondContact O-N 2.87Å; V100-M105 HydrophobicContact CG1-CG 3.52Å; V100-M105 HydrophobicContact CG1-SD 3.95Å
101	K	60.3	Low	65.7	Low	141 Å²	141	99.5 Å²	99.5	61%	0.613	50%	0.498	S	S	*	.			trans	-82.4	113.8	166.6	-63.9	-173.8	-175.9	176.2	0	109.7	E103 Q104 M105	K101-E103 VanDerWaalsContact C-N 3.31Å; K101-E103 PolarHBondContact O-N 2.95Å; K101-Q104 HydrophobicContact CB-CB 4.41Å; K101-Q104 HydrophobicContact CB-CG 4.13Å; K101-Q104 PolarHBondContact O-N 2.86Å; K101-Q104 VanDerWaalsContact O-N 3.08Å; K101-M105 PolarHBondContact O-N 2.77Å
102	E	57.7	Low	67.7	Low	169 Å²	169	95.1 Å²	95.1	79%	0.79	48%	0.479	S	S	*	.	H	α-helix	trans	-58.1	-39.7	-172.4	-61.9	-168.1	125	0	0	113.4	Q104 M105 S106	E102-Q104 VanDerWaalsContact C-N 3.3Å; E102-Q104 PolarHBondContact O-N 2.87Å; E102-M105 WeakPolarHBondContact O-CB 3.34Å; E102-M105 PolarHBondContact O-N 3.34Å; E102-M105 VanDerWaalsContact O-N 3.08Å; E102-S106 PolarHBondContact O-N 3.25Å
103	E	61.1	Low	69.7	Low	171 Å²	171	91.6 Å²	91.6	80%	0.799	46%	0.456	S	S	*	.	H	α-helix	trans	-56.5	-43.9	176.3	-61.8	179.9	146.4	0	0	111.9	K101 M105 S106	K101-E103 VanDerWaalsContact C-N 3.31Å; K101-E103 PolarHBondContact O-N 2.95Å; E103-M105 VanDerWaalsContact C-N 3.31Å; E103-M105 PolarHBondContact O-N 2.87Å; E103-S106 WeakPolarHBondContact O-CB 3.47Å; E103-S106 PolarHBondContact O-N 2.83Å; E103-S106 PolarHBondContact O-OG 3.45Å
104	Q	61.3	Low	71.7	Confident	119 Å²	119	91.5 Å²	91.5	56%	0.556	46%	0.46	S	S	*	.	H	α-helix	trans	-70.4	-28.1	179.5	-60.1	-169.9	-68	0	0	112.1	K101 E102 S106 Q107	K101-Q104 HydrophobicContact CB-CB 4.41Å; K101-Q104 HydrophobicContact CB-CG 4.13Å; K101-Q104 PolarHBondContact O-N 2.86Å; K101-Q104 VanDerWaalsContact O-N 3.08Å; E102-Q104 VanDerWaalsContact C-N 3.3Å; E102-Q104 PolarHBondContact O-N 2.87Å; Q104-S106 VanDerWaalsContact C-N 3.28Å; Q104-S106 PolarHBondContact O-N 2.88Å; Q104-Q107 PolarHBondContact O-N 2.86Å
105	M	65.9	Low	73.8	Confident	73 Å²	73	91.8 Å²	91.8	36%	0.36	46%	0.46	S	S	.	.	H	α-helix	trans	-65	-31.1	175.6	-65.6	-65.8	99.1	0	0	112.5	V100 K101 E102 E103 Q107 T108	V100-M105 HydrophobicContact CG1-CG 3.52Å; V100-M105 HydrophobicContact CG1-SD 3.95Å; K101-M105 PolarHBondContact O-N 2.77Å; E102-M105 WeakPolarHBondContact O-CB 3.34Å; E102-M105 PolarHBondContact O-N 3.34Å; E102-M105 VanDerWaalsContact O-N 3.08Å; E103-M105 VanDerWaalsContact C-N 3.31Å; E103-M105 PolarHBondContact O-N 2.87Å; M105-Q107 PolarHBondContact O-N 3.43Å; M105-T108 HydrophobicContact CE-CG2 3.79Å; M105-T108 WeakPolarHBondContact O-CB 3.37Å; M105-T108 PolarHBondContact O-N 3.21Å; M105-T108 VanDerWaalsContact O-N 3.12Å; M105-T108 PolarHBondContact O-OG1 2.9Å; M105-T108 HydrophobicContact SD-CG2 4.14Å
106	S	68.8	Low	75.7	Confident	74 Å²	74	93 Å²	93	52%	0.517	47%	0.467	S	S	.	.	H	α-helix	trans	-59.9	-32.7	177.5	74.8	0	0	0	0	113.2	R81 E102 E103 Q104	R81-S106 PolarHBondContact NH2-O 3.02Å; E102-S106 PolarHBondContact O-N 3.25Å; E103-S106 WeakPolarHBondContact O-CB 3.47Å; E103-S106 PolarHBondContact O-N 2.83Å; E103-S106 PolarHBondContact O-OG 3.45Å; Q104-S106 VanDerWaalsContact C-N 3.28Å; Q104-S106 PolarHBondContact O-N 2.88Å
107	Q	79.1	Confident	77.7	Confident	161 Å²	161	94.4 Å²	94.4	75%	0.752	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-2.5	-179.5	-65.6	-175.2	-21.6	0	0	113.5	Q104 M105	Q104-Q107 PolarHBondContact O-N 2.86Å; M105-Q107 PolarHBondContact O-N 3.43Å
108	T	83.3	Confident	79.6	Confident	65 Å²	65	89.9 Å²	89.9	40%	0.399	45%	0.447	S	S	.	.			trans	-64	144.4	178.9	58.9	0	0	0	0	112	R81 M105	R81-T108 WeakPolarHBondContact CG-O 3.46Å; R81-T108 PolarHBondContact NE-O 2.76Å; M105-T108 HydrophobicContact CE-CG2 3.79Å; M105-T108 WeakPolarHBondContact O-CB 3.37Å; M105-T108 PolarHBondContact O-N 3.21Å; M105-T108 VanDerWaalsContact O-N 3.12Å; M105-T108 PolarHBondContact O-OG1 2.9Å; M105-T108 HydrophobicContact SD-CG2 4.14Å
109	Q	90.6	Very high	81.6	Confident	94 Å²	94	84.1 Å²	84.1	44%	0.439	43%	0.425	S	S	.	.			trans	-149.1	153.6	173.2	53	178.4	0.3	0	0	109.9	K80 F111 S114	K80-Q109 CarbonylContact O-C 3.55Å; K80-Q109 WeakPolarHBondContact O-CA 3.4Å; K80-Q109 WeakPolarHBondContact O-CB 3.47Å; Q109-F111 PolarHBondContact O-N 3.35Å; Q109-S114 PolarHBondContact NE2-OG 3.39Å
110	L	92.7	Very high	83.8	Confident	67 Å²	67	78 Å²	78	35%	0.351	39%	0.393	S	S	.	.			trans	-66.4	128.2	175.6	177.5	64.9	0	0	0	109.6	K80 T112 R113 S114	K80-L110 PolarHBondContact O-N 2.89Å; L110-T112 VanDerWaalsContact C-N 3.34Å; L110-T112 PolarHBondContact O-N 3.07Å; L110-R113 HydrophobicContact CD2-CG 4.22Å; L110-R113 CarbonylContact O-C 3.58Å; L110-R113 WeakPolarHBondContact O-CA 3.42Å; L110-R113 PolarHBondContact O-N 2.95Å; L110-S114 PolarHBondContact O-N 2.56Å; L110-S114 VanDerWaalsContact O-N 3.11Å; L110-S114 PolarHBondContact O-OG 2.93Å
111	F	97.3	Very high	85.7	Confident	118 Å²	118	76.8 Å²	76.8	52%	0.518	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-54.5	-43.6	-172	177.7	-142.3	0	0	0	114	Q109 R113 S114 T158	Q109-F111 PolarHBondContact O-N 3.35Å; F111-R113 PolarHBondContact O-N 2.78Å; F111-R113 VanDerWaalsContact O-N 3.16Å; F111-S114 WeakPolarHBondContact CA-OG 3.4Å; F111-S114 WeakPolarHBondContact O-CB 3.48Å; F111-S114 PolarHBondContact O-N 3.18Å; F111-S114 PolarHBondContact O-OG 3.33Å; F111-T158 HydrophobicContact CD1-CG2 3.53Å; F111-T158 HydrophobicContact CE1-CG2 3.54Å; F111-T158 WeakPolarHBondContact CE1-OG1 3.45Å
112	T	98.1	Very high	87.5	Confident	4 Å²	4	70.4 Å²	70.4	3%	0.025	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-69	-7.3	175.9	53.6	0	0	0	0	114.3	L110 F121 Y123 T158 S162	L110-T112 VanDerWaalsContact C-N 3.34Å; L110-T112 PolarHBondContact O-N 3.07Å; T112-F121 HydrophobicContact CG2-CD2 4.49Å; T112-F121 HydrophobicContact CG2-CG 4.44Å; T112-F121 WeakPolarHBondContact O-CB 3.04Å; T112-Y123 PolarHBondContact OG1-OH 2.97Å; T112-T158 HydrophobicContact CG2-CG2 3.73Å; T112-S162 WeakPolarHBondContact CG2-OG 3.34Å
113	R	97.6	Very high	89.5	Confident	8 Å²	8	62.8 Å²	62.8	3%	0.03	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-119.8	13.2	174.5	-59.8	-62.2	-172.5	-178.7	3.3	112.4	Y46 S47 S78 K80 L110 F111 F115 Y123	Y46-R113 VanDerWaalsContact C-NH2 3.34Å; Y46-R113 PolarHBondContact O-NH1 3.22Å; Y46-R113 VanDerWaalsContact O-NH1 3.11Å; Y46-R113 PolarHBondContact O-NH2 3.48Å; Y46-R113 VanDerWaalsContact O-NH2 3.11Å; S47-R113 PolarHBondContact OG-NH2 2.74Å; S78-R113 PolarHBondContact OG-NE 3.13Å; K80-R113 WeakPolarHBondContact CD-O 3.35Å; K80-R113 WeakPolarHBondContact CE-O 3.25Å; K80-R113 HydrophobicContact CG-CB 3.92Å; K80-R113 WeakPolarHBondContact CG-O 3.43Å; L110-R113 HydrophobicContact CD2-CG 4.22Å; L110-R113 CarbonylContact O-C 3.58Å; L110-R113 WeakPolarHBondContact O-CA 3.42Å; L110-R113 PolarHBondContact O-N 2.95Å; F111-R113 PolarHBondContact O-N 2.78Å; F111-R113 VanDerWaalsContact O-N 3.16Å; R113-F115 PolarHBondContact O-N 3.49Å; R113-Y123 HydrophobicContact CG-CE1 4.44Å; R113-Y123 PolarHBondContact NH2-O 3.37Å
114	S	96.8	Very high	91.3	Very high	40 Å²	40	54.7 Å²	54.7	28%	0.28	28%	0.283	S	S	.	.	S	Bend	trans	-70	-12	177.2	-66.4	0	0	0	0	115.1	Q109 L110 F111	Q109-S114 PolarHBondContact NE2-OG 3.39Å; L110-S114 PolarHBondContact O-N 2.56Å; L110-S114 VanDerWaalsContact O-N 3.11Å; L110-S114 PolarHBondContact O-OG 2.93Å; F111-S114 WeakPolarHBondContact CA-OG 3.4Å; F111-S114 WeakPolarHBondContact O-CB 3.48Å; F111-S114 PolarHBondContact O-N 3.18Å; F111-S114 PolarHBondContact O-OG 3.33Å
115	F	97.9	Very high	93.1	Very high	57 Å²	57	49.4 Å²	49.4	25%	0.25	26%	0.259	C	S	.	.	S	Bend	trans	-97.8	168.5	-177.3	-61.1	-99.4	0	0	0	110.9	K80 R113 F121 Y143 L144	K80-F115 WeakPolarHBondContact CE-O 3.25Å; K80-F115 PolarHBondContact NZ-O 2.91Å; R113-F115 PolarHBondContact O-N 3.49Å; F115-F121 HydrophobicContact CD2-CD2 4.04Å; F115-F121 HydrophobicContact CD2-CE2 4.34Å; F115-F121 AromaticContact CE2-CD2 3.97Å; F115-F121 HydrophobicContact CE2-CD2 3.97Å; F115-F121 AromaticContact CE2-CE2 3.79Å; F115-F121 HydrophobicContact CE2-CE2 3.79Å; F115-Y143 HydrophobicContact CD1-CD2 4.16Å; F115-Y143 HydrophobicContact CE1-CD2 4.4Å; F115-L144 HydrophobicContact CE2-CD2 4.43Å; F115-L144 HydrophobicContact CZ-CD2 4.16Å
116	D	98.1	Very high	94.6	Very high	106 Å²	106	45.9 Å²	45.9	57%	0.567	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-93.7	157.3	170.4	-63.2	-40.2	0	0	0	111.3	K80 G118 L119	K80-D116 IonicContact NZ-OD1 3.27Å; K80-D116 PolarHBondContact NZ-OD1 3.47Å; D116-G118 PolarHBondContact O-N 2.95Å; D116-L119 HydrophobicContact CB-CD1 4.4Å; D116-L119 PolarHBondContact O-N 3.44Å
117	D	98.4	Very high	96.1	Very high	62 Å²	62	42.5 Å²	42.5	33%	0.332	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	118.7	-169	-63.4	27.9	0	0	0	111.2	K44 E122	K44-D117 IonicContact NZ-OD1 2.71Å; K44-D117 IonicContact NZ-OD2 3.52Å; K44-D117 PolarHBondContact NZ-OD2 2.93Å; D117-E122 VanDerWaalsContact CA-OE1 3.28Å; D117-E122 WeakPolarHBondContact CA-OE1 3.41Å
118	G	98.1	Very high	97	Very high	14 Å²	14	35 Å²	35	14%	0.144	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-17.6	-179.2	0	0	0	0	0	118	S52 D116 E122 G141 P142	S52-G118 WeakPolarHBondContact OG-CA 3.34Å; S52-G118 PolarHBondContact OG-N 3.43Å; D116-G118 PolarHBondContact O-N 2.95Å; G118-E122 PolarHBondContact N-OE1 2.84Å; G118-G141 WeakPolarHBondContact O-CA 3.31Å; G118-P142 WeakPolarHBondContact O-CD 3.18Å
119	L	98.6	Very high	97.6	Very high	59 Å²	59	35.3 Å²	35.3	31%	0.309	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-34.5	-174.9	-62.1	180	0	0	0	113.3	D116 G141 P142 Y143	D116-L119 HydrophobicContact CB-CD1 4.4Å; D116-L119 PolarHBondContact O-N 3.44Å; L119-G141 CarbonylContact O-C 3.56Å; L119-G141 VanDerWaalsContact O-C 3.25Å; L119-G141 WeakPolarHBondContact O-CA 3.3Å; L119-P142 HydrophobicContact CD2-CG 4.37Å; L119-Y143 HydrophobicContact CB-CD2 3.97Å; L119-Y143 HydrophobicContact CB-CE2 4.19Å; L119-Y143 HydrophobicContact CB-CG 4.27Å; L119-Y143 HydrophobicContact CD1-CD2 4.39Å; L119-Y143 HydrophobicContact CD1-CE2 3.78Å; L119-Y143 HydrophobicContact CD2-CE1 4.46Å; L119-Y143 HydrophobicContact CG-CE2 4.44Å; L119-Y143 WeakPolarHBondContact O-CB 3.49Å; L119-Y143 PolarHBondContact O-N 2.94Å
120	G	98.6	Very high	97.9	Very high	1 Å²	1	37 Å²	37	1%	0.01	20%	0.199	C	C	.	.	S	Bend	trans	-117.1	-122.9	-176.3	0	0	0	0	0	113.4	E122 G141 L144	G120-E122 PolarHBondContact O-N 2.84Å; G120-G141 WeakPolarHBondContact O-CA 3.13Å; G120-G141 PolarHBondContact O-N 3.03Å; G120-L144 WeakPolarHBondContact O-CD1 3.37Å
121	F	98.8	Very high	98.1	Very high	9 Å²	9	38 Å²	38	4%	0.039	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	102.1	-177.7	-54.1	-95.3	0	0	0	111.8	T112 F115 Y123 F138 L144 A155 T158 I159	T112-F121 HydrophobicContact CG2-CD2 4.49Å; T112-F121 HydrophobicContact CG2-CG 4.44Å; T112-F121 WeakPolarHBondContact O-CB 3.04Å; F115-F121 HydrophobicContact CD2-CD2 4.04Å; F115-F121 HydrophobicContact CD2-CE2 4.34Å; F115-F121 AromaticContact CE2-CD2 3.97Å; F115-F121 HydrophobicContact CE2-CD2 3.97Å; F115-F121 AromaticContact CE2-CE2 3.79Å; F115-F121 HydrophobicContact CE2-CE2 3.79Å; F121-Y123 HydrophobicContact CB-CD1 4.1Å; F121-Y123 HydrophobicContact CB-CE1 4.47Å; F121-F138 HydrophobicContact CB-CE2 4.21Å; F121-F138 AromaticContact CD1-CE2 3.68Å; F121-F138 HydrophobicContact CD1-CE2 3.68Å; F121-F138 HydrophobicContact CD1-CZ 4.04Å; F121-F138 HydrophobicContact CG-CE2 4.37Å; F121-L144 HydrophobicContact CD1-CD1 3.61Å; F121-L144 HydrophobicContact CD2-CD1 4.27Å; F121-L144 HydrophobicContact CD2-CD2 4.01Å; F121-L144 HydrophobicContact CE1-CD1 3.77Å; F121-L144 HydrophobicContact CE1-CD2 4.19Å; F121-L144 HydrophobicContact CE2-CD1 4.41Å; F121-L144 HydrophobicContact CE2-CD2 3.63Å; F121-L144 HydrophobicContact CG-CD1 3.87Å; F121-L144 HydrophobicContact CG-CD2 4.45Å; F121-L144 HydrophobicContact CZ-CD1 4.18Å; F121-L144 HydrophobicContact CZ-CD2 3.73Å; F121-A155 HydrophobicContact CE1-CB 3.96Å; F121-A155 WeakPolarHBondContact CE1-O 3.36Å; F121-A155 HydrophobicContact CZ-CB 3.98Å; F121-T158 HydrophobicContact CE1-CG2 4.21Å; F121-T158 HydrophobicContact CE2-CG2 4.5Å; F121-T158 HydrophobicContact CZ-CG2 3.86Å; F121-I159 HydrophobicContact CD1-CB 4.3Å; F121-I159 HydrophobicContact CE1-CB 4.41Å
122	E	98.9	Very high	98.1	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.9	166.8	-75.7	-62.4	172.7	0	0	109.8	N50 S52 W53 L57 D117 G118 G120 F138 Q139	N50-E122 PolarHBondContact ND2-OE1 2.97Å; N50-E122 PolarHBondContact ND2-OE2 2.91Å; S52-E122 PolarHBondContact OG-OE1 3.26Å; W53-E122 PolarHBondContact NE1-OE2 2.93Å; L57-E122 HydrophobicContact CD2-CB 4.39Å; D117-E122 VanDerWaalsContact CA-OE1 3.28Å; D117-E122 WeakPolarHBondContact CA-OE1 3.41Å; G118-E122 PolarHBondContact N-OE1 2.84Å; G120-E122 PolarHBondContact O-N 2.84Å; E122-F138 WeakPolarHBondContact O-CA 3.36Å; E122-Q139 HydrophobicContact CB-CB 4.11Å; E122-Q139 PolarHBondContact N-O 3.11Å; E122-Q139 PolarHBondContact O-N 2.88Å
123	Y	98.9	Very high	98.1	Very high	9 Å²	9	38 Å²	38	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.2	-175.4	76.7	-81.5	0	0	0	114.6	S78 T112 R113 F121 M125 L137 I159	S78-Y123 PolarHBondContact OG-OH 3.45Å; T112-Y123 PolarHBondContact OG1-OH 2.97Å; R113-Y123 HydrophobicContact CG-CE1 4.44Å; R113-Y123 PolarHBondContact NH2-O 3.37Å; F121-Y123 HydrophobicContact CB-CD1 4.1Å; F121-Y123 HydrophobicContact CB-CE1 4.47Å; Y123-M125 HydrophobicContact CD2-CE 4.03Å; Y123-M125 HydrophobicContact CD2-CG 4.29Å; Y123-M125 HydrophobicContact CE2-CE 3.73Å; Y123-M125 HydrophobicContact CE2-CG 4.41Å; Y123-M125 HydrophobicContact CE2-SD 4.2Å; Y123-L137 WeakPolarHBondContact CA-O 3.33Å; Y123-L137 VanDerWaalsContact CB-O 3.3Å; Y123-L137 WeakPolarHBondContact CB-O 3.18Å; Y123-I159 HydrophobicContact CD1-CD1 4.06Å; Y123-I159 HydrophobicContact CD2-CD1 4.04Å; Y123-I159 HydrophobicContact CE1-CD1 4.45Å; Y123-I159 HydrophobicContact CE2-CD1 4.42Å; Y123-I159 HydrophobicContact CG-CD1 3.83Å
124	V	98.9	Very high	98.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	143	174	51.8	0	0	0	0	109.2	W53 L57 F61 R75 F126 C136 L137	W53-V124 HydrophobicContact CH2-CB 3.91Å; W53-V124 HydrophobicContact CH2-CG1 3.77Å; W53-V124 HydrophobicContact CZ3-CG1 4.26Å; L57-V124 HydrophobicContact CD1-CG1 4.49Å; F61-V124 HydrophobicContact CD2-CG1 4.14Å; F61-V124 HydrophobicContact CD2-CG2 4.13Å; F61-V124 HydrophobicContact CE2-CG2 4.27Å; R75-V124 HydrophobicContact CG-CG2 3.8Å; V124-F126 HydrophobicContact CB-CE2 4.43Å; V124-F126 HydrophobicContact CG1-CE2 3.96Å; V124-F126 HydrophobicContact CG2-CD2 4.24Å; V124-F126 HydrophobicContact CG2-CE2 3.63Å; V124-F126 HydrophobicContact CG2-CZ 3.94Å; V124-C136 WeakPolarHBondContact O-CA 3.47Å; V124-L137 HydrophobicContact CG1-CB 3.85Å; V124-L137 HydrophobicContact CG1-CD1 3.92Å; V124-L137 HydrophobicContact CG1-CG 4.12Å; V124-L137 PolarHBondContact N-O 2.87Å; V124-L137 VanDerWaalsContact N-O 3.08Å; V124-L137 PolarHBondContact O-N 2.69Å
125	M	98.9	Very high	98.3	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.039	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.4	-180	-71.9	172	178.3	0	0	111.2	L76 Y123 M134 V135 C136 M166	L76-M125 HydrophobicContact CB-CB 4.24Å; L76-M125 HydrophobicContact CD1-CB 4.36Å; L76-M125 PolarHBondContact N-O 3.05Å; Y123-M125 HydrophobicContact CD2-CE 4.03Å; Y123-M125 HydrophobicContact CD2-CG 4.29Å; Y123-M125 HydrophobicContact CE2-CE 3.73Å; Y123-M125 HydrophobicContact CE2-CG 4.41Å; Y123-M125 HydrophobicContact CE2-SD 4.2Å; M125-M134 HydrophobicContact CB-SD 4.05Å; M125-V135 CarbonylContact C-O 3.54Å; M125-V135 WeakPolarHBondContact CA-O 3.35Å; M125-C136 HydrophobicContact CE-CB 4.18Å; M125-C136 HydrophobicContact CG-CB 3.87Å; M125-M166 HydrophobicContact SD-CB 4.02Å; M125-M166 HydrophobicContact SD-CG 4.11Å
126	F	98.9	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.1	174.4	-63.2	-93.1	0	0	0	109.4	F61 F64 M65 W73 K74 R75 V124 M134 V135 L137	F61-F126 HydrophobicContact CD2-CE2 4.37Å; F61-F126 AromaticContact CD2-CZ 3.82Å; F61-F126 HydrophobicContact CD2-CZ 3.82Å; F61-F126 HydrophobicContact CE2-CZ 4.24Å; F64-F126 HydrophobicContact CB-CD1 3.83Å; F64-F126 HydrophobicContact CB-CD2 3.66Å; F64-F126 HydrophobicContact CB-CE1 3.68Å; F64-F126 HydrophobicContact CB-CE2 3.51Å; F64-F126 HydrophobicContact CB-CG 3.82Å; F64-F126 HydrophobicContact CB-CZ 3.52Å; F64-F126 HydrophobicContact CD1-CB 3.83Å; F64-F126 HydrophobicContact CD1-CD1 4.43Å; F64-F126 HydrophobicContact CD1-CD2 4.02Å; F64-F126 AromaticContact CD1-CG 3.87Å; F64-F126 HydrophobicContact CD1-CG 3.87Å; F64-F126 HydrophobicContact CE1-CB 4.46Å; F64-F126 AromaticContact CG-CD2 3.97Å; F64-F126 HydrophobicContact CG-CD2 3.97Å; F64-F126 HydrophobicContact CG-CE2 4.22Å; F64-F126 HydrophobicContact CG-CG 4.16Å; M65-F126 HydrophobicContact CG-CE1 4.26Å; M65-F126 HydrophobicContact CG-CZ 4.33Å; M65-F126 HydrophobicContact SD-CE1 3.97Å; M65-F126 HydrophobicContact SD-CZ 4.44Å; W73-F126 HydrophobicContact CE3-CB 3.84Å; W73-F126 HydrophobicContact CZ3-CB 4.34Å; W73-F126 WeakPolarHBondContact CZ3-O 3.43Å; K74-F126 WeakPolarHBondContact O-CA 3.28Å; R75-F126 HydrophobicContact CB-CD1 3.78Å; R75-F126 HydrophobicContact CB-CE1 3.64Å; R75-F126 HydrophobicContact CB-CZ 4.49Å; R75-F126 HydrophobicContact CG-CD1 4.13Å; R75-F126 HydrophobicContact CG-CE1 3.74Å; R75-F126 HydrophobicContact CG-CZ 4.11Å; V124-F126 HydrophobicContact CB-CE2 4.43Å; V124-F126 HydrophobicContact CG1-CE2 3.96Å; V124-F126 HydrophobicContact CG2-CD2 4.24Å; V124-F126 HydrophobicContact CG2-CE2 3.63Å; V124-F126 HydrophobicContact CG2-CZ 3.94Å; F126-M134 WeakPolarHBondContact O-CA 3.22Å; F126-V135 PolarHBondContact N-O 2.78Å; F126-V135 PolarHBondContact O-N 3.47Å; F126-L137 HydrophobicContact CD2-CD1 4.45Å; F126-L137 HydrophobicContact CD2-CG 4.5Å; F126-L137 HydrophobicContact CE2-CD1 3.83Å; F126-L137 HydrophobicContact CE2-CG 4.31Å
127	Y	98.7	Very high	98.3	Very high	3 Å²	3	28 Å²	28	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133	-177.1	-174.8	-118.1	0	0	0	111.9	W73 K74 D129 K132 R133 M134 M170	W73-Y127 CarbonylContact C-O 3.56Å; W73-Y127 WeakPolarHBondContact CA-O 3.49Å; K74-Y127 PolarHBondContact N-O 3.07Å; K74-Y127 PolarHBondContact O-N 2.98Å; Y127-D129 HydrophobicContact CD1-CB 4.26Å; Y127-D129 HydrophobicContact CE1-CB 3.74Å; Y127-D129 WeakPolarHBondContact CE1-OD1 3.44Å; Y127-K132 WeakPolarHBondContact OH-CD 3.41Å; Y127-R133 WeakPolarHBondContact CD2-O 3.31Å; Y127-M134 HydrophobicContact CD2-CB 4.43Å; Y127-M134 HydrophobicContact CD2-CE 3.46Å; Y127-M134 VanDerWaalsContact CD2-CE 3.46Å; Y127-M134 HydrophobicContact CD2-SD 4.07Å; Y127-M134 HydrophobicContact CE2-CE 4.22Å; Y127-M134 HydrophobicContact CG-CE 3.99Å; Y127-M134 HydrophobicContact CG-SD 4.42Å; Y127-M170 HydrophobicContact CD1-CB 4.15Å; Y127-M170 HydrophobicContact CD1-CE 3.61Å; Y127-M170 HydrophobicContact CD1-CG 4.29Å; Y127-M170 HydrophobicContact CD2-CB 4.25Å; Y127-M170 HydrophobicContact CD2-CG 4.42Å; Y127-M170 HydrophobicContact CE1-CB 3.72Å; Y127-M170 HydrophobicContact CE1-CE 3.94Å; Y127-M170 HydrophobicContact CE1-CG 4.37Å; Y127-M170 HydrophobicContact CE2-CB 3.84Å; Y127-M170 HydrophobicContact CE2-CG 4.5Å; Y127-M170 HydrophobicContact CG-CB 4.38Å; Y127-M170 HydrophobicContact CG-CE 4.29Å; Y127-M170 HydrophobicContact CG-CG 4.31Å
128	S	98.4	Very high	98.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.014	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	109.4	167.5	174.6	0	0	0	0	108.4	V130 E131 K132 R133	S128-V130 VanDerWaalsContact C-N 3.33Å; S128-E131 WeakPolarHBondContact CB-OE1 3.14Å; S128-E131 WeakPolarHBondContact OG-CB 3.42Å; S128-E131 WeakPolarHBondContact OG-CG 3.44Å; S128-E131 PolarHBondContact OG-N 2.88Å; S128-E131 PolarHBondContact OG-OE1 2.89Å; S128-K132 WeakPolarHBondContact O-CA 3.29Å; S128-K132 PolarHBondContact O-N 2.73Å; S128-R133 PolarHBondContact N-O 3.08Å; S128-R133 PolarHBondContact O-N 2.76Å; S128-R133 VanDerWaalsContact O-N 3.07Å
129	D	96.9	Very high	98.4	Very high	72 Å²	72	25 Å²	25	39%	0.385	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-29.7	-179.4	-172.6	70.5	0	0	0	111.9	Y127 K132	Y127-D129 HydrophobicContact CD1-CB 4.26Å; Y127-D129 HydrophobicContact CE1-CB 3.74Å; Y127-D129 WeakPolarHBondContact CE1-OD1 3.44Å; D129-K132 VanDerWaalsContact O-CD 3.27Å; D129-K132 WeakPolarHBondContact O-CD 3.38Å; D129-K132 WeakPolarHBondContact O-CE 3.16Å; D129-K132 PolarHBondContact O-N 2.89Å; D129-K132 PolarHBondContact O-NZ 2.83Å; D129-K132 IonicContact OD1-NZ 2.89Å; D129-K132 PolarHBondContact OD1-NZ 3.14Å; D129-K132 IonicContact OD2-NZ 3.75Å; D129-K132 PolarHBondContact OD2-NZ 2.74Å
130	V	95.8	Very high	98.4	Very high	131 Å²	131	22.2 Å²	22.2	79%	0.794	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-42.5	178.1	-178.1	0	0	0	0	110.9	S128 K132	S128-V130 VanDerWaalsContact C-N 3.33Å; V130-K132 VanDerWaalsContact C-N 3.35Å
131	E	96.7	Very high	98.4	Very high	88 Å²	88	22.2 Å²	22.2	41%	0.411	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.6	177.1	-63.5	169.2	-108	0	0	113.6	W73 S128 R133	W73-E131 VanDerWaalsContact CZ2-OE1 3.24Å; W73-E131 WeakPolarHBondContact CZ2-OE1 3.2Å; S128-E131 WeakPolarHBondContact CB-OE1 3.14Å; S128-E131 WeakPolarHBondContact OG-CB 3.42Å; S128-E131 WeakPolarHBondContact OG-CG 3.44Å; S128-E131 PolarHBondContact OG-N 2.88Å; S128-E131 PolarHBondContact OG-OE1 2.89Å; E131-R133 HydrophobicContact CB-CB 3.65Å; E131-R133 PolarHBondContact O-N 3.13Å; E131-R133 VanDerWaalsContact OE2-CD 3.26Å; E131-R133 WeakPolarHBondContact OE2-CD 3.4Å; E131-R133 IonicContact OE2-CZ 2.67Å; E131-R133 IonicContact OE2-NE 3.22Å; E131-R133 PolarHBondContact OE2-NE 3.26Å
132	K	97.6	Very high	98.4	Very high	67 Å²	67	24.7 Å²	24.7	29%	0.291	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	42	-162.8	-57.8	-63.9	-179.3	-130.1	0	112	Y127 S128 D129 V130 C167 A171 L200	Y127-K132 WeakPolarHBondContact OH-CD 3.41Å; S128-K132 WeakPolarHBondContact O-CA 3.29Å; S128-K132 PolarHBondContact O-N 2.73Å; D129-K132 VanDerWaalsContact O-CD 3.27Å; D129-K132 WeakPolarHBondContact O-CD 3.38Å; D129-K132 WeakPolarHBondContact O-CE 3.16Å; D129-K132 PolarHBondContact O-N 2.89Å; D129-K132 PolarHBondContact O-NZ 2.83Å; D129-K132 IonicContact OD1-NZ 2.89Å; D129-K132 PolarHBondContact OD1-NZ 3.14Å; D129-K132 IonicContact OD2-NZ 3.75Å; D129-K132 PolarHBondContact OD2-NZ 2.74Å; V130-K132 VanDerWaalsContact C-N 3.35Å; K132-C167 PolarHBondContact O-SG 3.34Å; K132-A171 HydrophobicContact CD-CB 4.44Å; K132-L200 HydrophobicContact CB-CB 3.94Å; K132-L200 HydrophobicContact CB-CD2 4.31Å; K132-L200 HydrophobicContact CG-CD2 4.44Å; K132-L200 PolarHBondContact O-N 3.16Å; K132-L200 VanDerWaalsContact O-N 3.08Å
133	R	98.4	Very high	98.4	Very high	53 Å²	53	31.8 Å²	31.8	20%	0.2	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.6	-175.8	-175.3	-179.3	-62.6	-65.5	-11.2	110.9	W73 Y127 S128 E131 N197 S198	W73-R133 HydrophobicContact CH2-CB 4.3Å; W73-R133 HydrophobicContact CH2-CG 3.93Å; Y127-R133 WeakPolarHBondContact CD2-O 3.31Å; S128-R133 PolarHBondContact N-O 3.08Å; S128-R133 PolarHBondContact O-N 2.76Å; S128-R133 VanDerWaalsContact O-N 3.07Å; E131-R133 HydrophobicContact CB-CB 3.65Å; E131-R133 PolarHBondContact O-N 3.13Å; E131-R133 VanDerWaalsContact OE2-CD 3.26Å; E131-R133 WeakPolarHBondContact OE2-CD 3.4Å; E131-R133 IonicContact OE2-CZ 2.67Å; E131-R133 IonicContact OE2-NE 3.22Å; E131-R133 PolarHBondContact OE2-NE 3.26Å; R133-N197 WeakPolarHBondContact CD-OD1 3.29Å; R133-N197 PolarHBondContact NH1-OD1 2.86Å; R133-S198 CarbonylContact C-O 3.57Å; R133-S198 WeakPolarHBondContact CA-O 3.31Å; R133-S198 VanDerWaalsContact CG-O 3.29Å; R133-S198 WeakPolarHBondContact CG-O 3.27Å
134	M	98.8	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.8	170.4	-170.8	73.1	67.4	0	0	109.1	L76 M125 F126 Y127 T163 M166 C167 M170 S198	L76-M134 HydrophobicContact CD1-CE 3.69Å; L76-M134 HydrophobicContact CD1-SD 3.77Å; M125-M134 HydrophobicContact CB-SD 4.05Å; F126-M134 WeakPolarHBondContact O-CA 3.22Å; Y127-M134 HydrophobicContact CD2-CB 4.43Å; Y127-M134 HydrophobicContact CD2-CE 3.46Å; Y127-M134 VanDerWaalsContact CD2-CE 3.46Å; Y127-M134 HydrophobicContact CD2-SD 4.07Å; Y127-M134 HydrophobicContact CE2-CE 4.22Å; Y127-M134 HydrophobicContact CG-CE 3.99Å; Y127-M134 HydrophobicContact CG-SD 4.42Å; M134-T163 HydrophobicContact CB-CG2 4.45Å; M134-T163 HydrophobicContact CG-CG2 3.97Å; M134-M166 HydrophobicContact CE-CB 3.95Å; M134-M166 HydrophobicContact CE-CG 3.58Å; M134-M166 HydrophobicContact SD-CG 4.48Å; M134-C167 HydrophobicContact CB-CB 3.74Å; M134-C167 HydrophobicContact CE-CB 4.42Å; M134-M170 HydrophobicContact CE-CG 3.92Å; M134-S198 WeakPolarHBondContact CB-OG 3.19Å; M134-S198 PolarHBondContact N-O 2.97Å; M134-S198 PolarHBondContact O-N 3.42Å
135	V	98.9	Very high	98.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.2	167.7	177	0	0	0	0	108.7	F64 W73 M125 F126 L137 M195 I196 N197	F64-V135 HydrophobicContact CE1-CB 3.83Å; F64-V135 HydrophobicContact CE1-CG1 4.01Å; F64-V135 HydrophobicContact CE1-CG2 3.94Å; F64-V135 HydrophobicContact CE2-CG1 4.22Å; F64-V135 HydrophobicContact CZ-CB 3.95Å; F64-V135 HydrophobicContact CZ-CG1 3.66Å; F64-V135 HydrophobicContact CZ-CG2 3.95Å; W73-V135 HydrophobicContact CH2-CG2 3.7Å; W73-V135 HydrophobicContact CZ3-CB 4.13Å; W73-V135 HydrophobicContact CZ3-CG2 3.79Å; M125-V135 CarbonylContact C-O 3.54Å; M125-V135 WeakPolarHBondContact CA-O 3.35Å; F126-V135 PolarHBondContact N-O 2.78Å; F126-V135 PolarHBondContact O-N 3.47Å; V135-L137 HydrophobicContact CG1-CD2 3.94Å; V135-M195 HydrophobicContact CG1-CG 3.53Å; V135-M195 HydrophobicContact CG1-SD 3.75Å; V135-I196 WeakPolarHBondContact CA-O 3.5Å; V135-N197 HydrophobicContact CG2-CB 4.4Å
136	C	98.9	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.2	168.3	-171.6	0	0	0	0	109.1	V124 M125 T163 I196	V124-C136 WeakPolarHBondContact O-CA 3.47Å; M125-C136 HydrophobicContact CE-CB 4.18Å; M125-C136 HydrophobicContact CG-CB 3.87Å; C136-T163 HydrophobicContact CB-CG2 3.61Å; C136-T163 WeakPolarHBondContact CB-OG1 3.47Å; C136-I196 HydrophobicContact CB-CB 4.15Å; C136-I196 HydrophobicContact CB-CD1 4.37Å; C136-I196 PolarHBondContact N-O 3.09Å; C136-I196 PolarHBondContact O-N 3.41Å
137	L	98.9	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125	167.5	-46.8	179.3	0	0	0	107	L57 L60 F61 F64 Y123 V124 F126 V135 M195	L57-L137 HydrophobicContact CD1-CB 3.5Å; L57-L137 HydrophobicContact CD1-CD1 4.44Å; L60-L137 HydrophobicContact CB-CD1 3.64Å; L60-L137 HydrophobicContact CB-CD2 4.07Å; L60-L137 HydrophobicContact CB-CG 4.43Å; L60-L137 HydrophobicContact CD1-CD2 4.15Å; F61-L137 HydrophobicContact CB-CD1 4.38Å; F64-L137 HydrophobicContact CD2-CD1 4.5Å; F64-L137 HydrophobicContact CD2-CD2 4.28Å; F64-L137 HydrophobicContact CE2-CD2 4.24Å; Y123-L137 WeakPolarHBondContact CA-O 3.33Å; Y123-L137 VanDerWaalsContact CB-O 3.3Å; Y123-L137 WeakPolarHBondContact CB-O 3.18Å; V124-L137 HydrophobicContact CG1-CB 3.85Å; V124-L137 HydrophobicContact CG1-CD1 3.92Å; V124-L137 HydrophobicContact CG1-CG 4.12Å; V124-L137 PolarHBondContact N-O 2.87Å; V124-L137 VanDerWaalsContact N-O 3.08Å; V124-L137 PolarHBondContact O-N 2.69Å; F126-L137 HydrophobicContact CD2-CD1 4.45Å; F126-L137 HydrophobicContact CD2-CG 4.5Å; F126-L137 HydrophobicContact CE2-CD1 3.83Å; F126-L137 HydrophobicContact CE2-CG 4.31Å; V135-L137 HydrophobicContact CG1-CD2 3.94Å; L137-M195 HydrophobicContact CD2-CG 4.32Å
138	F	98.9	Very high	98.2	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.4	-172.3	166.4	-123.9	0	0	0	111.9	F121 E122 L144 I159 V193 V194 I196	F121-F138 HydrophobicContact CB-CE2 4.21Å; F121-F138 AromaticContact CD1-CE2 3.68Å; F121-F138 HydrophobicContact CD1-CE2 3.68Å; F121-F138 HydrophobicContact CD1-CZ 4.04Å; F121-F138 HydrophobicContact CG-CE2 4.37Å; E122-F138 WeakPolarHBondContact O-CA 3.36Å; F138-L144 HydrophobicContact CE2-CD1 4.08Å; F138-L144 HydrophobicContact CZ-CD1 3.87Å; F138-I159 HydrophobicContact CB-CG1 4.14Å; F138-I159 HydrophobicContact CD1-CG1 4.24Å; F138-I159 HydrophobicContact CD1-CG2 3.79Å; F138-I159 HydrophobicContact CD2-CD1 4.4Å; F138-I159 HydrophobicContact CD2-CG1 4Å; F138-I159 HydrophobicContact CE1-CG2 3.78Å; F138-I159 HydrophobicContact CG-CG1 3.86Å; F138-I159 HydrophobicContact CG-CG2 4.28Å; F138-I159 HydrophobicContact CZ-CG2 4.25Å; F138-V193 WeakPolarHBondContact O-CA 3.45Å; F138-V194 HydrophobicContact CB-CG2 4.22Å; F138-V194 HydrophobicContact CD1-CG2 3.59Å; F138-V194 HydrophobicContact CE1-CG2 4.46Å; F138-V194 HydrophobicContact CG-CG2 4.36Å; F138-V194 PolarHBondContact N-O 3.27Å; F138-V194 PolarHBondContact O-N 3.22Å; F138-I196 HydrophobicContact CB-CD1 4.43Å
139	Q	98.9	Very high	98.2	Very high	11 Å²	11	48.1 Å²	48.1	5%	0.051	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.8	169	-177.9	-174.4	-66.8	0	0	108.9	S52 N54 L57 E122 S192 V193	S52-Q139 PolarHBondContact O-NE2 3.28Å; N54-Q139 VanDerWaalsContact CG-OE1 3.29Å; L57-Q139 HydrophobicContact CD2-CB 3.81Å; E122-Q139 HydrophobicContact CB-CB 4.11Å; E122-Q139 PolarHBondContact N-O 3.11Å; E122-Q139 PolarHBondContact O-N 2.88Å; Q139-S192 WeakPolarHBondContact CA-O 3.28Å; Q139-V193 HydrophobicContact CB-CG2 4.03Å; Q139-V193 HydrophobicContact CG-CG2 4.22Å
140	G	98.5	Very high	98.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	107.4	-178.9	0	0	0	0	0	112.6	C191	G140-C191 WeakPolarHBondContact O-CA 3.38Å; G140-C191 PolarHBondContact O-N 3.2Å
141	G	98.6	Very high	98.5	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	23%	0.229	C	C	.	.			trans	-69.5	166.8	177	0	0	0	0	0	114.3	G118 L119 G120 Y143 L144	G118-G141 WeakPolarHBondContact O-CA 3.31Å; L119-G141 CarbonylContact O-C 3.56Å; L119-G141 VanDerWaalsContact O-C 3.25Å; L119-G141 WeakPolarHBondContact O-CA 3.3Å; G120-G141 WeakPolarHBondContact O-CA 3.13Å; G120-G141 PolarHBondContact O-N 3.03Å; G141-Y143 VanDerWaalsContact C-N 3.29Å; G141-Y143 PolarHBondContact O-N 2.78Å; G141-L144 WeakPolarHBondContact O-CB 3.38Å; G141-L144 PolarHBondContact O-N 3.11Å
142	P	98.6	Very high	98.6	Very high	61 Å²	61	42.7 Å²	42.7	40%	0.396	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-63.1	-25.7	-171.6	25.3	-35.8	0	0	0	114.7	G118 L119 L144 E145	G118-P142 WeakPolarHBondContact O-CD 3.18Å; L119-P142 HydrophobicContact CD2-CG 4.37Å; P142-L144 PolarHBondContact O-N 2.85Å; P142-E145 PolarHBondContact O-N 2.87Å
143	Y	98.8	Very high	98.6	Very high	157 Å²	157	40.8 Å²	40.8	62%	0.616	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-77.8	3.9	177	-65.8	0.9	0	0	0	112.9	F115 L119 G141	F115-Y143 HydrophobicContact CD1-CD2 4.16Å; F115-Y143 HydrophobicContact CE1-CD2 4.4Å; L119-Y143 HydrophobicContact CB-CD2 3.97Å; L119-Y143 HydrophobicContact CB-CE2 4.19Å; L119-Y143 HydrophobicContact CB-CG 4.27Å; L119-Y143 HydrophobicContact CD1-CD2 4.39Å; L119-Y143 HydrophobicContact CD1-CE2 3.78Å; L119-Y143 HydrophobicContact CD2-CE1 4.46Å; L119-Y143 HydrophobicContact CG-CE2 4.44Å; L119-Y143 WeakPolarHBondContact O-CB 3.49Å; L119-Y143 PolarHBondContact O-N 2.94Å; G141-Y143 VanDerWaalsContact C-N 3.29Å; G141-Y143 PolarHBondContact O-N 2.78Å
144	L	98.8	Very high	98.7	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.047	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-100	14	171.4	-52.1	-175.4	0	0	0	112.7	F115 G120 F121 F138 G141 P142 V151 H152 A155	F115-L144 HydrophobicContact CE2-CD2 4.43Å; F115-L144 HydrophobicContact CZ-CD2 4.16Å; G120-L144 WeakPolarHBondContact O-CD1 3.37Å; F121-L144 HydrophobicContact CD1-CD1 3.61Å; F121-L144 HydrophobicContact CD2-CD1 4.27Å; F121-L144 HydrophobicContact CD2-CD2 4.01Å; F121-L144 HydrophobicContact CE1-CD1 3.77Å; F121-L144 HydrophobicContact CE1-CD2 4.19Å; F121-L144 HydrophobicContact CE2-CD1 4.41Å; F121-L144 HydrophobicContact CE2-CD2 3.63Å; F121-L144 HydrophobicContact CG-CD1 3.87Å; F121-L144 HydrophobicContact CG-CD2 4.45Å; F121-L144 HydrophobicContact CZ-CD1 4.18Å; F121-L144 HydrophobicContact CZ-CD2 3.73Å; F138-L144 HydrophobicContact CE2-CD1 4.08Å; F138-L144 HydrophobicContact CZ-CD1 3.87Å; G141-L144 WeakPolarHBondContact O-CB 3.38Å; G141-L144 PolarHBondContact O-N 3.11Å; P142-L144 PolarHBondContact O-N 2.85Å; L144-V151 HydrophobicContact CB-CG1 4.21Å; L144-V151 CarbonylContact O-C 3.56Å; L144-V151 WeakPolarHBondContact O-CA 3.45Å; L144-H152 WeakPolarHBondContact O-CB 3.24Å; L144-H152 PolarHBondContact O-N 3.22Å; L144-A155 HydrophobicContact CB-CB 4.08Å; L144-A155 HydrophobicContact CD1-CB 4.39Å; L144-A155 HydrophobicContact CD2-CB 4.22Å; L144-A155 HydrophobicContact CG-CB 4.47Å
145	E	98.7	Very high	98.7	Very high	101 Å²	101	40.2 Å²	40.2	47%	0.472	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-60	143.5	175.8	-172.9	164.5	-115.1	0	0	112.7	P142 P148 G149 F150 L190	P142-E145 PolarHBondContact O-N 2.87Å; E145-P148 WeakPolarHBondContact OE1-CA 3.15Å; E145-G149 PolarHBondContact OE1-N 2.81Å; E145-F150 WeakPolarHBondContact CA-O 3.25Å; E145-L190 HydrophobicContact CB-CD1 3.82Å; E145-L190 HydrophobicContact CB-CD2 4.35Å; E145-L190 HydrophobicContact CG-CD1 3.89Å; E145-L190 WeakPolarHBondContact OE1-CD1 3.44Å
146	G	98.2	Very high	98.7	Very high	35 Å²	35	40.4 Å²	40.4	36%	0.361	24%	0.241	S	C	.	.	S	Bend	trans	-128.1	-88.4	168.7	0	0	0	0	0	110.5	F150	G146-F150 PolarHBondContact N-O 3.11Å
147	P	97.2	Very high	98.7	Very high	70 Å²	70	41.3 Å²	41.3	46%	0.455	25%	0.249	S	C	.	.	S	Bend	trans	-64.2	141.9	160.1	-11.4	27.6	0	0	0	109.5	G149 F150	P147-G149 PolarHBondContact O-N 3.04Å; P147-F150 HydrophobicContact CB-CB 4.38Å; P147-F150 HydrophobicContact CB-CD2 4.36Å; P147-F150 HydrophobicContact CG-CB 4.46Å; P147-F150 PolarHBondContact O-N 3.11Å
148	P	98.4	Very high	98.7	Very high	112 Å²	112	42.7 Å²	42.7	73%	0.727	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	125.7	-179.1	-29.6	36.1	0	0	0	113.2	E145 F150	E145-P148 WeakPolarHBondContact OE1-CA 3.15Å; P148-F150 VanDerWaalsContact C-N 3.35Å; P148-F150 VanDerWaalsContact O-CD2 3.26Å; P148-F150 WeakPolarHBondContact O-CD2 3.41Å
149	G	98.4	Very high	98.7	Very high	37 Å²	37	42.8 Å²	42.8	38%	0.381	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-2	-177	0	0	0	0	0	115.9	E145 P147 L190	E145-G149 PolarHBondContact OE1-N 2.81Å; P147-G149 PolarHBondContact O-N 3.04Å; G149-L190 PolarHBondContact O-N 2.97Å
150	F	98.9	Very high	98.7	Very high	73 Å²	73	42.2 Å²	42.2	32%	0.32	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-128.9	147.6	-174.6	-59.9	-79.4	0	0	0	113.5	E145 G146 P147 P148 H152 P187 I188 P189	E145-F150 WeakPolarHBondContact CA-O 3.25Å; G146-F150 PolarHBondContact N-O 3.11Å; P147-F150 HydrophobicContact CB-CB 4.38Å; P147-F150 HydrophobicContact CB-CD2 4.36Å; P147-F150 HydrophobicContact CG-CB 4.46Å; P147-F150 PolarHBondContact O-N 3.11Å; P148-F150 VanDerWaalsContact C-N 3.35Å; P148-F150 VanDerWaalsContact O-CD2 3.26Å; P148-F150 WeakPolarHBondContact O-CD2 3.41Å; F150-H152 PolarHBondContact O-N 2.97Å; F150-P187 HydrophobicContact CB-CB 4.33Å; F150-P187 HydrophobicContact CD1-CB 3.59Å; F150-P187 HydrophobicContact CD1-CG 3.93Å; F150-P187 HydrophobicContact CE1-CB 4.01Å; F150-P187 HydrophobicContact CE1-CG 3.79Å; F150-P187 HydrophobicContact CG-CB 3.96Å; F150-P187 HydrophobicContact CZ-CG 4.31Å; F150-I188 CarbonylContact C-O 3.56Å; F150-I188 WeakPolarHBondContact CA-O 3.24Å; F150-P189 HydrophobicContact CE1-CG 4.36Å
151	V	98.8	Very high	98.7	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.03	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-64.8	130.1	176.7	-174.4	0	0	0	0	110.1	L144 A155 I156 I188 L190	L144-V151 HydrophobicContact CB-CG1 4.21Å; L144-V151 CarbonylContact O-C 3.56Å; L144-V151 WeakPolarHBondContact O-CA 3.45Å; V151-A155 HydrophobicContact CG1-CB 3.98Å; V151-I156 HydrophobicContact CB-CD1 4.36Å; V151-I156 HydrophobicContact CB-CG1 4.16Å; V151-I156 HydrophobicContact CG1-CD1 4.48Å; V151-I156 HydrophobicContact CG1-CG1 3.76Å; V151-I188 HydrophobicContact CB-CB 4.24Å; V151-I188 HydrophobicContact CB-CG2 4.5Å; V151-I188 HydrophobicContact CG2-CB 4.14Å; V151-I188 HydrophobicContact CG2-CG2 3.88Å; V151-I188 PolarHBondContact N-O 3.48Å; V151-L190 HydrophobicContact CG2-CD2 4.1Å
152	H	98.9	Very high	98.7	Very high	99 Å²	99	45.9 Å²	45.9	46%	0.458	28%	0.277	S	S	.	.			trans	-59.5	134.9	177.9	-177	-116.3	0	0	0	111.8	L144 F150 G154 A155 I156	L144-H152 WeakPolarHBondContact O-CB 3.24Å; L144-H152 PolarHBondContact O-N 3.22Å; F150-H152 PolarHBondContact O-N 2.97Å; H152-G154 PolarHBondContact ND1-N 2.87Å; H152-G154 PolarHBondContact O-N 3.23Å; H152-G154 VanDerWaalsContact O-N 3.13Å; H152-A155 HydrophobicContact CB-CB 4.37Å; H152-A155 WeakPolarHBondContact O-CA 3.42Å; H152-A155 WeakPolarHBondContact O-CB 3.36Å; H152-A155 PolarHBondContact O-N 3.44Å; H152-I156 PolarHBondContact O-N 2.78Å
153	G	98.8	Very high	98.7	Very high	27 Å²	27	43 Å²	43	28%	0.278	26%	0.258	S	S	.	.	H	α-helix	trans	-54.1	-36.7	-179.6	0	0	0	0	0	113.6	A155 I156 A157 Y184	G153-A155 PolarHBondContact O-N 3.21Å; G153-I156 PolarHBondContact O-N 2.7Å; G153-A157 WeakPolarHBondContact O-CB 3.43Å; G153-A157 PolarHBondContact O-N 3.12Å; G153-Y184 PolarHBondContact O-OH 2.87Å
154	G	98.9	Very high	98.7	Very high	33 Å²	33	35.5 Å²	35.5	34%	0.34	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-31.2	173.9	0	0	0	0	0	114.3	H152 T158	H152-G154 PolarHBondContact ND1-N 2.87Å; H152-G154 PolarHBondContact O-N 3.23Å; H152-G154 VanDerWaalsContact O-N 3.13Å; G154-T158 WeakPolarHBondContact O-CB 3.42Å; G154-T158 PolarHBondContact O-N 3.26Å; G154-T158 PolarHBondContact O-OG1 2.78Å
155	A	98.9	Very high	98.7	Very high	8 Å²	8	35.7 Å²	35.7	7%	0.066	23%	0.233	C	C	.	.	H	α-helix	trans	-73.1	-40.4	173.2	0	0	0	0	0	110.9	F121 L144 V151 H152 G153 A157 T158 I159	F121-A155 HydrophobicContact CE1-CB 3.96Å; F121-A155 WeakPolarHBondContact CE1-O 3.36Å; F121-A155 HydrophobicContact CZ-CB 3.98Å; L144-A155 HydrophobicContact CB-CB 4.08Å; L144-A155 HydrophobicContact CD1-CB 4.39Å; L144-A155 HydrophobicContact CD2-CB 4.22Å; L144-A155 HydrophobicContact CG-CB 4.47Å; V151-A155 HydrophobicContact CG1-CB 3.98Å; H152-A155 HydrophobicContact CB-CB 4.37Å; H152-A155 WeakPolarHBondContact O-CA 3.42Å; H152-A155 WeakPolarHBondContact O-CB 3.36Å; H152-A155 PolarHBondContact O-N 3.44Å; G153-A155 PolarHBondContact O-N 3.21Å; A155-A157 VanDerWaalsContact C-N 3.34Å; A155-A157 PolarHBondContact O-N 2.85Å; A155-T158 WeakPolarHBondContact O-CB 3.47Å; A155-T158 PolarHBondContact O-N 3Å; A155-I159 PolarHBondContact O-N 3.4Å; A155-I159 VanDerWaalsContact O-N 3.09Å
156	I	98.9	Very high	98.6	Very high	6 Å²	6	34 Å²	34	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-47.3	171.4	-56	176.8	0	0	0	110.1	V151 H152 G153 T158 I159 I160 Y184 I188	V151-I156 HydrophobicContact CB-CD1 4.36Å; V151-I156 HydrophobicContact CB-CG1 4.16Å; V151-I156 HydrophobicContact CG1-CD1 4.48Å; V151-I156 HydrophobicContact CG1-CG1 3.76Å; H152-I156 PolarHBondContact O-N 2.78Å; G153-I156 PolarHBondContact O-N 2.7Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 3.42Å; I156-I159 VanDerWaalsContact O-CG2 3.32Å; I156-I159 WeakPolarHBondContact O-CG2 3.36Å; I156-I159 PolarHBondContact O-N 3.3Å; I156-I160 HydrophobicContact CG2-CD1 3.86Å; I156-I160 HydrophobicContact CG2-CG1 4.49Å; I156-I160 WeakPolarHBondContact O-CB 3.37Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.36Å; I156-I160 PolarHBondContact O-N 3.08Å; I156-Y184 HydrophobicContact CB-CE1 4.09Å; I156-Y184 HydrophobicContact CD1-CD1 4.49Å; I156-Y184 HydrophobicContact CD1-CE1 4.49Å; I156-Y184 HydrophobicContact CG2-CD1 4.49Å; I156-Y184 HydrophobicContact CG2-CE1 4Å; I156-I188 HydrophobicContact CD1-CB 4.3Å; I156-I188 HydrophobicContact CD1-CD1 3.72Å; I156-I188 HydrophobicContact CD1-CG1 3.97Å; I156-I188 HydrophobicContact CG1-CD1 3.97Å; I156-I188 HydrophobicContact CG2-CD1 4.17Å
157	A	98.9	Very high	98.7	Very high	20 Å²	20	32.3 Å²	32.3	17%	0.165	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-39.9	174.9	0	0	0	0	0	113.1	G153 A155 I160 D161 I182	G153-A157 WeakPolarHBondContact O-CB 3.43Å; G153-A157 PolarHBondContact O-N 3.12Å; A155-A157 VanDerWaalsContact C-N 3.34Å; A155-A157 PolarHBondContact O-N 2.85Å; A157-I160 PolarHBondContact O-N 3.34Å; A157-D161 WeakPolarHBondContact O-CB 3.47Å; A157-D161 PolarHBondContact O-N 3.31Å; A157-I182 HydrophobicContact CB-CD1 3.52Å
158	T	98.9	Very high	98.7	Very high	29 Å²	29	29 Å²	29	18%	0.178	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-45.4	179	-61.1	0	0	0	0	111.9	F111 T112 F121 G154 A155 I156 S162	F111-T158 HydrophobicContact CD1-CG2 3.53Å; F111-T158 HydrophobicContact CE1-CG2 3.54Å; F111-T158 WeakPolarHBondContact CE1-OG1 3.45Å; T112-T158 HydrophobicContact CG2-CG2 3.73Å; F121-T158 HydrophobicContact CE1-CG2 4.21Å; F121-T158 HydrophobicContact CE2-CG2 4.5Å; F121-T158 HydrophobicContact CZ-CG2 3.86Å; G154-T158 WeakPolarHBondContact O-CB 3.42Å; G154-T158 PolarHBondContact O-N 3.26Å; G154-T158 PolarHBondContact O-OG1 2.78Å; A155-T158 WeakPolarHBondContact O-CB 3.47Å; A155-T158 PolarHBondContact O-N 3Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 3.42Å; T158-S162 WeakPolarHBondContact O-CB 3.4Å; T158-S162 PolarHBondContact O-N 3.03Å; T158-S162 PolarHBondContact O-OG 2.75Å
159	I	98.9	Very high	98.5	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-77.7	-28.6	-179.6	-165.2	65.9	0	0	0	112.1	F121 Y123 F138 A155 I156 T163 I196	F121-I159 HydrophobicContact CD1-CB 4.3Å; F121-I159 HydrophobicContact CE1-CB 4.41Å; Y123-I159 HydrophobicContact CD1-CD1 4.06Å; Y123-I159 HydrophobicContact CD2-CD1 4.04Å; Y123-I159 HydrophobicContact CE1-CD1 4.45Å; Y123-I159 HydrophobicContact CE2-CD1 4.42Å; Y123-I159 HydrophobicContact CG-CD1 3.83Å; F138-I159 HydrophobicContact CB-CG1 4.14Å; F138-I159 HydrophobicContact CD1-CG1 4.24Å; F138-I159 HydrophobicContact CD1-CG2 3.79Å; F138-I159 HydrophobicContact CD2-CD1 4.4Å; F138-I159 HydrophobicContact CD2-CG1 4Å; F138-I159 HydrophobicContact CE1-CG2 3.78Å; F138-I159 HydrophobicContact CG-CG1 3.86Å; F138-I159 HydrophobicContact CG-CG2 4.28Å; F138-I159 HydrophobicContact CZ-CG2 4.25Å; A155-I159 PolarHBondContact O-N 3.4Å; A155-I159 VanDerWaalsContact O-N 3.09Å; I156-I159 VanDerWaalsContact O-CG2 3.32Å; I156-I159 WeakPolarHBondContact O-CG2 3.36Å; I156-I159 PolarHBondContact O-N 3.3Å; I159-T163 WeakPolarHBondContact O-CB 3.46Å; I159-T163 PolarHBondContact O-N 2.93Å; I159-T163 VanDerWaalsContact O-N 3.11Å; I159-T163 PolarHBondContact O-OG1 3.35Å; I159-I196 HydrophobicContact CB-CD1 4.15Å; I159-I196 HydrophobicContact CG1-CD1 3.67Å; I159-I196 HydrophobicContact CG2-CD1 3.67Å
160	I	98.9	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-58.6	166.7	-73.2	170.7	0	0	0	109.9	I156 A157 S162 T163 V164 L180 I182 V214 A226	I156-I160 HydrophobicContact CG2-CD1 3.86Å; I156-I160 HydrophobicContact CG2-CG1 4.49Å; I156-I160 WeakPolarHBondContact O-CB 3.37Å; I156-I160 VanDerWaalsContact O-CG1 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.36Å; I156-I160 PolarHBondContact O-N 3.08Å; A157-I160 PolarHBondContact O-N 3.34Å; I160-S162 VanDerWaalsContact C-N 3.28Å; I160-S162 PolarHBondContact O-N 2.97Å; I160-T163 CarbonylContact O-C 3.37Å; I160-T163 WeakPolarHBondContact O-CA 3.12Å; I160-T163 WeakPolarHBondContact O-CB 3.45Å; I160-T163 PolarHBondContact O-N 3.3Å; I160-V164 HydrophobicContact CG2-CG2 4.42Å; I160-V164 WeakPolarHBondContact O-CG2 3.06Å; I160-V164 PolarHBondContact O-N 3.26Å; I160-L180 HydrophobicContact CG2-CD1 3.94Å; I160-I182 HydrophobicContact CD1-CD1 4.14Å; I160-I182 HydrophobicContact CD1-CG1 4.29Å; I160-I182 HydrophobicContact CD1-CG2 3.92Å; I160-I182 HydrophobicContact CG2-CD1 4.44Å; I160-V214 HydrophobicContact CD1-CG2 3.86Å; I160-V214 HydrophobicContact CG1-CG2 3.87Å; I160-A226 HydrophobicContact CD1-CB 4.48Å; I160-A226 HydrophobicContact CG2-CB 3.92Å
161	D	98.9	Very high	98.1	Very high	51 Å²	51	26.3 Å²	26.3	27%	0.273	16%	0.163	S	C	.	.	H	α-helix	trans	-54	-45.2	-179.2	-177.2	73.1	0	0	0	111.4	A157 T163 G165 T177 L180	A157-D161 WeakPolarHBondContact O-CB 3.47Å; A157-D161 PolarHBondContact O-N 3.31Å; D161-T163 VanDerWaalsContact C-N 3.26Å; D161-T163 PolarHBondContact O-N 3.44Å; D161-G165 WeakPolarHBondContact O-CA 3.48Å; D161-G165 PolarHBondContact O-N 2.89Å; D161-T177 WeakPolarHBondContact OD1-CG2 3.33Å; D161-T177 PolarHBondContact OD1-OG1 2.82Å; D161-L180 HydrophobicContact CB-CD2 3.79Å
162	S	98.6	Very high	97.6	Very high	29 Å²	29	26.3 Å²	26.3	20%	0.203	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-37.7	174.6	-60.4	0	0	0	0	112.8	T112 T158 I160 M166	T112-S162 WeakPolarHBondContact CG2-OG 3.34Å; T158-S162 WeakPolarHBondContact O-CB 3.4Å; T158-S162 PolarHBondContact O-N 3.03Å; T158-S162 PolarHBondContact O-OG 2.75Å; I160-S162 VanDerWaalsContact C-N 3.28Å; I160-S162 PolarHBondContact O-N 2.97Å; S162-M166 VanDerWaalsContact O-CB 3.25Å; S162-M166 WeakPolarHBondContact O-CB 3.39Å; S162-M166 PolarHBondContact O-N 2.92Å; S162-M166 VanDerWaalsContact O-N 3.13Å
163	T	98.9	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-79.6	-48	-178.3	-53	0	0	0	0	112.2	M134 C136 I159 I160 D161 C167 I196	M134-T163 HydrophobicContact CB-CG2 4.45Å; M134-T163 HydrophobicContact CG-CG2 3.97Å; C136-T163 HydrophobicContact CB-CG2 3.61Å; C136-T163 WeakPolarHBondContact CB-OG1 3.47Å; I159-T163 WeakPolarHBondContact O-CB 3.46Å; I159-T163 PolarHBondContact O-N 2.93Å; I159-T163 VanDerWaalsContact O-N 3.11Å; I159-T163 PolarHBondContact O-OG1 3.35Å; I160-T163 CarbonylContact O-C 3.37Å; I160-T163 WeakPolarHBondContact O-CA 3.12Å; I160-T163 WeakPolarHBondContact O-CB 3.45Å; I160-T163 PolarHBondContact O-N 3.3Å; D161-T163 VanDerWaalsContact C-N 3.26Å; D161-T163 PolarHBondContact O-N 3.44Å; T163-C167 WeakPolarHBondContact O-CB 3.27Å; T163-C167 PolarHBondContact O-N 3.22Å; T163-I196 HydrophobicContact CG2-CB 4.31Å; T163-I196 HydrophobicContact CG2-CG2 4.03Å
164	V	98.8	Very high	96.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.4	-35.4	178.1	-65.5	0	0	0	0	111.7	I160 C167 A168 L180 V210 C212 F230	I160-V164 HydrophobicContact CG2-CG2 4.42Å; I160-V164 WeakPolarHBondContact O-CG2 3.06Å; I160-V164 PolarHBondContact O-N 3.26Å; V164-C167 WeakPolarHBondContact O-CB 3.36Å; V164-C167 PolarHBondContact O-N 2.91Å; V164-A168 PolarHBondContact O-N 2.99Å; V164-L180 HydrophobicContact CG2-CD1 4.38Å; V164-V210 HydrophobicContact CB-CB 4.15Å; V164-V210 HydrophobicContact CB-CG1 3.71Å; V164-V210 HydrophobicContact CG1-CB 4.46Å; V164-V210 HydrophobicContact CG1-CG1 3.74Å; V164-C212 HydrophobicContact CG1-CB 3.9Å; V164-F230 HydrophobicContact CB-CE2 4.02Å; V164-F230 HydrophobicContact CG2-CE2 3.6Å; V164-F230 HydrophobicContact CG2-CZ 3.86Å
165	G	98.2	Very high	96.3	Very high	13 Å²	13	22.5 Å²	22.5	13%	0.134	14%	0.144	C	C	.	.	H	α-helix	trans	-68.8	-39.9	175.3	0	0	0	0	0	113	D161 C167 A168 L169	D161-G165 WeakPolarHBondContact O-CA 3.48Å; D161-G165 PolarHBondContact O-N 2.89Å; G165-C167 VanDerWaalsContact C-N 3.32Å; G165-A168 PolarHBondContact O-N 2.9Å; G165-L169 VanDerWaalsContact O-CB 3.22Å; G165-L169 WeakPolarHBondContact O-CB 3.42Å; G165-L169 PolarHBondContact O-N 3.48Å
166	M	98.2	Very high	96.1	Very high	65 Å²	65	24.6 Å²	24.6	32%	0.32	16%	0.155	S	C	.	.	H	α-helix	trans	-65.6	-36.6	171.3	-167.2	62.6	65.4	0	0	111.4	L76 M125 M134 S162 L169 M170	L76-M166 HydrophobicContact CD1-CG 3.66Å; L76-M166 HydrophobicContact CD1-SD 4.27Å; M125-M166 HydrophobicContact SD-CB 4.02Å; M125-M166 HydrophobicContact SD-CG 4.11Å; M134-M166 HydrophobicContact CE-CB 3.95Å; M134-M166 HydrophobicContact CE-CG 3.58Å; M134-M166 HydrophobicContact SD-CG 4.48Å; S162-M166 VanDerWaalsContact O-CB 3.25Å; S162-M166 WeakPolarHBondContact O-CB 3.39Å; S162-M166 PolarHBondContact O-N 2.92Å; S162-M166 VanDerWaalsContact O-N 3.13Å; M166-L169 PolarHBondContact O-N 2.54Å; M166-L169 HydrophobicContact SD-CD2 4.27Å; M166-M170 HydrophobicContact CG-CG 4.46Å; M166-M170 WeakPolarHBondContact O-CB 3.22Å; M166-M170 VanDerWaalsContact O-CG 3.29Å; M166-M170 WeakPolarHBondContact O-CG 3.37Å; M166-M170 PolarHBondContact O-N 2.86Å
167	C	98.4	Very high	96	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-45.8	174.6	-164.7	0	0	0	0	112	K132 M134 T163 V164 G165 A171 V210	K132-C167 PolarHBondContact O-SG 3.34Å; M134-C167 HydrophobicContact CB-CB 3.74Å; M134-C167 HydrophobicContact CE-CB 4.42Å; T163-C167 WeakPolarHBondContact O-CB 3.27Å; T163-C167 PolarHBondContact O-N 3.22Å; V164-C167 WeakPolarHBondContact O-CB 3.36Å; V164-C167 PolarHBondContact O-N 2.91Å; G165-C167 VanDerWaalsContact C-N 3.32Å; C167-A171 PolarHBondContact O-N 2.9Å; C167-V210 HydrophobicContact CB-CG1 4.13Å
168	A	97.9	Very high	96	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-38.3	174.6	0	0	0	0	0	112.5	V164 G165 A171 G172 V175 F208 V210 F230	V164-A168 PolarHBondContact O-N 2.99Å; G165-A168 PolarHBondContact O-N 2.9Å; A168-A171 PolarHBondContact O-N 2.9Å; A168-G172 WeakPolarHBondContact O-CA 3.43Å; A168-G172 PolarHBondContact O-N 3.43Å; A168-V175 HydrophobicContact CB-CG2 3.98Å; A168-F208 HydrophobicContact CB-CB 4.22Å; A168-V210 HydrophobicContact CB-CG2 4.05Å; A168-F230 HydrophobicContact CB-CB 3.72Å; A168-F230 HydrophobicContact CB-CD1 4.23Å; A168-F230 HydrophobicContact CB-CD2 3.81Å; A168-F230 HydrophobicContact CB-CG 3.63Å
169	L	95.4	Very high	96	Very high	53 Å²	53	31.4 Å²	31.4	28%	0.277	20%	0.199	S	C	.	.	H	α-helix	trans	-65.7	-45.4	178.1	-176	155.8	0	0	0	111.7	F90 G165 M166 A171 G172 G173 V175	F90-L169 HydrophobicContact CZ-CD1 4.25Å; G165-L169 VanDerWaalsContact O-CB 3.22Å; G165-L169 WeakPolarHBondContact O-CB 3.42Å; G165-L169 PolarHBondContact O-N 3.48Å; M166-L169 PolarHBondContact O-N 2.54Å; M166-L169 HydrophobicContact SD-CD2 4.27Å; L169-A171 VanDerWaalsContact C-N 3.27Å; L169-A171 PolarHBondContact O-N 2.83Å; L169-G172 PolarHBondContact O-N 2.79Å; L169-G173 WeakPolarHBondContact CA-O 3.35Å; L169-G173 WeakPolarHBondContact O-CA 3.4Å; L169-G173 PolarHBondContact O-N 2.86Å; L169-V175 HydrophobicContact CB-CG2 4.23Å
170	M	95	Very high	96	Very high	77 Å²	77	33.9 Å²	33.9	38%	0.379	21%	0.212	S	C	.	.	H	α-helix	trans	-62.8	-33.5	178.1	-71.1	-62.9	-67.9	0	0	112.5	L76 Y127 M134 M166	L76-M170 HydrophobicContact CD1-CG 4.34Å; L76-M170 HydrophobicContact CD1-SD 4.45Å; L76-M170 HydrophobicContact CD2-CE 4.22Å; L76-M170 HydrophobicContact CD2-SD 4.42Å; Y127-M170 HydrophobicContact CD1-CB 4.15Å; Y127-M170 HydrophobicContact CD1-CE 3.61Å; Y127-M170 HydrophobicContact CD1-CG 4.29Å; Y127-M170 HydrophobicContact CD2-CB 4.25Å; Y127-M170 HydrophobicContact CD2-CG 4.42Å; Y127-M170 HydrophobicContact CE1-CB 3.72Å; Y127-M170 HydrophobicContact CE1-CE 3.94Å; Y127-M170 HydrophobicContact CE1-CG 4.37Å; Y127-M170 HydrophobicContact CE2-CB 3.84Å; Y127-M170 HydrophobicContact CE2-CG 4.5Å; Y127-M170 HydrophobicContact CG-CB 4.38Å; Y127-M170 HydrophobicContact CG-CE 4.29Å; Y127-M170 HydrophobicContact CG-CG 4.31Å; M134-M170 HydrophobicContact CE-CG 3.92Å; M166-M170 HydrophobicContact CG-CG 4.46Å; M166-M170 WeakPolarHBondContact O-CB 3.22Å; M166-M170 VanDerWaalsContact O-CG 3.29Å; M166-M170 WeakPolarHBondContact O-CG 3.37Å; M166-M170 PolarHBondContact O-N 2.86Å
171	A	93.6	Very high	96	Very high	35 Å²	35	37.9 Å²	37.9	29%	0.289	23%	0.234	S	C	.	.	H	α-helix	trans	-86	-25.2	176.8	0	0	0	0	0	114.5	K132 C167 A168 L169 L200 F208	K132-A171 HydrophobicContact CD-CB 4.44Å; C167-A171 PolarHBondContact O-N 2.9Å; A168-A171 PolarHBondContact O-N 2.9Å; L169-A171 VanDerWaalsContact C-N 3.27Å; L169-A171 PolarHBondContact O-N 2.83Å; A171-L200 HydrophobicContact CB-CD2 3.63Å; A171-F208 HydrophobicContact CB-CE1 4.39Å
172	G	87.5	Confident	96	Very high	5 Å²	5	36.7 Å²	36.7	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-119.3	-19.5	-166.5	0	0	0	0	0	116.3	A168 L169 F208 K232	A168-G172 WeakPolarHBondContact O-CA 3.43Å; A168-G172 PolarHBondContact O-N 3.43Å; L169-G172 PolarHBondContact O-N 2.79Å; G172-F208 VanDerWaalsContact CA-CE1 3.43Å; G172-F208 VanDerWaalsContact CA-CZ 3.49Å; G172-K232 VanDerWaalsContact O-CD 3.29Å; G172-K232 WeakPolarHBondContact O-CD 3.5Å; G172-K232 WeakPolarHBondContact O-CE 3.46Å; G172-K232 PolarHBondContact O-NZ 3.04Å
173	G	89.4	Confident	96	Very high	36 Å²	36	39.1 Å²	39.1	37%	0.371	24%	0.238	S	C	.	.	S	Bend	trans	80.2	-148.4	-163.1	0	0	0	0	0	111.6	L169 V175	L169-G173 WeakPolarHBondContact CA-O 3.35Å; L169-G173 WeakPolarHBondContact O-CA 3.4Å; L169-G173 PolarHBondContact O-N 2.86Å; G173-V175 PolarHBondContact O-N 3.47Å; G173-V175 VanDerWaalsContact O-N 3.12Å
174	V	88.8	Confident	96	Very high	30 Å²	30	44.5 Å²	44.5	18%	0.182	26%	0.259	C	S	.	.	S	Bend	trans	-64.9	114.9	-176	-171.8	0	0	0	0	111.6	F90 L94 L233	F90-V174 HydrophobicContact CD1-CG1 4.29Å; F90-V174 HydrophobicContact CD2-CG1 4.32Å; F90-V174 HydrophobicContact CD2-CG2 4.06Å; F90-V174 HydrophobicContact CE1-CG1 3.97Å; F90-V174 HydrophobicContact CE2-CB 4.42Å; F90-V174 HydrophobicContact CE2-CG1 4.02Å; F90-V174 HydrophobicContact CE2-CG2 3.74Å; F90-V174 HydrophobicContact CG-CG1 4.46Å; F90-V174 HydrophobicContact CZ-CG1 3.83Å; F90-V174 HydrophobicContact CZ-CG2 4.31Å; L94-V174 HydrophobicContact CD1-CG1 4.34Å; V174-L233 HydrophobicContact CG1-CD1 3.71Å; V174-L233 HydrophobicContact CG1-CG 4.12Å; V174-L233 PolarHBondContact O-N 3.3Å
175	V	91.5	Very high	96	Very high	14 Å²	14	49.1 Å²	49.1	9%	0.085	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	160.1	178.3	-63.3	0	0	0	0	110.9	A168 L169 G173 F208 F230 I231 K232	A168-V175 HydrophobicContact CB-CG2 3.98Å; L169-V175 HydrophobicContact CB-CG2 4.23Å; G173-V175 PolarHBondContact O-N 3.47Å; G173-V175 VanDerWaalsContact O-N 3.12Å; V175-F208 HydrophobicContact CG1-CD2 4.41Å; V175-F230 HydrophobicContact CB-CB 4.13Å; V175-F230 HydrophobicContact CB-CD1 4.36Å; V175-F230 HydrophobicContact CG2-CB 4.25Å; V175-F230 HydrophobicContact CG2-CD1 3.86Å; V175-F230 HydrophobicContact CG2-CG 4.36Å; V175-I231 VanDerWaalsContact CA-O 3.29Å; V175-I231 WeakPolarHBondContact CA-O 3.43Å; V175-K232 HydrophobicContact CG1-CB 4.15Å
176	V	94.1	Very high	96	Very high	51 Å²	51	54.6 Å²	54.6	31%	0.309	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.9	170	-62.9	0	0	0	0	111.2	L94 A178 F230 I231 L233	L94-V176 HydrophobicContact CD2-CG1 4.08Å; V176-A178 PolarHBondContact O-N 2.82Å; V176-F230 CarbonylContact O-C 3.46Å; V176-F230 WeakPolarHBondContact O-CA 3.44Å; V176-I231 HydrophobicContact CG2-CB 4.47Å; V176-I231 PolarHBondContact N-O 3.45Å; V176-I231 PolarHBondContact O-N 2.97Å; V176-L233 HydrophobicContact CG1-CD1 4.22Å; V176-L233 HydrophobicContact CG1-CD2 4.04Å; V176-L233 HydrophobicContact CG1-CG 4.38Å; V176-L233 HydrophobicContact CG2-CD2 3.8Å
177	T	97.6	Very high	96	Very high	57 Å²	57	55.2 Å²	55.2	35%	0.35	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	126.5	175.4	-39.1	0	0	0	0	110.1	D161 L180 F230	D161-T177 WeakPolarHBondContact OD1-CG2 3.33Å; D161-T177 PolarHBondContact OD1-OG1 2.82Å; T177-L180 HydrophobicContact CG2-CB 4.11Å; T177-F230 HydrophobicContact CG2-CE1 4.15Å; T177-F230 HydrophobicContact CG2-CZ 3.97Å; T177-F230 WeakPolarHBondContact OG1-CE1 3.5Å; T177-F230 WeakPolarHBondContact OG1-CZ 3.41Å
178	A	98.1	Very high	96	Very high	67 Å²	67	55.3 Å²	55.3	55%	0.554	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	-22.9	173.9	0	0	0	0	0	112.8	V176 I229 I231	V176-A178 PolarHBondContact O-N 2.82Å; A178-I229 PolarHBondContact N-O 2.94Å; A178-I231 HydrophobicContact CB-CD1 4.43Å; A178-I231 HydrophobicContact CB-CG1 3.53Å
179	N	98.8	Very high	96.1	Very high	75 Å²	75	57.7 Å²	57.7	40%	0.401	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	142.8	164.7	-179.2	-105.6	0	0	0	110	S228 I229	N179-S228 CarbonylContact O-C 3.55Å; N179-S228 VanDerWaalsContact O-CA 3.25Å; N179-S228 WeakPolarHBondContact O-CA 3.44Å; N179-S228 WeakPolarHBondContact O-CB 3.47Å; N179-I229 HydrophobicContact CB-CB 4.12Å; N179-I229 HydrophobicContact CB-CD1 4.32Å; N179-I229 HydrophobicContact CB-CG1 4.17Å; N179-I229 PolarHBondContact N-O 2.93Å; N179-I229 VanDerWaalsContact N-O 3.11Å; N179-I229 PolarHBondContact O-N 2.7Å
180	L	98.9	Very high	96.2	Very high	53 Å²	53	56.9 Å²	56.9	28%	0.277	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	123.1	169.6	176.9	60.8	0	0	0	107.3	I160 D161 V164 T177 I182	I160-L180 HydrophobicContact CG2-CD1 3.94Å; D161-L180 HydrophobicContact CB-CD2 3.79Å; V164-L180 HydrophobicContact CG2-CD1 4.38Å; T177-L180 HydrophobicContact CG2-CB 4.11Å; L180-I182 HydrophobicContact CD1-CD1 4.32Å; L180-I182 HydrophobicContact CD1-CG1 4.11Å; L180-I182 HydrophobicContact CD2-CD1 4.03Å; L180-I182 HydrophobicContact CG-CD1 3.98Å; L180-I182 HydrophobicContact CG-CG1 4.07Å
181	N	98.9	Very high	96.4	Very high	84 Å²	84	56.4 Å²	56.4	45%	0.449	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.8	-176.3	-174.8	6.5	0	0	0	108.7	A226 T227	N181-A226 CarbonylContact O-C 3.25Å; N181-A226 WeakPolarHBondContact O-CA 3.48Å; N181-A226 WeakPolarHBondContact O-CB 3.38Å; N181-T227 PolarHBondContact N-O 2.97Å; N181-T227 PolarHBondContact O-N 3.4Å
182	I	98.9	Very high	96.6	Very high	27 Å²	27	56.1 Å²	56.1	14%	0.138	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.5	-169	-56	164.9	0	0	0	109.6	A157 I160 L180 Y184 A226	A157-I182 HydrophobicContact CB-CD1 3.52Å; I160-I182 HydrophobicContact CD1-CD1 4.14Å; I160-I182 HydrophobicContact CD1-CG1 4.29Å; I160-I182 HydrophobicContact CD1-CG2 3.92Å; I160-I182 HydrophobicContact CG2-CD1 4.44Å; L180-I182 HydrophobicContact CD1-CD1 4.32Å; L180-I182 HydrophobicContact CD1-CG1 4.11Å; L180-I182 HydrophobicContact CD2-CD1 4.03Å; L180-I182 HydrophobicContact CG-CD1 3.98Å; L180-I182 HydrophobicContact CG-CG1 4.07Å; I182-Y184 HydrophobicContact CB-CE2 4.19Å; I182-Y184 HydrophobicContact CG2-CD1 4.12Å; I182-Y184 HydrophobicContact CG2-CD2 4.3Å; I182-Y184 HydrophobicContact CG2-CE1 3.73Å; I182-Y184 HydrophobicContact CG2-CE2 3.92Å; I182-Y184 HydrophobicContact CG2-CG 4.39Å; I182-A226 HydrophobicContact CB-CB 4.37Å; I182-A226 HydrophobicContact CG1-CB 3.84Å
183	N	98.9	Very high	97.1	Very high	79 Å²	79	56.2 Å²	56.2	42%	0.422	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	102.5	171.5	-67.3	-32.9	0	0	0	109.3	K185 S224 E225	N183-K185 PolarHBondContact O-N 2.91Å; N183-S224 WeakPolarHBondContact O-CA 3.48Å; N183-E225 HydrophobicContact CB-CG 3.71Å; N183-E225 PolarHBondContact N-O 3.48Å; N183-E225 PolarHBondContact ND2-OE1 2.84Å; N183-E225 PolarHBondContact O-N 3.18Å
184	Y	98.8	Very high	97.6	Very high	114 Å²	114	54.5 Å²	54.5	45%	0.447	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	112.1	172.5	-54.7	-83.3	0	0	0	109.9	G153 I156 I182 S224	G153-Y184 PolarHBondContact O-OH 2.87Å; I156-Y184 HydrophobicContact CB-CE1 4.09Å; I156-Y184 HydrophobicContact CD1-CD1 4.49Å; I156-Y184 HydrophobicContact CD1-CE1 4.49Å; I156-Y184 HydrophobicContact CG2-CD1 4.49Å; I156-Y184 HydrophobicContact CG2-CE1 4Å; I182-Y184 HydrophobicContact CB-CE2 4.19Å; I182-Y184 HydrophobicContact CG2-CD1 4.12Å; I182-Y184 HydrophobicContact CG2-CD2 4.3Å; I182-Y184 HydrophobicContact CG2-CE1 3.73Å; I182-Y184 HydrophobicContact CG2-CE2 3.92Å; I182-Y184 HydrophobicContact CG2-CG 4.39Å; Y184-S224 WeakPolarHBondContact CD1-OG 3.48Å
185	K	98.7	Very high	98.1	Very high	97 Å²	97	53.7 Å²	53.7	42%	0.422	29%	0.292	S	S	.	.			trans	-92.2	-40.2	-178	-55.3	-67.4	178.7	165.9	0	112.3	N183 L222 Y223 E225	N183-K185 PolarHBondContact O-N 2.91Å; K185-L222 HydrophobicContact CG-CD2 4.16Å; K185-L222 HydrophobicContact CG-CG 4.33Å; K185-Y223 WeakPolarHBondContact CA-O 3.34Å; K185-Y223 PolarHBondContact N-O 2.89Å; K185-E225 WeakPolarHBondContact CE-OE1 3.4Å; K185-E225 WeakPolarHBondContact CE-OE2 3.41Å; K185-E225 IonicContact NZ-OE1 2.72Å; K185-E225 PolarHBondContact NZ-OE1 3.45Å; K185-E225 IonicContact NZ-OE2 2.92Å; K185-E225 PolarHBondContact NZ-OE2 3.18Å
186	R	98.8	Very high	98.4	Very high	128 Å²	128	53 Å²	53	48%	0.483	29%	0.288	S	S	.	.	S	Bend	trans	-148.4	145.8	-177.9	-59.5	176.8	178.9	85.8	-3.6	109.3	L222 Y223	R186-L222 WeakPolarHBondContact CD-O 3.38Å; R186-L222 PolarHBondContact NH1-O 2.82Å; R186-Y223 HydrophobicContact CB-CD1 4.07Å; R186-Y223 PolarHBondContact N-O 3.06Å; R186-Y223 VanDerWaalsContact O-O 3.12Å
187	P	98.5	Very high	98.7	Very high	78 Å²	78	52.3 Å²	52.3	51%	0.506	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-72.3	144.8	177.9	32.9	-36.6	0	0	0	111	F150 Y223	F150-P187 HydrophobicContact CB-CB 4.33Å; F150-P187 HydrophobicContact CD1-CB 3.59Å; F150-P187 HydrophobicContact CD1-CG 3.93Å; F150-P187 HydrophobicContact CE1-CB 4.01Å; F150-P187 HydrophobicContact CE1-CG 3.79Å; F150-P187 HydrophobicContact CG-CB 3.96Å; F150-P187 HydrophobicContact CZ-CG 4.31Å; P187-Y223 WeakPolarHBondContact O-CD1 3.43Å; P187-Y223 WeakPolarHBondContact O-CE1 3.45Å
188	I	98.8	Very high	98.7	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-91.6	120.9	177.3	-59.1	177.9	0	0	0	108.5	F150 V151 I156 S192 V194 V214 Y223	F150-I188 CarbonylContact C-O 3.56Å; F150-I188 WeakPolarHBondContact CA-O 3.24Å; V151-I188 HydrophobicContact CB-CB 4.24Å; V151-I188 HydrophobicContact CB-CG2 4.5Å; V151-I188 HydrophobicContact CG2-CB 4.14Å; V151-I188 HydrophobicContact CG2-CG2 3.88Å; V151-I188 PolarHBondContact N-O 3.48Å; I156-I188 HydrophobicContact CD1-CB 4.3Å; I156-I188 HydrophobicContact CD1-CD1 3.72Å; I156-I188 HydrophobicContact CD1-CG1 3.97Å; I156-I188 HydrophobicContact CG1-CD1 3.97Å; I156-I188 HydrophobicContact CG2-CD1 4.17Å; I188-S192 WeakPolarHBondContact CG2-OG 3.4Å; I188-V194 HydrophobicContact CD1-CG1 4.22Å; I188-V194 HydrophobicContact CD1-CG2 4.35Å; I188-V194 HydrophobicContact CG1-CG1 4.45Å; I188-V194 HydrophobicContact CG2-CG1 3.86Å; I188-V214 HydrophobicContact CD1-CG1 3.86Å; I188-Y223 HydrophobicContact CB-CD1 4.41Å; I188-Y223 HydrophobicContact CD1-CG 4.32Å; I188-Y223 HydrophobicContact CG1-CD1 3.7Å; I188-Y223 HydrophobicContact CG1-CD2 4.24Å; I188-Y223 HydrophobicContact CG1-CE1 4.4Å; I188-Y223 HydrophobicContact CG1-CG 3.61Å
189	P	98.8	Very high	98.7	Very high	50 Å²	50	49.7 Å²	49.7	33%	0.325	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-63.4	145.1	175.6	-21.2	33.2	0	0	0	112.2	F150 S192	F150-P189 HydrophobicContact CE1-CG 4.36Å; P189-S192 WeakPolarHBondContact O-CB 3.31Å; P189-S192 PolarHBondContact O-N 2.66Å; P189-S192 PolarHBondContact O-OG 2.9Å
190	L	98.4	Very high	98.7	Very high	36 Å²	36	47.7 Å²	47.7	19%	0.188	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	148.9	171.8	-73.1	171.7	0	0	0	111.8	E145 G149 V151 S192	E145-L190 HydrophobicContact CB-CD1 3.82Å; E145-L190 HydrophobicContact CB-CD2 4.35Å; E145-L190 HydrophobicContact CG-CD1 3.89Å; E145-L190 WeakPolarHBondContact OE1-CD1 3.44Å; G149-L190 PolarHBondContact O-N 2.97Å; V151-L190 HydrophobicContact CG2-CD2 4.1Å; L190-S192 PolarHBondContact O-N 3.24Å
191	C	98.2	Very high	98.7	Very high	67 Å²	67	48.9 Å²	48.9	45%	0.453	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	4.6	-178.1	-57.5	0	0	0	0	115.9	N54 G140	N54-C191 PolarHBondContact ND2-O 3.46Å; G140-C191 WeakPolarHBondContact O-CA 3.38Å; G140-C191 PolarHBondContact O-N 3.2Å
192	S	98.4	Very high	98.7	Very high	28 Å²	28	49.8 Å²	49.8	20%	0.196	25%	0.25	C	S	.	.			trans	-76.4	163.4	169.4	73.2	0	0	0	0	111.7	Q139 I188 P189 L190	Q139-S192 WeakPolarHBondContact CA-O 3.28Å; I188-S192 WeakPolarHBondContact CG2-OG 3.4Å; P189-S192 WeakPolarHBondContact O-CB 3.31Å; P189-S192 PolarHBondContact O-N 2.66Å; P189-S192 PolarHBondContact O-OG 2.9Å; L190-S192 PolarHBondContact O-N 3.24Å
193	V	98.9	Very high	98.7	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.1	176.2	174.9	0	0	0	0	109.7	N54 D56 L57 L60 F138 Q139 V217	N54-V193 WeakPolarHBondContact ND2-CG2 3.35Å; N54-V193 VanDerWaalsContact OD1-CG2 3.31Å; N54-V193 WeakPolarHBondContact OD1-CG2 3.47Å; D56-V193 HydrophobicContact CB-CB 4.34Å; D56-V193 HydrophobicContact CB-CG2 4.3Å; L57-V193 HydrophobicContact CB-CG1 4.38Å; L57-V193 HydrophobicContact CB-CG2 3.77Å; L57-V193 HydrophobicContact CD1-CG1 4.46Å; L60-V193 HydrophobicContact CD1-CG1 4.07Å; F138-V193 WeakPolarHBondContact O-CA 3.45Å; Q139-V193 HydrophobicContact CB-CG2 4.03Å; Q139-V193 HydrophobicContact CG-CG2 4.22Å; V193-V217 HydrophobicContact CB-CG2 3.91Å; V193-V217 HydrophobicContact CG1-CG2 3.88Å
194	V	98.9	Very high	98.6	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.6	173.5	-61.8	0	0	0	0	110.9	F138 I188 V214 Q215 Y223	F138-V194 HydrophobicContact CB-CG2 4.22Å; F138-V194 HydrophobicContact CD1-CG2 3.59Å; F138-V194 HydrophobicContact CE1-CG2 4.46Å; F138-V194 HydrophobicContact CG-CG2 4.36Å; F138-V194 PolarHBondContact N-O 3.27Å; F138-V194 PolarHBondContact O-N 3.22Å; I188-V194 HydrophobicContact CD1-CG1 4.22Å; I188-V194 HydrophobicContact CD1-CG2 4.35Å; I188-V194 HydrophobicContact CG1-CG1 4.45Å; I188-V194 HydrophobicContact CG2-CG1 3.86Å; V194-V214 HydrophobicContact CB-CG1 3.89Å; V194-V214 HydrophobicContact CG1-CG1 4.4Å; V194-V214 HydrophobicContact CG2-CG1 3.77Å; V194-Q215 CarbonylContact C-O 3.58Å; V194-Q215 VanDerWaalsContact CA-O 3.24Å; V194-Q215 WeakPolarHBondContact CA-O 3.29Å; V194-Q215 WeakPolarHBondContact CB-O 2.93Å; V194-Y223 HydrophobicContact CG1-CD2 3.7Å; V194-Y223 HydrophobicContact CG1-CE2 3.57Å
195	M	98.9	Very high	98.5	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.059	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.3	170.7	-178.1	169.7	57.5	0	0	109	F64 V135 L137 V214 Q215 E219	F64-M195 HydrophobicContact CE2-SD 4.23Å; F64-M195 HydrophobicContact CZ-SD 4.25Å; V135-M195 HydrophobicContact CG1-CG 3.53Å; V135-M195 HydrophobicContact CG1-SD 3.75Å; L137-M195 HydrophobicContact CD2-CG 4.32Å; M195-V214 WeakPolarHBondContact O-CA 3.46Å; M195-Q215 PolarHBondContact N-O 3.39Å; M195-Q215 PolarHBondContact O-N 3.28Å; M195-E219 HydrophobicContact CE-CG 3.81Å; M195-E219 WeakPolarHBondContact CE-OE1 3.5Å
196	I	98.9	Very high	98.3	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	102.3	171.3	-44.6	172	0	0	0	107.6	V135 C136 F138 I159 T163 C212 N213 V214	V135-I196 WeakPolarHBondContact CA-O 3.5Å; C136-I196 HydrophobicContact CB-CB 4.15Å; C136-I196 HydrophobicContact CB-CD1 4.37Å; C136-I196 PolarHBondContact N-O 3.09Å; C136-I196 PolarHBondContact O-N 3.41Å; F138-I196 HydrophobicContact CB-CD1 4.43Å; I159-I196 HydrophobicContact CB-CD1 4.15Å; I159-I196 HydrophobicContact CG1-CD1 3.67Å; I159-I196 HydrophobicContact CG2-CD1 3.67Å; T163-I196 HydrophobicContact CG2-CB 4.31Å; T163-I196 HydrophobicContact CG2-CG2 4.03Å; I196-C212 HydrophobicContact CG2-CB 4.18Å; I196-N213 CarbonylContact C-O 3.54Å; I196-N213 WeakPolarHBondContact CA-O 3.39Å; I196-V214 HydrophobicContact CG1-CG1 4.23Å; I196-V214 HydrophobicContact CG1-CG2 4.11Å; I196-V214 HydrophobicContact CG2-CG2 4.06Å
197	N	98.8	Very high	98.3	Very high	36 Å²	36	50.2 Å²	50.2	19%	0.193	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.1	-179.4	-176.2	-8.6	0	0	0	108.6	R133 V135 C212 N213	R133-N197 WeakPolarHBondContact CD-OD1 3.29Å; R133-N197 PolarHBondContact NH1-OD1 2.86Å; V135-N197 HydrophobicContact CG2-CB 4.4Å; N197-C212 CarbonylContact O-C 3.54Å; N197-C212 WeakPolarHBondContact O-CA 3.38Å; N197-C212 WeakPolarHBondContact O-CB 3.46Å; N197-N213 PolarHBondContact N-O 3.39Å; N197-N213 PolarHBondContact O-N 3.44Å
198	S	98.8	Very high	98.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	152.7	-177.9	80	0	0	0	0	113.1	R133 M134 S211	R133-S198 CarbonylContact C-O 3.57Å; R133-S198 WeakPolarHBondContact CA-O 3.31Å; R133-S198 VanDerWaalsContact CG-O 3.29Å; R133-S198 WeakPolarHBondContact CG-O 3.27Å; M134-S198 WeakPolarHBondContact CB-OG 3.19Å; M134-S198 PolarHBondContact N-O 2.97Å; M134-S198 PolarHBondContact O-N 3.42Å; S198-S211 CarbonylContact C-O 3.55Å; S198-S211 WeakPolarHBondContact CA-O 3.36Å; S198-S211 VanDerWaalsContact CB-O 3.24Å; S198-S211 WeakPolarHBondContact CB-O 3.16Å
199	Q	98.7	Very high	98.3	Very high	69 Å²	69	48.7 Å²	48.7	32%	0.322	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.6	-175.7	55.5	176.3	52.4	0	0	111.6	D201 V210 S211	Q199-D201 PolarHBondContact NE2-OD1 2.76Å; Q199-D201 PolarHBondContact O-N 3.2Å; Q199-V210 WeakPolarHBondContact O-CA 3.33Å; Q199-V210 VanDerWaalsContact O-CG1 3.3Å; Q199-V210 WeakPolarHBondContact O-CG1 3.06Å; Q199-S211 PolarHBondContact N-O 2.81Å; Q199-S211 PolarHBondContact O-N 2.99Å
200	L	98.7	Very high	98.3	Very high	32 Å²	32	46.3 Å²	46.3	17%	0.168	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	103.4	171.4	-179.9	73	0	0	0	109.9	K132 A171 V203 F208 V210	K132-L200 HydrophobicContact CB-CB 3.94Å; K132-L200 HydrophobicContact CB-CD2 4.31Å; K132-L200 HydrophobicContact CG-CD2 4.44Å; K132-L200 PolarHBondContact O-N 3.16Å; K132-L200 VanDerWaalsContact O-N 3.08Å; A171-L200 HydrophobicContact CB-CD2 3.63Å; L200-V203 HydrophobicContact CD1-CG2 4.08Å; L200-V203 HydrophobicContact CD2-CG2 3.86Å; L200-V203 HydrophobicContact CG-CG2 4.27Å; L200-F208 HydrophobicContact CD1-CB 4.06Å; L200-F208 HydrophobicContact CD1-CD1 3.85Å; L200-F208 HydrophobicContact CD1-CG 4.44Å; L200-V210 HydrophobicContact CD1-CG2 3.89Å
201	D	98.6	Very high	98.3	Very high	78 Å²	78	45.9 Å²	45.9	42%	0.417	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-37.7	-176.4	-57.7	-61.6	0	0	0	112.6	Q199 F209 S211	Q199-D201 PolarHBondContact NE2-OD1 2.76Å; Q199-D201 PolarHBondContact O-N 3.2Å; D201-F209 PolarHBondContact N-O 2.81Å; D201-S211 VanDerWaalsContact CG-OG 3.26Å; D201-S211 PolarHBondContact OD1-OG 3.27Å; D201-S211 VanDerWaalsContact OD1-OG 3.07Å; D201-S211 WeakPolarHBondContact OD2-CB 3.32Å; D201-S211 PolarHBondContact OD2-N 2.91Å; D201-S211 PolarHBondContact OD2-OG 3.27Å
202	K	98.1	Very high	98.4	Very high	103 Å²	103	42.9 Å²	42.9	45%	0.448	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	165	175.7	58.8	173.4	179.2	171.6	0	113.5	E204 F209	K202-E204 HydrophobicContact CD-CG 4.43Å; K202-E204 WeakPolarHBondContact CE-OE1 3.41Å; K202-E204 IonicContact NZ-OE1 2.77Å; K202-E204 PolarHBondContact NZ-OE1 3.45Å; K202-F209 HydrophobicContact CD-CD2 4.17Å; K202-F209 HydrophobicContact CD-CE2 4.45Å; K202-F209 HydrophobicContact CD-CG 4.45Å; K202-F209 HydrophobicContact CG-CB 3.83Å; K202-F209 HydrophobicContact CG-CD2 3.65Å; K202-F209 HydrophobicContact CG-CE2 4.38Å; K202-F209 HydrophobicContact CG-CG 3.88Å; K202-F209 PolarHBondContact O-N 3.16Å
203	V	98.4	Very high	98.4	Very high	68 Å²	68	44.8 Å²	44.8	41%	0.412	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.1	171.4	-175.8	0	0	0	0	110.1	L200 K207 F208	L200-V203 HydrophobicContact CD1-CG2 4.08Å; L200-V203 HydrophobicContact CD2-CG2 3.86Å; L200-V203 HydrophobicContact CG-CG2 4.27Å; V203-K207 CarbonylContact C-O 3.6Å; V203-K207 VanDerWaalsContact CA-O 3.31Å; V203-K207 WeakPolarHBondContact CA-O 3.45Å; V203-F208 HydrophobicContact CG1-CD1 4.32Å; V203-F208 HydrophobicContact CG1-CD2 4.26Å; V203-F208 HydrophobicContact CG1-CE1 4.01Å; V203-F208 HydrophobicContact CG1-CE2 3.92Å; V203-F208 HydrophobicContact CG1-CG 4.41Å; V203-F208 HydrophobicContact CG1-CZ 3.79Å; V203-F208 HydrophobicContact CG2-CD1 3.63Å; V203-F208 HydrophobicContact CG2-CE1 3.67Å; V203-F208 HydrophobicContact CG2-CG 4.25Å; V203-F208 HydrophobicContact CG2-CZ 4.31Å
204	E	98.1	Very high	98.4	Very high	87 Å²	87	44.5 Å²	44.5	41%	0.407	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	89.7	175.8	-63.3	175.3	178.2	0	0	109.8	K202 R206 K207 F209	K202-E204 HydrophobicContact CD-CG 4.43Å; K202-E204 WeakPolarHBondContact CE-OE1 3.41Å; K202-E204 IonicContact NZ-OE1 2.77Å; K202-E204 PolarHBondContact NZ-OE1 3.45Å; E204-R206 PolarHBondContact O-N 3.37Å; E204-K207 HydrophobicContact CB-CB 4.3Å; E204-K207 PolarHBondContact N-O 3.31Å; E204-K207 PolarHBondContact O-N 3.18Å; E204-F209 HydrophobicContact CB-CE2 4.02Å; E204-F209 HydrophobicContact CG-CE2 3.77Å; E204-F209 WeakPolarHBondContact OE2-CE2 3.33Å; E204-F209 WeakPolarHBondContact OE2-CZ 3.48Å
205	G	95.9	Very high	98.4	Very high	74 Å²	74	45.7 Å²	45.7	76%	0.763	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	-90.3	-179.6	0	0	0	0	0	112.9
206	R	95.5	Very high	98.4	Very high	130 Å²	130	45.5 Å²	45.5	49%	0.491	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-5.4	173.6	-61.3	-162.2	-59.1	131.6	-5.2	114.1	E204 I231 K232	E204-R206 PolarHBondContact O-N 3.37Å; R206-I231 WeakPolarHBondContact O-CA 3.48Å; R206-K232 HydrophobicContact CB-CB 4.35Å; R206-K232 WeakPolarHBondContact CD-O 3.28Å; R206-K232 PolarHBondContact NH1-O 3.21Å; R206-K232 PolarHBondContact O-N 3.34Å
207	K	98.1	Very high	98.3	Very high	95 Å²	95	48.1 Å²	48.1	41%	0.413	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.7	177.8	-57.7	177.6	-175.9	173.8	0	110.1	V203 E204 F209 I229 F230 I231	V203-K207 CarbonylContact C-O 3.6Å; V203-K207 VanDerWaalsContact CA-O 3.31Å; V203-K207 WeakPolarHBondContact CA-O 3.45Å; E204-K207 HydrophobicContact CB-CB 4.3Å; E204-K207 PolarHBondContact N-O 3.31Å; E204-K207 PolarHBondContact O-N 3.18Å; K207-F209 HydrophobicContact CB-CD2 4.23Å; K207-F209 HydrophobicContact CB-CE2 3.58Å; K207-F209 HydrophobicContact CB-CZ 4.15Å; K207-F209 HydrophobicContact CD-CE2 4.04Å; K207-F209 HydrophobicContact CD-CZ 3.85Å; K207-I229 HydrophobicContact CB-CG2 4.26Å; K207-I229 HydrophobicContact CG-CG2 4.48Å; K207-F230 CarbonylContact C-O 3.56Å; K207-F230 WeakPolarHBondContact CA-O 3.37Å; K207-I231 HydrophobicContact CB-CD1 4.44Å; K207-I231 HydrophobicContact CG-CD1 3.82Å
208	F	98.6	Very high	98.2	Very high	13 Å²	13	50.6 Å²	50.6	6%	0.057	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119	173.2	-72.3	-109.3	0	0	0	107.1	A168 A171 G172 V175 L200 V203 I229 F230 K232	A168-F208 HydrophobicContact CB-CB 4.22Å; A171-F208 HydrophobicContact CB-CE1 4.39Å; G172-F208 VanDerWaalsContact CA-CE1 3.43Å; G172-F208 VanDerWaalsContact CA-CZ 3.49Å; V175-F208 HydrophobicContact CG1-CD2 4.41Å; L200-F208 HydrophobicContact CD1-CB 4.06Å; L200-F208 HydrophobicContact CD1-CD1 3.85Å; L200-F208 HydrophobicContact CD1-CG 4.44Å; V203-F208 HydrophobicContact CG1-CD1 4.32Å; V203-F208 HydrophobicContact CG1-CD2 4.26Å; V203-F208 HydrophobicContact CG1-CE1 4.01Å; V203-F208 HydrophobicContact CG1-CE2 3.92Å; V203-F208 HydrophobicContact CG1-CG 4.41Å; V203-F208 HydrophobicContact CG1-CZ 3.79Å; V203-F208 HydrophobicContact CG2-CD1 3.63Å; V203-F208 HydrophobicContact CG2-CE1 3.67Å; V203-F208 HydrophobicContact CG2-CG 4.25Å; V203-F208 HydrophobicContact CG2-CZ 4.31Å; F208-I229 WeakPolarHBondContact O-CA 3.45Å; F208-F230 HydrophobicContact CB-CB 4.12Å; F208-F230 PolarHBondContact N-O 2.86Å; F208-F230 PolarHBondContact O-N 3.11Å; F208-K232 HydrophobicContact CD2-CB 4.3Å; F208-K232 HydrophobicContact CE2-CB 3.77Å; F208-K232 HydrophobicContact CE2-CD 4.22Å; F208-K232 HydrophobicContact CZ-CD 4.44Å
209	F	98.8	Very high	98.1	Very high	35 Å²	35	55.9 Å²	55.9	15%	0.154	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.4	-178.3	-64	-103	0	0	0	108.6	D201 K202 E204 K207 S228 I229	D201-F209 PolarHBondContact N-O 2.81Å; K202-F209 HydrophobicContact CD-CD2 4.17Å; K202-F209 HydrophobicContact CD-CE2 4.45Å; K202-F209 HydrophobicContact CD-CG 4.45Å; K202-F209 HydrophobicContact CG-CB 3.83Å; K202-F209 HydrophobicContact CG-CD2 3.65Å; K202-F209 HydrophobicContact CG-CE2 4.38Å; K202-F209 HydrophobicContact CG-CG 3.88Å; K202-F209 PolarHBondContact O-N 3.16Å; E204-F209 HydrophobicContact CB-CE2 4.02Å; E204-F209 HydrophobicContact CG-CE2 3.77Å; E204-F209 WeakPolarHBondContact OE2-CE2 3.33Å; E204-F209 WeakPolarHBondContact OE2-CZ 3.48Å; K207-F209 HydrophobicContact CB-CD2 4.23Å; K207-F209 HydrophobicContact CB-CE2 3.58Å; K207-F209 HydrophobicContact CB-CZ 4.15Å; K207-F209 HydrophobicContact CD-CE2 4.04Å; K207-F209 HydrophobicContact CD-CZ 3.85Å; F209-S228 WeakPolarHBondContact CA-O 3.4Å; F209-I229 HydrophobicContact CD1-CD1 4.24Å; F209-I229 HydrophobicContact CD1-CG1 3.92Å; F209-I229 HydrophobicContact CE1-CD1 3.79Å; F209-I229 HydrophobicContact CE1-CG1 3.97Å
210	V	98.9	Very high	98.1	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.9	-176.5	-175.5	0	0	0	0	109.4	V164 C167 A168 Q199 L200 S228	V164-V210 HydrophobicContact CB-CB 4.15Å; V164-V210 HydrophobicContact CB-CG1 3.71Å; V164-V210 HydrophobicContact CG1-CB 4.46Å; V164-V210 HydrophobicContact CG1-CG1 3.74Å; C167-V210 HydrophobicContact CB-CG1 4.13Å; A168-V210 HydrophobicContact CB-CG2 4.05Å; Q199-V210 WeakPolarHBondContact O-CA 3.33Å; Q199-V210 VanDerWaalsContact O-CG1 3.3Å; Q199-V210 WeakPolarHBondContact O-CG1 3.06Å; L200-V210 HydrophobicContact CD1-CG2 3.89Å; V210-S228 PolarHBondContact N-O 2.86Å; V210-S228 VanDerWaalsContact N-O 3.13Å; V210-S228 PolarHBondContact O-N 3.23Å; V210-S228 PolarHBondContact O-OG 3.48Å
211	S	98.9	Very high	98.1	Very high	26 Å²	26	60.8 Å²	60.8	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	158.1	172	59.4	0	0	0	0	111.3	S198 Q199 D201 A226	S198-S211 CarbonylContact C-O 3.55Å; S198-S211 WeakPolarHBondContact CA-O 3.36Å; S198-S211 VanDerWaalsContact CB-O 3.24Å; S198-S211 WeakPolarHBondContact CB-O 3.16Å; Q199-S211 PolarHBondContact N-O 2.81Å; Q199-S211 PolarHBondContact O-N 2.99Å; D201-S211 VanDerWaalsContact CG-OG 3.26Å; D201-S211 PolarHBondContact OD1-OG 3.27Å; D201-S211 VanDerWaalsContact OD1-OG 3.07Å; D201-S211 WeakPolarHBondContact OD2-CB 3.32Å; D201-S211 PolarHBondContact OD2-N 2.91Å; D201-S211 PolarHBondContact OD2-OG 3.27Å; S211-A226 CarbonylContact C-O 3.54Å; S211-A226 VanDerWaalsContact CA-O 3.28Å; S211-A226 WeakPolarHBondContact CA-O 3.47Å
212	C	98.9	Very high	98.1	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.027	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.6	170.7	76.7	0	0	0	0	114.2	V164 I196 N197 E225 A226	V164-C212 HydrophobicContact CG1-CB 3.9Å; I196-C212 HydrophobicContact CG2-CB 4.18Å; N197-C212 CarbonylContact O-C 3.54Å; N197-C212 WeakPolarHBondContact O-CA 3.38Å; N197-C212 WeakPolarHBondContact O-CB 3.46Å; C212-E225 CarbonylContact O-C 3.57Å; C212-E225 WeakPolarHBondContact O-CA 3.43Å; C212-A226 PolarHBondContact N-O 2.66Å; C212-A226 PolarHBondContact O-N 3.33Å
213	N	98.9	Very high	98.1	Very high	69 Å²	69	55.6 Å²	55.6	37%	0.369	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145	165.3	-69.6	-23	0	0	0	110.3	I196 N197 Q215 L222	I196-N213 CarbonylContact C-O 3.54Å; I196-N213 WeakPolarHBondContact CA-O 3.39Å; N197-N213 PolarHBondContact N-O 3.39Å; N197-N213 PolarHBondContact O-N 3.44Å; N213-Q215 HydrophobicContact CB-CG 4.34Å; N213-L222 HydrophobicContact CB-CD1 3.85Å
214	V	98.9	Very high	98.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	110.3	170.3	-173.6	0	0	0	0	108	I160 I188 V194 M195 I196 Y223 S224	I160-V214 HydrophobicContact CD1-CG2 3.86Å; I160-V214 HydrophobicContact CG1-CG2 3.87Å; I188-V214 HydrophobicContact CD1-CG1 3.86Å; V194-V214 HydrophobicContact CB-CG1 3.89Å; V194-V214 HydrophobicContact CG1-CG1 4.4Å; V194-V214 HydrophobicContact CG2-CG1 3.77Å; M195-V214 WeakPolarHBondContact O-CA 3.46Å; I196-V214 HydrophobicContact CG1-CG1 4.23Å; I196-V214 HydrophobicContact CG1-CG2 4.11Å; I196-V214 HydrophobicContact CG2-CG2 4.06Å; V214-Y223 PolarHBondContact O-N 3.25Å; V214-S224 PolarHBondContact N-O 3.3Å; V214-S224 PolarHBondContact O-N 3.08Å
215	Q	98.8	Very high	98.2	Very high	25 Å²	25	50.9 Å²	50.9	12%	0.117	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	159.7	-172.1	-73.8	166.9	-103.9	0	0	112.2	V194 M195 N213 E219 T221 L222	V194-Q215 CarbonylContact C-O 3.58Å; V194-Q215 VanDerWaalsContact CA-O 3.24Å; V194-Q215 WeakPolarHBondContact CA-O 3.29Å; V194-Q215 WeakPolarHBondContact CB-O 2.93Å; M195-Q215 PolarHBondContact N-O 3.39Å; M195-Q215 PolarHBondContact O-N 3.28Å; N213-Q215 HydrophobicContact CB-CG 4.34Å; Q215-E219 PolarHBondContact NE2-O 2.65Å; Q215-E219 PolarHBondContact NE2-OE2 3.03Å; Q215-T221 CarbonylContact C-O 3.58Å; Q215-T221 VanDerWaalsContact CA-O 3.29Å; Q215-T221 WeakPolarHBondContact CA-O 3.47Å; Q215-L222 HydrophobicContact CG-CD1 3.94Å
216	S	98.7	Very high	98.3	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.063	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	164.7	166.9	51.3	0	0	0	0	112.3	D218 E219 Q220 T221	S216-D218 WeakPolarHBondContact CB-OD1 3.39Å; S216-D218 PolarHBondContact O-N 2.92Å; S216-D218 PolarHBondContact OG-OD1 2.72Å; S216-E219 WeakPolarHBondContact O-CA 3.38Å; S216-E219 PolarHBondContact O-N 2.81Å; S216-Q220 PolarHBondContact OG-N 2.8Å; S216-T221 PolarHBondContact N-O 2.79Å; S216-T221 WeakPolarHBondContact OG-CB 3.19Å; S216-T221 PolarHBondContact OG-N 3.48Å
217	V	97.6	Very high	98.5	Very high	55 Å²	55	45.1 Å²	45.1	33%	0.333	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-31.3	179.5	177	0	0	0	0	113.1	D56 L60 V193	D56-V217 HydrophobicContact CB-CG1 4.49Å; D56-V217 HydrophobicContact CB-CG2 4.05Å; L60-V217 HydrophobicContact CD1-CB 4.34Å; L60-V217 HydrophobicContact CD1-CG1 3.98Å; L60-V217 HydrophobicContact CD1-CG2 3.99Å; L60-V217 HydrophobicContact CD2-CG1 4.24Å; L60-V217 HydrophobicContact CG-CG1 4.12Å; V193-V217 HydrophobicContact CB-CG2 3.91Å; V193-V217 HydrophobicContact CG1-CG2 3.88Å
218	D	96.7	Very high	98.5	Very high	89 Å²	89	40.8 Å²	40.8	48%	0.476	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	7.3	177.4	67.2	-14.1	0	0	0	113.5	S216 Q220	S216-D218 WeakPolarHBondContact CB-OD1 3.39Å; S216-D218 PolarHBondContact O-N 2.92Å; S216-D218 PolarHBondContact OG-OD1 2.72Å; D218-Q220 HydrophobicContact CB-CG 4.35Å; D218-Q220 PolarHBondContact O-N 2.88Å; D218-Q220 PolarHBondContact OD1-N 3.28Å; D218-Q220 WeakPolarHBondContact OD2-CG 3.35Å; D218-Q220 PolarHBondContact OD2-NE2 2.96Å
219	E	96.7	Very high	98.5	Very high	110 Å²	110	42.4 Å²	42.4	51%	0.514	22%	0.222	S	C	.	.	S	Bend	trans	60.4	-6.7	-176.2	-65	-167.1	-141.3	0	0	117	M195 Q215 S216 T221	M195-E219 HydrophobicContact CE-CG 3.81Å; M195-E219 WeakPolarHBondContact CE-OE1 3.5Å; Q215-E219 PolarHBondContact NE2-O 2.65Å; Q215-E219 PolarHBondContact NE2-OE2 3.03Å; S216-E219 WeakPolarHBondContact O-CA 3.38Å; S216-E219 PolarHBondContact O-N 2.81Å; E219-T221 VanDerWaalsContact C-N 3.34Å; E219-T221 PolarHBondContact O-N 3.22Å
220	Q	97.9	Very high	98.5	Very high	161 Å²	161	41 Å²	41	75%	0.752	22%	0.216	S	C	*	.			trans	-66.8	-28.8	-174.7	-62.3	-171.8	63.9	0	0	114.1	S216 D218	S216-Q220 PolarHBondContact OG-N 2.8Å; D218-Q220 HydrophobicContact CB-CG 4.35Å; D218-Q220 PolarHBondContact O-N 2.88Å; D218-Q220 PolarHBondContact OD1-N 3.28Å; D218-Q220 WeakPolarHBondContact OD2-CG 3.35Å; D218-Q220 PolarHBondContact OD2-NE2 2.96Å
221	T	98.6	Very high	98.4	Very high	43 Å²	43	42.9 Å²	42.9	26%	0.264	23%	0.225	S	C	.	.			trans	-110.6	105.7	-175.9	-57.1	0	0	0	0	111.1	Q215 S216 E219 Y223	Q215-T221 CarbonylContact C-O 3.58Å; Q215-T221 VanDerWaalsContact CA-O 3.29Å; Q215-T221 WeakPolarHBondContact CA-O 3.47Å; S216-T221 PolarHBondContact N-O 2.79Å; S216-T221 WeakPolarHBondContact OG-CB 3.19Å; S216-T221 PolarHBondContact OG-N 3.48Å; E219-T221 VanDerWaalsContact C-N 3.34Å; E219-T221 PolarHBondContact O-N 3.22Å; T221-Y223 HydrophobicContact CG2-CD1 4.05Å; T221-Y223 HydrophobicContact CG2-CD2 4.42Å; T221-Y223 HydrophobicContact CG2-CE1 3.65Å; T221-Y223 HydrophobicContact CG2-CE2 4.06Å; T221-Y223 HydrophobicContact CG2-CG 4.41Å; T221-Y223 PolarHBondContact O-N 3.4Å
222	L	98.8	Very high	98.1	Very high	43 Å²	43	45.7 Å²	45.7	23%	0.225	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	116.4	165.8	-176.7	68.6	0	0	0	110	K185 R186 N213 Q215 S224	K185-L222 HydrophobicContact CG-CD2 4.16Å; K185-L222 HydrophobicContact CG-CG 4.33Å; R186-L222 WeakPolarHBondContact CD-O 3.38Å; R186-L222 PolarHBondContact NH1-O 2.82Å; N213-L222 HydrophobicContact CB-CD1 3.85Å; Q215-L222 HydrophobicContact CG-CD1 3.94Å; L222-S224 WeakPolarHBondContact CD1-O 3.49Å
223	Y	98.9	Very high	97.5	Very high	29 Å²	29	46.2 Å²	46.2	11%	0.114	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-41.6	177	-64.3	-77	0	0	0	112.6	K185 R186 P187 I188 V194 V214 T221	K185-Y223 WeakPolarHBondContact CA-O 3.34Å; K185-Y223 PolarHBondContact N-O 2.89Å; R186-Y223 HydrophobicContact CB-CD1 4.07Å; R186-Y223 PolarHBondContact N-O 3.06Å; R186-Y223 VanDerWaalsContact O-O 3.12Å; P187-Y223 WeakPolarHBondContact O-CD1 3.43Å; P187-Y223 WeakPolarHBondContact O-CE1 3.45Å; I188-Y223 HydrophobicContact CB-CD1 4.41Å; I188-Y223 HydrophobicContact CD1-CG 4.32Å; I188-Y223 HydrophobicContact CG1-CD1 3.7Å; I188-Y223 HydrophobicContact CG1-CD2 4.24Å; I188-Y223 HydrophobicContact CG1-CE1 4.4Å; I188-Y223 HydrophobicContact CG1-CG 3.61Å; V194-Y223 HydrophobicContact CG1-CD2 3.7Å; V194-Y223 HydrophobicContact CG1-CE2 3.57Å; V214-Y223 PolarHBondContact O-N 3.25Å; T221-Y223 HydrophobicContact CG2-CD1 4.05Å; T221-Y223 HydrophobicContact CG2-CD2 4.42Å; T221-Y223 HydrophobicContact CG2-CE1 3.65Å; T221-Y223 HydrophobicContact CG2-CE2 4.06Å; T221-Y223 HydrophobicContact CG2-CG 4.41Å; T221-Y223 PolarHBondContact O-N 3.4Å
224	S	98.9	Very high	96.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	151.1	179.2	-62.7	0	0	0	0	110.5	N183 Y184 V214 L222	N183-S224 WeakPolarHBondContact O-CA 3.48Å; Y184-S224 WeakPolarHBondContact CD1-OG 3.48Å; V214-S224 PolarHBondContact N-O 3.3Å; V214-S224 PolarHBondContact O-N 3.08Å; L222-S224 WeakPolarHBondContact CD1-O 3.49Å
225	E	98.8	Very high	94.8	Very high	57 Å²	57	50.2 Å²	50.2	27%	0.266	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.9	165.4	65.6	-169.6	-162.2	0	0	107.4	N183 K185 C212	N183-E225 HydrophobicContact CB-CG 3.71Å; N183-E225 PolarHBondContact N-O 3.48Å; N183-E225 PolarHBondContact ND2-OE1 2.84Å; N183-E225 PolarHBondContact O-N 3.18Å; K185-E225 WeakPolarHBondContact CE-OE1 3.4Å; K185-E225 WeakPolarHBondContact CE-OE2 3.41Å; K185-E225 IonicContact NZ-OE1 2.72Å; K185-E225 PolarHBondContact NZ-OE1 3.45Å; K185-E225 IonicContact NZ-OE2 2.92Å; K185-E225 PolarHBondContact NZ-OE2 3.18Å; C212-E225 CarbonylContact O-C 3.57Å; C212-E225 WeakPolarHBondContact O-CA 3.43Å
226	A	98.9	Very high	92.9	Very high	6 Å²	6	53.3 Å²	53.3	5%	0.05	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	154.7	177.5	0	0	0	0	0	112.7	I160 N181 I182 S211 C212	I160-A226 HydrophobicContact CD1-CB 4.48Å; I160-A226 HydrophobicContact CG2-CB 3.92Å; N181-A226 CarbonylContact O-C 3.25Å; N181-A226 WeakPolarHBondContact O-CA 3.48Å; N181-A226 WeakPolarHBondContact O-CB 3.38Å; I182-A226 HydrophobicContact CB-CB 4.37Å; I182-A226 HydrophobicContact CG1-CB 3.84Å; S211-A226 CarbonylContact C-O 3.54Å; S211-A226 VanDerWaalsContact CA-O 3.28Å; S211-A226 WeakPolarHBondContact CA-O 3.47Å; C212-A226 PolarHBondContact N-O 2.66Å; C212-A226 PolarHBondContact O-N 3.33Å
227	T	98.9	Very high	91.1	Very high	76 Å²	76	60.1 Å²	60.1	47%	0.466	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150	166.9	53.9	0	0	0	0	109.3	N181	N181-T227 PolarHBondContact N-O 2.97Å; N181-T227 PolarHBondContact O-N 3.4Å
228	S	98.9	Very high	89.1	Confident	5 Å²	5	61.4 Å²	61.4	4%	0.035	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.1	-174.7	64.5	0	0	0	0	112.2	N179 F209 V210 F230	N179-S228 CarbonylContact O-C 3.55Å; N179-S228 VanDerWaalsContact O-CA 3.25Å; N179-S228 WeakPolarHBondContact O-CA 3.44Å; N179-S228 WeakPolarHBondContact O-CB 3.47Å; F209-S228 WeakPolarHBondContact CA-O 3.4Å; V210-S228 PolarHBondContact N-O 2.86Å; V210-S228 VanDerWaalsContact N-O 3.13Å; V210-S228 PolarHBondContact O-N 3.23Å; V210-S228 PolarHBondContact O-OG 3.48Å; S228-F230 WeakPolarHBondContact OG-CE2 3.33Å
229	I	98.8	Very high	87.3	Confident	47 Å²	47	62.1 Å²	62.1	24%	0.241	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117	174.5	-51.4	179.6	0	0	0	108.3	A178 N179 K207 F208 F209 I231	A178-I229 PolarHBondContact N-O 2.94Å; N179-I229 HydrophobicContact CB-CB 4.12Å; N179-I229 HydrophobicContact CB-CD1 4.32Å; N179-I229 HydrophobicContact CB-CG1 4.17Å; N179-I229 PolarHBondContact N-O 2.93Å; N179-I229 VanDerWaalsContact N-O 3.11Å; N179-I229 PolarHBondContact O-N 2.7Å; K207-I229 HydrophobicContact CB-CG2 4.26Å; K207-I229 HydrophobicContact CG-CG2 4.48Å; F208-I229 WeakPolarHBondContact O-CA 3.45Å; F209-I229 HydrophobicContact CD1-CD1 4.24Å; F209-I229 HydrophobicContact CD1-CG1 3.92Å; F209-I229 HydrophobicContact CE1-CD1 3.79Å; F209-I229 HydrophobicContact CE1-CG1 3.97Å; I229-I231 HydrophobicContact CG2-CD1 4.38Å
230	F	98.3	Very high	85.1	Confident	5 Å²	5	62.8 Å²	62.8	2%	0.022	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	141.6	173.6	-76.4	-90.6	0	0	0	110.5	V164 A168 V175 V176 T177 K207 F208 S228	V164-F230 HydrophobicContact CB-CE2 4.02Å; V164-F230 HydrophobicContact CG2-CE2 3.6Å; V164-F230 HydrophobicContact CG2-CZ 3.86Å; A168-F230 HydrophobicContact CB-CB 3.72Å; A168-F230 HydrophobicContact CB-CD1 4.23Å; A168-F230 HydrophobicContact CB-CD2 3.81Å; A168-F230 HydrophobicContact CB-CG 3.63Å; V175-F230 HydrophobicContact CB-CB 4.13Å; V175-F230 HydrophobicContact CB-CD1 4.36Å; V175-F230 HydrophobicContact CG2-CB 4.25Å; V175-F230 HydrophobicContact CG2-CD1 3.86Å; V175-F230 HydrophobicContact CG2-CG 4.36Å; V176-F230 CarbonylContact O-C 3.46Å; V176-F230 WeakPolarHBondContact O-CA 3.44Å; T177-F230 HydrophobicContact CG2-CE1 4.15Å; T177-F230 HydrophobicContact CG2-CZ 3.97Å; T177-F230 WeakPolarHBondContact OG1-CE1 3.5Å; T177-F230 WeakPolarHBondContact OG1-CZ 3.41Å; K207-F230 CarbonylContact C-O 3.56Å; K207-F230 WeakPolarHBondContact CA-O 3.37Å; F208-F230 HydrophobicContact CB-CB 4.12Å; F208-F230 PolarHBondContact N-O 2.86Å; F208-F230 PolarHBondContact O-N 3.11Å; S228-F230 WeakPolarHBondContact OG-CE2 3.33Å
231	I	96.4	Very high	84.5	Confident	40 Å²	40	57.9 Å²	57.9	21%	0.205	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.8	178.4	-59.6	-63.8	0	0	0	109.5	V175 V176 A178 R206 K207 I229 L233	V175-I231 VanDerWaalsContact CA-O 3.29Å; V175-I231 WeakPolarHBondContact CA-O 3.43Å; V176-I231 HydrophobicContact CG2-CB 4.47Å; V176-I231 PolarHBondContact N-O 3.45Å; V176-I231 PolarHBondContact O-N 2.97Å; A178-I231 HydrophobicContact CB-CD1 4.43Å; A178-I231 HydrophobicContact CB-CG1 3.53Å; R206-I231 WeakPolarHBondContact O-CA 3.48Å; K207-I231 HydrophobicContact CB-CD1 4.44Å; K207-I231 HydrophobicContact CG-CD1 3.82Å; I229-I231 HydrophobicContact CG2-CD1 4.38Å; I231-L233 PolarHBondContact O-N 3.22Å
232	K	92.5	Very high	83.8	Confident	86 Å²	86	58.7 Å²	58.7	37%	0.374	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	128	170.8	178.9	167	-176.8	157.5	0	110.5	G172 V175 R206 F208	G172-K232 VanDerWaalsContact O-CD 3.29Å; G172-K232 WeakPolarHBondContact O-CD 3.5Å; G172-K232 WeakPolarHBondContact O-CE 3.46Å; G172-K232 PolarHBondContact O-NZ 3.04Å; V175-K232 HydrophobicContact CG1-CB 4.15Å; R206-K232 HydrophobicContact CB-CB 4.35Å; R206-K232 WeakPolarHBondContact CD-O 3.28Å; R206-K232 PolarHBondContact NH1-O 3.21Å; R206-K232 PolarHBondContact O-N 3.34Å; F208-K232 HydrophobicContact CD2-CB 4.3Å; F208-K232 HydrophobicContact CE2-CB 3.77Å; F208-K232 HydrophobicContact CE2-CD 4.22Å; F208-K232 HydrophobicContact CZ-CD 4.44Å
233	L	85.8	Confident	82.9	Confident	15 Å²	15	59.6 Å²	59.6	8%	0.079	34%	0.336	C	S	.	.			trans	-71.4	157.8	179.1	-57.9	-167.7	0	0	0	111.4	L94 V174 V176 I231 L239	L94-L233 HydrophobicContact CD1-CD1 3.7Å; L94-L233 HydrophobicContact CD2-CD1 3.77Å; L94-L233 HydrophobicContact CG-CD1 3.5Å; L94-L233 VanDerWaalsContact CG-CD1 3.5Å; V174-L233 HydrophobicContact CG1-CD1 3.71Å; V174-L233 HydrophobicContact CG1-CG 4.12Å; V174-L233 PolarHBondContact O-N 3.3Å; V176-L233 HydrophobicContact CG1-CD1 4.22Å; V176-L233 HydrophobicContact CG1-CD2 4.04Å; V176-L233 HydrophobicContact CG1-CG 4.38Å; V176-L233 HydrophobicContact CG2-CD2 3.8Å; I231-L233 PolarHBondContact O-N 3.22Å; L233-L239 HydrophobicContact CD1-CD1 4.15Å; L233-L239 HydrophobicContact CD2-CD1 3.92Å
234	N	76.6	Confident	82	Confident	66 Å²	66	61.4 Å²	61.4	35%	0.353	35%	0.349	S	S	.	.			trans	-108.9	112.6	173	-179.8	-7.4	0	0	0	108.3	A236 K237	N234-A236 PolarHBondContact O-N 2.78Å; N234-A236 PolarHBondContact OD1-N 3.13Å; N234-K237 HydrophobicContact CB-CB 4.42Å; N234-K237 PolarHBondContact O-N 3.28Å
235	P	64.6	Low	80.9	Confident	88 Å²	88	65.2 Å²	65.2	57%	0.571	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-29.9	177.3	-33.8	39.1	0	0	0	115.4	H93	H93-P235 VanDerWaalsContact CE1-CB 3.47Å; H93-P235 WeakPolarHBondContact CE1-CB 3.26Å
236	A	59.8	Low	79.7	Confident	89 Å²	89	65.7 Å²	65.7	74%	0.736	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	7.6	-178.4	0	0	0	0	0	114.5	N234	N234-A236 PolarHBondContact O-N 2.78Å; N234-A236 PolarHBondContact OD1-N 3.13Å
237	K	61	Low	78.4	Confident	153 Å²	153	70 Å²	70	67%	0.665	40%	0.402	S	S	*	.	S	Bend	trans	-136.1	108	174.7	-69	-164.9	173.9	-166.1	0	111	N234	N234-K237 HydrophobicContact CB-CB 4.42Å; N234-K237 PolarHBondContact O-N 3.28Å
238	S	55.5	Low	76.8	Confident	81 Å²	81	69.5 Å²	69.5	57%	0.566	40%	0.397	S	S	*	.			trans	-52	146.7	164.4	-174	0	0	0	0	110.9	T240	S238-T240 VanDerWaalsContact C-N 3.31Å; S238-T240 VanDerWaalsContact CB-O 3.27Å; S238-T240 WeakPolarHBondContact CB-O 3.41Å; S238-T240 PolarHBondContact OG-N 2.93Å; S238-T240 PolarHBondContact OG-O 3.25Å; S238-T240 PolarHBondContact OG-OG1 2.78Å
239	L	57.6	Low	74.9	Confident	105 Å²	105	74.9 Å²	74.9	55%	0.55	43%	0.427	S	S	.	.			trans	-87.2	-4.1	172	-72.4	164.2	0	0	0	112.9	L94 L233	L94-L239 HydrophobicContact CD2-CD1 3.52Å; L94-L239 HydrophobicContact CG-CD1 4.31Å; L233-L239 HydrophobicContact CD1-CD1 4.15Å; L233-L239 HydrophobicContact CD2-CD1 3.92Å
240	T	52.3	Low	72.8	Confident	124 Å²	124	77.5 Å²	77.5	76%	0.761	44%	0.444	S	S	*	.			trans	-131.4	0	177	53.8	0	0	0	0	110.2	D96 S238	D96-T240 HydrophobicContact CB-CG2 4.47Å; S238-T240 VanDerWaalsContact C-N 3.31Å; S238-T240 VanDerWaalsContact CB-O 3.27Å; S238-T240 WeakPolarHBondContact CB-O 3.41Å; S238-T240 PolarHBondContact OG-N 2.93Å; S238-T240 PolarHBondContact OG-O 3.25Å; S238-T240 PolarHBondContact OG-OG1 2.78Å

Retrieved 240 of 240 residues in 664.9 ms (Link to these results)

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