A0A061IG10_CRIGR Loading...

Acyl-coenzyme A thioesterase THEM4

AlphaFold DB , UniProt , Accession A0A061IG10, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Them4, Length 230 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	34.5	Very low	34.4	Very low	235 Å²	235	167 Å²	167	100%	1.158	88%	0.875	S	S	*	*				0	125.6	0	-76.8	-178.7	171	0	0	108.7
2	L	31.9	Very low	34.2	Very low	155 Å²	155	167.6 Å²	167.6	81%	0.812	88%	0.878	S	S	*	*			trans	42.6	144.6	149.4	-62	157	0	0	0	120.2
3	R	31.9	Very low	34.4	Very low	228 Å²	228	165.8 Å²	165.8	86%	0.86	88%	0.878	S	S	*	*			cis	-176.2	143.3	-18.9	-119.1	-176.1	-171.2	-158.3	2	105.2
4	S	33.4	Very low	34.7	Very low	107 Å²	107	160.5 Å²	160.5	75%	0.748	87%	0.87	S	S	*	*			trans	16	132.8	146.9	-163.8	0	0	0	0	121.6
5	C	34.9	Very low	35.2	Very low	138 Å²	138	156 Å²	156	93%	0.932	86%	0.863	S	S	*	*			trans	-154.1	125.9	138.7	-94.7	0	0	0	0	111
6	A	34.3	Very low	35.5	Very low	99 Å²	99	154.1 Å²	154.1	82%	0.818	86%	0.86	S	S	*	*			trans	-104.5	135.9	172.1	0	0	0	0	0	109.6
7	A	37.8	Very low	36	Very low	100 Å²	100	150.9 Å²	150.9	83%	0.826	86%	0.858	S	S	*	*			trans	-116.9	119.3	169.7	0	0	0	0	0	109.5
8	R	36.1	Very low	36.2	Very low	248 Å²	248	156.1 Å²	156.1	94%	0.936	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-79.3	125.1	175.4	-78	178.2	168.9	-162.1	-3.6	110
9	L	37.6	Very low	36.4	Very low	178 Å²	178	160.4 Å²	160.4	93%	0.932	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-73.6	140.7	164.1	-102.1	88.8	0	0	0	111
10	R	33.8	Very low	36.7	Very low	226 Å²	226	158.8 Å²	158.8	85%	0.853	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-101.9	150.4	174.9	-99.2	-177.8	180	173.6	0.4	110.9
11	T	32.1	Very low	37.1	Very low	123 Å²	123	153.8 Å²	153.8	76%	0.755	85%	0.847	S	S	*	*			trans	72.9	119.5	148.7	52.5	0	0	0	0	121
12	L	31.6	Very low	37.3	Very low	174 Å²	174	148 Å²	148	91%	0.911	83%	0.827	S	S	*	*				-163.4	111.5	108.3	-98.3	150.2	0	0	0	108.9
13	V	36.9	Very low	37.7	Very low	144 Å²	144	146.9 Å²	146.9	87%	0.873	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-90.7	121.9	172.1	174.2	0	0	0	0	107.6
14	A	39.2	Very low	37.6	Very low	92 Å²	92	147 Å²	147	76%	0.76	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-70.8	134	177	0	0	0	0	0	111.3
15	A	41.2	Very low	37.8	Very low	93 Å²	93	152.3 Å²	152.3	77%	0.769	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-74.9	141.8	172.4	0	0	0	0	0	110.8
16	P	39.9	Very low	37.8	Very low	126 Å²	126	153.6 Å²	153.6	82%	0.818	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-75.3	136.2	-179.3	28.3	-30.9	0	0	0	111.7	R18	P16-R18 PolarHBondContact O-N 2.94Å
17	A	44.7	Very low	37.8	Very low	99 Å²	99	158.1 Å²	158.1	82%	0.818	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-60.3	127	178.2	0	0	0	0	0	111.9	R19	A17-R19 PolarHBondContact O-N 3.49Å
18	R	38.9	Very low	37.9	Very low	245 Å²	245	158.3 Å²	158.3	93%	0.925	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-66.4	123	171.7	-86.6	179.5	171.2	177.8	-2.6	109.7	P16	P16-R18 PolarHBondContact O-N 2.94Å
19	R	41.4	Very low	38.3	Very low	237 Å²	237	151.4 Å²	151.4	89%	0.894	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-63.7	135.2	168.8	-66.7	-176.3	178.7	-169.4	-0.7	109.3	A17 G21	A17-R19 PolarHBondContact O-N 3.49Å; R19-G21 PolarHBondContact O-N 2.88Å
20	P	42.6	Very low	38.4	Very low	129 Å²	129	151.1 Å²	151.1	84%	0.838	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-64.7	124.9	172.8	24.8	-29.3	0	0	0	109.1
21	G	44.3	Very low	39.1	Very low	54 Å²	54	149.4 Å²	149.4	56%	0.557	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-65.5	163.4	175.6	0	0	0	0	0	111.7	R19 V23	R19-G21 PolarHBondContact O-N 2.88Å; G21-V23 PolarHBondContact O-N 2.99Å
22	P	38.7	Very low	40.4	Very low	112 Å²	112	148.9 Å²	148.9	73%	0.727	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-60	124.1	179.8	9.6	-7.1	0	0	0	109.6	W24	P22-W24 PolarHBondContact O-N 2.9Å
23	V	39.4	Very low	42	Very low	132 Å²	132	147 Å²	147	80%	0.8	80%	0.798	S	S	*	*			trans	-64.9	104.2	169.3	177.7	0	0	0	0	106.4	G21 R25	G21-V23 PolarHBondContact O-N 2.99Å; V23-R25 VanDerWaalsContact C-N 3.33Å; V23-R25 PolarHBondContact O-N 3Å
24	W	31.2	Very low	44.1	Very low	230 Å²	230	143.3 Å²	143.3	87%	0.871	77%	0.772	S	S	*	*			trans	-59	101.8	166	-66.5	96.2	0	0	0	106.8	P22 L26	P22-W24 PolarHBondContact O-N 2.9Å; W24-L26 VanDerWaalsContact C-N 3.31Å; W24-L26 PolarHBondContact O-N 3.06Å
25	R	37	Very low	46.5	Very low	219 Å²	219	144.5 Å²	144.5	83%	0.826	76%	0.759	S	S	*	*			trans	-59.3	105.6	164.6	-76.9	-170.2	-167	-151.2	3.6	105.3	V23 F27	V23-R25 VanDerWaalsContact C-N 3.33Å; V23-R25 PolarHBondContact O-N 3Å; R25-F27 VanDerWaalsContact C-N 3.3Å; R25-F27 PolarHBondContact O-N 3.39Å
26	L	34.4	Very low	49.1	Very low	165 Å²	165	141.1 Å²	141.1	86%	0.864	73%	0.729	S	S	*	*			trans	-58	104.8	163.5	-155.2	81.2	0	0	0	104.5	W24 S28	W24-L26 VanDerWaalsContact C-N 3.31Å; W24-L26 PolarHBondContact O-N 3.06Å; L26-S28 PolarHBondContact O-N 3.42Å
27	F	35.2	Very low	51.8	Low	195 Å²	195	137.5 Å²	137.5	86%	0.855	70%	0.699	S	S	*	*			trans	-60.6	96	167.7	-80.2	-87.4	0	0	0	105.4	R25 S29	R25-F27 VanDerWaalsContact C-N 3.3Å; R25-F27 PolarHBondContact O-N 3.39Å; F27-S29 PolarHBondContact O-N 3.25Å
28	S	39	Very low	54.2	Low	103 Å²	103	132.8 Å²	132.8	72%	0.72	66%	0.66	S	S	*	*			trans	-59.4	101.7	160.8	175.9	0	0	0	0	104.3	L26 E30	L26-S28 PolarHBondContact O-N 3.42Å; S28-E30 PolarHBondContact O-N 2.93Å
29	S	45	Very low	57	Low	104 Å²	104	124.5 Å²	124.5	73%	0.727	63%	0.634	S	S	*	*			trans	-50.5	109.6	165.6	176.1	0	0	0	0	105.4	F27 K31	F27-S29 PolarHBondContact O-N 3.25Å; S29-K31 PolarHBondContact O-N 2.85Å
30	E	40.3	Very low	59.7	Low	171 Å²	171	115.7 Å²	115.7	80%	0.799	61%	0.607	S	S	*	*			trans	-49.9	119.7	168.9	-81.2	179.5	152	0	0	106.2	S28 V32	S28-E30 PolarHBondContact O-N 2.93Å; E30-V32 VanDerWaalsContact C-N 3.29Å; E30-V32 PolarHBondContact O-N 3.36Å
31	K	48.1	Very low	62.4	Low	190 Å²	190	110.4 Å²	110.4	83%	0.826	57%	0.572	S	S	*	*			trans	-65.4	100.5	172.6	-77	-179	178.9	177.4	0	105.2	S29 V33	S29-K31 PolarHBondContact O-N 2.85Å; K31-V33 PolarHBondContact O-N 2.98Å
32	V	59.8	Low	64.9	Low	112 Å²	112	113.4 Å²	113.4	68%	0.679	58%	0.581	S	S	*	*			trans	-59.2	105.5	172.3	179.1	0	0	0	0	107	E30 H34	E30-V32 VanDerWaalsContact C-N 3.29Å; E30-V32 PolarHBondContact O-N 3.36Å; V32-H34 PolarHBondContact O-N 3.49Å
33	V	65.6	Low	67.8	Low	135 Å²	135	109.7 Å²	109.7	82%	0.818	56%	0.558	S	S	*	*			trans	-80.4	105.5	176.3	-179.4	0	0	0	0	107.2	K31 K35	K31-V33 PolarHBondContact O-N 2.98Å; V33-K35 PolarHBondContact O-N 2.98Å
34	H	80.3	Confident	70.6	Confident	67 Å²	67	103.8 Å²	103.8	31%	0.31	52%	0.522	S	S	.	.			trans	-71.3	120.7	174	-66.6	-73.1	0	0	0	109.9	V32 D36 Y70	V32-H34 PolarHBondContact O-N 3.49Å; H34-D36 PolarHBondContact O-N 3Å; H34-Y70 HydrophobicContact CB-CD1 3.67Å; H34-Y70 HydrophobicContact CB-CE1 3.91Å; H34-Y70 HydrophobicContact CB-CG 4.41Å
35	K	90.6	Very high	73.8	Confident	116 Å²	116	94.6 Å²	94.6	50%	0.504	49%	0.492	S	S	.	.			trans	-62.6	122.3	172.3	179	178	176	-177.6	0	109.6	V33 Y37 Y70 E108	V33-K35 PolarHBondContact O-N 2.98Å; K35-Y37 HydrophobicContact CB-CD2 4.49Å; K35-Y37 HydrophobicContact CB-CE2 4.02Å; K35-Y37 HydrophobicContact CD-CE1 4.23Å; K35-Y37 HydrophobicContact CD-CE2 4.1Å; K35-Y37 HydrophobicContact CG-CD2 4.27Å; K35-Y37 HydrophobicContact CG-CE2 4.02Å; K35-Y37 VanDerWaalsContact O-CD2 3.25Å; K35-Y37 WeakPolarHBondContact O-CD2 3.35Å; K35-Y70 WeakPolarHBondContact O-CD1 3.3Å; K35-E108 IonicContact NZ-OE2 2.87Å
36	D	94.7	Very high	76.7	Confident	23 Å²	23	92.8 Å²	92.8	12%	0.123	49%	0.491	C	S	.	.			trans	-81.2	111	171	-173	-3.4	0	0	0	109.3	H34 G38 L39 R66 S68 S69 Y70	H34-D36 PolarHBondContact O-N 3Å; D36-G38 VanDerWaalsContact C-N 3.28Å; D36-G38 WeakPolarHBondContact OD1-CA 3.35Å; D36-G38 PolarHBondContact OD1-N 3.02Å; D36-L39 HydrophobicContact CB-CD1 4.07Å; D36-L39 HydrophobicContact CB-CG 4.31Å; D36-R66 IonicContact OD1-NH1 2.8Å; D36-R66 IonicContact OD2-CZ 3.71Å; D36-R66 VanDerWaalsContact OD2-CZ 3.31Å; D36-R66 IonicContact OD2-NH1 2.87Å; D36-R66 PolarHBondContact OD2-NH1 3.29Å; D36-R66 IonicContact OD2-NH2 3.31Å; D36-R66 PolarHBondContact OD2-NH2 3.03Å; D36-S68 WeakPolarHBondContact OD1-CA 3.45Å; D36-S68 WeakPolarHBondContact OD2-CA 3.43Å; D36-S68 VanDerWaalsContact OD2-CB 3.26Å; D36-S68 WeakPolarHBondContact OD2-CB 2.84Å; D36-S68 PolarHBondContact OD2-OG 2.77Å; D36-S69 CarbonylContact C-O 3.58Å; D36-S69 PolarHBondContact OD1-N 3.39Å; D36-Y70 HydrophobicContact CB-CE1 4.2Å
37	Y	96.3	Very high	79.8	Confident	49 Å²	49	89.1 Å²	89.1	19%	0.192	47%	0.472	C	S	.	.	S	Bend	trans	-83.3	-3.5	178	-71.7	-99.5	0	0	0	112.7	K35 L39 S69 R71 R104	K35-Y37 HydrophobicContact CB-CD2 4.49Å; K35-Y37 HydrophobicContact CB-CE2 4.02Å; K35-Y37 HydrophobicContact CD-CE1 4.23Å; K35-Y37 HydrophobicContact CD-CE2 4.1Å; K35-Y37 HydrophobicContact CG-CD2 4.27Å; K35-Y37 HydrophobicContact CG-CE2 4.02Å; K35-Y37 VanDerWaalsContact O-CD2 3.25Å; K35-Y37 WeakPolarHBondContact O-CD2 3.35Å; Y37-L39 PolarHBondContact O-N 3.34Å; Y37-S69 PolarHBondContact N-O 2.83Å; Y37-R71 HydrophobicContact CD2-CB 4.4Å; Y37-R71 HydrophobicContact CE2-CB 3.78Å; Y37-R104 PolarHBondContact O-NH1 3.21Å; Y37-R104 VanDerWaalsContact O-NH1 3.09Å; Y37-R104 PolarHBondContact O-NH2 2.94Å
38	G	96.2	Very high	82.8	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	43%	0.431	C	S	.	.	S	Bend	trans	-87.5	24.1	171.9	0	0	0	0	0	113.5	D36 R66 V115	D36-G38 VanDerWaalsContact C-N 3.28Å; D36-G38 WeakPolarHBondContact OD1-CA 3.35Å; D36-G38 PolarHBondContact OD1-N 3.02Å; G38-R66 PolarHBondContact O-NH1 2.99Å; G38-V115 WeakPolarHBondContact O-CG2 3.34Å
39	L	97.8	Very high	85.6	Confident	72 Å²	72	79.2 Å²	79.2	38%	0.377	41%	0.413	S	S	.	.	S	Bend	trans	-119.6	153.3	178	-70.7	177	0	0	0	110.7	D36 Y37 N41 W44 F52	D36-L39 HydrophobicContact CB-CD1 4.07Å; D36-L39 HydrophobicContact CB-CG 4.31Å; Y37-L39 PolarHBondContact O-N 3.34Å; L39-N41 PolarHBondContact O-N 3.26Å; L39-W44 WeakPolarHBondContact O-CZ2 3.4Å; L39-F52 HydrophobicContact CD2-CZ 4.32Å
40	P	98.2	Very high	88.2	Confident	52 Å²	52	78.8 Å²	78.8	34%	0.338	40%	0.402	S	S	.	.			trans	-55.9	137.4	179.8	-24.8	33	0	0	0	113.3	W44 F52	P40-W44 HydrophobicContact CB-CD2 4.34Å; P40-W44 HydrophobicContact CB-CE3 3.87Å; P40-W44 HydrophobicContact CB-CZ3 4.12Å; P40-W44 HydrophobicContact CG-CE3 3.97Å; P40-W44 HydrophobicContact CG-CH2 4.39Å; P40-W44 HydrophobicContact CG-CZ3 3.73Å; P40-F52 HydrophobicContact CG-CD1 3.82Å; P40-F52 HydrophobicContact CG-CE1 3.69Å; P40-F52 HydrophobicContact CG-CG 4.33Å; P40-F52 HydrophobicContact CG-CZ 4.08Å
41	N	98	Very high	90.9	Very high	17 Å²	17	71.2 Å²	71.2	9%	0.091	37%	0.367	C	S	.	.			trans	-137	163.6	175.1	67.9	58.5	0	0	0	110.3	L39 S43 W44 R49 E108 E113	L39-N41 PolarHBondContact O-N 3.26Å; N41-S43 PolarHBondContact O-N 2.88Å; N41-S43 WeakPolarHBondContact OD1-CB 3.41Å; N41-S43 PolarHBondContact OD1-N 2.81Å; N41-S43 PolarHBondContact OD1-OG 2.82Å; N41-W44 PolarHBondContact ND2-NE1 2.83Å; N41-W44 VanDerWaalsContact ND2-NE1 3.18Å; N41-W44 WeakPolarHBondContact O-CB 3.35Å; N41-W44 PolarHBondContact O-N 2.94Å; N41-R49 PolarHBondContact O-NH2 3.11Å; N41-E108 VanDerWaalsContact CB-CD 3.49Å; N41-E108 HydrophobicContact CB-CG 4.18Å; N41-E108 WeakPolarHBondContact CB-OE2 3.18Å; N41-E108 VanDerWaalsContact CG-CG 3.47Å; N41-E108 WeakPolarHBondContact OD1-CG 3.21Å; N41-E108 PolarHBondContact OD1-OE1 2.89Å; N41-E113 PolarHBondContact ND2-OE2 2.87Å
42	P	98.3	Very high	93.4	Very high	117 Å²	117	62.9 Å²	62.9	76%	0.76	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-30.1	-177.9	-33.4	35.4	0	0	0	116.6	W44 E108	P42-W44 VanDerWaalsContact C-N 3.34Å; P42-W44 PolarHBondContact O-N 3.31Å; P42-E108 VanDerWaalsContact CD-OE1 3.22Å; P42-E108 WeakPolarHBondContact CD-OE1 3.46Å
43	S	98.3	Very high	95.2	Very high	35 Å²	35	62.3 Å²	62.3	25%	0.245	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.3	179.7	78.6	0	0	0	0	115.2	N41 S45 G109 Q130	N41-S43 PolarHBondContact O-N 2.88Å; N41-S43 WeakPolarHBondContact OD1-CB 3.41Å; N41-S43 PolarHBondContact OD1-N 2.81Å; N41-S43 PolarHBondContact OD1-OG 2.82Å; S43-S45 PolarHBondContact O-N 3.07Å; S43-G109 VanDerWaalsContact OG-CA 3.32Å; S43-G109 WeakPolarHBondContact OG-CA 3.27Å; S43-G109 PolarHBondContact OG-N 2.88Å; S43-Q130 PolarHBondContact O-NE2 3.03Å
44	W	98.6	Very high	96.8	Very high	7 Å²	7	60.5 Å²	60.5	3%	0.027	31%	0.307	C	S	.	.			trans	-68	125.4	-178.8	-75.4	24.1	0	0	0	111.1	L39 P40 N41 P42 L48 R49 F52 E113 V115	L39-W44 WeakPolarHBondContact O-CZ2 3.4Å; P40-W44 HydrophobicContact CB-CD2 4.34Å; P40-W44 HydrophobicContact CB-CE3 3.87Å; P40-W44 HydrophobicContact CB-CZ3 4.12Å; P40-W44 HydrophobicContact CG-CE3 3.97Å; P40-W44 HydrophobicContact CG-CH2 4.39Å; P40-W44 HydrophobicContact CG-CZ3 3.73Å; N41-W44 PolarHBondContact ND2-NE1 2.83Å; N41-W44 VanDerWaalsContact ND2-NE1 3.18Å; N41-W44 WeakPolarHBondContact O-CB 3.35Å; N41-W44 PolarHBondContact O-N 2.94Å; P42-W44 VanDerWaalsContact C-N 3.34Å; P42-W44 PolarHBondContact O-N 3.31Å; W44-L48 HydrophobicContact CB-CD2 4.14Å; W44-L48 HydrophobicContact CD2-CD2 3.4Å; W44-L48 HydrophobicContact CD2-CG 3.8Å; W44-L48 HydrophobicContact CE3-CD2 3.81Å; W44-L48 HydrophobicContact CE3-CG 3.64Å; W44-L48 HydrophobicContact CG-CD2 3.56Å; W44-L48 HydrophobicContact CG-CG 4.22Å; W44-L48 HydrophobicContact CZ2-CD2 4.32Å; W44-L48 HydrophobicContact CZ3-CD2 4.42Å; W44-L48 HydrophobicContact CZ3-CG 4.13Å; W44-R49 HydrophobicContact CB-CG 3.96Å; W44-R49 HydrophobicContact CE3-CG 4.31Å; W44-R49 PolarHBondContact O-NE 3.07Å; W44-F52 HydrophobicContact CH2-CD2 4.09Å; W44-F52 HydrophobicContact CZ3-CB 3.87Å; W44-F52 AromaticContact CZ3-CD2 3.84Å; W44-F52 HydrophobicContact CZ3-CD2 3.84Å; W44-F52 AromaticContact CZ3-CG 3.85Å; W44-F52 HydrophobicContact CZ3-CG 3.85Å; W44-E113 PolarHBondContact NE1-OE2 2.8Å; W44-V115 HydrophobicContact CH2-CB 3.94Å; W44-V115 HydrophobicContact CH2-CG1 3.79Å; W44-V115 HydrophobicContact CZ3-CG1 4.37Å
45	S	98.5	Very high	97.6	Very high	37 Å²	37	58.5 Å²	58.5	26%	0.259	30%	0.297	S	S	.	.			trans	-62.8	166.1	173.3	66.6	0	0	0	0	112	S43 D47 L48 R49 Q130 V183	S43-S45 PolarHBondContact O-N 3.07Å; S45-D47 VanDerWaalsContact C-N 3.26Å; S45-D47 PolarHBondContact O-N 2.85Å; S45-L48 PolarHBondContact O-N 2.86Å; S45-L48 PolarHBondContact OG-N 2.99Å; S45-R49 WeakPolarHBondContact O-CG 3.45Å; S45-R49 PolarHBondContact O-N 3.15Å; S45-R49 VanDerWaalsContact O-N 3.11Å; S45-Q130 PolarHBondContact OG-OE1 2.76Å; S45-V183 WeakPolarHBondContact OG-CG2 3.44Å
46	K	98.3	Very high	98	Very high	181 Å²	181	56.3 Å²	56.3	79%	0.787	29%	0.289	S	S	*	.	H	α-helix	trans	-59.1	-39.7	175	-67.1	-178.4	179.8	178.4	0	111.7	R49 L50	K46-R49 PolarHBondContact O-N 2.96Å; K46-L50 WeakPolarHBondContact O-CB 3.46Å; K46-L50 PolarHBondContact O-N 3.17Å
47	D	97.9	Very high	98.2	Very high	88 Å²	88	62 Å²	62	47%	0.471	31%	0.313	S	S	.	.	H	α-helix	trans	-67.2	-43.5	-178.3	-63.4	-16.7	0	0	0	111.6	S45 R49 L50 L51 V183 V207	S45-D47 VanDerWaalsContact C-N 3.26Å; S45-D47 PolarHBondContact O-N 2.85Å; D47-R49 VanDerWaalsContact C-N 3.34Å; D47-R49 PolarHBondContact O-N 3.11Å; D47-L50 PolarHBondContact O-N 2.59Å; D47-L51 WeakPolarHBondContact O-CG 3.39Å; D47-L51 PolarHBondContact O-N 2.97Å; D47-V183 HydrophobicContact CB-CB 4.31Å; D47-V183 HydrophobicContact CB-CG2 4Å; D47-V207 HydrophobicContact CB-CG2 4.43Å
48	L	98.7	Very high	98.3	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.1	-41.3	177.1	-179.5	58	0	0	0	111.3	W44 S45 F52 E113 L128 Q130 V183	W44-L48 HydrophobicContact CB-CD2 4.14Å; W44-L48 HydrophobicContact CD2-CD2 3.4Å; W44-L48 HydrophobicContact CD2-CG 3.8Å; W44-L48 HydrophobicContact CE3-CD2 3.81Å; W44-L48 HydrophobicContact CE3-CG 3.64Å; W44-L48 HydrophobicContact CG-CD2 3.56Å; W44-L48 HydrophobicContact CG-CG 4.22Å; W44-L48 HydrophobicContact CZ2-CD2 4.32Å; W44-L48 HydrophobicContact CZ3-CD2 4.42Å; W44-L48 HydrophobicContact CZ3-CG 4.13Å; S45-L48 PolarHBondContact O-N 2.86Å; S45-L48 PolarHBondContact OG-N 2.99Å; L48-F52 VanDerWaalsContact O-CB 3.31Å; L48-F52 WeakPolarHBondContact O-CB 3.41Å; L48-F52 PolarHBondContact O-N 3.36Å; L48-E113 HydrophobicContact CD2-CB 4.41Å; L48-L128 HydrophobicContact CD1-CB 3.54Å; L48-L128 HydrophobicContact CD1-CD1 4.46Å; L48-Q130 HydrophobicContact CD2-CB 3.74Å; L48-V183 HydrophobicContact CB-CG1 4.26Å; L48-V183 HydrophobicContact CB-CG2 3.88Å; L48-V183 HydrophobicContact CD1-CG1 4.29Å
49	R	98.8	Very high	98.4	Very high	90 Å²	90	65.3 Å²	65.3	34%	0.34	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-44.7	176.1	-70	169.1	-179.2	-87.2	5.2	112	N41 W44 S45 K46 D47 F52 D53	N41-R49 PolarHBondContact O-NH2 3.11Å; W44-R49 HydrophobicContact CB-CG 3.96Å; W44-R49 HydrophobicContact CE3-CG 4.31Å; W44-R49 PolarHBondContact O-NE 3.07Å; S45-R49 WeakPolarHBondContact O-CG 3.45Å; S45-R49 PolarHBondContact O-N 3.15Å; S45-R49 VanDerWaalsContact O-N 3.11Å; K46-R49 PolarHBondContact O-N 2.96Å; D47-R49 VanDerWaalsContact C-N 3.34Å; D47-R49 PolarHBondContact O-N 3.11Å; R49-F52 WeakPolarHBondContact O-CB 3.49Å; R49-F52 PolarHBondContact O-N 3.07Å; R49-D53 PolarHBondContact O-N 3.38Å
50	L	98.4	Very high	98.4	Very high	95 Å²	95	69.2 Å²	69.2	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-47.7	178.1	178.7	63.5	0	0	0	111.4	K46 D47 F52 D53 Q54	K46-L50 WeakPolarHBondContact O-CB 3.46Å; K46-L50 PolarHBondContact O-N 3.17Å; D47-L50 PolarHBondContact O-N 2.59Å; L50-F52 VanDerWaalsContact C-N 3.32Å; L50-F52 PolarHBondContact O-N 3.44Å; L50-D53 PolarHBondContact O-N 2.83Å; L50-Q54 VanDerWaalsContact O-CG 3.3Å; L50-Q54 WeakPolarHBondContact O-CG 3.35Å; L50-Q54 PolarHBondContact O-N 3.19Å
51	L	98.6	Very high	98.3	Very high	12 Å²	12	72.7 Å²	72.7	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-63.1	-39.5	176.3	-74.6	176	0	0	0	111.8	D47 Q54 F55 L128 V183 V185 V207	D47-L51 WeakPolarHBondContact O-CG 3.39Å; D47-L51 PolarHBondContact O-N 2.97Å; L51-Q54 PolarHBondContact O-N 2.84Å; L51-F55 WeakPolarHBondContact O-CD2 3.47Å; L51-F55 PolarHBondContact O-N 3.42Å; L51-L128 HydrophobicContact CB-CD1 3.66Å; L51-L128 HydrophobicContact CB-CD2 4.18Å; L51-L128 HydrophobicContact CB-CG 4.47Å; L51-L128 HydrophobicContact CD1-CD2 4.28Å; L51-V183 HydrophobicContact CD1-CG1 3.98Å; L51-V185 HydrophobicContact CD1-CG2 3.94Å; L51-V207 HydrophobicContact CD1-CB 4.36Å; L51-V207 HydrophobicContact CD1-CG1 3.95Å; L51-V207 HydrophobicContact CD1-CG2 3.87Å; L51-V207 HydrophobicContact CD2-CG1 4.14Å; L51-V207 HydrophobicContact CG-CG1 4.12Å
52	F	98.8	Very high	98.3	Very high	16 Å²	16	74.8 Å²	74.8	7%	0.07	39%	0.389	C	S	.	.	H	α-helix	trans	-58.7	-49.1	174.7	173	-94	0	0	0	111.4	L39 P40 W44 L48 R49 L50 Q54 F55 M56 V115 F117 L128	L39-F52 HydrophobicContact CD2-CZ 4.32Å; P40-F52 HydrophobicContact CG-CD1 3.82Å; P40-F52 HydrophobicContact CG-CE1 3.69Å; P40-F52 HydrophobicContact CG-CG 4.33Å; P40-F52 HydrophobicContact CG-CZ 4.08Å; W44-F52 HydrophobicContact CH2-CD2 4.09Å; W44-F52 HydrophobicContact CZ3-CB 3.87Å; W44-F52 AromaticContact CZ3-CD2 3.84Å; W44-F52 HydrophobicContact CZ3-CD2 3.84Å; W44-F52 AromaticContact CZ3-CG 3.85Å; W44-F52 HydrophobicContact CZ3-CG 3.85Å; L48-F52 VanDerWaalsContact O-CB 3.31Å; L48-F52 WeakPolarHBondContact O-CB 3.41Å; L48-F52 PolarHBondContact O-N 3.36Å; R49-F52 WeakPolarHBondContact O-CB 3.49Å; R49-F52 PolarHBondContact O-N 3.07Å; L50-F52 VanDerWaalsContact C-N 3.32Å; L50-F52 PolarHBondContact O-N 3.44Å; F52-Q54 VanDerWaalsContact C-N 3.32Å; F52-Q54 PolarHBondContact O-N 2.97Å; F52-F55 PolarHBondContact O-N 3.36Å; F52-M56 HydrophobicContact CD1-CG 3.96Å; F52-M56 HydrophobicContact CD2-CG 4.3Å; F52-M56 HydrophobicContact CE1-CG 3.55Å; F52-M56 HydrophobicContact CE1-SD 4.42Å; F52-M56 HydrophobicContact CE2-CG 3.96Å; F52-M56 HydrophobicContact CE2-SD 4.1Å; F52-M56 HydrophobicContact CG-CG 4.33Å; F52-M56 HydrophobicContact CZ-CG 3.56Å; F52-M56 HydrophobicContact CZ-SD 3.84Å; F52-M56 WeakPolarHBondContact O-CB 3.22Å; F52-M56 VanDerWaalsContact O-CG 3.29Å; F52-M56 WeakPolarHBondContact O-CG 3.32Å; F52-M56 PolarHBondContact O-N 2.82Å; F52-V115 HydrophobicContact CD2-CG1 4.06Å; F52-V115 HydrophobicContact CD2-CG2 4.13Å; F52-V115 HydrophobicContact CE2-CG2 4.15Å; F52-F117 HydrophobicContact CD2-CE2 4.47Å; F52-F117 AromaticContact CD2-CZ 3.84Å; F52-F117 HydrophobicContact CD2-CZ 3.84Å; F52-F117 HydrophobicContact CE2-CZ 4.2Å; F52-L128 HydrophobicContact CB-CD1 4.4Å
53	D	98.6	Very high	98.2	Very high	99 Å²	99	71.4 Å²	71.4	53%	0.529	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-40.4	179.2	-67.1	-23.9	0	0	0	111.4	R49 L50 M56 K57	R49-D53 PolarHBondContact O-N 3.38Å; L50-D53 PolarHBondContact O-N 2.83Å; D53-M56 PolarHBondContact O-N 2.84Å; D53-K57 PolarHBondContact O-N 2.85Å
54	Q	98.5	Very high	98.2	Very high	98 Å²	98	70.2 Å²	70.2	46%	0.458	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-45.3	174.4	-72	174	-0	0	0	112.2	L50 L51 F52 K57 K58	L50-Q54 VanDerWaalsContact O-CG 3.3Å; L50-Q54 WeakPolarHBondContact O-CG 3.35Å; L50-Q54 PolarHBondContact O-N 3.19Å; L51-Q54 PolarHBondContact O-N 2.84Å; F52-Q54 VanDerWaalsContact C-N 3.32Å; F52-Q54 PolarHBondContact O-N 2.97Å; Q54-K57 WeakPolarHBondContact O-CB 3.26Å; Q54-K57 PolarHBondContact O-N 2.83Å; Q54-K58 WeakPolarHBondContact O-CG 3.19Å; Q54-K58 PolarHBondContact O-N 2.86Å; Q54-K58 VanDerWaalsContact O-N 3.15Å
55	F	98.4	Very high	98.2	Very high	24 Å²	24	76.8 Å²	76.8	11%	0.105	39%	0.387	C	S	.	.	H	α-helix	trans	-72.7	-31.7	177.8	-91.9	-93.4	0	0	0	113.1	L51 F52 K57 K58 C59 W64 F117 V126 L128	L51-F55 WeakPolarHBondContact O-CD2 3.47Å; L51-F55 PolarHBondContact O-N 3.42Å; F52-F55 PolarHBondContact O-N 3.36Å; F55-K57 VanDerWaalsContact C-N 3.32Å; F55-K58 HydrophobicContact CD1-CD 4.08Å; F55-K58 HydrophobicContact CE1-CD 4.23Å; F55-K58 HydrophobicContact CG-CD 4.29Å; F55-K58 WeakPolarHBondContact O-CB 3.37Å; F55-K58 PolarHBondContact O-N 2.84Å; F55-C59 PolarHBondContact O-N 2.88Å; F55-C59 PolarHBondContact O-SG 2.94Å; F55-W64 HydrophobicContact CD1-CE3 4.33Å; F55-W64 HydrophobicContact CE1-CD2 4.47Å; F55-W64 HydrophobicContact CE1-CE3 4.13Å; F55-W64 HydrophobicContact CE1-CH2 4.28Å; F55-W64 HydrophobicContact CE1-CZ3 4.02Å; F55-F117 HydrophobicContact CB-CD1 3.79Å; F55-F117 HydrophobicContact CB-CD2 3.69Å; F55-F117 HydrophobicContact CB-CE1 3.59Å; F55-F117 HydrophobicContact CB-CE2 3.48Å; F55-F117 VanDerWaalsContact CB-CE2 3.48Å; F55-F117 HydrophobicContact CB-CG 3.83Å; F55-F117 HydrophobicContact CB-CZ 3.43Å; F55-F117 VanDerWaalsContact CB-CZ 3.43Å; F55-F117 HydrophobicContact CD1-CB 3.69Å; F55-F117 HydrophobicContact CD1-CD1 4.2Å; F55-F117 AromaticContact CD1-CD2 3.74Å; F55-F117 HydrophobicContact CD1-CD2 3.74Å; F55-F117 HydrophobicContact CD1-CE2 4.41Å; F55-F117 AromaticContact CD1-CG 3.62Å; F55-F117 HydrophobicContact CD1-CG 3.62Å; F55-F117 HydrophobicContact CE1-CB 4.25Å; F55-F117 HydrophobicContact CG-CD1 4.43Å; F55-F117 AromaticContact CG-CD2 3.8Å; F55-F117 HydrophobicContact CG-CD2 3.8Å; F55-F117 HydrophobicContact CG-CE2 4.01Å; F55-F117 HydrophobicContact CG-CG 4.02Å; F55-F117 HydrophobicContact CG-CZ 4.41Å; F55-V126 HydrophobicContact CE1-CB 3.77Å; F55-V126 HydrophobicContact CE1-CG1 3.93Å; F55-V126 HydrophobicContact CE1-CG2 3.99Å; F55-V126 HydrophobicContact CE2-CG1 4.18Å; F55-V126 HydrophobicContact CZ-CB 3.87Å; F55-V126 HydrophobicContact CZ-CG1 3.55Å; F55-V126 HydrophobicContact CZ-CG2 4Å; F55-L128 HydrophobicContact CD2-CD1 4.32Å; F55-L128 HydrophobicContact CD2-CD2 4.12Å; F55-L128 HydrophobicContact CE2-CD2 4.01Å
56	M	98.6	Very high	98.2	Very high	70 Å²	70	77.6 Å²	77.6	35%	0.345	39%	0.385	S	S	.	.	H	α-helix	trans	-62.5	-40.8	170.8	-75.4	-59.8	-61.5	0	0	111.1	F52 D53 K58 C59 R66 F117	F52-M56 HydrophobicContact CD1-CG 3.96Å; F52-M56 HydrophobicContact CD2-CG 4.3Å; F52-M56 HydrophobicContact CE1-CG 3.55Å; F52-M56 HydrophobicContact CE1-SD 4.42Å; F52-M56 HydrophobicContact CE2-CG 3.96Å; F52-M56 HydrophobicContact CE2-SD 4.1Å; F52-M56 HydrophobicContact CG-CG 4.33Å; F52-M56 HydrophobicContact CZ-CG 3.56Å; F52-M56 HydrophobicContact CZ-SD 3.84Å; F52-M56 WeakPolarHBondContact O-CB 3.22Å; F52-M56 VanDerWaalsContact O-CG 3.29Å; F52-M56 WeakPolarHBondContact O-CG 3.32Å; F52-M56 PolarHBondContact O-N 2.82Å; D53-M56 PolarHBondContact O-N 2.84Å; M56-K58 VanDerWaalsContact C-N 3.32Å; M56-K58 PolarHBondContact O-N 2.96Å; M56-C59 WeakPolarHBondContact O-CA 3.34Å; M56-C59 VanDerWaalsContact O-CB 3.27Å; M56-C59 WeakPolarHBondContact O-CB 3.34Å; M56-C59 PolarHBondContact O-N 2.8Å; M56-R66 HydrophobicContact SD-CB 4.26Å; M56-F117 HydrophobicContact CG-CE1 4.38Å; M56-F117 HydrophobicContact SD-CE1 3.96Å; M56-F117 HydrophobicContact SD-CZ 4.47Å
57	K	98.6	Very high	98.1	Very high	143 Å²	143	70.7 Å²	70.7	62%	0.622	36%	0.356	S	S	*	.	H	α-helix	trans	-60.5	-40	172	-172.8	176	-178	177.1	0	112.2	D53 Q54 F55 C59 E60	D53-K57 PolarHBondContact O-N 2.85Å; Q54-K57 WeakPolarHBondContact O-CB 3.26Å; Q54-K57 PolarHBondContact O-N 2.83Å; F55-K57 VanDerWaalsContact C-N 3.32Å; K57-C59 PolarHBondContact O-N 2.93Å; K57-E60 WeakPolarHBondContact O-CB 3.38Å; K57-E60 WeakPolarHBondContact O-CG 3.24Å; K57-E60 PolarHBondContact O-N 2.84Å; K57-E60 VanDerWaalsContact O-N 3.11Å
58	K	97.9	Very high	98	Very high	91 Å²	91	69 Å²	69	40%	0.396	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.6	173.1	-64.2	171.6	72.1	94.6	0	113.6	Q54 F55 M56 S63 W64	Q54-K58 WeakPolarHBondContact O-CG 3.19Å; Q54-K58 PolarHBondContact O-N 2.86Å; Q54-K58 VanDerWaalsContact O-N 3.15Å; F55-K58 HydrophobicContact CD1-CD 4.08Å; F55-K58 HydrophobicContact CE1-CD 4.23Å; F55-K58 HydrophobicContact CG-CD 4.29Å; F55-K58 WeakPolarHBondContact O-CB 3.37Å; F55-K58 PolarHBondContact O-N 2.84Å; M56-K58 VanDerWaalsContact C-N 3.32Å; M56-K58 PolarHBondContact O-N 2.96Å; K58-S63 PolarHBondContact O-OG 3.3Å; K58-W64 HydrophobicContact CB-CB 4.35Å; K58-W64 HydrophobicContact CB-CG 4.09Å; K58-W64 VanDerWaalsContact CE-NE1 3.35Å
59	C	98.1	Very high	97.7	Very high	28 Å²	28	69.8 Å²	69.8	19%	0.189	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-11.2	175.9	-61.3	0	0	0	0	112.8	F55 M56 K57 D61 G62 W64	F55-C59 PolarHBondContact O-N 2.88Å; F55-C59 PolarHBondContact O-SG 2.94Å; M56-C59 WeakPolarHBondContact O-CA 3.34Å; M56-C59 VanDerWaalsContact O-CB 3.27Å; M56-C59 WeakPolarHBondContact O-CB 3.34Å; M56-C59 PolarHBondContact O-N 2.8Å; K57-C59 PolarHBondContact O-N 2.93Å; C59-D61 VanDerWaalsContact C-N 3.31Å; C59-D61 PolarHBondContact O-N 3.38Å; C59-G62 PolarHBondContact O-N 3.32Å; C59-G62 VanDerWaalsContact O-N 3.07Å; C59-W64 WeakPolarHBondContact CA-O 3.38Å; C59-W64 WeakPolarHBondContact CB-O 3.43Å; C59-W64 PolarHBondContact SG-O 3.48Å
60	E	98.1	Very high	97.4	Very high	154 Å²	154	68.8 Å²	68.8	72%	0.72	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-34.2	-175.8	-69.5	174.4	-178	0	0	112.8	K57 G62	K57-E60 WeakPolarHBondContact O-CB 3.38Å; K57-E60 WeakPolarHBondContact O-CG 3.24Å; K57-E60 PolarHBondContact O-N 2.84Å; K57-E60 VanDerWaalsContact O-N 3.11Å; E60-G62 VanDerWaalsContact C-N 3.29Å
61	D	97	Very high	96.9	Very high	124 Å²	124	67.7 Å²	67.7	66%	0.663	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.4	176.5	69.1	6.8	0	0	0	113.5	C59 S63	C59-D61 VanDerWaalsContact C-N 3.31Å; C59-D61 PolarHBondContact O-N 3.38Å; D61-S63 VanDerWaalsContact C-N 3.26Å; D61-S63 PolarHBondContact O-N 2.88Å; D61-S63 WeakPolarHBondContact OD1-CB 3.49Å; D61-S63 PolarHBondContact OD1-N 2.85Å; D61-S63 PolarHBondContact OD1-OG 3.47Å; D61-S63 PolarHBondContact OD2-OG 2.81Å
62	G	96.8	Very high	96.2	Very high	61 Å²	61	70.9 Å²	70.9	63%	0.629	36%	0.357	S	S	*	.	S	Bend	trans	75.5	1.8	-178.5	0	0	0	0	0	115.6	C59 E60	C59-G62 PolarHBondContact O-N 3.32Å; C59-G62 VanDerWaalsContact O-N 3.07Å; E60-G62 VanDerWaalsContact C-N 3.29Å
63	S	97.3	Very high	94.9	Very high	46 Å²	46	73.1 Å²	73.1	32%	0.322	37%	0.37	S	S	.	.	S	Bend	trans	-69.5	-35	176.9	66.1	0	0	0	0	112.2	K58 D61	K58-S63 PolarHBondContact O-OG 3.3Å; D61-S63 VanDerWaalsContact C-N 3.26Å; D61-S63 PolarHBondContact O-N 2.88Å; D61-S63 WeakPolarHBondContact OD1-CB 3.49Å; D61-S63 PolarHBondContact OD1-N 2.85Å; D61-S63 PolarHBondContact OD1-OG 3.47Å; D61-S63 PolarHBondContact OD2-OG 2.81Å
64	W	98.6	Very high	93.3	Very high	11 Å²	11	70.2 Å²	70.2	4%	0.042	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	148.6	172.2	-67.7	80.4	0	0	0	111.7	F55 K58 C59 F117 Y118 N119 R124 V126	F55-W64 HydrophobicContact CD1-CE3 4.33Å; F55-W64 HydrophobicContact CE1-CD2 4.47Å; F55-W64 HydrophobicContact CE1-CE3 4.13Å; F55-W64 HydrophobicContact CE1-CH2 4.28Å; F55-W64 HydrophobicContact CE1-CZ3 4.02Å; K58-W64 HydrophobicContact CB-CB 4.35Å; K58-W64 HydrophobicContact CB-CG 4.09Å; K58-W64 VanDerWaalsContact CE-NE1 3.35Å; C59-W64 WeakPolarHBondContact CA-O 3.38Å; C59-W64 WeakPolarHBondContact CB-O 3.43Å; C59-W64 PolarHBondContact SG-O 3.48Å; W64-F117 HydrophobicContact CE3-CB 3.77Å; W64-F117 HydrophobicContact CZ3-CB 4.27Å; W64-Y118 CarbonylContact C-O 3.59Å; W64-Y118 WeakPolarHBondContact CA-O 3.14Å; W64-N119 HydrophobicContact CD2-CB 3.82Å; W64-N119 HydrophobicContact CE3-CB 3.86Å; W64-N119 HydrophobicContact CG-CB 4.49Å; W64-N119 HydrophobicContact CH2-CB 3.89Å; W64-N119 HydrophobicContact CZ2-CB 3.81Å; W64-N119 HydrophobicContact CZ3-CB 3.91Å; W64-R124 HydrophobicContact CH2-CG 4.24Å; W64-V126 HydrophobicContact CH2-CG2 3.8Å; W64-V126 HydrophobicContact CZ3-CB 4.27Å; W64-V126 HydrophobicContact CZ3-CG2 3.89Å
65	K	98.2	Very high	91.5	Very high	144 Å²	144	69.3 Å²	69.3	63%	0.626	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.7	173.8	-178.8	175.6	179.1	179.6	0	110.6	F117 Y118	K65-F117 CarbonylContact O-C 3.52Å; K65-F117 WeakPolarHBondContact O-CA 3.26Å; K65-Y118 PolarHBondContact N-O 3.01Å; K65-Y118 PolarHBondContact O-N 2.94Å
66	R	98.4	Very high	89.7	Confident	54 Å²	54	77.7 Å²	77.7	20%	0.204	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	136.9	167.8	-168.6	-171.7	66.7	84.2	1.5	110.7	D36 G38 M56 V115 M116 F117	D36-R66 IonicContact OD1-NH1 2.8Å; D36-R66 IonicContact OD2-CZ 3.71Å; D36-R66 VanDerWaalsContact OD2-CZ 3.31Å; D36-R66 IonicContact OD2-NH1 2.87Å; D36-R66 PolarHBondContact OD2-NH1 3.29Å; D36-R66 IonicContact OD2-NH2 3.31Å; D36-R66 PolarHBondContact OD2-NH2 3.03Å; G38-R66 PolarHBondContact O-NH1 2.99Å; M56-R66 HydrophobicContact SD-CB 4.26Å; R66-V115 HydrophobicContact CG-CG2 3.81Å; R66-M116 WeakPolarHBondContact CA-O 3.41Å; R66-F117 HydrophobicContact CB-CD1 3.89Å; R66-F117 HydrophobicContact CB-CE1 3.73Å; R66-F117 HydrophobicContact CG-CD1 4.22Å; R66-F117 HydrophobicContact CG-CE1 3.81Å; R66-F117 HydrophobicContact CG-CZ 4.21Å
67	L	96.6	Very high	87.9	Confident	37 Å²	37	77.5 Å²	77.5	19%	0.194	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133	172.1	-55.7	-173.1	0	0	0	110.8	M116 M125 M157	L67-M116 HydrophobicContact CB-CB 4.24Å; L67-M116 HydrophobicContact CD1-CB 4.2Å; L67-M116 HydrophobicContact CG-CB 4.39Å; L67-M116 PolarHBondContact N-O 3.17Å; L67-M125 HydrophobicContact CD1-CE 3.62Å; L67-M125 HydrophobicContact CD1-SD 3.72Å; L67-M125 HydrophobicContact CG-SD 4.49Å; L67-M157 HydrophobicContact CD1-CE 3.94Å
68	S	95.1	Very high	86.1	Confident	52 Å²	52	73 Å²	73	36%	0.364	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-71.9	149.8	167.7	-68.9	0	0	0	0	111.1	D36 Y70	D36-S68 WeakPolarHBondContact OD1-CA 3.45Å; D36-S68 WeakPolarHBondContact OD2-CA 3.43Å; D36-S68 VanDerWaalsContact OD2-CB 3.26Å; D36-S68 WeakPolarHBondContact OD2-CB 2.84Å; D36-S68 PolarHBondContact OD2-OG 2.77Å; S68-Y70 VanDerWaalsContact CB-OH 3.27Å; S68-Y70 WeakPolarHBondContact CB-OH 3.31Å
69	S	93.4	Very high	84.4	Confident	17 Å²	17	74.5 Å²	74.5	12%	0.119	38%	0.381	C	S	.	.			trans	-134.7	127.8	179.4	-175.3	0	0	0	0	110.1	D36 Y37 R104 Y114	D36-S69 CarbonylContact C-O 3.58Å; D36-S69 PolarHBondContact OD1-N 3.39Å; Y37-S69 PolarHBondContact N-O 2.83Å; S69-R104 VanDerWaalsContact CB-NH2 3.27Å; S69-R104 PolarHBondContact OG-NE 3.05Å; S69-R104 PolarHBondContact OG-NH2 3.45Å; S69-R104 VanDerWaalsContact OG-NH2 3.14Å; S69-Y114 PolarHBondContact OG-OH 3.38Å; S69-Y114 VanDerWaalsContact OG-OH 3.12Å
70	Y	91.6	Very high	82.9	Confident	68 Å²	68	76.8 Å²	76.8	27%	0.267	39%	0.391	S	S	.	.			trans	-121.8	149.2	-173.3	-52	-72.2	0	0	0	110.7	H34 K35 D36 S68 Q72 P74	H34-Y70 HydrophobicContact CB-CD1 3.67Å; H34-Y70 HydrophobicContact CB-CE1 3.91Å; H34-Y70 HydrophobicContact CB-CG 4.41Å; K35-Y70 WeakPolarHBondContact O-CD1 3.3Å; D36-Y70 HydrophobicContact CB-CE1 4.2Å; S68-Y70 VanDerWaalsContact CB-OH 3.27Å; S68-Y70 WeakPolarHBondContact CB-OH 3.31Å; Y70-Q72 VanDerWaalsContact C-N 3.27Å; Y70-Q72 WeakPolarHBondContact CB-O 3.42Å; Y70-Q72 PolarHBondContact O-N 2.83Å; Y70-P74 HydrophobicContact CD2-CG 3.85Å; Y70-P74 HydrophobicContact CE2-CG 3.9Å
71	R	88.1	Confident	81.5	Confident	73 Å²	73	72.3 Å²	72.3	28%	0.275	37%	0.369	S	S	.	.	S	Bend	trans	-64.2	-34.8	173.2	-179.6	173.6	-78.7	-171.8	-0.3	112.2	Y37 Q100 Q101 R104 F106	Y37-R71 HydrophobicContact CD2-CB 4.4Å; Y37-R71 HydrophobicContact CE2-CB 3.78Å; R71-Q100 VanDerWaalsContact CD-OE1 3.32Å; R71-Q100 HydrophobicContact CG-CB 3.95Å; R71-Q100 HydrophobicContact CG-CG 3.77Å; R71-Q100 CarbonylContact O-C 3.55Å; R71-Q100 VanDerWaalsContact O-CA 3.31Å; R71-Q100 WeakPolarHBondContact O-CA 3.47Å; R71-Q101 PolarHBondContact O-N 3.32Å; R71-R104 HydrophobicContact CB-CB 4.35Å; R71-R104 PolarHBondContact NE-O 3.5Å; R71-F106 PolarHBondContact NH2-O 2.84Å
72	Q	83.3	Confident	79.9	Confident	78 Å²	78	68.3 Å²	68.3	36%	0.364	35%	0.347	S	S	.	.	S	Bend	trans	-125.2	139	173.7	-67.5	-176.8	-33.7	0	0	108.7	Y70 S97 A99	Y70-Q72 VanDerWaalsContact C-N 3.27Å; Y70-Q72 WeakPolarHBondContact CB-O 3.42Å; Y70-Q72 PolarHBondContact O-N 2.83Å; Q72-S97 PolarHBondContact NE2-O 3.2Å; Q72-A99 WeakPolarHBondContact CG-O 3.47Å; Q72-A99 PolarHBondContact NE2-O 3.01Å
73	N	71	Confident	78.4	Confident	63 Å²	63	70.1 Å²	70.1	34%	0.337	35%	0.345	S	S	.	.			trans	-60.2	139.5	176.3	-71.8	-20.5	0	0	0	109.6	T75 L78 Q101	N73-T75 PolarHBondContact O-N 3.26Å; N73-L78 HydrophobicContact CB-CB 4.37Å; N73-L78 HydrophobicContact CB-CD1 4.03Å; N73-Q101 PolarHBondContact ND2-NE2 3.23Å; N73-Q101 VanDerWaalsContact ND2-NE2 3.17Å; N73-Q101 PolarHBondContact OD1-NE2 2.89Å; N73-Q101 VanDerWaalsContact OD1-NE2 3.13Å
74	P	66	Low	77	Confident	38 Å²	38	74.6 Å²	74.6	25%	0.247	36%	0.355	C	S	.	.			trans	-53.1	136.6	173.3	-25.3	33.8	0	0	0	110.3	Y70 R76 V77 L78	Y70-P74 HydrophobicContact CD2-CG 3.85Å; Y70-P74 HydrophobicContact CE2-CG 3.9Å; P74-R76 PolarHBondContact O-N 3.49Å; P74-V77 PolarHBondContact O-N 2.99Å; P74-L78 PolarHBondContact O-N 3.15Å; P74-L78 VanDerWaalsContact O-N 3.17Å
75	T	60.5	Low	75.8	Confident	80 Å²	80	74.5 Å²	74.5	49%	0.491	36%	0.355	S	S	.	.	H	α-helix	trans	-49.4	-33.6	-171.8	-49.5	0	0	0	0	113.4	N73 K79	N73-T75 PolarHBondContact O-N 3.26Å; T75-K79 HydrophobicContact CG2-CD 4.1Å; T75-K79 WeakPolarHBondContact O-CB 3.12Å; T75-K79 VanDerWaalsContact O-CG 3.24Å; T75-K79 WeakPolarHBondContact O-CG 3.27Å; T75-K79 PolarHBondContact O-N 3.38Å
76	R	60.7	Low	74.6	Confident	199 Å²	199	68.8 Å²	68.8	75%	0.751	33%	0.332	S	S	*	.	H	α-helix	trans	-69.4	-46	178.4	-171.1	177.2	178.6	177.8	1.1	113.4	P74 L78 K79 D80	P74-R76 PolarHBondContact O-N 3.49Å; R76-L78 VanDerWaalsContact C-N 3.31Å; R76-L78 PolarHBondContact O-N 3.43Å; R76-K79 PolarHBondContact O-N 2.96Å; R76-D80 PolarHBondContact O-N 3.09Å
77	V	61.3	Low	73.1	Confident	66 Å²	66	67.3 Å²	67.3	40%	0.4	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-40.2	179.3	178.8	0	0	0	0	110.2	P74 F81	P74-V77 PolarHBondContact O-N 2.99Å; V77-F81 WeakPolarHBondContact O-CB 3.37Å; V77-F81 PolarHBondContact O-N 3.37Å; V77-F81 VanDerWaalsContact O-N 3.13Å
78	L	60.6	Low	71.8	Confident	50 Å²	50	69.4 Å²	69.4	26%	0.262	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-50	175.9	-162.6	89.1	0	0	0	111.1	N73 P74 R76 D80 F81 Q82	N73-L78 HydrophobicContact CB-CB 4.37Å; N73-L78 HydrophobicContact CB-CD1 4.03Å; P74-L78 PolarHBondContact O-N 3.15Å; P74-L78 VanDerWaalsContact O-N 3.17Å; R76-L78 VanDerWaalsContact C-N 3.31Å; R76-L78 PolarHBondContact O-N 3.43Å; L78-D80 PolarHBondContact O-N 3.21Å; L78-F81 PolarHBondContact O-N 3.2Å; L78-Q82 VanDerWaalsContact CD2-NE2 3.31Å; L78-Q82 HydrophobicContact CG-CG 4.26Å; L78-Q82 VanDerWaalsContact O-CB 3.26Å; L78-Q82 WeakPolarHBondContact O-CB 3.42Å; L78-Q82 WeakPolarHBondContact O-CG 3.37Å; L78-Q82 PolarHBondContact O-N 3.17Å; L78-Q82 PolarHBondContact O-OE1 3.2Å
79	K	61	Low	70.6	Confident	122 Å²	122	75.4 Å²	75.4	53%	0.53	36%	0.359	S	S	.	.	H	α-helix	trans	-62.5	-42.5	-179.8	-77.2	178.7	178.6	-174.6	0	112.8	T75 R76 F81 Q82 T83	T75-K79 HydrophobicContact CG2-CD 4.1Å; T75-K79 WeakPolarHBondContact O-CB 3.12Å; T75-K79 VanDerWaalsContact O-CG 3.24Å; T75-K79 WeakPolarHBondContact O-CG 3.27Å; T75-K79 PolarHBondContact O-N 3.38Å; R76-K79 PolarHBondContact O-N 2.96Å; K79-F81 VanDerWaalsContact C-N 3.35Å; K79-F81 PolarHBondContact O-N 2.81Å; K79-Q82 PolarHBondContact O-N 2.99Å; K79-T83 WeakPolarHBondContact O-CB 3.48Å; K79-T83 WeakPolarHBondContact O-CG2 3.34Å; K79-T83 PolarHBondContact O-N 2.94Å; K79-T83 PolarHBondContact O-OG1 3.43Å
80	D	66.7	Low	69.4	Low	76 Å²	76	80.8 Å²	80.8	41%	0.406	38%	0.38	S	S	.	.	H	α-helix	trans	-65.3	-38.6	178.4	-76.9	-6.7	0	0	0	111.8	R76 L78 T83 R84	R76-D80 PolarHBondContact O-N 3.09Å; L78-D80 PolarHBondContact O-N 3.21Å; D80-T83 PolarHBondContact O-OG1 3.18Å; D80-R84 WeakPolarHBondContact O-CB 3.35Å; D80-R84 WeakPolarHBondContact O-CD 3.26Å; D80-R84 VanDerWaalsContact O-CG 3.27Å; D80-R84 WeakPolarHBondContact O-CG 3.49Å; D80-R84 PolarHBondContact O-N 2.8Å
81	F	69.9	Low	68.1	Low	60 Å²	60	80.2 Å²	80.2	26%	0.263	38%	0.381	S	S	.	.	H	α-helix	trans	-71	-45.6	175.7	-173.1	-88.5	0	0	0	111.9	V77 L78 K79 T83 R84 F85 V86 V164 L223 L229	V77-F81 WeakPolarHBondContact O-CB 3.37Å; V77-F81 PolarHBondContact O-N 3.37Å; V77-F81 VanDerWaalsContact O-N 3.13Å; L78-F81 PolarHBondContact O-N 3.2Å; K79-F81 VanDerWaalsContact C-N 3.35Å; K79-F81 PolarHBondContact O-N 2.81Å; F81-T83 PolarHBondContact O-N 2.85Å; F81-R84 PolarHBondContact O-N 2.97Å; F81-F85 AromaticContact CD2-CD2 3.77Å; F81-F85 HydrophobicContact CD2-CD2 3.77Å; F81-F85 HydrophobicContact CD2-CE2 4.42Å; F81-F85 HydrophobicContact CE1-CB 4.34Å; F81-F85 HydrophobicContact CE2-CB 4.45Å; F81-F85 HydrophobicContact CE2-CD2 4.02Å; F81-F85 HydrophobicContact CE2-CG 4.47Å; F81-F85 HydrophobicContact CG-CD2 4.21Å; F81-F85 HydrophobicContact CZ-CB 4.26Å; F81-F85 WeakPolarHBondContact O-CB 3.3Å; F81-F85 PolarHBondContact O-N 3.38Å; F81-V86 HydrophobicContact CD1-CG2 3.63Å; F81-V86 HydrophobicContact CE1-CG2 3.48Å; F81-V86 VanDerWaalsContact CE1-CG2 3.48Å; F81-V164 HydrophobicContact CD2-CG1 3.69Å; F81-V164 HydrophobicContact CE2-CG1 3.41Å; F81-V164 VanDerWaalsContact CE2-CG1 3.41Å; F81-L223 HydrophobicContact CE2-CD1 4Å; F81-L223 HydrophobicContact CZ-CD1 4.18Å; F81-L229 HydrophobicContact CZ-CD1 4.26Å
82	Q	64	Low	67.4	Low	40 Å²	40	83 Å²	83	19%	0.187	40%	0.395	C	S	.	.	H	α-helix	trans	-60.6	-46.8	-179.6	-75.6	172.2	-31	0	0	112.1	L78 K79 R84 V86 M91	L78-Q82 VanDerWaalsContact CD2-NE2 3.31Å; L78-Q82 HydrophobicContact CG-CG 4.26Å; L78-Q82 VanDerWaalsContact O-CB 3.26Å; L78-Q82 WeakPolarHBondContact O-CB 3.42Å; L78-Q82 WeakPolarHBondContact O-CG 3.37Å; L78-Q82 PolarHBondContact O-N 3.17Å; L78-Q82 PolarHBondContact O-OE1 3.2Å; K79-Q82 PolarHBondContact O-N 2.99Å; Q82-R84 VanDerWaalsContact C-N 3.29Å; Q82-R84 PolarHBondContact O-N 2.85Å; Q82-V86 PolarHBondContact O-N 2.88Å; Q82-M91 HydrophobicContact CB-SD 4.49Å; Q82-M91 HydrophobicContact CG-CE 3.71Å; Q82-M91 HydrophobicContact CG-SD 3.72Å; Q82-M91 PolarHBondContact NE2-SD 3.25Å
83	T	63.6	Low	66.7	Low	98 Å²	98	87.6 Å²	87.6	60%	0.601	42%	0.416	S	S	*	.	H	α-helix	trans	-65.3	-33	-178.1	49.9	0	0	0	0	112.8	K79 D80 F81	K79-T83 WeakPolarHBondContact O-CB 3.48Å; K79-T83 WeakPolarHBondContact O-CG2 3.34Å; K79-T83 PolarHBondContact O-N 2.94Å; K79-T83 PolarHBondContact O-OG1 3.43Å; D80-T83 PolarHBondContact O-OG1 3.18Å; F81-T83 PolarHBondContact O-N 2.85Å
84	R	68.4	Low	66.9	Low	141 Å²	141	91 Å²	91	53%	0.532	43%	0.43	S	S	.	.	H	α-helix	trans	-90.1	-42.8	-175.7	-66.3	179.3	-174.2	-165	1.1	113.1	D80 F81 Q82	D80-R84 WeakPolarHBondContact O-CB 3.35Å; D80-R84 WeakPolarHBondContact O-CD 3.26Å; D80-R84 VanDerWaalsContact O-CG 3.27Å; D80-R84 WeakPolarHBondContact O-CG 3.49Å; D80-R84 PolarHBondContact O-N 2.8Å; F81-R84 PolarHBondContact O-N 2.97Å; Q82-R84 VanDerWaalsContact C-N 3.29Å; Q82-R84 PolarHBondContact O-N 2.85Å
85	F	74.4	Confident	67.2	Low	9 Å²	9	95 Å²	95	4%	0.039	45%	0.446	C	S	.	.	H	α-helix	trans	-117.4	-23.9	-163.4	-59.1	-69.1	0	0	0	114.9	F81 V164 L223 D224 P225 L229	F81-F85 AromaticContact CD2-CD2 3.77Å; F81-F85 HydrophobicContact CD2-CD2 3.77Å; F81-F85 HydrophobicContact CD2-CE2 4.42Å; F81-F85 HydrophobicContact CE1-CB 4.34Å; F81-F85 HydrophobicContact CE2-CB 4.45Å; F81-F85 HydrophobicContact CE2-CD2 4.02Å; F81-F85 HydrophobicContact CE2-CG 4.47Å; F81-F85 HydrophobicContact CG-CD2 4.21Å; F81-F85 HydrophobicContact CZ-CB 4.26Å; F81-F85 WeakPolarHBondContact O-CB 3.3Å; F81-F85 PolarHBondContact O-N 3.38Å; F85-V164 HydrophobicContact CD2-CG1 4.34Å; F85-V164 HydrophobicContact CE2-CB 4.29Å; F85-V164 HydrophobicContact CE2-CG1 4.01Å; F85-V164 HydrophobicContact CE2-CG2 4.3Å; F85-V164 HydrophobicContact CZ-CB 4.49Å; F85-V164 HydrophobicContact CZ-CG1 4.46Å; F85-L223 HydrophobicContact CB-CD1 4.15Å; F85-L223 HydrophobicContact CD1-CB 3.79Å; F85-L223 HydrophobicContact CD1-CD1 3.72Å; F85-L223 HydrophobicContact CD1-CG 4.41Å; F85-L223 HydrophobicContact CD2-CD1 4.29Å; F85-L223 HydrophobicContact CE1-CB 3.44Å; F85-L223 VanDerWaalsContact CE1-CB 3.44Å; F85-L223 HydrophobicContact CE1-CD1 4.15Å; F85-L223 HydrophobicContact CE1-CG 4.46Å; F85-L223 HydrophobicContact CG-CD1 3.79Å; F85-L223 HydrophobicContact CZ-CB 4.02Å; F85-D224 WeakPolarHBondContact CE1-O 3.45Å; F85-P225 HydrophobicContact CZ-CB 4.44Å; F85-L229 HydrophobicContact CB-CD1 4.15Å; F85-L229 HydrophobicContact CB-CG 4.31Å; F85-L229 VanDerWaalsContact O-CB 3.22Å; F85-L229 WeakPolarHBondContact O-CB 3.22Å; F85-L229 WeakPolarHBondContact O-CG 3.46Å; F85-L229 PolarHBondContact O-N 3.44Å
86	V	71.5	Confident	67.8	Low	23 Å²	23	94 Å²	94	14%	0.139	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-100.4	135.1	-171.2	-167.8	0	0	0	0	111.9	F81 Q82 P88 F90 M91	F81-V86 HydrophobicContact CD1-CG2 3.63Å; F81-V86 HydrophobicContact CE1-CG2 3.48Å; F81-V86 VanDerWaalsContact CE1-CG2 3.48Å; Q82-V86 PolarHBondContact O-N 2.88Å; V86-P88 WeakPolarHBondContact O-CD 3.46Å; V86-F90 HydrophobicContact CG1-CB 4.38Å; V86-M91 HydrophobicContact CB-CE 3.59Å; V86-M91 HydrophobicContact CG1-CE 3.19Å; V86-M91 HydrophobicContact CG1-CG 4.35Å; V86-M91 HydrophobicContact CG2-CE 3.86Å
87	D	66.6	Low	68.5	Low	24 Å²	24	88 Å²	88	13%	0.128	43%	0.425	C	S	.	.			trans	-61.9	126	171.2	-172.3	-35.8	0	0	0	110.4	R89 F90	D87-R89 PolarHBondContact O-N 3.15Å; D87-R89 VanDerWaalsContact OD1-CB 3.32Å; D87-R89 WeakPolarHBondContact OD1-CB 3.38Å; D87-R89 VanDerWaalsContact OD1-CG 3.28Å; D87-R89 WeakPolarHBondContact OD1-CG 3.35Å; D87-R89 PolarHBondContact OD1-N 3.2Å; D87-R89 IonicContact OD1-NE 2.88Å; D87-R89 PolarHBondContact OD1-NE 2.95Å; D87-R89 IonicContact OD2-CZ 3.66Å; D87-R89 IonicContact OD2-NE 2.69Å; D87-R89 PolarHBondContact OD2-NE 2.87Å; D87-R89 IonicContact OD2-NH2 3.19Å; D87-R89 PolarHBondContact OD2-NH2 2.78Å; D87-F90 HydrophobicContact CB-CD2 3.76Å; D87-F90 HydrophobicContact CB-CE2 3.98Å; D87-F90 PolarHBondContact O-N 2.9Å
88	P	69.3	Low	69.5	Low	81 Å²	81	91.2 Å²	91.2	53%	0.526	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-52.6	-25.1	177	-27.3	34.8	0	0	0	114.7	V86 F90 M91	V86-P88 WeakPolarHBondContact O-CD 3.46Å; P88-F90 PolarHBondContact O-N 3.29Å; P88-M91 WeakPolarHBondContact O-CB 3.42Å; P88-M91 PolarHBondContact O-N 3.49Å
89	R	71.6	Confident	70.7	Confident	178 Å²	178	91.1 Å²	91.1	67%	0.672	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-63.2	-25.9	177.5	-65.6	-179.9	-65	162.4	4.3	113.1	D87 M91	D87-R89 PolarHBondContact O-N 3.15Å; D87-R89 VanDerWaalsContact OD1-CB 3.32Å; D87-R89 WeakPolarHBondContact OD1-CB 3.38Å; D87-R89 VanDerWaalsContact OD1-CG 3.28Å; D87-R89 WeakPolarHBondContact OD1-CG 3.35Å; D87-R89 PolarHBondContact OD1-N 3.2Å; D87-R89 IonicContact OD1-NE 2.88Å; D87-R89 PolarHBondContact OD1-NE 2.95Å; D87-R89 IonicContact OD2-CZ 3.66Å; D87-R89 IonicContact OD2-NE 2.69Å; D87-R89 PolarHBondContact OD2-NE 2.87Å; D87-R89 IonicContact OD2-NH2 3.19Å; D87-R89 PolarHBondContact OD2-NH2 2.78Å; R89-M91 VanDerWaalsContact C-N 3.33Å
90	F	67.8	Low	72.1	Confident	130 Å²	130	89.3 Å²	89.3	57%	0.57	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-89.7	1.8	175.2	-57.3	-60.7	0	0	0	113	V86 D87 P88	V86-F90 HydrophobicContact CG1-CB 4.38Å; D87-F90 HydrophobicContact CB-CD2 3.76Å; D87-F90 HydrophobicContact CB-CE2 3.98Å; D87-F90 PolarHBondContact O-N 2.9Å; P88-F90 PolarHBondContact O-N 3.29Å
91	M	64.6	Low	73.3	Confident	55 Å²	55	89.2 Å²	89.2	27%	0.271	43%	0.43	S	S	.	.			trans	-104.7	66.7	-174.6	-69.3	-68.3	149.3	0	0	112	Q82 V86 P88 R89 E93 M96	Q82-M91 HydrophobicContact CB-SD 4.49Å; Q82-M91 HydrophobicContact CG-CE 3.71Å; Q82-M91 HydrophobicContact CG-SD 3.72Å; Q82-M91 PolarHBondContact NE2-SD 3.25Å; V86-M91 HydrophobicContact CB-CE 3.59Å; V86-M91 HydrophobicContact CG1-CE 3.19Å; V86-M91 HydrophobicContact CG1-CG 4.35Å; V86-M91 HydrophobicContact CG2-CE 3.86Å; P88-M91 WeakPolarHBondContact O-CB 3.42Å; P88-M91 PolarHBondContact O-N 3.49Å; R89-M91 VanDerWaalsContact C-N 3.33Å; M91-E93 PolarHBondContact O-N 2.87Å; M91-M96 HydrophobicContact CE-CE 4.23Å; M91-M96 HydrophobicContact CE-SD 4.49Å; M91-M96 HydrophobicContact SD-CE 4.17Å; M91-M96 HydrophobicContact SD-CG 4.11Å; M91-M96 HydrophobicContact SD-SD 4.22Å
92	K	72.4	Confident	74.5	Confident	132 Å²	132	92.1 Å²	92.1	57%	0.574	44%	0.443	S	S	*	.			trans	-81.3	108.9	168.6	-62.3	-172.2	-171.6	173.7	0	109.3	E94 Q95 M96	K92-E94 VanDerWaalsContact C-N 3.28Å; K92-E94 PolarHBondContact O-N 2.81Å; K92-Q95 HydrophobicContact CB-CB 4.27Å; K92-Q95 HydrophobicContact CB-CG 4.12Å; K92-Q95 PolarHBondContact O-N 2.8Å; K92-M96 WeakPolarHBondContact O-CG 3.46Å; K92-M96 PolarHBondContact O-N 2.91Å
93	E	69.9	Low	76.1	Confident	175 Å²	175	90.5 Å²	90.5	82%	0.818	44%	0.436	S	S	*	.	H	α-helix	trans	-52.9	-41.5	-172.1	-170.2	167.5	-161.7	0	0	113.4	M91 Q95 M96 S97	M91-E93 PolarHBondContact O-N 2.87Å; E93-Q95 VanDerWaalsContact C-N 3.34Å; E93-Q95 PolarHBondContact O-N 2.84Å; E93-M96 PolarHBondContact O-N 2.76Å; E93-S97 PolarHBondContact O-N 3.14Å
94	E	73.4	Confident	77.7	Confident	135 Å²	135	86.2 Å²	86.2	63%	0.631	41%	0.409	S	S	*	.	H	α-helix	trans	-63.2	-38.9	177.8	-160.4	-159.8	149	0	0	112.5	K92 S97 K98	K92-E94 VanDerWaalsContact C-N 3.28Å; K92-E94 PolarHBondContact O-N 2.81Å; E94-S97 PolarHBondContact O-OG 3.21Å; E94-K98 IonicContact OE1-NZ 3.29Å; E94-K98 PolarHBondContact OE1-NZ 3.36Å
95	Q	74.1	Confident	79	Confident	121 Å²	121	82.1 Å²	82.1	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-72.5	-39.1	178.4	-64.1	-176	-42.7	0	0	111	K92 E93 S97 K98 A99	K92-Q95 HydrophobicContact CB-CB 4.27Å; K92-Q95 HydrophobicContact CB-CG 4.12Å; K92-Q95 PolarHBondContact O-N 2.8Å; E93-Q95 VanDerWaalsContact C-N 3.34Å; E93-Q95 PolarHBondContact O-N 2.84Å; Q95-S97 VanDerWaalsContact C-N 3.3Å; Q95-S97 PolarHBondContact O-N 2.67Å; Q95-K98 PolarHBondContact O-N 3.46Å; Q95-A99 PolarHBondContact O-N 2.95Å; Q95-A99 VanDerWaalsContact O-N 3.13Å
96	M	72.8	Confident	80.1	Confident	58 Å²	58	84.5 Å²	84.5	29%	0.286	41%	0.412	S	S	.	.	H	α-helix	trans	-67.1	-29.3	179.6	-66.7	-55.9	-63.2	0	0	113	M91 K92 E93 K98 A99	M91-M96 HydrophobicContact CE-CE 4.23Å; M91-M96 HydrophobicContact CE-SD 4.49Å; M91-M96 HydrophobicContact SD-CE 4.17Å; M91-M96 HydrophobicContact SD-CG 4.11Å; M91-M96 HydrophobicContact SD-SD 4.22Å; K92-M96 WeakPolarHBondContact O-CG 3.46Å; K92-M96 PolarHBondContact O-N 2.91Å; E93-M96 PolarHBondContact O-N 2.76Å; M96-K98 VanDerWaalsContact C-N 3.27Å; M96-K98 PolarHBondContact O-N 3.37Å; M96-A99 PolarHBondContact O-N 2.97Å
97	S	75.8	Confident	81.3	Confident	74 Å²	74	90 Å²	90	52%	0.517	44%	0.436	S	S	.	.	H	α-helix	trans	-68.9	-25.3	175.6	70.7	0	0	0	0	113.5	Q72 E93 E94 Q95	Q72-S97 PolarHBondContact NE2-O 3.2Å; E93-S97 PolarHBondContact O-N 3.14Å; E94-S97 PolarHBondContact O-OG 3.21Å; Q95-S97 VanDerWaalsContact C-N 3.3Å; Q95-S97 PolarHBondContact O-N 2.67Å
98	K	82.2	Confident	82.7	Confident	134 Å²	134	92.8 Å²	92.8	58%	0.583	45%	0.448	S	S	*	.	H	α-helix	trans	-93.8	-16.7	177.7	-61.9	173.8	-170	163.6	0	112.7	E94 Q95 M96	E94-K98 IonicContact OE1-NZ 3.29Å; E94-K98 PolarHBondContact OE1-NZ 3.36Å; Q95-K98 PolarHBondContact O-N 3.46Å; M96-K98 VanDerWaalsContact C-N 3.27Å; M96-K98 PolarHBondContact O-N 3.37Å
99	A	84.8	Confident	84	Confident	47 Å²	47	89.7 Å²	89.7	39%	0.388	43%	0.432	S	S	.	.			trans	-63.4	145.3	-179.8	0	0	0	0	0	111.7	Q72 Q95 M96	Q72-A99 WeakPolarHBondContact CG-O 3.47Å; Q72-A99 PolarHBondContact NE2-O 3.01Å; Q95-A99 PolarHBondContact O-N 2.95Å; Q95-A99 VanDerWaalsContact O-N 3.13Å; M96-A99 PolarHBondContact O-N 2.97Å
100	Q	90.3	Very high	85.3	Confident	84 Å²	84	83.3 Å²	83.3	39%	0.393	41%	0.411	S	S	.	.			trans	-139.3	154	-179.2	-59.7	-179	10.4	0	0	109.8	R71 F102	R71-Q100 VanDerWaalsContact CD-OE1 3.32Å; R71-Q100 HydrophobicContact CG-CB 3.95Å; R71-Q100 HydrophobicContact CG-CG 3.77Å; R71-Q100 CarbonylContact O-C 3.55Å; R71-Q100 VanDerWaalsContact O-CA 3.31Å; R71-Q100 WeakPolarHBondContact O-CA 3.47Å; Q100-F102 PolarHBondContact O-N 2.8Å
101	Q	91.1	Very high	86.8	Confident	74 Å²	74	77.1 Å²	77.1	35%	0.346	38%	0.383	S	S	.	.			trans	-61.7	125.9	169.4	-72.9	-61.1	-34	0	0	109.5	R71 N73 T103 R104 S105	R71-Q101 PolarHBondContact O-N 3.32Å; N73-Q101 PolarHBondContact ND2-NE2 3.23Å; N73-Q101 VanDerWaalsContact ND2-NE2 3.17Å; N73-Q101 PolarHBondContact OD1-NE2 2.89Å; N73-Q101 VanDerWaalsContact OD1-NE2 3.13Å; Q101-T103 VanDerWaalsContact C-N 3.27Å; Q101-T103 PolarHBondContact O-N 3.41Å; Q101-R104 HydrophobicContact CB-CB 4.27Å; Q101-R104 HydrophobicContact CB-CG 4.5Å; Q101-R104 CarbonylContact O-C 3.57Å; Q101-R104 WeakPolarHBondContact O-CA 3.27Å; Q101-R104 PolarHBondContact O-N 2.92Å; Q101-S105 PolarHBondContact O-N 3.47Å; Q101-S105 PolarHBondContact O-OG 2.92Å; Q101-S105 VanDerWaalsContact O-OG 3.06Å
102	F	96.8	Very high	88.4	Confident	121 Å²	121	74.8 Å²	74.8	53%	0.531	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-52	-44.1	-174.1	174.7	-134.8	0	0	0	112.9	Q100 R104 S105 T149	Q100-F102 PolarHBondContact O-N 2.8Å; F102-R104 PolarHBondContact O-N 2.84Å; F102-S105 PolarHBondContact O-N 2.78Å; F102-S105 PolarHBondContact O-OG 3.31Å; F102-T149 HydrophobicContact CD1-CG2 3.59Å; F102-T149 HydrophobicContact CE1-CG2 3.5Å; F102-T149 WeakPolarHBondContact CE1-OG1 3.21Å
103	T	97.6	Very high	89.7	Confident	7 Å²	7	69 Å²	69	4%	0.043	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-73	-5.6	179.3	56.7	0	0	0	0	114.1	Q101 F112 Y114 T149 V153	Q101-T103 VanDerWaalsContact C-N 3.27Å; Q101-T103 PolarHBondContact O-N 3.41Å; T103-F112 HydrophobicContact CG2-CD2 4.42Å; T103-F112 HydrophobicContact CG2-CG 4.4Å; T103-F112 WeakPolarHBondContact O-CB 3.2Å; T103-Y114 PolarHBondContact OG1-OH 3.03Å; T103-T149 HydrophobicContact CG2-CG2 3.52Å; T103-V153 HydrophobicContact CG2-CG1 4.31Å
104	R	96.8	Very high	91	Very high	7 Å²	7	61.2 Å²	61.2	3%	0.026	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-120.8	14.6	177.9	-61.6	-59	-173.3	-179.8	3.3	113.2	Y37 S69 R71 Q101 F102 F106 F112 Y114	Y37-R104 PolarHBondContact O-NH1 3.21Å; Y37-R104 VanDerWaalsContact O-NH1 3.09Å; Y37-R104 PolarHBondContact O-NH2 2.94Å; S69-R104 VanDerWaalsContact CB-NH2 3.27Å; S69-R104 PolarHBondContact OG-NE 3.05Å; S69-R104 PolarHBondContact OG-NH2 3.45Å; S69-R104 VanDerWaalsContact OG-NH2 3.14Å; R71-R104 HydrophobicContact CB-CB 4.35Å; R71-R104 PolarHBondContact NE-O 3.5Å; Q101-R104 HydrophobicContact CB-CB 4.27Å; Q101-R104 HydrophobicContact CB-CG 4.5Å; Q101-R104 CarbonylContact O-C 3.57Å; Q101-R104 WeakPolarHBondContact O-CA 3.27Å; Q101-R104 PolarHBondContact O-N 2.92Å; F102-R104 PolarHBondContact O-N 2.84Å; R104-F106 VanDerWaalsContact C-N 3.34Å; R104-F112 PolarHBondContact NH1-O 3.39Å; R104-Y114 VanDerWaalsContact NE-CE1 3.28Å; R104-Y114 PolarHBondContact NE-OH 3.49Å; R104-Y114 PolarHBondContact NH2-O 2.72Å
105	S	96.1	Very high	92.3	Very high	55 Å²	55	54.8 Å²	54.8	39%	0.385	28%	0.28	S	S	.	.	S	Bend	trans	-83.8	-6.5	178.4	-59.4	0	0	0	0	114.2	Q101 F102	Q101-S105 PolarHBondContact O-N 3.47Å; Q101-S105 PolarHBondContact O-OG 2.92Å; Q101-S105 VanDerWaalsContact O-OG 3.06Å; F102-S105 PolarHBondContact O-N 2.78Å; F102-S105 PolarHBondContact O-OG 3.31Å
106	F	96.9	Very high	93.4	Very high	59 Å²	59	49.4 Å²	49.4	26%	0.259	26%	0.255	S	S	.	.	S	Bend	trans	-92.4	157.7	178.8	-64.9	-99.1	0	0	0	111.2	R71 R104 F112 H134 L135	R71-F106 PolarHBondContact NH2-O 2.84Å; R104-F106 VanDerWaalsContact C-N 3.34Å; F106-F112 AromaticContact CD2-CD2 3.91Å; F106-F112 HydrophobicContact CD2-CD2 3.91Å; F106-F112 HydrophobicContact CD2-CE2 4.14Å; F106-F112 AromaticContact CE2-CD2 3.88Å; F106-F112 HydrophobicContact CE2-CD2 3.88Å; F106-F112 AromaticContact CE2-CE2 3.61Å; F106-F112 HydrophobicContact CE2-CE2 3.61Å; F106-F112 HydrophobicContact CZ-CE2 4.32Å; F106-H134 HydrophobicContact CD1-CB 4.1Å; F106-H134 HydrophobicContact CE1-CB 3.95Å; F106-L135 HydrophobicContact CE1-CD2 4.4Å; F106-L135 HydrophobicContact CE2-CD2 4.49Å; F106-L135 HydrophobicContact CZ-CD2 4.16Å
107	E	96.6	Very high	94.7	Very high	140 Å²	140	46.7 Å²	46.7	65%	0.654	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-69.4	159.3	165.2	-59.7	-176.7	173.2	0	0	110.6	G109 L110	E107-G109 PolarHBondContact O-N 3.38Å; E107-L110 HydrophobicContact CB-CD1 3.92Å; E107-L110 HydrophobicContact CB-CG 4.33Å; E107-L110 PolarHBondContact O-N 3.32Å; E107-L110 VanDerWaalsContact O-N 3.12Å
108	E	96.8	Very high	95.8	Very high	81 Å²	81	44.3 Å²	44.3	38%	0.379	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	129	-176.5	-169.8	174.3	115.6	0	0	111.4	K35 N41 P42 L110	K35-E108 IonicContact NZ-OE2 2.87Å; N41-E108 VanDerWaalsContact CB-CD 3.49Å; N41-E108 HydrophobicContact CB-CG 4.18Å; N41-E108 WeakPolarHBondContact CB-OE2 3.18Å; N41-E108 VanDerWaalsContact CG-CG 3.47Å; N41-E108 WeakPolarHBondContact OD1-CG 3.21Å; N41-E108 PolarHBondContact OD1-OE1 2.89Å; P42-E108 VanDerWaalsContact CD-OE1 3.22Å; P42-E108 WeakPolarHBondContact CD-OE1 3.46Å; E108-L110 PolarHBondContact O-N 3.13Å; E108-L110 VanDerWaalsContact O-N 3.11Å
109	G	96.8	Very high	96.5	Very high	17 Å²	17	38.2 Å²	38.2	18%	0.175	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	-13.5	-179.8	0	0	0	0	0	115.9	S43 E107 E113 G132	S43-G109 VanDerWaalsContact OG-CA 3.32Å; S43-G109 WeakPolarHBondContact OG-CA 3.27Å; S43-G109 PolarHBondContact OG-N 2.88Å; E107-G109 PolarHBondContact O-N 3.38Å; G109-E113 PolarHBondContact N-OE1 3.48Å; G109-G132 WeakPolarHBondContact O-CA 3.19Å
110	L	98.3	Very high	97.1	Very high	44 Å²	44	43.7 Å²	43.7	23%	0.23	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-28.9	-176.8	-59.5	-172.7	0	0	0	112.7	E107 E108 G132 L133 H134	E107-L110 HydrophobicContact CB-CD1 3.92Å; E107-L110 HydrophobicContact CB-CG 4.33Å; E107-L110 PolarHBondContact O-N 3.32Å; E107-L110 VanDerWaalsContact O-N 3.12Å; E108-L110 PolarHBondContact O-N 3.13Å; E108-L110 VanDerWaalsContact O-N 3.11Å; L110-G132 CarbonylContact O-C 3.3Å; L110-G132 VanDerWaalsContact O-C 3.3Å; L110-G132 WeakPolarHBondContact O-CA 3.31Å; L110-L133 PolarHBondContact O-N 3.2Å; L110-H134 VanDerWaalsContact CD1-CE1 3.46Å; L110-H134 WeakPolarHBondContact CD1-CE1 3.47Å; L110-H134 VanDerWaalsContact O-CB 3.24Å; L110-H134 WeakPolarHBondContact O-CB 3.23Å; L110-H134 PolarHBondContact O-N 3.47Å
111	G	98.4	Very high	97.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-118.9	-121.9	-177.3	0	0	0	0	0	114.2	G132 L135	G111-G132 WeakPolarHBondContact O-CA 3.4Å; G111-G132 PolarHBondContact O-N 2.69Å; G111-L135 VanDerWaalsContact O-CD1 3.31Å; G111-L135 WeakPolarHBondContact O-CD1 3.49Å
112	F	98.7	Very high	97.8	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	103.5	-176.3	-54.3	-96.1	0	0	0	111.5	T103 R104 F106 Y114 F129 L135 A146 T149	T103-F112 HydrophobicContact CG2-CD2 4.42Å; T103-F112 HydrophobicContact CG2-CG 4.4Å; T103-F112 WeakPolarHBondContact O-CB 3.2Å; R104-F112 PolarHBondContact NH1-O 3.39Å; F106-F112 AromaticContact CD2-CD2 3.91Å; F106-F112 HydrophobicContact CD2-CD2 3.91Å; F106-F112 HydrophobicContact CD2-CE2 4.14Å; F106-F112 AromaticContact CE2-CD2 3.88Å; F106-F112 HydrophobicContact CE2-CD2 3.88Å; F106-F112 AromaticContact CE2-CE2 3.61Å; F106-F112 HydrophobicContact CE2-CE2 3.61Å; F106-F112 HydrophobicContact CZ-CE2 4.32Å; F112-Y114 HydrophobicContact CB-CD1 3.96Å; F112-Y114 HydrophobicContact CB-CE1 4.27Å; F112-F129 HydrophobicContact CB-CE2 4.18Å; F112-F129 AromaticContact CD1-CE2 3.71Å; F112-F129 HydrophobicContact CD1-CE2 3.71Å; F112-F129 AromaticContact CD1-CZ 3.95Å; F112-F129 HydrophobicContact CD1-CZ 3.95Å; F112-F129 HydrophobicContact CE1-CZ 4.47Å; F112-F129 HydrophobicContact CG-CE2 4.37Å; F112-L135 HydrophobicContact CD1-CD1 3.6Å; F112-L135 HydrophobicContact CD2-CD1 4.27Å; F112-L135 HydrophobicContact CD2-CD2 4.03Å; F112-L135 HydrophobicContact CE1-CD1 3.71Å; F112-L135 HydrophobicContact CE1-CD2 4.16Å; F112-L135 HydrophobicContact CE2-CD1 4.36Å; F112-L135 HydrophobicContact CE2-CD2 3.59Å; F112-L135 HydrophobicContact CG-CD1 3.89Å; F112-L135 HydrophobicContact CG-CD2 4.48Å; F112-L135 HydrophobicContact CZ-CD1 4.1Å; F112-L135 HydrophobicContact CZ-CD2 3.66Å; F112-A146 HydrophobicContact CE1-CB 3.96Å; F112-A146 HydrophobicContact CZ-CB 4.01Å; F112-T149 HydrophobicContact CE1-CG2 4.14Å; F112-T149 HydrophobicContact CZ-CG2 3.94Å
113	E	98.8	Very high	97.8	Very high	11 Å²	11	44.3 Å²	44.3	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	110.9	169.3	-68.7	-59.4	147.3	0	0	108.8	N41 W44 L48 G109 Q130	N41-E113 PolarHBondContact ND2-OE2 2.87Å; W44-E113 PolarHBondContact NE1-OE2 2.8Å; L48-E113 HydrophobicContact CD2-CB 4.41Å; G109-E113 PolarHBondContact N-OE1 3.48Å; E113-Q130 HydrophobicContact CB-CB 4.1Å; E113-Q130 PolarHBondContact N-O 2.84Å; E113-Q130 VanDerWaalsContact N-O 3.16Å; E113-Q130 PolarHBondContact O-N 2.98Å
114	Y	98.8	Very high	97.9	Very high	10 Å²	10	47 Å²	47	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162	-177.3	73	-85.6	0	0	0	114.3	S69 T103 R104 F112 M116 L128 I150	S69-Y114 PolarHBondContact OG-OH 3.38Å; S69-Y114 VanDerWaalsContact OG-OH 3.12Å; T103-Y114 PolarHBondContact OG1-OH 3.03Å; R104-Y114 VanDerWaalsContact NE-CE1 3.28Å; R104-Y114 PolarHBondContact NE-OH 3.49Å; R104-Y114 PolarHBondContact NH2-O 2.72Å; F112-Y114 HydrophobicContact CB-CD1 3.96Å; F112-Y114 HydrophobicContact CB-CE1 4.27Å; Y114-M116 HydrophobicContact CD2-CE 4.05Å; Y114-M116 HydrophobicContact CD2-CG 4.21Å; Y114-M116 HydrophobicContact CE2-CE 3.8Å; Y114-M116 HydrophobicContact CE2-CG 4.4Å; Y114-L128 WeakPolarHBondContact CA-O 3.34Å; Y114-L128 VanDerWaalsContact CB-O 3.3Å; Y114-L128 WeakPolarHBondContact CB-O 3.29Å; Y114-I150 HydrophobicContact CD1-CD1 4.14Å; Y114-I150 HydrophobicContact CD2-CD1 4.5Å; Y114-I150 HydrophobicContact CG-CD1 4.02Å
115	V	98.8	Very high	98	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	143.1	173.8	55	0	0	0	0	109.4	G38 W44 F52 R66 F117 C127 L128	G38-V115 WeakPolarHBondContact O-CG2 3.34Å; W44-V115 HydrophobicContact CH2-CB 3.94Å; W44-V115 HydrophobicContact CH2-CG1 3.79Å; W44-V115 HydrophobicContact CZ3-CG1 4.37Å; F52-V115 HydrophobicContact CD2-CG1 4.06Å; F52-V115 HydrophobicContact CD2-CG2 4.13Å; F52-V115 HydrophobicContact CE2-CG2 4.15Å; R66-V115 HydrophobicContact CG-CG2 3.81Å; V115-F117 HydrophobicContact CB-CE2 4.45Å; V115-F117 HydrophobicContact CG1-CE2 3.89Å; V115-F117 HydrophobicContact CG2-CE2 3.81Å; V115-F117 HydrophobicContact CG2-CZ 3.98Å; V115-C127 CarbonylContact O-C 3.59Å; V115-C127 WeakPolarHBondContact O-CA 3.42Å; V115-L128 HydrophobicContact CG1-CB 3.86Å; V115-L128 HydrophobicContact CG1-CD1 3.91Å; V115-L128 HydrophobicContact CG1-CG 4.1Å; V115-L128 PolarHBondContact N-O 3.29Å; V115-L128 VanDerWaalsContact N-O 3.09Å; V115-L128 PolarHBondContact O-N 2.91Å
116	M	98.8	Very high	98.1	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.1	-178.2	-62	-176.2	177.1	0	0	111.8	R66 L67 Y114 M125 V126 C127 V153 M157	R66-M116 WeakPolarHBondContact CA-O 3.41Å; L67-M116 HydrophobicContact CB-CB 4.24Å; L67-M116 HydrophobicContact CD1-CB 4.2Å; L67-M116 HydrophobicContact CG-CB 4.39Å; L67-M116 PolarHBondContact N-O 3.17Å; Y114-M116 HydrophobicContact CD2-CE 4.05Å; Y114-M116 HydrophobicContact CD2-CG 4.21Å; Y114-M116 HydrophobicContact CE2-CE 3.8Å; Y114-M116 HydrophobicContact CE2-CG 4.4Å; M116-M125 HydrophobicContact CB-SD 3.98Å; M116-V126 CarbonylContact C-O 3.53Å; M116-V126 VanDerWaalsContact CA-O 3.31Å; M116-V126 WeakPolarHBondContact CA-O 3.07Å; M116-C127 HydrophobicContact CE-CB 4.28Å; M116-C127 HydrophobicContact CG-CB 3.86Å; M116-V153 HydrophobicContact CE-CB 4.33Å; M116-V153 HydrophobicContact CE-CG1 3.73Å; M116-V153 HydrophobicContact CE-CG2 3.99Å; M116-M157 HydrophobicContact CE-CG 4.36Å; M116-M157 HydrophobicContact SD-CB 3.83Å; M116-M157 HydrophobicContact SD-CG 3.8Å
117	F	98.8	Very high	98.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.5	175.2	-61.2	-91.5	0	0	0	109.2	F52 F55 M56 W64 K65 R66 V115 M125 V126 L128	F52-F117 HydrophobicContact CD2-CE2 4.47Å; F52-F117 AromaticContact CD2-CZ 3.84Å; F52-F117 HydrophobicContact CD2-CZ 3.84Å; F52-F117 HydrophobicContact CE2-CZ 4.2Å; F55-F117 HydrophobicContact CB-CD1 3.79Å; F55-F117 HydrophobicContact CB-CD2 3.69Å; F55-F117 HydrophobicContact CB-CE1 3.59Å; F55-F117 HydrophobicContact CB-CE2 3.48Å; F55-F117 VanDerWaalsContact CB-CE2 3.48Å; F55-F117 HydrophobicContact CB-CG 3.83Å; F55-F117 HydrophobicContact CB-CZ 3.43Å; F55-F117 VanDerWaalsContact CB-CZ 3.43Å; F55-F117 HydrophobicContact CD1-CB 3.69Å; F55-F117 HydrophobicContact CD1-CD1 4.2Å; F55-F117 AromaticContact CD1-CD2 3.74Å; F55-F117 HydrophobicContact CD1-CD2 3.74Å; F55-F117 HydrophobicContact CD1-CE2 4.41Å; F55-F117 AromaticContact CD1-CG 3.62Å; F55-F117 HydrophobicContact CD1-CG 3.62Å; F55-F117 HydrophobicContact CE1-CB 4.25Å; F55-F117 HydrophobicContact CG-CD1 4.43Å; F55-F117 AromaticContact CG-CD2 3.8Å; F55-F117 HydrophobicContact CG-CD2 3.8Å; F55-F117 HydrophobicContact CG-CE2 4.01Å; F55-F117 HydrophobicContact CG-CG 4.02Å; F55-F117 HydrophobicContact CG-CZ 4.41Å; M56-F117 HydrophobicContact CG-CE1 4.38Å; M56-F117 HydrophobicContact SD-CE1 3.96Å; M56-F117 HydrophobicContact SD-CZ 4.47Å; W64-F117 HydrophobicContact CE3-CB 3.77Å; W64-F117 HydrophobicContact CZ3-CB 4.27Å; K65-F117 CarbonylContact O-C 3.52Å; K65-F117 WeakPolarHBondContact O-CA 3.26Å; R66-F117 HydrophobicContact CB-CD1 3.89Å; R66-F117 HydrophobicContact CB-CE1 3.73Å; R66-F117 HydrophobicContact CG-CD1 4.22Å; R66-F117 HydrophobicContact CG-CE1 3.81Å; R66-F117 HydrophobicContact CG-CZ 4.21Å; V115-F117 HydrophobicContact CB-CE2 4.45Å; V115-F117 HydrophobicContact CG1-CE2 3.89Å; V115-F117 HydrophobicContact CG2-CE2 3.81Å; V115-F117 HydrophobicContact CG2-CZ 3.98Å; F117-M125 WeakPolarHBondContact O-CA 3.39Å; F117-M125 VanDerWaalsContact O-SD 3.36Å; F117-V126 PolarHBondContact N-O 3.39Å; F117-V126 PolarHBondContact O-N 2.86Å; F117-L128 HydrophobicContact CD2-CD1 4.47Å; F117-L128 HydrophobicContact CD2-CG 4.45Å; F117-L128 HydrophobicContact CE2-CD1 3.77Å; F117-L128 HydrophobicContact CE2-CG 4.17Å
118	Y	98.6	Very high	98.3	Very high	24 Å²	24	34.6 Å²	34.6	9%	0.094	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.2	-177.9	-178.4	-121.7	0	0	0	110.7	W64 K65 K120 R124 M125 A161	W64-Y118 CarbonylContact C-O 3.59Å; W64-Y118 WeakPolarHBondContact CA-O 3.14Å; K65-Y118 PolarHBondContact N-O 3.01Å; K65-Y118 PolarHBondContact O-N 2.94Å; Y118-K120 HydrophobicContact CD1-CB 4.37Å; Y118-K120 HydrophobicContact CE1-CB 3.72Å; Y118-K120 HydrophobicContact CE1-CG 4.09Å; Y118-R124 WeakPolarHBondContact CD2-O 3.37Å; Y118-M125 HydrophobicContact CD2-CE 3.51Å; Y118-M125 HydrophobicContact CD2-SD 4.2Å; Y118-M125 HydrophobicContact CE2-CE 4.4Å; Y118-M125 HydrophobicContact CG-CE 3.9Å; Y118-M125 HydrophobicContact CG-SD 4.42Å; Y118-A161 HydrophobicContact CD1-CB 4.42Å; Y118-A161 HydrophobicContact CD2-CB 4.46Å; Y118-A161 HydrophobicContact CE1-CB 3.82Å; Y118-A161 HydrophobicContact CE2-CB 3.9Å
119	N	98.6	Very high	98.4	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.032	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.9	165.7	-176.8	-35.7	0	0	0	108.7	W64 V121 E122 R123 R124	W64-N119 HydrophobicContact CD2-CB 3.82Å; W64-N119 HydrophobicContact CE3-CB 3.86Å; W64-N119 HydrophobicContact CG-CB 4.49Å; W64-N119 HydrophobicContact CH2-CB 3.89Å; W64-N119 HydrophobicContact CZ2-CB 3.81Å; W64-N119 HydrophobicContact CZ3-CB 3.91Å; N119-V121 PolarHBondContact OD1-N 3.48Å; N119-E122 HydrophobicContact CB-CB 4.12Å; N119-E122 PolarHBondContact ND2-OE1 2.81Å; N119-E122 PolarHBondContact OD1-N 3.46Å; N119-R123 WeakPolarHBondContact O-CA 3.44Å; N119-R123 PolarHBondContact O-N 3.3Å; N119-R124 PolarHBondContact N-O 2.74Å; N119-R124 PolarHBondContact O-N 3.24Å
120	K	97.1	Very high	98.5	Very high	163 Å²	163	30.7 Å²	30.7	71%	0.709	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-37.3	-175.9	-174.1	-179.1	178.2	-174	0	112.8	Y118 R123	Y118-K120 HydrophobicContact CD1-CB 4.37Å; Y118-K120 HydrophobicContact CE1-CB 3.72Å; Y118-K120 HydrophobicContact CE1-CG 4.09Å; K120-R123 PolarHBondContact O-N 3.05Å
121	V	97.2	Very high	98.5	Very high	137 Å²	137	28.7 Å²	28.7	83%	0.83	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-44	-177.5	178	0	0	0	0	109.9	N119 R123	N119-V121 PolarHBondContact OD1-N 3.48Å; V121-R123 PolarHBondContact O-N 2.58Å
122	E	97.8	Very high	98.5	Very high	96 Å²	96	28.8 Å²	28.8	45%	0.449	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.7	177	-66.4	176.3	-153.9	0	0	113.1	N119 R124	N119-E122 HydrophobicContact CB-CB 4.12Å; N119-E122 PolarHBondContact ND2-OE1 2.81Å; N119-E122 PolarHBondContact OD1-N 3.46Å; E122-R124 HydrophobicContact CB-CB 3.71Å; E122-R124 PolarHBondContact O-N 2.95Å; E122-R124 WeakPolarHBondContact OE2-CD 3.48Å; E122-R124 IonicContact OE2-NH1 3.31Å; E122-R124 PolarHBondContact OE2-NH1 3.33Å
123	R	97.9	Very high	98.5	Very high	58 Å²	58	33.5 Å²	33.5	22%	0.219	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	45.6	-170.6	-57.7	176.7	74.2	-148.2	9.9	111.2	N119 K120 V121 E162 Q189 I190 T193	N119-R123 WeakPolarHBondContact O-CA 3.44Å; N119-R123 PolarHBondContact O-N 3.3Å; K120-R123 PolarHBondContact O-N 3.05Å; V121-R123 PolarHBondContact O-N 2.58Å; R123-E162 IonicContact CZ-OE1 3.74Å; R123-E162 IonicContact CZ-OE2 3.58Å; R123-E162 IonicContact NE-OE1 2.98Å; R123-E162 PolarHBondContact NE-OE1 3.04Å; R123-E162 IonicContact NE-OE2 3.49Å; R123-E162 PolarHBondContact NE-OE2 2.88Å; R123-E162 IonicContact NH2-OE1 3.62Å; R123-E162 IonicContact NH2-OE2 2.85Å; R123-E162 PolarHBondContact NH2-OE2 3.47Å; R123-Q189 WeakPolarHBondContact O-CA 3.24Å; R123-I190 HydrophobicContact CB-CB 4.25Å; R123-I190 HydrophobicContact CB-CG1 4.43Å; R123-I190 PolarHBondContact O-N 2.88Å; R123-T193 PolarHBondContact NH1-OG1 3.04Å; R123-T193 PolarHBondContact NH2-OG1 3.33Å
124	R	98.6	Very high	98.5	Very high	64 Å²	64	38.4 Å²	38.4	24%	0.242	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.1	-168.3	-175.2	-177.4	175	-160.3	0.8	110.7	W64 Y118 N119 E122 N187 C188 Q189	W64-R124 HydrophobicContact CH2-CG 4.24Å; Y118-R124 WeakPolarHBondContact CD2-O 3.37Å; N119-R124 PolarHBondContact N-O 2.74Å; N119-R124 PolarHBondContact O-N 3.24Å; E122-R124 HydrophobicContact CB-CB 3.71Å; E122-R124 PolarHBondContact O-N 2.95Å; E122-R124 WeakPolarHBondContact OE2-CD 3.48Å; E122-R124 IonicContact OE2-NH1 3.31Å; E122-R124 PolarHBondContact OE2-NH1 3.33Å; R124-N187 PolarHBondContact NE-OD1 3.02Å; R124-N187 PolarHBondContact NH2-ND2 3.39Å; R124-C188 CarbonylContact C-O 3.59Å; R124-C188 WeakPolarHBondContact CA-O 3.35Å; R124-C188 VanDerWaalsContact CG-O 3.32Å; R124-C188 WeakPolarHBondContact CG-O 3.39Å; R124-Q189 HydrophobicContact CB-CB 4.39Å; R124-Q189 HydrophobicContact CG-CB 4.37Å
125	M	98.8	Very high	98.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134	174.3	-167.5	70.9	67.1	0	0	109.3	L67 M116 F117 Y118 T154 M157 C158 C188	L67-M125 HydrophobicContact CD1-CE 3.62Å; L67-M125 HydrophobicContact CD1-SD 3.72Å; L67-M125 HydrophobicContact CG-SD 4.49Å; M116-M125 HydrophobicContact CB-SD 3.98Å; F117-M125 WeakPolarHBondContact O-CA 3.39Å; F117-M125 VanDerWaalsContact O-SD 3.36Å; Y118-M125 HydrophobicContact CD2-CE 3.51Å; Y118-M125 HydrophobicContact CD2-SD 4.2Å; Y118-M125 HydrophobicContact CE2-CE 4.4Å; Y118-M125 HydrophobicContact CG-CE 3.9Å; Y118-M125 HydrophobicContact CG-SD 4.42Å; M125-T154 HydrophobicContact CB-CG2 4.39Å; M125-T154 HydrophobicContact CG-CG2 3.96Å; M125-M157 HydrophobicContact CE-CB 4.14Å; M125-C158 HydrophobicContact CB-CB 3.79Å; M125-C158 HydrophobicContact CE-CB 4.41Å; M125-C188 PolarHBondContact N-O 3.43Å; M125-C188 PolarHBondContact O-N 3Å
126	V	98.9	Very high	98.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.2	167.9	178.3	0	0	0	0	108.5	F55 W64 M116 F117 L128 V185 V186	F55-V126 HydrophobicContact CE1-CB 3.77Å; F55-V126 HydrophobicContact CE1-CG1 3.93Å; F55-V126 HydrophobicContact CE1-CG2 3.99Å; F55-V126 HydrophobicContact CE2-CG1 4.18Å; F55-V126 HydrophobicContact CZ-CB 3.87Å; F55-V126 HydrophobicContact CZ-CG1 3.55Å; F55-V126 HydrophobicContact CZ-CG2 4Å; W64-V126 HydrophobicContact CH2-CG2 3.8Å; W64-V126 HydrophobicContact CZ3-CB 4.27Å; W64-V126 HydrophobicContact CZ3-CG2 3.89Å; M116-V126 CarbonylContact C-O 3.53Å; M116-V126 VanDerWaalsContact CA-O 3.31Å; M116-V126 WeakPolarHBondContact CA-O 3.07Å; F117-V126 PolarHBondContact N-O 3.39Å; F117-V126 PolarHBondContact O-N 2.86Å; V126-L128 HydrophobicContact CG1-CD2 3.99Å; V126-V185 HydrophobicContact CG1-CG1 3.64Å; V126-V186 CarbonylContact C-O 3.54Å; V126-V186 WeakPolarHBondContact CA-O 3.42Å
127	C	98.9	Very high	98.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.7	171.2	177.4	0	0	0	0	108.8	V115 M116 T154 V186	V115-C127 CarbonylContact O-C 3.59Å; V115-C127 WeakPolarHBondContact O-CA 3.42Å; M116-C127 HydrophobicContact CE-CB 4.28Å; M116-C127 HydrophobicContact CG-CB 3.86Å; C127-T154 HydrophobicContact CB-CG2 3.55Å; C127-T154 VanDerWaalsContact CB-OG1 3.25Å; C127-T154 WeakPolarHBondContact CB-OG1 3.25Å; C127-V186 HydrophobicContact CB-CB 4.06Å; C127-V186 PolarHBondContact N-O 3.06Å; C127-V186 PolarHBondContact O-N 2.85Å
128	L	98.9	Very high	98.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.3	169.8	-46.5	179.4	0	0	0	106.7	L48 L51 F52 F55 Y114 V115 F117 V126 V185	L48-L128 HydrophobicContact CD1-CB 3.54Å; L48-L128 HydrophobicContact CD1-CD1 4.46Å; L51-L128 HydrophobicContact CB-CD1 3.66Å; L51-L128 HydrophobicContact CB-CD2 4.18Å; L51-L128 HydrophobicContact CB-CG 4.47Å; L51-L128 HydrophobicContact CD1-CD2 4.28Å; F52-L128 HydrophobicContact CB-CD1 4.4Å; F55-L128 HydrophobicContact CD2-CD1 4.32Å; F55-L128 HydrophobicContact CD2-CD2 4.12Å; F55-L128 HydrophobicContact CE2-CD2 4.01Å; Y114-L128 WeakPolarHBondContact CA-O 3.34Å; Y114-L128 VanDerWaalsContact CB-O 3.3Å; Y114-L128 WeakPolarHBondContact CB-O 3.29Å; V115-L128 HydrophobicContact CG1-CB 3.86Å; V115-L128 HydrophobicContact CG1-CD1 3.91Å; V115-L128 HydrophobicContact CG1-CG 4.1Å; V115-L128 PolarHBondContact N-O 3.29Å; V115-L128 VanDerWaalsContact N-O 3.09Å; V115-L128 PolarHBondContact O-N 2.91Å; F117-L128 HydrophobicContact CD2-CD1 4.47Å; F117-L128 HydrophobicContact CD2-CG 4.45Å; F117-L128 HydrophobicContact CE2-CD1 3.77Å; F117-L128 HydrophobicContact CE2-CG 4.17Å; V126-L128 HydrophobicContact CG1-CD2 3.99Å; L128-V185 HydrophobicContact CD2-CG1 4.42Å; L128-V185 HydrophobicContact CD2-CG2 4.34Å
129	F	98.9	Very high	98.3	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.3	-172.2	168.3	-127.9	0	0	0	111.1	F112 L135 I150 V183 V184 V186	F112-F129 HydrophobicContact CB-CE2 4.18Å; F112-F129 AromaticContact CD1-CE2 3.71Å; F112-F129 HydrophobicContact CD1-CE2 3.71Å; F112-F129 AromaticContact CD1-CZ 3.95Å; F112-F129 HydrophobicContact CD1-CZ 3.95Å; F112-F129 HydrophobicContact CE1-CZ 4.47Å; F112-F129 HydrophobicContact CG-CE2 4.37Å; F129-L135 HydrophobicContact CE2-CD1 4.11Å; F129-L135 HydrophobicContact CZ-CD1 3.82Å; F129-I150 HydrophobicContact CB-CD1 4.35Å; F129-I150 HydrophobicContact CB-CG1 3.97Å; F129-I150 HydrophobicContact CD1-CB 4.22Å; F129-I150 HydrophobicContact CD1-CG1 3.93Å; F129-I150 HydrophobicContact CD1-CG2 3.84Å; F129-I150 HydrophobicContact CD2-CD1 3.94Å; F129-I150 HydrophobicContact CD2-CG1 4.06Å; F129-I150 HydrophobicContact CE1-CB 4.32Å; F129-I150 HydrophobicContact CE1-CG1 4.45Å; F129-I150 HydrophobicContact CE1-CG2 3.95Å; F129-I150 HydrophobicContact CE2-CD1 4.45Å; F129-I150 HydrophobicContact CG-CB 4.44Å; F129-I150 HydrophobicContact CG-CD1 4.08Å; F129-I150 HydrophobicContact CG-CG1 3.71Å; F129-I150 HydrophobicContact CG-CG2 4.48Å; F129-V183 CarbonylContact O-C 3.46Å; F129-V183 WeakPolarHBondContact O-CA 3.37Å; F129-V184 HydrophobicContact CB-CG2 4.16Å; F129-V184 HydrophobicContact CD1-CG2 3.58Å; F129-V184 HydrophobicContact CE1-CG2 4.45Å; F129-V184 HydrophobicContact CG-CG2 4.3Å; F129-V184 PolarHBondContact N-O 3.46Å; F129-V184 PolarHBondContact O-N 3.09Å; F129-V186 HydrophobicContact CB-CG2 4.38Å
130	Q	98.9	Very high	98.2	Very high	15 Å²	15	54.2 Å²	54.2	7%	0.07	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.1	167.9	179.8	-178.2	-66	0	0	109.2	S43 S45 L48 E113 S182 V183	S43-Q130 PolarHBondContact O-NE2 3.03Å; S45-Q130 PolarHBondContact OG-OE1 2.76Å; L48-Q130 HydrophobicContact CD2-CB 3.74Å; E113-Q130 HydrophobicContact CB-CB 4.1Å; E113-Q130 PolarHBondContact N-O 2.84Å; E113-Q130 VanDerWaalsContact N-O 3.16Å; E113-Q130 PolarHBondContact O-N 2.98Å; Q130-S182 WeakPolarHBondContact CA-O 3.26Å; Q130-V183 HydrophobicContact CB-CG2 4.14Å; Q130-V183 HydrophobicContact CG-CG2 4.23Å
131	S	98.6	Very high	98.3	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.3	176.4	63.2	0	0	0	0	111.6	V142 C181 S182	S131-V142 VanDerWaalsContact CB-CG2 3.49Å; S131-V142 VanDerWaalsContact OG-CG2 3.31Å; S131-V142 WeakPolarHBondContact OG-CG2 3.29Å; S131-C181 WeakPolarHBondContact O-CA 3.48Å; S131-C181 PolarHBondContact O-N 2.97Å; S131-C181 PolarHBondContact OG-N 2.83Å; S131-S182 PolarHBondContact N-O 3.47Å
132	G	98.5	Very high	98.4	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.021	24%	0.24	C	C	.	.			trans	-87.9	171.8	170	0	0	0	0	0	113.3	G109 L110 G111 H134 L135 L180	G109-G132 WeakPolarHBondContact O-CA 3.19Å; L110-G132 CarbonylContact O-C 3.3Å; L110-G132 VanDerWaalsContact O-C 3.3Å; L110-G132 WeakPolarHBondContact O-CA 3.31Å; G111-G132 WeakPolarHBondContact O-CA 3.4Å; G111-G132 PolarHBondContact O-N 2.69Å; G132-H134 VanDerWaalsContact C-N 3.28Å; G132-H134 PolarHBondContact O-N 3.37Å; G132-L135 WeakPolarHBondContact O-CB 3.22Å; G132-L135 PolarHBondContact O-N 2.88Å; G132-L135 VanDerWaalsContact O-N 3.14Å; G132-L180 WeakPolarHBondContact O-CD1 3.47Å
133	L	98	Very high	98.5	Very high	104 Å²	104	45.4 Å²	45.4	55%	0.545	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.3	-31.3	-174.8	-68.3	171.1	0	0	0	113.7	L110 L135 Q136 L180 C181	L110-L133 PolarHBondContact O-N 3.2Å; L133-L135 PolarHBondContact O-N 3.47Å; L133-Q136 PolarHBondContact O-N 3.39Å; L133-L180 HydrophobicContact CD2-CD2 4.04Å; L133-C181 VanDerWaalsContact CD2-SG 3.52Å
134	H	98.7	Very high	98.5	Very high	115 Å²	115	44 Å²	44	53%	0.532	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-78	-0.8	-179.1	-61	-178.7	0	0	0	113.1	F106 L110 G132 Q136	F106-H134 HydrophobicContact CD1-CB 4.1Å; F106-H134 HydrophobicContact CE1-CB 3.95Å; L110-H134 VanDerWaalsContact CD1-CE1 3.46Å; L110-H134 WeakPolarHBondContact CD1-CE1 3.47Å; L110-H134 VanDerWaalsContact O-CB 3.24Å; L110-H134 WeakPolarHBondContact O-CB 3.23Å; L110-H134 PolarHBondContact O-N 3.47Å; G132-H134 VanDerWaalsContact C-N 3.28Å; G132-H134 PolarHBondContact O-N 3.37Å; H134-Q136 VanDerWaalsContact C-N 3.33Å
135	L	98.8	Very high	98.5	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.037	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-94.6	11.6	175.2	-54	-171.2	0	0	0	112.7	F106 G111 F112 F129 G132 L133 V142 H143 A146	F106-L135 HydrophobicContact CE1-CD2 4.4Å; F106-L135 HydrophobicContact CE2-CD2 4.49Å; F106-L135 HydrophobicContact CZ-CD2 4.16Å; G111-L135 VanDerWaalsContact O-CD1 3.31Å; G111-L135 WeakPolarHBondContact O-CD1 3.49Å; F112-L135 HydrophobicContact CD1-CD1 3.6Å; F112-L135 HydrophobicContact CD2-CD1 4.27Å; F112-L135 HydrophobicContact CD2-CD2 4.03Å; F112-L135 HydrophobicContact CE1-CD1 3.71Å; F112-L135 HydrophobicContact CE1-CD2 4.16Å; F112-L135 HydrophobicContact CE2-CD1 4.36Å; F112-L135 HydrophobicContact CE2-CD2 3.59Å; F112-L135 HydrophobicContact CG-CD1 3.89Å; F112-L135 HydrophobicContact CG-CD2 4.48Å; F112-L135 HydrophobicContact CZ-CD1 4.1Å; F112-L135 HydrophobicContact CZ-CD2 3.66Å; F129-L135 HydrophobicContact CE2-CD1 4.11Å; F129-L135 HydrophobicContact CZ-CD1 3.82Å; G132-L135 WeakPolarHBondContact O-CB 3.22Å; G132-L135 PolarHBondContact O-N 2.88Å; G132-L135 VanDerWaalsContact O-N 3.14Å; L133-L135 PolarHBondContact O-N 3.47Å; L135-V142 HydrophobicContact CB-CG1 4.3Å; L135-V142 CarbonylContact O-C 3.59Å; L135-V142 WeakPolarHBondContact O-CA 3.5Å; L135-H143 WeakPolarHBondContact O-CB 3.43Å; L135-H143 PolarHBondContact O-N 2.78Å; L135-A146 HydrophobicContact CB-CB 4.15Å; L135-A146 HydrophobicContact CD1-CB 4.44Å; L135-A146 HydrophobicContact CD2-CB 4.34Å
136	Q	98.6	Very high	98.5	Very high	98 Å²	98	42.8 Å²	42.8	46%	0.458	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-61.4	136.5	177.8	-177	173.2	81.2	0	0	111.6	L133 H134 Y141 L180	L133-Q136 PolarHBondContact O-N 3.39Å; H134-Q136 VanDerWaalsContact C-N 3.33Å; Q136-Y141 WeakPolarHBondContact CA-O 3.47Å; Q136-L180 HydrophobicContact CB-CD1 4.24Å; Q136-L180 HydrophobicContact CB-CD2 3.97Å; Q136-L180 HydrophobicContact CG-CD2 4.34Å
137	G	98.2	Very high	98.5	Very high	29 Å²	29	43 Å²	43	30%	0.299	25%	0.253	S	S	.	.	S	Bend	trans	-107.1	-99.5	165.2	0	0	0	0	0	110.3	Y141	G137-Y141 PolarHBondContact N-O 3.09Å
138	V	96.1	Very high	98.5	Very high	98 Å²	98	44 Å²	44	59%	0.594	26%	0.261	S	S	*	.	S	Bend	trans	-68.1	146.6	166.2	-67.8	0	0	0	0	109.8	G140 Y141	V138-G140 PolarHBondContact O-N 3.11Å; V138-Y141 HydrophobicContact CG2-CD2 3.92Å; V138-Y141 HydrophobicContact CG2-CG 4.29Å; V138-Y141 PolarHBondContact O-N 3.42Å
139	P	98	Very high	98.5	Very high	109 Å²	109	45.3 Å²	45.3	71%	0.708	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	125.3	-176.1	-30.2	36.2	0	0	0	112.9	Y141	P139-Y141 WeakPolarHBondContact O-CD2 3.31Å
140	G	98.1	Very high	98.5	Very high	39 Å²	39	45.3 Å²	45.3	40%	0.402	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-3.8	-179.9	0	0	0	0	0	116.3	V138 L180	V138-G140 PolarHBondContact O-N 3.11Å; G140-L180 WeakPolarHBondContact O-CB 3.3Å; G140-L180 PolarHBondContact O-N 3.31Å
141	Y	98.8	Very high	98.5	Very high	99 Å²	99	44.6 Å²	44.6	39%	0.388	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-130.4	155	-177.9	-57.4	-85.9	0	0	0	112.9	Q136 G137 V138 P139 P177 I178	Q136-Y141 WeakPolarHBondContact CA-O 3.47Å; G137-Y141 PolarHBondContact N-O 3.09Å; V138-Y141 HydrophobicContact CG2-CD2 3.92Å; V138-Y141 HydrophobicContact CG2-CG 4.29Å; V138-Y141 PolarHBondContact O-N 3.42Å; P139-Y141 WeakPolarHBondContact O-CD2 3.31Å; Y141-P177 HydrophobicContact CD1-CB 3.54Å; Y141-P177 HydrophobicContact CD1-CG 3.96Å; Y141-P177 HydrophobicContact CE1-CB 3.87Å; Y141-P177 HydrophobicContact CE1-CG 3.74Å; Y141-P177 HydrophobicContact CG-CB 4.04Å; Y141-I178 WeakPolarHBondContact CA-O 3.32Å; Y141-I178 WeakPolarHBondContact CB-O 3.41Å
142	V	98.8	Very high	98.5	Very high	10 Å²	10	47.2 Å²	47.2	6%	0.061	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-69.1	136.8	178.3	-172.8	0	0	0	0	110.4	S131 L135 A146 I147 I178 L180	S131-V142 VanDerWaalsContact CB-CG2 3.49Å; S131-V142 VanDerWaalsContact OG-CG2 3.31Å; S131-V142 WeakPolarHBondContact OG-CG2 3.29Å; L135-V142 HydrophobicContact CB-CG1 4.3Å; L135-V142 CarbonylContact O-C 3.59Å; L135-V142 WeakPolarHBondContact O-CA 3.5Å; V142-A146 HydrophobicContact CG1-CB 3.99Å; V142-I147 HydrophobicContact CB-CD1 4.33Å; V142-I147 HydrophobicContact CB-CG1 4.18Å; V142-I147 HydrophobicContact CG1-CD1 4.48Å; V142-I147 HydrophobicContact CG1-CG1 3.81Å; V142-I178 HydrophobicContact CB-CB 4.25Å; V142-I178 HydrophobicContact CB-CG2 4.48Å; V142-I178 HydrophobicContact CG2-CB 4.07Å; V142-I178 HydrophobicContact CG2-CG2 3.8Å; V142-I178 PolarHBondContact N-O 2.97Å; V142-L180 HydrophobicContact CG2-CD1 4.29Å
143	H	98.8	Very high	98.5	Very high	103 Å²	103	48.5 Å²	48.5	48%	0.477	29%	0.287	S	S	.	.			trans	-62.4	134.7	177.3	-172.3	-92.2	0	0	0	111.1	L135 G145 A146 I147	L135-H143 WeakPolarHBondContact O-CB 3.43Å; L135-H143 PolarHBondContact O-N 2.78Å; H143-G145 WeakPolarHBondContact ND1-CA 3.26Å; H143-G145 PolarHBondContact ND1-N 3.29Å; H143-G145 PolarHBondContact O-N 3.39Å; H143-A146 HydrophobicContact CB-CB 4.27Å; H143-A146 WeakPolarHBondContact O-CA 3.34Å; H143-A146 WeakPolarHBondContact O-CB 3.46Å; H143-A146 PolarHBondContact O-N 3.12Å; H143-I147 PolarHBondContact O-N 2.91Å
144	G	98.8	Very high	98.5	Very high	27 Å²	27	43.5 Å²	43.5	28%	0.278	26%	0.261	S	S	.	.	H	α-helix	trans	-54.1	-39.2	179.3	0	0	0	0	0	113.1	A146 I147 A148 Y174	G144-A146 VanDerWaalsContact C-N 3.35Å; G144-A146 PolarHBondContact O-N 3.01Å; G144-I147 WeakPolarHBondContact O-CB 3.44Å; G144-I147 PolarHBondContact O-N 3.02Å; G144-A148 PolarHBondContact O-N 2.88Å; G144-Y174 PolarHBondContact O-OH 3.28Å
145	G	98.8	Very high	98.5	Very high	32 Å²	32	38 Å²	38	33%	0.33	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-31.5	173.3	0	0	0	0	0	114.6	H143 T149	H143-G145 WeakPolarHBondContact ND1-CA 3.26Å; H143-G145 PolarHBondContact ND1-N 3.29Å; H143-G145 PolarHBondContact O-N 3.39Å; G145-T149 WeakPolarHBondContact O-CB 3.4Å; G145-T149 PolarHBondContact O-N 3.2Å; G145-T149 PolarHBondContact O-OG1 3.3Å
146	A	98.8	Very high	98.5	Very high	8 Å²	8	38.5 Å²	38.5	7%	0.066	24%	0.242	C	C	.	.	H	α-helix	trans	-72.6	-36.7	173.8	0	0	0	0	0	110.9	F112 L135 V142 H143 G144 T149 I150	F112-A146 HydrophobicContact CE1-CB 3.96Å; F112-A146 HydrophobicContact CZ-CB 4.01Å; L135-A146 HydrophobicContact CB-CB 4.15Å; L135-A146 HydrophobicContact CD1-CB 4.44Å; L135-A146 HydrophobicContact CD2-CB 4.34Å; V142-A146 HydrophobicContact CG1-CB 3.99Å; H143-A146 HydrophobicContact CB-CB 4.27Å; H143-A146 WeakPolarHBondContact O-CA 3.34Å; H143-A146 WeakPolarHBondContact O-CB 3.46Å; H143-A146 PolarHBondContact O-N 3.12Å; G144-A146 VanDerWaalsContact C-N 3.35Å; G144-A146 PolarHBondContact O-N 3.01Å; A146-T149 WeakPolarHBondContact O-CB 3.27Å; A146-T149 PolarHBondContact O-N 3.14Å; A146-I150 PolarHBondContact O-N 2.88Å
147	I	98.9	Very high	98.4	Very high	5 Å²	5	37 Å²	37	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-47.2	171.3	-57.6	174.4	0	0	0	110.2	V142 H143 G144 T149 I150 I151 Y174 I178 I204 T214	V142-I147 HydrophobicContact CB-CD1 4.33Å; V142-I147 HydrophobicContact CB-CG1 4.18Å; V142-I147 HydrophobicContact CG1-CD1 4.48Å; V142-I147 HydrophobicContact CG1-CG1 3.81Å; H143-I147 PolarHBondContact O-N 2.91Å; G144-I147 WeakPolarHBondContact O-CB 3.44Å; G144-I147 PolarHBondContact O-N 3.02Å; I147-T149 VanDerWaalsContact C-N 3.25Å; I147-T149 PolarHBondContact O-N 2.84Å; I147-I150 VanDerWaalsContact O-CG2 3.26Å; I147-I150 WeakPolarHBondContact O-CG2 3.37Å; I147-I150 PolarHBondContact O-N 2.9Å; I147-I151 HydrophobicContact CG2-CD1 4.02Å; I147-I151 WeakPolarHBondContact O-CG1 3.44Å; I147-I151 PolarHBondContact O-N 2.92Å; I147-Y174 HydrophobicContact CB-CE1 3.97Å; I147-Y174 HydrophobicContact CD1-CD1 4.33Å; I147-Y174 HydrophobicContact CD1-CE1 4.24Å; I147-Y174 HydrophobicContact CG2-CD1 4.43Å; I147-Y174 HydrophobicContact CG2-CE1 3.88Å; I147-I178 HydrophobicContact CD1-CB 4.33Å; I147-I178 HydrophobicContact CD1-CD1 3.74Å; I147-I178 HydrophobicContact CD1-CG1 4.03Å; I147-I178 HydrophobicContact CG1-CD1 3.96Å; I147-I178 HydrophobicContact CG2-CD1 4.23Å; I147-I204 HydrophobicContact CG2-CD1 3.66Å; I147-T214 HydrophobicContact CG2-CG2 4.48Å
148	A	98.9	Very high	98.4	Very high	21 Å²	21	35.7 Å²	35.7	17%	0.174	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-39.6	174.6	0	0	0	0	0	112.1	G144 I151 D152 I172	G144-A148 PolarHBondContact O-N 2.88Å; A148-I151 PolarHBondContact O-N 3.13Å; A148-D152 WeakPolarHBondContact O-CB 3.42Å; A148-D152 PolarHBondContact O-N 3.35Å; A148-I172 HydrophobicContact CB-CD1 3.49Å; A148-I172 VanDerWaalsContact CB-CD1 3.49Å
149	T	98.9	Very high	98.5	Very high	28 Å²	28	31 Å²	31	17%	0.172	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-46	177.1	-59.9	0	0	0	0	111.9	F102 T103 F112 G145 A146 I147 I151 D152 V153	F102-T149 HydrophobicContact CD1-CG2 3.59Å; F102-T149 HydrophobicContact CE1-CG2 3.5Å; F102-T149 WeakPolarHBondContact CE1-OG1 3.21Å; T103-T149 HydrophobicContact CG2-CG2 3.52Å; F112-T149 HydrophobicContact CE1-CG2 4.14Å; F112-T149 HydrophobicContact CZ-CG2 3.94Å; G145-T149 WeakPolarHBondContact O-CB 3.4Å; G145-T149 PolarHBondContact O-N 3.2Å; G145-T149 PolarHBondContact O-OG1 3.3Å; A146-T149 WeakPolarHBondContact O-CB 3.27Å; A146-T149 PolarHBondContact O-N 3.14Å; I147-T149 VanDerWaalsContact C-N 3.25Å; I147-T149 PolarHBondContact O-N 2.84Å; T149-I151 VanDerWaalsContact C-N 3.3Å; T149-I151 PolarHBondContact O-N 3.17Å; T149-D152 PolarHBondContact O-N 2.92Å; T149-V153 WeakPolarHBondContact O-CG1 3.45Å; T149-V153 PolarHBondContact O-N 3.29Å
150	I	98.8	Very high	98.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.4	-31	179.5	-160.2	69.8	0	0	0	111.7	Y114 F129 A146 I147 V153 T154 V186 I204	Y114-I150 HydrophobicContact CD1-CD1 4.14Å; Y114-I150 HydrophobicContact CD2-CD1 4.5Å; Y114-I150 HydrophobicContact CG-CD1 4.02Å; F129-I150 HydrophobicContact CB-CD1 4.35Å; F129-I150 HydrophobicContact CB-CG1 3.97Å; F129-I150 HydrophobicContact CD1-CB 4.22Å; F129-I150 HydrophobicContact CD1-CG1 3.93Å; F129-I150 HydrophobicContact CD1-CG2 3.84Å; F129-I150 HydrophobicContact CD2-CD1 3.94Å; F129-I150 HydrophobicContact CD2-CG1 4.06Å; F129-I150 HydrophobicContact CE1-CB 4.32Å; F129-I150 HydrophobicContact CE1-CG1 4.45Å; F129-I150 HydrophobicContact CE1-CG2 3.95Å; F129-I150 HydrophobicContact CE2-CD1 4.45Å; F129-I150 HydrophobicContact CG-CB 4.44Å; F129-I150 HydrophobicContact CG-CD1 4.08Å; F129-I150 HydrophobicContact CG-CG1 3.71Å; F129-I150 HydrophobicContact CG-CG2 4.48Å; A146-I150 PolarHBondContact O-N 2.88Å; I147-I150 VanDerWaalsContact O-CG2 3.26Å; I147-I150 WeakPolarHBondContact O-CG2 3.37Å; I147-I150 PolarHBondContact O-N 2.9Å; I150-V153 HydrophobicContact CD1-CG1 3.93Å; I150-V153 WeakPolarHBondContact O-CG1 3.35Å; I150-T154 VanDerWaalsContact O-CB 3.29Å; I150-T154 WeakPolarHBondContact O-CB 3.33Å; I150-T154 PolarHBondContact O-N 2.99Å; I150-T154 VanDerWaalsContact O-N 3.14Å; I150-T154 PolarHBondContact O-OG1 3.21Å; I150-V186 HydrophobicContact CG1-CG2 4.28Å; I150-V186 HydrophobicContact CG2-CG2 4.2Å; I150-I204 HydrophobicContact CG2-CD1 4.3Å
151	I	98.9	Very high	98	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-66.7	-49.3	172.4	-66.9	169.5	0	0	0	110.5	I147 A148 T149 V153 T154 T155 L170 I172 C202 I204 T214 A216	I147-I151 HydrophobicContact CG2-CD1 4.02Å; I147-I151 WeakPolarHBondContact O-CG1 3.44Å; I147-I151 PolarHBondContact O-N 2.92Å; A148-I151 PolarHBondContact O-N 3.13Å; T149-I151 VanDerWaalsContact C-N 3.3Å; T149-I151 PolarHBondContact O-N 3.17Å; I151-V153 PolarHBondContact O-N 3.15Å; I151-T154 PolarHBondContact O-N 2.77Å; I151-T155 HydrophobicContact CG2-CG2 4.13Å; I151-T155 WeakPolarHBondContact O-CB 3.38Å; I151-T155 WeakPolarHBondContact O-CG2 3.5Å; I151-T155 PolarHBondContact O-N 3.33Å; I151-T155 PolarHBondContact O-OG1 3.41Å; I151-L170 HydrophobicContact CG2-CD1 3.82Å; I151-I172 HydrophobicContact CD1-CD1 4.14Å; I151-I172 HydrophobicContact CD1-CG1 4.4Å; I151-I172 HydrophobicContact CD1-CG2 3.97Å; I151-C202 HydrophobicContact CG2-CB 4.41Å; I151-I204 HydrophobicContact CD1-CD1 3.82Å; I151-I204 HydrophobicContact CD1-CG1 4.39Å; I151-I204 HydrophobicContact CG1-CD1 3.7Å; I151-I204 HydrophobicContact CG1-CG1 4.26Å; I151-T214 HydrophobicContact CD1-CG2 3.67Å; I151-A216 HydrophobicContact CD1-CB 4.22Å; I151-A216 HydrophobicContact CG2-CB 3.88Å
152	D	98.8	Very high	97.8	Very high	57 Å²	57	29.1 Å²	29.1	31%	0.305	17%	0.173	S	C	.	.	H	α-helix	trans	-59.7	-48.4	-178.9	-177.7	70.5	0	0	0	111.2	A148 T149 T154 T155 G156 T167 L170	A148-D152 WeakPolarHBondContact O-CB 3.42Å; A148-D152 PolarHBondContact O-N 3.35Å; T149-D152 PolarHBondContact O-N 2.92Å; D152-T154 VanDerWaalsContact C-N 3.33Å; D152-T154 PolarHBondContact O-N 2.92Å; D152-T155 PolarHBondContact O-OG1 2.81Å; D152-G156 WeakPolarHBondContact O-CA 3.33Å; D152-G156 PolarHBondContact O-N 3.06Å; D152-T167 WeakPolarHBondContact OD1-CG2 3.31Å; D152-T167 PolarHBondContact OD1-OG1 3.36Å; D152-L170 HydrophobicContact CB-CD2 3.91Å
153	V	98.2	Very high	97.4	Very high	28 Å²	28	30 Å²	30	17%	0.17	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-37.7	178.4	71.5	0	0	0	0	111.9	T103 M116 T149 I150 I151 M157	T103-V153 HydrophobicContact CG2-CG1 4.31Å; M116-V153 HydrophobicContact CE-CB 4.33Å; M116-V153 HydrophobicContact CE-CG1 3.73Å; M116-V153 HydrophobicContact CE-CG2 3.99Å; T149-V153 WeakPolarHBondContact O-CG1 3.45Å; T149-V153 PolarHBondContact O-N 3.29Å; I150-V153 HydrophobicContact CD1-CG1 3.93Å; I150-V153 WeakPolarHBondContact O-CG1 3.35Å; I151-V153 PolarHBondContact O-N 3.15Å; V153-M157 HydrophobicContact CG2-CG 4.43Å; V153-M157 VanDerWaalsContact O-CB 3.31Å; V153-M157 WeakPolarHBondContact O-CB 3.45Å; V153-M157 WeakPolarHBondContact O-CG 3.39Å; V153-M157 PolarHBondContact O-N 3.17Å
154	T	98.7	Very high	96.9	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71.7	-48.4	-178.4	-55.1	0	0	0	0	111.4	M125 C127 I150 I151 D152 G156 M157 C158 V186	M125-T154 HydrophobicContact CB-CG2 4.39Å; M125-T154 HydrophobicContact CG-CG2 3.96Å; C127-T154 HydrophobicContact CB-CG2 3.55Å; C127-T154 VanDerWaalsContact CB-OG1 3.25Å; C127-T154 WeakPolarHBondContact CB-OG1 3.25Å; I150-T154 VanDerWaalsContact O-CB 3.29Å; I150-T154 WeakPolarHBondContact O-CB 3.33Å; I150-T154 PolarHBondContact O-N 2.99Å; I150-T154 VanDerWaalsContact O-N 3.14Å; I150-T154 PolarHBondContact O-OG1 3.21Å; I151-T154 PolarHBondContact O-N 2.77Å; D152-T154 VanDerWaalsContact C-N 3.33Å; D152-T154 PolarHBondContact O-N 2.92Å; T154-G156 VanDerWaalsContact C-N 3.34Å; T154-M157 PolarHBondContact O-N 2.95Å; T154-C158 WeakPolarHBondContact O-CB 3.44Å; T154-C158 PolarHBondContact O-N 3.34Å; T154-V186 HydrophobicContact CG2-CB 4.44Å; T154-V186 HydrophobicContact CG2-CG1 3.97Å
155	T	98.7	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.3	-36.1	176.7	57.4	0	0	0	0	111.9	I151 D152 C158 A159 C188 V200 C202 A218 F220	I151-T155 HydrophobicContact CG2-CG2 4.13Å; I151-T155 WeakPolarHBondContact O-CB 3.38Å; I151-T155 WeakPolarHBondContact O-CG2 3.5Å; I151-T155 PolarHBondContact O-N 3.33Å; I151-T155 PolarHBondContact O-OG1 3.41Å; D152-T155 PolarHBondContact O-OG1 2.81Å; T155-C158 WeakPolarHBondContact O-CB 3.38Å; T155-C158 PolarHBondContact O-N 3.11Å; T155-A159 PolarHBondContact O-N 2.79Å; T155-C188 HydrophobicContact CG2-CB 3.86Å; T155-V200 HydrophobicContact CG2-CB 4.48Å; T155-V200 HydrophobicContact CG2-CG1 3.83Å; T155-C202 HydrophobicContact CG2-CB 3.66Å; T155-A218 HydrophobicContact CG2-CB 4.44Å; T155-F220 WeakPolarHBondContact OG1-CE2 3.19Å; T155-F220 WeakPolarHBondContact OG1-CZ 3.42Å
156	G	97.9	Very high	96.4	Very high	17 Å²	17	29.5 Å²	29.5	18%	0.175	17%	0.173	C	C	.	.	H	α-helix	trans	-67	-41.4	175	0	0	0	0	0	112.8	D152 T154 C158 A159 Y160 F220	D152-G156 WeakPolarHBondContact O-CA 3.33Å; D152-G156 PolarHBondContact O-N 3.06Å; T154-G156 VanDerWaalsContact C-N 3.34Å; G156-C158 VanDerWaalsContact C-N 3.31Å; G156-C158 PolarHBondContact O-N 2.69Å; G156-A159 PolarHBondContact O-N 3.4Å; G156-Y160 VanDerWaalsContact O-CB 3.26Å; G156-Y160 WeakPolarHBondContact O-CB 3.26Å; G156-Y160 PolarHBondContact O-N 2.85Å; G156-F220 VanDerWaalsContact N-CZ 3.26Å
157	M	97.6	Very high	96.4	Very high	67 Å²	67	31.9 Å²	31.9	33%	0.33	19%	0.187	S	C	.	.	H	α-helix	trans	-66.9	-33.8	172.7	-73.8	-57.4	-59.5	0	0	112.3	L67 M116 M125 V153 T154 Y160 A161	L67-M157 HydrophobicContact CD1-CE 3.94Å; M116-M157 HydrophobicContact CE-CG 4.36Å; M116-M157 HydrophobicContact SD-CB 3.83Å; M116-M157 HydrophobicContact SD-CG 3.8Å; M125-M157 HydrophobicContact CE-CB 4.14Å; V153-M157 HydrophobicContact CG2-CG 4.43Å; V153-M157 VanDerWaalsContact O-CB 3.31Å; V153-M157 WeakPolarHBondContact O-CB 3.45Å; V153-M157 WeakPolarHBondContact O-CG 3.39Å; V153-M157 PolarHBondContact O-N 3.17Å; T154-M157 PolarHBondContact O-N 2.95Å; M157-Y160 PolarHBondContact O-N 2.63Å; M157-A161 PolarHBondContact O-N 2.68Å
158	C	97.7	Very high	96.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-48.8	171.7	-167.7	0	0	0	0	111	M125 T154 T155 G156 Y160 A161 C188	M125-C158 HydrophobicContact CB-CB 3.79Å; M125-C158 HydrophobicContact CE-CB 4.41Å; T154-C158 WeakPolarHBondContact O-CB 3.44Å; T154-C158 PolarHBondContact O-N 3.34Å; T155-C158 WeakPolarHBondContact O-CB 3.38Å; T155-C158 PolarHBondContact O-N 3.11Å; G156-C158 VanDerWaalsContact C-N 3.31Å; G156-C158 PolarHBondContact O-N 2.69Å; C158-Y160 PolarHBondContact O-N 3.33Å; C158-A161 WeakPolarHBondContact O-CB 3.37Å; C158-A161 PolarHBondContact O-N 3.16Å; C158-C188 VanDerWaalsContact CB-SG 3.57Å
159	A	97.1	Very high	96.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-40	175.5	0	0	0	0	0	112.6	T155 G156 A161 E162 A165 L198 F220	T155-A159 PolarHBondContact O-N 2.79Å; G156-A159 PolarHBondContact O-N 3.4Å; A159-A161 PolarHBondContact O-N 3.32Å; A159-E162 WeakPolarHBondContact O-CB 3.44Å; A159-E162 PolarHBondContact O-N 3.42Å; A159-A165 HydrophobicContact CB-CB 4.45Å; A159-L198 HydrophobicContact CB-CD1 3.84Å; A159-F220 HydrophobicContact CB-CB 3.67Å; A159-F220 HydrophobicContact CB-CD1 3.92Å; A159-F220 HydrophobicContact CB-CD2 3.77Å; A159-F220 HydrophobicContact CB-CE2 4.44Å; A159-F220 HydrophobicContact CB-CG 3.49Å; A159-F220 VanDerWaalsContact CB-CG 3.49Å
160	Y	93.8	Very high	96.4	Very high	100 Å²	100	38.7 Å²	38.7	39%	0.392	23%	0.228	S	C	.	.	H	α-helix	trans	-61.3	-30.4	179	-170.9	-91	0	0	0	112.4	G156 M157 C158 E162 G163 V164	G156-Y160 VanDerWaalsContact O-CB 3.26Å; G156-Y160 WeakPolarHBondContact O-CB 3.26Å; G156-Y160 PolarHBondContact O-N 2.85Å; M157-Y160 PolarHBondContact O-N 2.63Å; C158-Y160 PolarHBondContact O-N 3.33Å; Y160-E162 PolarHBondContact O-N 3.2Å; Y160-E162 VanDerWaalsContact O-N 3.15Å; Y160-G163 WeakPolarHBondContact CA-O 3.33Å; Y160-G163 CarbonylContact O-C 3.59Å; Y160-G163 PolarHBondContact O-N 2.82Å; Y160-V164 HydrophobicContact CE2-CB 4.42Å; Y160-V164 HydrophobicContact CE2-CG1 4.44Å; Y160-V164 HydrophobicContact CE2-CG2 4.01Å
161	A	93.4	Very high	96.4	Very high	48 Å²	48	42.9 Å²	42.9	40%	0.397	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.4	174.3	0	0	0	0	0	113.2	Y118 M157 C158 A159	Y118-A161 HydrophobicContact CD1-CB 4.42Å; Y118-A161 HydrophobicContact CD2-CB 4.46Å; Y118-A161 HydrophobicContact CE1-CB 3.82Å; Y118-A161 HydrophobicContact CE2-CB 3.9Å; M157-A161 PolarHBondContact O-N 2.68Å; C158-A161 WeakPolarHBondContact O-CB 3.37Å; C158-A161 PolarHBondContact O-N 3.16Å; A159-A161 PolarHBondContact O-N 3.32Å
162	E	92.7	Very high	96.4	Very high	60 Å²	60	44.2 Å²	44.2	28%	0.28	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.3	175.1	-59.2	-73.3	141	0	0	113.6	R123 A159 Y160 I190 L198 K222	R123-E162 IonicContact CZ-OE1 3.74Å; R123-E162 IonicContact CZ-OE2 3.58Å; R123-E162 IonicContact NE-OE1 2.98Å; R123-E162 PolarHBondContact NE-OE1 3.04Å; R123-E162 IonicContact NE-OE2 3.49Å; R123-E162 PolarHBondContact NE-OE2 2.88Å; R123-E162 IonicContact NH2-OE1 3.62Å; R123-E162 IonicContact NH2-OE2 2.85Å; R123-E162 PolarHBondContact NH2-OE2 3.47Å; A159-E162 WeakPolarHBondContact O-CB 3.44Å; A159-E162 PolarHBondContact O-N 3.42Å; Y160-E162 PolarHBondContact O-N 3.2Å; Y160-E162 VanDerWaalsContact O-N 3.15Å; E162-I190 HydrophobicContact CB-CD1 4.45Å; E162-I190 HydrophobicContact CG-CD1 3.21Å; E162-L198 HydrophobicContact CB-CD1 4Å; E162-L198 HydrophobicContact CB-CD2 4.25Å; E162-L198 HydrophobicContact CG-CD2 4.33Å; E162-K222 VanDerWaalsContact O-CE 3.26Å; E162-K222 WeakPolarHBondContact O-CE 3.32Å; E162-K222 PolarHBondContact O-NZ 3.41Å
163	G	90.8	Very high	96.4	Very high	29 Å²	29	45.3 Å²	45.3	30%	0.299	26%	0.263	S	S	.	.	S	Bend	trans	135.7	162	-176.3	0	0	0	0	0	112.7	Y160 A165	Y160-G163 WeakPolarHBondContact CA-O 3.33Å; Y160-G163 CarbonylContact O-C 3.59Å; Y160-G163 PolarHBondContact O-N 2.82Å; G163-A165 PolarHBondContact O-N 3.17Å; G163-A165 VanDerWaalsContact O-N 3.09Å
164	V	89.9	Confident	96.4	Very high	40 Å²	40	49.3 Å²	49.3	24%	0.242	28%	0.276	C	S	.	.	S	Bend	trans	-59.3	115.8	179.9	-175.1	0	0	0	0	109.8	F81 F85 Y160 K222 L223	F81-V164 HydrophobicContact CD2-CG1 3.69Å; F81-V164 HydrophobicContact CE2-CG1 3.41Å; F81-V164 VanDerWaalsContact CE2-CG1 3.41Å; F85-V164 HydrophobicContact CD2-CG1 4.34Å; F85-V164 HydrophobicContact CE2-CB 4.29Å; F85-V164 HydrophobicContact CE2-CG1 4.01Å; F85-V164 HydrophobicContact CE2-CG2 4.3Å; F85-V164 HydrophobicContact CZ-CB 4.49Å; F85-V164 HydrophobicContact CZ-CG1 4.46Å; Y160-V164 HydrophobicContact CE2-CB 4.42Å; Y160-V164 HydrophobicContact CE2-CG1 4.44Å; Y160-V164 HydrophobicContact CE2-CG2 4.01Å; V164-K222 CarbonylContact O-C 3.52Å; V164-K222 WeakPolarHBondContact O-CA 3.24Å; V164-L223 HydrophobicContact CG1-CB 4.48Å; V164-L223 HydrophobicContact CG1-CD1 3.87Å; V164-L223 HydrophobicContact CG1-CG 4.25Å; V164-L223 PolarHBondContact O-N 3.19Å
165	A	91.8	Very high	96.4	Very high	16 Å²	16	54 Å²	54	13%	0.132	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154	-175.9	0	0	0	0	0	111.1	A159 G163 L198 F220 V221 K222	A159-A165 HydrophobicContact CB-CB 4.45Å; G163-A165 PolarHBondContact O-N 3.17Å; G163-A165 VanDerWaalsContact O-N 3.09Å; A165-L198 HydrophobicContact CB-CD1 4.36Å; A165-F220 HydrophobicContact CB-CB 4.07Å; A165-V221 VanDerWaalsContact CA-O 3.3Å; A165-V221 WeakPolarHBondContact CA-O 3.31Å; A165-K222 HydrophobicContact CB-CG 4.33Å
166	M	95.1	Very high	96.4	Very high	95 Å²	95	59.1 Å²	59.1	47%	0.468	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	147.4	177.2	-67.4	-70.8	-72.5	0	0	110.3	A168 F220 V221 L223	M166-A168 PolarHBondContact O-N 3.47Å; M166-F220 WeakPolarHBondContact O-CA 3.43Å; M166-V221 PolarHBondContact N-O 3.31Å; M166-V221 PolarHBondContact O-N 3.02Å; M166-L223 HydrophobicContact CB-CD2 4.31Å; M166-L223 HydrophobicContact CG-CD1 4.04Å; M166-L223 HydrophobicContact CG-CD2 3.74Å; M166-L223 HydrophobicContact CG-CG 4.11Å
167	T	98.1	Very high	96.4	Very high	58 Å²	58	62 Å²	62	36%	0.356	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	125.4	175.2	-41.7	0	0	0	0	109.7	D152 L170 F220	D152-T167 WeakPolarHBondContact OD1-CG2 3.31Å; D152-T167 PolarHBondContact OD1-OG1 3.36Å; T167-L170 HydrophobicContact CG2-CB 4.21Å; T167-F220 HydrophobicContact CG2-CE1 4.2Å; T167-F220 HydrophobicContact CG2-CZ 4.16Å; T167-F220 WeakPolarHBondContact OG1-CE1 3.3Å
168	A	98.3	Very high	96.5	Very high	63 Å²	63	58.9 Å²	58.9	52%	0.521	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-32.8	175.4	0	0	0	0	0	112.2	M166 L219 V221	M166-A168 PolarHBondContact O-N 3.47Å; A168-L219 HydrophobicContact CB-CD2 4.27Å; A168-L219 HydrophobicContact CB-CG 4.17Å; A168-L219 PolarHBondContact N-O 3.39Å; A168-V221 HydrophobicContact CB-CG2 3.78Å
169	N	98.8	Very high	96.5	Very high	80 Å²	80	61.3 Å²	61.3	43%	0.428	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	142.8	169.9	178.5	-96.4	0	0	0	109.6	A218 L219	N169-A218 CarbonylContact O-C 3.59Å; N169-A218 VanDerWaalsContact O-CA 3.31Å; N169-A218 WeakPolarHBondContact O-CA 3.36Å; N169-L219 HydrophobicContact CB-CB 3.99Å; N169-L219 PolarHBondContact N-O 3.06Å; N169-L219 VanDerWaalsContact N-O 3.15Å; N169-L219 PolarHBondContact O-N 3.2Å
170	L	98.8	Very high	96.6	Very high	54 Å²	54	62.7 Å²	62.7	28%	0.283	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	114.4	170.5	179.4	60.7	0	0	0	107.6	I151 D152 T167 I172 A218	I151-L170 HydrophobicContact CG2-CD1 3.82Å; D152-L170 HydrophobicContact CB-CD2 3.91Å; T167-L170 HydrophobicContact CG2-CB 4.21Å; L170-I172 HydrophobicContact CD1-CD1 4.31Å; L170-I172 HydrophobicContact CD1-CG1 4.13Å; L170-I172 HydrophobicContact CD2-CD1 3.96Å; L170-I172 HydrophobicContact CG-CD1 3.9Å; L170-I172 HydrophobicContact CG-CG1 3.96Å; L170-A218 HydrophobicContact CD1-CB 3.91Å
171	N	98.8	Very high	96.8	Very high	88 Å²	88	61.1 Å²	61.1	47%	0.471	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.3	178.5	-171.1	2.6	0	0	0	109.2	A216 T217	N171-A216 CarbonylContact O-C 3.55Å; N171-A216 WeakPolarHBondContact O-CA 3.47Å; N171-A216 VanDerWaalsContact O-CB 3.26Å; N171-A216 WeakPolarHBondContact O-CB 3.49Å; N171-T217 PolarHBondContact N-O 3.05Å; N171-T217 PolarHBondContact O-N 3.25Å
172	I	98.9	Very high	97	Very high	28 Å²	28	60.1 Å²	60.1	14%	0.144	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	123	-168.2	-53.6	176.1	0	0	0	109.8	A148 I151 L170 Y174 T214 A216	A148-I172 HydrophobicContact CB-CD1 3.49Å; A148-I172 VanDerWaalsContact CB-CD1 3.49Å; I151-I172 HydrophobicContact CD1-CD1 4.14Å; I151-I172 HydrophobicContact CD1-CG1 4.4Å; I151-I172 HydrophobicContact CD1-CG2 3.97Å; L170-I172 HydrophobicContact CD1-CD1 4.31Å; L170-I172 HydrophobicContact CD1-CG1 4.13Å; L170-I172 HydrophobicContact CD2-CD1 3.96Å; L170-I172 HydrophobicContact CG-CD1 3.9Å; L170-I172 HydrophobicContact CG-CG1 3.96Å; I172-Y174 HydrophobicContact CB-CE2 4.11Å; I172-Y174 HydrophobicContact CG2-CD1 4.35Å; I172-Y174 HydrophobicContact CG2-CD2 4.15Å; I172-Y174 HydrophobicContact CG2-CE1 3.93Å; I172-Y174 HydrophobicContact CG2-CE2 3.71Å; I172-Y174 HydrophobicContact CG2-CG 4.45Å; I172-T214 HydrophobicContact CG2-CG2 3.29Å; I172-A216 HydrophobicContact CB-CB 4.45Å; I172-A216 HydrophobicContact CG1-CB 4.04Å; I172-A216 HydrophobicContact CG2-CB 4.49Å
173	D	98.9	Very high	97.3	Very high	81 Å²	81	57.8 Å²	57.8	43%	0.433	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108.5	171	-69.4	-26.4	0	0	0	110.3	K175 T214 E215	D173-K175 HydrophobicContact CB-CD 4.17Å; D173-K175 PolarHBondContact O-N 2.72Å; D173-K175 IonicContact OD2-NZ 2.97Å; D173-K175 PolarHBondContact OD2-NZ 2.97Å; D173-T214 WeakPolarHBondContact O-CA 3.11Å; D173-T214 WeakPolarHBondContact O-CG2 3.28Å; D173-E215 PolarHBondContact N-O 3.21Å; D173-E215 PolarHBondContact O-N 3.36Å
174	Y	98.8	Very high	97.7	Very high	111 Å²	111	56.5 Å²	56.5	44%	0.435	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	103.6	174.2	-58.3	-88.1	0	0	0	109.9	G144 I147 I172 T214	G144-Y174 PolarHBondContact O-OH 3.28Å; I147-Y174 HydrophobicContact CB-CE1 3.97Å; I147-Y174 HydrophobicContact CD1-CD1 4.33Å; I147-Y174 HydrophobicContact CD1-CE1 4.24Å; I147-Y174 HydrophobicContact CG2-CD1 4.43Å; I147-Y174 HydrophobicContact CG2-CE1 3.88Å; I172-Y174 HydrophobicContact CB-CE2 4.11Å; I172-Y174 HydrophobicContact CG2-CD1 4.35Å; I172-Y174 HydrophobicContact CG2-CD2 4.15Å; I172-Y174 HydrophobicContact CG2-CE1 3.93Å; I172-Y174 HydrophobicContact CG2-CE2 3.71Å; I172-Y174 HydrophobicContact CG2-CG 4.45Å; Y174-T214 HydrophobicContact CD1-CG2 4.42Å
175	K	98.6	Very high	98.1	Very high	99 Å²	99	55.6 Å²	55.6	43%	0.43	31%	0.305	S	S	.	.			trans	-86	-41.2	-176.9	-50.9	-61.1	-172	-178.4	0	112.2	D173 L212 Y213 E215	D173-K175 HydrophobicContact CB-CD 4.17Å; D173-K175 PolarHBondContact O-N 2.72Å; D173-K175 IonicContact OD2-NZ 2.97Å; D173-K175 PolarHBondContact OD2-NZ 2.97Å; K175-L212 HydrophobicContact CG-CD2 4.48Å; K175-Y213 WeakPolarHBondContact CA-O 3.25Å; K175-Y213 WeakPolarHBondContact CB-O 3.36Å; K175-Y213 PolarHBondContact N-O 3.37Å; K175-E215 WeakPolarHBondContact CE-OE2 3.33Å; K175-E215 IonicContact NZ-OE2 3.86Å; K175-E215 PolarHBondContact NZ-OE2 3.01Å
176	K	98.7	Very high	98.5	Very high	107 Å²	107	54.8 Å²	54.8	47%	0.465	30%	0.299	S	S	.	.	S	Bend	trans	-143.3	146.9	179.1	-66	178.7	-179.9	177.8	0	110.4	T211 Y213	K176-T211 HydrophobicContact CD-CG2 3.64Å; K176-Y213 HydrophobicContact CB-CD1 4Å; K176-Y213 PolarHBondContact N-O 3.48Å
177	P	98.4	Very high	98.6	Very high	78 Å²	78	51.7 Å²	51.7	51%	0.506	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-71.2	143	178.3	33.1	-36.9	0	0	0	110.7	Y141 Y213	Y141-P177 HydrophobicContact CD1-CB 3.54Å; Y141-P177 HydrophobicContact CD1-CG 3.96Å; Y141-P177 HydrophobicContact CE1-CB 3.87Å; Y141-P177 HydrophobicContact CE1-CG 3.74Å; Y141-P177 HydrophobicContact CG-CB 4.04Å; P177-Y213 WeakPolarHBondContact O-CD1 3.45Å; P177-Y213 WeakPolarHBondContact O-CE1 3.46Å
178	I	98.8	Very high	98.7	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-90.8	121.2	177.2	-59.9	178.8	0	0	0	108.5	Y141 V142 I147 S182 V184 I204 Y213	Y141-I178 WeakPolarHBondContact CA-O 3.32Å; Y141-I178 WeakPolarHBondContact CB-O 3.41Å; V142-I178 HydrophobicContact CB-CB 4.25Å; V142-I178 HydrophobicContact CB-CG2 4.48Å; V142-I178 HydrophobicContact CG2-CB 4.07Å; V142-I178 HydrophobicContact CG2-CG2 3.8Å; V142-I178 PolarHBondContact N-O 2.97Å; I147-I178 HydrophobicContact CD1-CB 4.33Å; I147-I178 HydrophobicContact CD1-CD1 3.74Å; I147-I178 HydrophobicContact CD1-CG1 4.03Å; I147-I178 HydrophobicContact CG1-CD1 3.96Å; I147-I178 HydrophobicContact CG2-CD1 4.23Å; I178-S182 WeakPolarHBondContact CG2-OG 3.48Å; I178-V184 HydrophobicContact CD1-CG1 4.39Å; I178-V184 HydrophobicContact CG2-CG1 3.75Å; I178-I204 HydrophobicContact CD1-CD1 4.39Å; I178-I204 HydrophobicContact CD1-CG2 3.92Å; I178-Y213 HydrophobicContact CB-CD1 4.47Å; I178-Y213 HydrophobicContact CD1-CG 4.31Å; I178-Y213 HydrophobicContact CG1-CD1 3.74Å; I178-Y213 HydrophobicContact CG1-CD2 4.22Å; I178-Y213 HydrophobicContact CG1-CE1 4.41Å; I178-Y213 HydrophobicContact CG1-CG 3.62Å
179	P	98.6	Very high	98.7	Very high	52 Å²	52	50.4 Å²	50.4	34%	0.338	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-60.1	138.6	175	-23.2	34.1	0	0	0	111.7	S182	P179-S182 VanDerWaalsContact O-CB 3.3Å; P179-S182 WeakPolarHBondContact O-CB 3.11Å; P179-S182 PolarHBondContact O-N 2.82Å; P179-S182 PolarHBondContact O-OG 3.42Å
180	L	98.4	Very high	98.7	Very high	28 Å²	28	47.2 Å²	47.2	15%	0.147	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	148.2	175	-163.9	66.8	0	0	0	110.4	G132 L133 Q136 G140 V142 S182	G132-L180 WeakPolarHBondContact O-CD1 3.47Å; L133-L180 HydrophobicContact CD2-CD2 4.04Å; Q136-L180 HydrophobicContact CB-CD1 4.24Å; Q136-L180 HydrophobicContact CB-CD2 3.97Å; Q136-L180 HydrophobicContact CG-CD2 4.34Å; G140-L180 WeakPolarHBondContact O-CB 3.3Å; G140-L180 PolarHBondContact O-N 3.31Å; V142-L180 HydrophobicContact CG2-CD1 4.29Å; L180-S182 PolarHBondContact O-N 3.18Å; L180-S182 VanDerWaalsContact O-N 3.11Å
181	C	98.2	Very high	98.4	Very high	67 Å²	67	48.3 Å²	48.3	45%	0.453	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	8.8	-177	-58.6	0	0	0	0	115.7	S131 L133	S131-C181 WeakPolarHBondContact O-CA 3.48Å; S131-C181 PolarHBondContact O-N 2.97Å; S131-C181 PolarHBondContact OG-N 2.83Å; L133-C181 VanDerWaalsContact CD2-SG 3.52Å
182	S	98.3	Very high	98.3	Very high	28 Å²	28	47.5 Å²	47.5	20%	0.196	25%	0.254	C	S	.	.			trans	-84.5	161.4	173.6	70.9	0	0	0	0	112.6	Q130 S131 I178 P179 L180	Q130-S182 WeakPolarHBondContact CA-O 3.26Å; S131-S182 PolarHBondContact N-O 3.47Å; I178-S182 WeakPolarHBondContact CG2-OG 3.48Å; P179-S182 VanDerWaalsContact O-CB 3.3Å; P179-S182 WeakPolarHBondContact O-CB 3.11Å; P179-S182 PolarHBondContact O-N 2.82Å; P179-S182 PolarHBondContact O-OG 3.42Å; L180-S182 PolarHBondContact O-N 3.18Å; L180-S182 VanDerWaalsContact O-N 3.11Å
183	V	98.9	Very high	98.2	Very high	11 Å²	11	48.9 Å²	48.9	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.3	171.3	-176.1	0	0	0	0	109.1	S45 D47 L48 L51 F129 Q130 V207	S45-V183 WeakPolarHBondContact OG-CG2 3.44Å; D47-V183 HydrophobicContact CB-CB 4.31Å; D47-V183 HydrophobicContact CB-CG2 4Å; L48-V183 HydrophobicContact CB-CG1 4.26Å; L48-V183 HydrophobicContact CB-CG2 3.88Å; L48-V183 HydrophobicContact CD1-CG1 4.29Å; L51-V183 HydrophobicContact CD1-CG1 3.98Å; F129-V183 CarbonylContact O-C 3.46Å; F129-V183 WeakPolarHBondContact O-CA 3.37Å; Q130-V183 HydrophobicContact CB-CG2 4.14Å; Q130-V183 HydrophobicContact CG-CG2 4.23Å; V183-V207 HydrophobicContact CB-CG2 3.97Å; V183-V207 HydrophobicContact CG1-CG2 4.02Å
184	V	98.9	Very high	98.2	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.1	174.8	-61.7	0	0	0	0	110.8	F129 I178 I204 Q205 Y213	F129-V184 HydrophobicContact CB-CG2 4.16Å; F129-V184 HydrophobicContact CD1-CG2 3.58Å; F129-V184 HydrophobicContact CE1-CG2 4.45Å; F129-V184 HydrophobicContact CG-CG2 4.3Å; F129-V184 PolarHBondContact N-O 3.46Å; F129-V184 PolarHBondContact O-N 3.09Å; I178-V184 HydrophobicContact CD1-CG1 4.39Å; I178-V184 HydrophobicContact CG2-CG1 3.75Å; V184-I204 HydrophobicContact CB-CG2 3.63Å; V184-I204 HydrophobicContact CG1-CG2 4.19Å; V184-I204 HydrophobicContact CG2-CG2 3.67Å; V184-Q205 WeakPolarHBondContact CA-O 3.32Å; V184-Q205 WeakPolarHBondContact CB-O 3.48Å; V184-Y213 HydrophobicContact CG1-CD2 3.92Å; V184-Y213 HydrophobicContact CG1-CE2 3.74Å
185	V	98.9	Very high	98	Very high	21 Å²	21	48 Å²	48	13%	0.127	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.8	176.6	-176.1	0	0	0	0	108.1	L51 V126 L128 I204 Q205	L51-V185 HydrophobicContact CD1-CG2 3.94Å; V126-V185 HydrophobicContact CG1-CG1 3.64Å; L128-V185 HydrophobicContact CD2-CG1 4.42Å; L128-V185 HydrophobicContact CD2-CG2 4.34Å; V185-I204 WeakPolarHBondContact O-CA 3.43Å; V185-Q205 PolarHBondContact N-O 3.14Å; V185-Q205 PolarHBondContact O-N 3.28Å
186	V	98.9	Very high	97.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.4	172.9	-172.2	0	0	0	0	107.6	V126 C127 F129 I150 T154 C202 S203 I204	V126-V186 CarbonylContact C-O 3.54Å; V126-V186 WeakPolarHBondContact CA-O 3.42Å; C127-V186 HydrophobicContact CB-CB 4.06Å; C127-V186 PolarHBondContact N-O 3.06Å; C127-V186 PolarHBondContact O-N 2.85Å; F129-V186 HydrophobicContact CB-CG2 4.38Å; I150-V186 HydrophobicContact CG1-CG2 4.28Å; I150-V186 HydrophobicContact CG2-CG2 4.2Å; T154-V186 HydrophobicContact CG2-CB 4.44Å; T154-V186 HydrophobicContact CG2-CG1 3.97Å; V186-C202 VanDerWaalsContact CG1-SG 3.52Å; V186-S203 CarbonylContact C-O 3.58Å; V186-S203 WeakPolarHBondContact CA-O 3.16Å; V186-I204 HydrophobicContact CB-CG1 4.37Å; V186-I204 HydrophobicContact CG1-CG1 4.12Å; V186-I204 HydrophobicContact CG2-CD1 4.08Å; V186-I204 HydrophobicContact CG2-CG1 3.98Å
187	N	98.8	Very high	97.9	Very high	30 Å²	30	48.9 Å²	48.9	16%	0.16	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.6	-177.5	178	10.4	0	0	0	109.2	R124 C202 S203	R124-N187 PolarHBondContact NE-OD1 3.02Å; R124-N187 PolarHBondContact NH2-ND2 3.39Å; N187-C202 CarbonylContact O-C 3.58Å; N187-C202 VanDerWaalsContact O-CA 3.3Å; N187-C202 WeakPolarHBondContact O-CA 3.17Å; N187-S203 PolarHBondContact N-O 2.8Å; N187-S203 PolarHBondContact O-N 2.99Å
188	C	98.6	Very high	97.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	156.1	176.2	80.1	0	0	0	0	113	R124 M125 T155 C158 V200 S201 C202	R124-C188 CarbonylContact C-O 3.59Å; R124-C188 WeakPolarHBondContact CA-O 3.35Å; R124-C188 VanDerWaalsContact CG-O 3.32Å; R124-C188 WeakPolarHBondContact CG-O 3.39Å; M125-C188 PolarHBondContact N-O 3.43Å; M125-C188 PolarHBondContact O-N 3Å; T155-C188 HydrophobicContact CG2-CB 3.86Å; C158-C188 VanDerWaalsContact CB-SG 3.57Å; C188-V200 HydrophobicContact CB-CG1 3.93Å; C188-S201 CarbonylContact C-O 3.58Å; C188-S201 WeakPolarHBondContact CA-O 3.4Å; C188-S201 VanDerWaalsContact CB-O 3.27Å; C188-S201 WeakPolarHBondContact CB-O 3.5Å; C188-C202 HydrophobicContact CB-CB 3.7Å
189	Q	98.5	Very high	97.9	Very high	93 Å²	93	48 Å²	48	44%	0.435	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	146.8	-177.4	63	-178	17	0	0	110.2	R123 R124 S191 V200 S201	R123-Q189 WeakPolarHBondContact O-CA 3.24Å; R124-Q189 HydrophobicContact CB-CB 4.39Å; R124-Q189 HydrophobicContact CG-CB 4.37Å; Q189-S191 PolarHBondContact O-N 3.37Å; Q189-V200 WeakPolarHBondContact O-CA 3.48Å; Q189-V200 WeakPolarHBondContact O-CG1 3.33Å; Q189-S201 WeakPolarHBondContact CG-OG 3.39Å; Q189-S201 PolarHBondContact N-O 2.91Å; Q189-S201 PolarHBondContact O-N 2.92Å
190	I	98.4	Very high	97.9	Very high	13 Å²	13	45.7 Å²	45.7	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	107	173.9	-51	-175.9	0	0	0	108.6	R123 E162 L198 F199 V200	R123-I190 HydrophobicContact CB-CB 4.25Å; R123-I190 HydrophobicContact CB-CG1 4.43Å; R123-I190 PolarHBondContact O-N 2.88Å; E162-I190 HydrophobicContact CB-CD1 4.45Å; E162-I190 HydrophobicContact CG-CD1 3.21Å; I190-L198 HydrophobicContact CG2-CD2 4.35Å; I190-F199 CarbonylContact C-O 3.57Å; I190-F199 WeakPolarHBondContact CA-O 3.3Å; I190-F199 WeakPolarHBondContact CG2-O 3.31Å; I190-V200 HydrophobicContact CG1-CG2 4.3Å
191	S	93.5	Very high	97.9	Very high	77 Å²	77	46 Å²	46	54%	0.538	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-31.8	-177.3	57.1	0	0	0	0	112.8	Q189 F199	Q189-S191 PolarHBondContact O-N 3.37Å; S191-F199 PolarHBondContact N-O 3.43Å; S191-F199 PolarHBondContact OG-O 2.87Å
192	N	95.9	Very high	97.9	Very high	71 Å²	71	43.1 Å²	43.1	38%	0.38	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	155.5	-179.2	-169.3	19.8	0	0	0	112	E194 F199	N192-E194 PolarHBondContact ND2-OE1 2.89Å; N192-F199 HydrophobicContact CB-CB 4.2Å; N192-F199 HydrophobicContact CB-CD2 3.97Å; N192-F199 HydrophobicContact CB-CG 4.42Å; N192-F199 PolarHBondContact N-O 2.9Å; N192-F199 PolarHBondContact O-N 3.39Å
193	T	97.8	Very high	97.9	Very high	56 Å²	56	43 Å²	43	34%	0.344	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.7	173.1	-52.7	0	0	0	0	109.6	R123 K197 L198	R123-T193 PolarHBondContact NH1-OG1 3.04Å; R123-T193 PolarHBondContact NH2-OG1 3.33Å; T193-K197 CarbonylContact C-O 3.54Å; T193-K197 WeakPolarHBondContact CA-O 3.41Å; T193-L198 HydrophobicContact CG2-CD2 3.83Å
194	E	97.8	Very high	97.9	Very high	102 Å²	102	42.5 Å²	42.5	48%	0.477	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	97.1	177.5	-67	175.8	-171.2	0	0	110.5	N192 R196 K197 F199	N192-E194 PolarHBondContact ND2-OE1 2.89Å; E194-R196 PolarHBondContact O-N 2.88Å; E194-K197 HydrophobicContact CB-CB 4.3Å; E194-K197 PolarHBondContact N-O 2.77Å; E194-K197 WeakPolarHBondContact O-CB 3.38Å; E194-K197 PolarHBondContact O-N 2.9Å; E194-F199 HydrophobicContact CB-CE2 4.12Å; E194-F199 HydrophobicContact CG-CE2 3.93Å
195	G	95.9	Very high	97.9	Very high	73 Å²	73	44.5 Å²	44.5	75%	0.753	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	-109.9	-173.1	0	0	0	0	0	111.1
196	R	96	Very high	97.9	Very high	125 Å²	125	44 Å²	44	47%	0.472	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.3	177	-62	-166.9	-61.8	130.2	-5	114.1	E194 V221 K222	E194-R196 PolarHBondContact O-N 2.88Å; R196-V221 HydrophobicContact CB-CG1 4.26Å; R196-V221 CarbonylContact O-C 3.52Å; R196-V221 WeakPolarHBondContact O-CA 3.44Å; R196-K222 HydrophobicContact CB-CB 4.22Å; R196-K222 PolarHBondContact NH1-O 2.96Å; R196-K222 PolarHBondContact O-N 3.01Å
197	K	98.2	Very high	97.9	Very high	99 Å²	99	46.6 Å²	46.6	43%	0.43	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.9	-178.2	-64	-179.7	-174.9	176.4	0	110.4	T193 E194 F199 L219 F220	T193-K197 CarbonylContact C-O 3.54Å; T193-K197 WeakPolarHBondContact CA-O 3.41Å; E194-K197 HydrophobicContact CB-CB 4.3Å; E194-K197 PolarHBondContact N-O 2.77Å; E194-K197 WeakPolarHBondContact O-CB 3.38Å; E194-K197 PolarHBondContact O-N 2.9Å; K197-F199 HydrophobicContact CB-CE2 3.88Å; K197-F199 HydrophobicContact CB-CZ 4.25Å; K197-F199 HydrophobicContact CD-CZ 4.19Å; K197-L219 HydrophobicContact CB-CD1 3.74Å; K197-L219 HydrophobicContact CD-CD1 4.44Å; K197-L219 HydrophobicContact CG-CD1 4.12Å; K197-F220 CarbonylContact C-O 3.58Å; K197-F220 WeakPolarHBondContact CA-O 3.41Å
198	L	98.6	Very high	97.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.6	173.6	-64.6	170	0	0	0	108.1	A159 E162 A165 I190 T193 L219 F220 K222	A159-L198 HydrophobicContact CB-CD1 3.84Å; E162-L198 HydrophobicContact CB-CD1 4Å; E162-L198 HydrophobicContact CB-CD2 4.25Å; E162-L198 HydrophobicContact CG-CD2 4.33Å; A165-L198 HydrophobicContact CB-CD1 4.36Å; I190-L198 HydrophobicContact CG2-CD2 4.35Å; T193-L198 HydrophobicContact CG2-CD2 3.83Å; L198-L219 WeakPolarHBondContact O-CA 3.48Å; L198-F220 HydrophobicContact CB-CB 4.19Å; L198-F220 PolarHBondContact N-O 3.17Å; L198-F220 PolarHBondContact O-N 3.29Å; L198-K222 HydrophobicContact CD1-CD 4.47Å; L198-K222 HydrophobicContact CD1-CG 3.97Å; L198-K222 HydrophobicContact CG-CG 4.36Å
199	F	98.7	Very high	97.6	Very high	60 Å²	60	56 Å²	56	26%	0.263	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.2	177	-60.4	-92.2	0	0	0	108.9	I190 S191 N192 E194 K197 L219	I190-F199 CarbonylContact C-O 3.57Å; I190-F199 WeakPolarHBondContact CA-O 3.3Å; I190-F199 WeakPolarHBondContact CG2-O 3.31Å; S191-F199 PolarHBondContact N-O 3.43Å; S191-F199 PolarHBondContact OG-O 2.87Å; N192-F199 HydrophobicContact CB-CB 4.2Å; N192-F199 HydrophobicContact CB-CD2 3.97Å; N192-F199 HydrophobicContact CB-CG 4.42Å; N192-F199 PolarHBondContact N-O 2.9Å; N192-F199 PolarHBondContact O-N 3.39Å; E194-F199 HydrophobicContact CB-CE2 4.12Å; E194-F199 HydrophobicContact CG-CE2 3.93Å; K197-F199 HydrophobicContact CB-CE2 3.88Å; K197-F199 HydrophobicContact CB-CZ 4.25Å; K197-F199 HydrophobicContact CD-CZ 4.19Å; F199-L219 HydrophobicContact CD1-CD1 4.03Å; F199-L219 HydrophobicContact CE1-CD1 3.86Å; F199-L219 HydrophobicContact CE2-CD1 4.45Å; F199-L219 HydrophobicContact CG-CD1 4.42Å; F199-L219 HydrophobicContact CZ-CD1 4.09Å
200	V	98.8	Very high	97.6	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.3	-175.5	-169.8	0	0	0	0	108.8	T155 C188 Q189 I190 T217 A218 F220	T155-V200 HydrophobicContact CG2-CB 4.48Å; T155-V200 HydrophobicContact CG2-CG1 3.83Å; C188-V200 HydrophobicContact CB-CG1 3.93Å; Q189-V200 WeakPolarHBondContact O-CA 3.48Å; Q189-V200 WeakPolarHBondContact O-CG1 3.33Å; I190-V200 HydrophobicContact CG1-CG2 4.3Å; V200-T217 CarbonylContact O-C 3.55Å; V200-T217 WeakPolarHBondContact O-CA 3.18Å; V200-A218 HydrophobicContact CB-CB 4.44Å; V200-A218 PolarHBondContact N-O 3.4Å; V200-A218 PolarHBondContact O-N 3.13Å; V200-F220 HydrophobicContact CG2-CD2 4Å; V200-F220 HydrophobicContact CG2-CE2 4.39Å
201	S	98.6	Very high	97.6	Very high	34 Å²	34	60.7 Å²	60.7	24%	0.238	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	141	169.1	56.4	0	0	0	0	109.6	C188 Q189	C188-S201 CarbonylContact C-O 3.58Å; C188-S201 WeakPolarHBondContact CA-O 3.4Å; C188-S201 VanDerWaalsContact CB-O 3.27Å; C188-S201 WeakPolarHBondContact CB-O 3.5Å; Q189-S201 WeakPolarHBondContact CG-OG 3.39Å; Q189-S201 PolarHBondContact N-O 2.91Å; Q189-S201 PolarHBondContact O-N 2.92Å
202	C	98.6	Very high	97.9	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.054	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.7	-177.4	-175.9	0	0	0	0	111.2	I151 T155 V186 N187 C188 A216	I151-C202 HydrophobicContact CG2-CB 4.41Å; T155-C202 HydrophobicContact CG2-CB 3.66Å; V186-C202 VanDerWaalsContact CG1-SG 3.52Å; N187-C202 CarbonylContact O-C 3.58Å; N187-C202 VanDerWaalsContact O-CA 3.3Å; N187-C202 WeakPolarHBondContact O-CA 3.17Å; C188-C202 HydrophobicContact CB-CB 3.7Å; C202-A216 HydrophobicContact CB-CB 4.22Å; C202-A216 PolarHBondContact N-O 3.31Å; C202-A216 PolarHBondContact O-N 2.92Å
203	S	98.8	Very high	98	Very high	25 Å²	25	57.6 Å²	57.6	18%	0.175	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.1	170.4	57.8	0	0	0	0	110.6	V186 N187 T214	V186-S203 CarbonylContact C-O 3.58Å; V186-S203 WeakPolarHBondContact CA-O 3.16Å; N187-S203 PolarHBondContact N-O 2.8Å; N187-S203 PolarHBondContact O-N 2.99Å; S203-T214 CarbonylContact C-O 3.58Å; S203-T214 WeakPolarHBondContact CA-O 3.48Å
204	I	98.9	Very high	98	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.4	170.3	-56.4	-172.7	0	0	0	108.5	I147 I150 I151 I178 V184 V185 V186 Y213 T214	I147-I204 HydrophobicContact CG2-CD1 3.66Å; I150-I204 HydrophobicContact CG2-CD1 4.3Å; I151-I204 HydrophobicContact CD1-CD1 3.82Å; I151-I204 HydrophobicContact CD1-CG1 4.39Å; I151-I204 HydrophobicContact CG1-CD1 3.7Å; I151-I204 HydrophobicContact CG1-CG1 4.26Å; I178-I204 HydrophobicContact CD1-CD1 4.39Å; I178-I204 HydrophobicContact CD1-CG2 3.92Å; V184-I204 HydrophobicContact CB-CG2 3.63Å; V184-I204 HydrophobicContact CG1-CG2 4.19Å; V184-I204 HydrophobicContact CG2-CG2 3.67Å; V185-I204 WeakPolarHBondContact O-CA 3.43Å; V186-I204 HydrophobicContact CB-CG1 4.37Å; V186-I204 HydrophobicContact CG1-CG1 4.12Å; V186-I204 HydrophobicContact CG2-CD1 4.08Å; V186-I204 HydrophobicContact CG2-CG1 3.98Å; I204-Y213 HydrophobicContact CG2-CD2 4.28Å; I204-Y213 PolarHBondContact O-N 3.38Å; I204-T214 PolarHBondContact N-O 2.6Å; I204-T214 PolarHBondContact O-N 3.01Å
205	Q	98.8	Very high	98.1	Very high	44 Å²	44	54 Å²	54	21%	0.206	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	160.7	-179.3	-65	175.6	-82.3	0	0	112.2	V184 V185 E209 T211 L212	V184-Q205 WeakPolarHBondContact CA-O 3.32Å; V184-Q205 WeakPolarHBondContact CB-O 3.48Å; V185-Q205 PolarHBondContact N-O 3.14Å; V185-Q205 PolarHBondContact O-N 3.28Å; Q205-E209 PolarHBondContact NE2-O 2.78Å; Q205-T211 CarbonylContact C-O 3.55Å; Q205-T211 WeakPolarHBondContact CA-O 3.49Å; Q205-L212 HydrophobicContact CG-CD1 4.03Å
206	S	98.6	Very high	98.2	Very high	11 Å²	11	51 Å²	51	8%	0.077	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	160.6	165.8	52.9	0	0	0	0	111.5	D208 E209 K210 T211	S206-D208 WeakPolarHBondContact CB-OD1 3.43Å; S206-D208 PolarHBondContact O-N 3.32Å; S206-D208 PolarHBondContact OG-OD1 2.89Å; S206-E209 WeakPolarHBondContact O-CA 3.48Å; S206-E209 PolarHBondContact O-N 3.26Å; S206-K210 PolarHBondContact OG-N 2.94Å; S206-T211 PolarHBondContact N-O 3.3Å; S206-T211 WeakPolarHBondContact OG-CB 3.4Å; S206-T211 PolarHBondContact OG-N 2.82Å
207	V	97.8	Very high	98.4	Very high	53 Å²	53	48.7 Å²	48.7	32%	0.321	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-36	177.2	176.6	0	0	0	0	112.6	D47 L51 V183 E209	D47-V207 HydrophobicContact CB-CG2 4.43Å; L51-V207 HydrophobicContact CD1-CB 4.36Å; L51-V207 HydrophobicContact CD1-CG1 3.95Å; L51-V207 HydrophobicContact CD1-CG2 3.87Å; L51-V207 HydrophobicContact CD2-CG1 4.14Å; L51-V207 HydrophobicContact CG-CG1 4.12Å; V183-V207 HydrophobicContact CB-CG2 3.97Å; V183-V207 HydrophobicContact CG1-CG2 4.02Å; V207-E209 VanDerWaalsContact C-N 3.3Å
208	D	96.4	Very high	98.4	Very high	86 Å²	86	44.2 Å²	44.2	46%	0.46	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	5.6	178.8	71.6	-12.8	0	0	0	113.9	S206 K210	S206-D208 WeakPolarHBondContact CB-OD1 3.43Å; S206-D208 PolarHBondContact O-N 3.32Å; S206-D208 PolarHBondContact OG-OD1 2.89Å; D208-K210 HydrophobicContact CB-CG 4.4Å; D208-K210 WeakPolarHBondContact O-CG 3.31Å; D208-K210 PolarHBondContact O-N 3.11Å; D208-K210 PolarHBondContact OD1-N 3.12Å; D208-K210 VanDerWaalsContact OD2-CD 3.23Å; D208-K210 WeakPolarHBondContact OD2-CD 3.49Å; D208-K210 WeakPolarHBondContact OD2-CG 3.44Å; D208-K210 IonicContact OD2-NZ 3.2Å
209	E	95.9	Very high	98.4	Very high	142 Å²	142	45.9 Å²	45.9	66%	0.664	24%	0.238	S	C	*	.	S	Bend	trans	61.6	3.8	-179.7	-56.6	179.9	-162.5	0	0	115.4	Q205 S206 V207	Q205-E209 PolarHBondContact NE2-O 2.78Å; S206-E209 WeakPolarHBondContact O-CA 3.48Å; S206-E209 PolarHBondContact O-N 3.26Å; V207-E209 VanDerWaalsContact C-N 3.3Å
210	K	97.9	Very high	98.4	Very high	168 Å²	168	43.2 Å²	43.2	73%	0.73	23%	0.226	S	C	*	.			trans	-78.9	-22.7	-176.4	-62.9	-174.8	-165.9	158.5	0	114	S206 D208	S206-K210 PolarHBondContact OG-N 2.94Å; D208-K210 HydrophobicContact CB-CG 4.4Å; D208-K210 WeakPolarHBondContact O-CG 3.31Å; D208-K210 PolarHBondContact O-N 3.11Å; D208-K210 PolarHBondContact OD1-N 3.12Å; D208-K210 VanDerWaalsContact OD2-CD 3.23Å; D208-K210 WeakPolarHBondContact OD2-CD 3.49Å; D208-K210 WeakPolarHBondContact OD2-CG 3.44Å; D208-K210 IonicContact OD2-NZ 3.2Å
211	T	98.6	Very high	98.3	Very high	38 Å²	38	44.9 Å²	44.9	23%	0.233	24%	0.236	C	C	.	.			trans	-116	115.6	-177.7	-57.8	0	0	0	0	110.1	K176 Q205 S206 Y213	K176-T211 HydrophobicContact CD-CG2 3.64Å; Q205-T211 CarbonylContact C-O 3.55Å; Q205-T211 WeakPolarHBondContact CA-O 3.49Å; S206-T211 PolarHBondContact N-O 3.3Å; S206-T211 WeakPolarHBondContact OG-CB 3.4Å; S206-T211 PolarHBondContact OG-N 2.82Å; T211-Y213 HydrophobicContact CG2-CD1 4.05Å; T211-Y213 HydrophobicContact CG2-CE1 3.7Å; T211-Y213 HydrophobicContact CG2-CE2 4.2Å; T211-Y213 HydrophobicContact CG2-CG 4.44Å
212	L	98.8	Very high	98.1	Very high	55 Å²	55	45.6 Å²	45.6	29%	0.288	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.4	166	-178.9	65.2	0	0	0	109.5	K175 Q205 E215	K175-L212 HydrophobicContact CG-CD2 4.48Å; Q205-L212 HydrophobicContact CG-CD1 4.03Å; L212-E215 HydrophobicContact CD1-CG 4.04Å; L212-E215 HydrophobicContact CD2-CG 3.81Å; L212-E215 HydrophobicContact CG-CG 4.26Å
213	Y	98.8	Very high	97.7	Very high	28 Å²	28	46.6 Å²	46.6	11%	0.11	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-45.5	178	-67.1	-71.4	0	0	0	112.1	K175 K176 P177 I178 V184 I204 T211	K175-Y213 WeakPolarHBondContact CA-O 3.25Å; K175-Y213 WeakPolarHBondContact CB-O 3.36Å; K175-Y213 PolarHBondContact N-O 3.37Å; K176-Y213 HydrophobicContact CB-CD1 4Å; K176-Y213 PolarHBondContact N-O 3.48Å; P177-Y213 WeakPolarHBondContact O-CD1 3.45Å; P177-Y213 WeakPolarHBondContact O-CE1 3.46Å; I178-Y213 HydrophobicContact CB-CD1 4.47Å; I178-Y213 HydrophobicContact CD1-CG 4.31Å; I178-Y213 HydrophobicContact CG1-CD1 3.74Å; I178-Y213 HydrophobicContact CG1-CD2 4.22Å; I178-Y213 HydrophobicContact CG1-CE1 4.41Å; I178-Y213 HydrophobicContact CG1-CG 3.62Å; V184-Y213 HydrophobicContact CG1-CD2 3.92Å; V184-Y213 HydrophobicContact CG1-CE2 3.74Å; I204-Y213 HydrophobicContact CG2-CD2 4.28Å; I204-Y213 PolarHBondContact O-N 3.38Å; T211-Y213 HydrophobicContact CG2-CD1 4.05Å; T211-Y213 HydrophobicContact CG2-CE1 3.7Å; T211-Y213 HydrophobicContact CG2-CE2 4.2Å; T211-Y213 HydrophobicContact CG2-CG 4.44Å
214	T	98.8	Very high	97.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	141.8	-171.3	-52.2	0	0	0	0	110.4	I147 I151 I172 D173 Y174 S203 I204	I147-T214 HydrophobicContact CG2-CG2 4.48Å; I151-T214 HydrophobicContact CD1-CG2 3.67Å; I172-T214 HydrophobicContact CG2-CG2 3.29Å; D173-T214 WeakPolarHBondContact O-CA 3.11Å; D173-T214 WeakPolarHBondContact O-CG2 3.28Å; Y174-T214 HydrophobicContact CD1-CG2 4.42Å; S203-T214 CarbonylContact C-O 3.58Å; S203-T214 WeakPolarHBondContact CA-O 3.48Å; I204-T214 PolarHBondContact N-O 2.6Å; I204-T214 PolarHBondContact O-N 3.01Å
215	E	98.6	Very high	96.2	Very high	82 Å²	82	50.9 Å²	50.9	38%	0.383	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.7	164.2	-65.8	-177.6	129.2	0	0	108.9	D173 K175 L212	D173-E215 PolarHBondContact N-O 3.21Å; D173-E215 PolarHBondContact O-N 3.36Å; K175-E215 WeakPolarHBondContact CE-OE2 3.33Å; K175-E215 IonicContact NZ-OE2 3.86Å; K175-E215 PolarHBondContact NZ-OE2 3.01Å; L212-E215 HydrophobicContact CD1-CG 4.04Å; L212-E215 HydrophobicContact CD2-CG 3.81Å; L212-E215 HydrophobicContact CG-CG 4.26Å
216	A	98.8	Very high	95.3	Very high	8 Å²	8	56 Å²	56	7%	0.066	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	151.6	177.8	0	0	0	0	0	112.3	I151 N171 I172 C202	I151-A216 HydrophobicContact CD1-CB 4.22Å; I151-A216 HydrophobicContact CG2-CB 3.88Å; N171-A216 CarbonylContact O-C 3.55Å; N171-A216 WeakPolarHBondContact O-CA 3.47Å; N171-A216 VanDerWaalsContact O-CB 3.26Å; N171-A216 WeakPolarHBondContact O-CB 3.49Å; I172-A216 HydrophobicContact CB-CB 4.45Å; I172-A216 HydrophobicContact CG1-CB 4.04Å; I172-A216 HydrophobicContact CG2-CB 4.49Å; C202-A216 HydrophobicContact CB-CB 4.22Å; C202-A216 PolarHBondContact N-O 3.31Å; C202-A216 PolarHBondContact O-N 2.92Å
217	T	98.8	Very high	94.3	Very high	77 Å²	77	61.7 Å²	61.7	47%	0.472	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.5	166.3	58.7	0	0	0	0	108.8	N171 V200	N171-T217 PolarHBondContact N-O 3.05Å; N171-T217 PolarHBondContact O-N 3.25Å; V200-T217 CarbonylContact O-C 3.55Å; V200-T217 WeakPolarHBondContact O-CA 3.18Å
218	A	98.8	Very high	93.1	Very high	5 Å²	5	66.3 Å²	66.3	4%	0.041	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.6	176.6	0	0	0	0	0	110.7	T155 N169 L170 V200 F220	T155-A218 HydrophobicContact CG2-CB 4.44Å; N169-A218 CarbonylContact O-C 3.59Å; N169-A218 VanDerWaalsContact O-CA 3.31Å; N169-A218 WeakPolarHBondContact O-CA 3.36Å; L170-A218 HydrophobicContact CD1-CB 3.91Å; V200-A218 HydrophobicContact CB-CB 4.44Å; V200-A218 PolarHBondContact N-O 3.4Å; V200-A218 PolarHBondContact O-N 3.13Å; A218-F220 HydrophobicContact CB-CD2 4.16Å; A218-F220 HydrophobicContact CB-CE2 3.56Å; A218-F220 HydrophobicContact CB-CZ 4.45Å
219	L	98.8	Very high	92	Very high	35 Å²	35	65.3 Å²	65.3	18%	0.183	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123	170	173	62.2	0	0	0	108.2	A168 N169 K197 L198 F199	A168-L219 HydrophobicContact CB-CD2 4.27Å; A168-L219 HydrophobicContact CB-CG 4.17Å; A168-L219 PolarHBondContact N-O 3.39Å; N169-L219 HydrophobicContact CB-CB 3.99Å; N169-L219 PolarHBondContact N-O 3.06Å; N169-L219 VanDerWaalsContact N-O 3.15Å; N169-L219 PolarHBondContact O-N 3.2Å; K197-L219 HydrophobicContact CB-CD1 3.74Å; K197-L219 HydrophobicContact CD-CD1 4.44Å; K197-L219 HydrophobicContact CG-CD1 4.12Å; L198-L219 WeakPolarHBondContact O-CA 3.48Å; F199-L219 HydrophobicContact CD1-CD1 4.03Å; F199-L219 HydrophobicContact CE1-CD1 3.86Å; F199-L219 HydrophobicContact CE2-CD1 4.45Å; F199-L219 HydrophobicContact CG-CD1 4.42Å; F199-L219 HydrophobicContact CZ-CD1 4.09Å
220	F	98.5	Very high	90.3	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.3	170	-70.2	-96.1	0	0	0	110.1	T155 G156 A159 A165 M166 T167 K197 L198 V200 A218	T155-F220 WeakPolarHBondContact OG1-CE2 3.19Å; T155-F220 WeakPolarHBondContact OG1-CZ 3.42Å; G156-F220 VanDerWaalsContact N-CZ 3.26Å; A159-F220 HydrophobicContact CB-CB 3.67Å; A159-F220 HydrophobicContact CB-CD1 3.92Å; A159-F220 HydrophobicContact CB-CD2 3.77Å; A159-F220 HydrophobicContact CB-CE2 4.44Å; A159-F220 HydrophobicContact CB-CG 3.49Å; A159-F220 VanDerWaalsContact CB-CG 3.49Å; A165-F220 HydrophobicContact CB-CB 4.07Å; M166-F220 WeakPolarHBondContact O-CA 3.43Å; T167-F220 HydrophobicContact CG2-CE1 4.2Å; T167-F220 HydrophobicContact CG2-CZ 4.16Å; T167-F220 WeakPolarHBondContact OG1-CE1 3.3Å; K197-F220 CarbonylContact C-O 3.58Å; K197-F220 WeakPolarHBondContact CA-O 3.41Å; L198-F220 HydrophobicContact CB-CB 4.19Å; L198-F220 PolarHBondContact N-O 3.17Å; L198-F220 PolarHBondContact O-N 3.29Å; V200-F220 HydrophobicContact CG2-CD2 4Å; V200-F220 HydrophobicContact CG2-CE2 4.39Å; A218-F220 HydrophobicContact CB-CD2 4.16Å; A218-F220 HydrophobicContact CB-CE2 3.56Å; A218-F220 HydrophobicContact CB-CZ 4.45Å
221	V	97.3	Very high	89.9	Confident	38 Å²	38	61.3 Å²	61.3	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.7	174.6	178.8	0	0	0	0	109	A165 M166 A168 R196 L223	A165-V221 VanDerWaalsContact CA-O 3.3Å; A165-V221 WeakPolarHBondContact CA-O 3.31Å; M166-V221 PolarHBondContact N-O 3.31Å; M166-V221 PolarHBondContact O-N 3.02Å; A168-V221 HydrophobicContact CB-CG2 3.78Å; R196-V221 HydrophobicContact CB-CG1 4.26Å; R196-V221 CarbonylContact O-C 3.52Å; R196-V221 WeakPolarHBondContact O-CA 3.44Å; V221-L223 PolarHBondContact O-N 2.89Å
222	K	94.6	Very high	89.4	Confident	49 Å²	49	62.5 Å²	62.5	21%	0.213	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	130	173.3	-66.4	-171.6	-174.8	-174	0	109.7	E162 V164 A165 R196 L198	E162-K222 VanDerWaalsContact O-CE 3.26Å; E162-K222 WeakPolarHBondContact O-CE 3.32Å; E162-K222 PolarHBondContact O-NZ 3.41Å; V164-K222 CarbonylContact O-C 3.52Å; V164-K222 WeakPolarHBondContact O-CA 3.24Å; A165-K222 HydrophobicContact CB-CG 4.33Å; R196-K222 HydrophobicContact CB-CB 4.22Å; R196-K222 PolarHBondContact NH1-O 2.96Å; R196-K222 PolarHBondContact O-N 3.01Å; L198-K222 HydrophobicContact CD1-CD 4.47Å; L198-K222 HydrophobicContact CD1-CG 3.97Å; L198-K222 HydrophobicContact CG-CG 4.36Å
223	L	90.5	Very high	88.9	Confident	29 Å²	29	62.9 Å²	62.9	15%	0.152	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-69.2	141	176.2	-60.5	-171.1	0	0	0	109.9	F81 F85 V164 M166 V221 L229	F81-L223 HydrophobicContact CE2-CD1 4Å; F81-L223 HydrophobicContact CZ-CD1 4.18Å; F85-L223 HydrophobicContact CB-CD1 4.15Å; F85-L223 HydrophobicContact CD1-CB 3.79Å; F85-L223 HydrophobicContact CD1-CD1 3.72Å; F85-L223 HydrophobicContact CD1-CG 4.41Å; F85-L223 HydrophobicContact CD2-CD1 4.29Å; F85-L223 HydrophobicContact CE1-CB 3.44Å; F85-L223 VanDerWaalsContact CE1-CB 3.44Å; F85-L223 HydrophobicContact CE1-CD1 4.15Å; F85-L223 HydrophobicContact CE1-CG 4.46Å; F85-L223 HydrophobicContact CG-CD1 3.79Å; F85-L223 HydrophobicContact CZ-CB 4.02Å; V164-L223 HydrophobicContact CG1-CB 4.48Å; V164-L223 HydrophobicContact CG1-CD1 3.87Å; V164-L223 HydrophobicContact CG1-CG 4.25Å; V164-L223 PolarHBondContact O-N 3.19Å; M166-L223 HydrophobicContact CB-CD2 4.31Å; M166-L223 HydrophobicContact CG-CD1 4.04Å; M166-L223 HydrophobicContact CG-CD2 3.74Å; M166-L223 HydrophobicContact CG-CG 4.11Å; V221-L223 PolarHBondContact O-N 2.89Å; L223-L229 HydrophobicContact CD1-CD1 4.11Å; L223-L229 HydrophobicContact CD1-CD2 4.26Å; L223-L229 HydrophobicContact CD1-CG 4.39Å; L223-L229 HydrophobicContact CD2-CD2 3.84Å
224	D	85.9	Confident	88.3	Confident	41 Å²	41	65 Å²	65	22%	0.219	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-81.8	116.3	173.1	-179.2	-13.3	0	0	0	107.5	F85 D226 K227	F85-D224 WeakPolarHBondContact CE1-O 3.45Å; D224-D226 PolarHBondContact O-N 2.84Å; D224-D226 PolarHBondContact OD1-N 3.07Å; D224-D226 VanDerWaalsContact OD1-N 3.11Å; D224-K227 HydrophobicContact CB-CB 4.11Å; D224-K227 HydrophobicContact CB-CD 4.18Å; D224-K227 HydrophobicContact CB-CG 4.14Å; D224-K227 PolarHBondContact O-N 3.2Å; D224-K227 WeakPolarHBondContact OD2-CD 3.37Å; D224-K227 VanDerWaalsContact OD2-CE 3.24Å; D224-K227 WeakPolarHBondContact OD2-CE 3.21Å; D224-K227 IonicContact OD2-NZ 3.84Å
225	P	78.4	Confident	87.7	Confident	75 Å²	75	69 Å²	69	49%	0.487	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.7	-176	26.3	-35	0	0	0	113.4	F85	F85-P225 HydrophobicContact CZ-CB 4.44Å
226	D	81	Confident	87	Confident	150 Å²	150	68.1 Å²	68.1	80%	0.802	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.8	-179.7	-59	-38	0	0	0	112.8	D224	D224-D226 PolarHBondContact O-N 2.84Å; D224-D226 PolarHBondContact OD1-N 3.07Å; D224-D226 VanDerWaalsContact OD1-N 3.11Å
227	K	76.8	Confident	86.1	Confident	132 Å²	132	72.4 Å²	72.4	57%	0.574	38%	0.379	S	S	*	.	S	Bend	trans	-120.4	122.5	-179.9	-62.6	-175.8	-176.5	178.2	0	111.6	D224	D224-K227 HydrophobicContact CB-CB 4.11Å; D224-K227 HydrophobicContact CB-CD 4.18Å; D224-K227 HydrophobicContact CB-CG 4.14Å; D224-K227 PolarHBondContact O-N 3.2Å; D224-K227 WeakPolarHBondContact OD2-CD 3.37Å; D224-K227 VanDerWaalsContact OD2-CE 3.24Å; D224-K227 WeakPolarHBondContact OD2-CE 3.21Å; D224-K227 IonicContact OD2-NZ 3.84Å
228	R	74.1	Confident	85.1	Confident	149 Å²	149	72.1 Å²	72.1	56%	0.562	37%	0.372	S	S	*	.			trans	-69.6	146.9	169.1	-66.6	-175	178.2	178.3	-0.2	110.5	T230	R228-T230 PolarHBondContact O-N 2.87Å
229	L	72.4	Confident	84	Confident	66 Å²	66	77.7 Å²	77.7	35%	0.346	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-68.9	107	163.4	-60.2	169	0	0	0	106.7	F81 F85 L223	F81-L229 HydrophobicContact CZ-CD1 4.26Å; F85-L229 HydrophobicContact CB-CD1 4.15Å; F85-L229 HydrophobicContact CB-CG 4.31Å; F85-L229 VanDerWaalsContact O-CB 3.22Å; F85-L229 WeakPolarHBondContact O-CB 3.22Å; F85-L229 WeakPolarHBondContact O-CG 3.46Å; F85-L229 PolarHBondContact O-N 3.44Å; L223-L229 HydrophobicContact CD1-CD1 4.11Å; L223-L229 HydrophobicContact CD1-CD2 4.26Å; L223-L229 HydrophobicContact CD1-CG 4.39Å; L223-L229 HydrophobicContact CD2-CD2 3.84Å
230	T	59.8	Low	82.7	Confident	164 Å²	164	81.5 Å²	81.5	100%	1.006	42%	0.419	S	S	*	.			trans	-86.8	0	176.2	53.1	0	0	0	0	111.4	R228	R228-T230 PolarHBondContact O-N 2.87Å

Retrieved 230 of 230 residues in 252.7 ms (Link to these results)

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