A0A3B3V617_9TELE Loading...

NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A3B3V617, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 208 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	36.1	Very low	34.3	Very low	248 Å²	248	172.5 Å²	172.5	100%	1.222	89%	0.892	S	S	*	*				0	133.7	0	-141.1	176.3	-175.2	0	0	106.8
2	A	35.2	Very low	34	Very low	105 Å²	105	167.8 Å²	167.8	87%	0.868	89%	0.885	S	S	*	*			trans	86.4	106.4	-175.9	0	0	0	0	0	117.1
3	A	33.9	Very low	33.9	Very low	105 Å²	105	172.2 Å²	172.2	87%	0.868	88%	0.883	S	S	*	*				-177.5	105.2	122.9	0	0	0	0	0	108.5
4	T	40.1	Very low	34.1	Very low	130 Å²	130	169.4 Å²	169.4	80%	0.798	88%	0.878	S	S	*	*			trans	-69.3	136.8	168.7	44.5	0	0	0	0	110.7
5	F	32.3	Very low	34	Very low	210 Å²	210	162.8 Å²	162.8	92%	0.921	87%	0.868	S	S	*	*			trans	-154.5	138.8	140.8	-110.3	-80.7	0	0	0	111.1
6	R	35.1	Very low	34	Very low	231 Å²	231	161.9 Å²	161.9	87%	0.872	87%	0.871	S	S	*	*			trans	-63.7	142	-165	-65.5	167.2	170.5	179.8	-4.5	113.9
7	Y	31.8	Very low	34	Very low	222 Å²	222	162.6 Å²	162.6	87%	0.871	87%	0.873	S	S	*	*			trans	-126.3	120.3	157.5	-131.2	-95.8	0	0	0	109
8	L	34	Very low	34.4	Very low	167 Å²	167	158.8 Å²	158.8	87%	0.874	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-76.3	121.7	176.5	-72.7	166	0	0	0	108.8
9	Y	32.4	Very low	34.7	Very low	228 Å²	228	155.5 Å²	155.5	89%	0.894	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-72.6	125.1	175.5	-102	-100.2	0	0	0	110.5
10	S	31.6	Very low	35.1	Very low	114 Å²	114	152.5 Å²	152.5	80%	0.797	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-87.6	130.9	165.1	61.1	0	0	0	0	110.1
11	V	34.8	Very low	35.2	Very low	137 Å²	137	154.1 Å²	154.1	83%	0.83	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-80.7	120.9	177.9	173.3	0	0	0	0	109.1
12	S	31.1	Very low	35.4	Very low	116 Å²	116	147.7 Å²	147.7	81%	0.811	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-100.4	124.3	168.4	174	0	0	0	0	109.5
13	R	32.5	Very low	35.7	Very low	225 Å²	225	153.5 Å²	153.5	85%	0.849	83%	0.834	S	S	*	*			trans	-106.1	113.6	166	-107.9	-174.5	-178.9	-162.8	0.6	109.6
14	T	36.8	Very low	35.8	Very low	134 Å²	134	153.5 Å²	153.5	82%	0.822	83%	0.828	S	S	*	*			trans	32.4	105.6	143.5	57.8	0	0	0	0	118.9
15	G	32.3	Very low	35.8	Very low	70 Å²	70	156.5 Å²	156.5	72%	0.722	83%	0.831	S	S	*	*			trans	-144.1	109.5	159.7	0	0	0	0	0	110.4
16	T	34.5	Very low	36.3	Very low	149 Å²	149	150.7 Å²	150.7	91%	0.914	82%	0.816	S	S	*	*			trans	20	130	151.8	30.5	0	0	0	0	121.1
17	L	33.8	Very low	36.7	Very low	173 Å²	173	146 Å²	146	91%	0.906	81%	0.813	S	S	*	*			trans	-55.6	131.9	176.5	-72.6	157.6	0	0	0	115.1
18	A	41.4	Very low	37.6	Very low	94 Å²	94	139.3 Å²	139.3	78%	0.777	80%	0.798	S	S	*	*			trans	52.8	90.9	133.2	0	0	0	0	0	119.2
19	A	39.1	Very low	38.3	Very low	97 Å²	97	137 Å²	137	80%	0.802	79%	0.791	S	S	*	*				-127.7	108.8	125.8	0	0	0	0	0	106.2	Q21	A19-Q21 VanDerWaalsContact C-N 3.28Å; A19-Q21 PolarHBondContact O-N 3.32Å
20	A	42.7	Very low	39.5	Very low	95 Å²	95	133.2 Å²	133.2	79%	0.785	78%	0.781	S	S	*	*			trans	-62.5	92.9	175.1	0	0	0	0	0	108.6	V22	A20-V22 PolarHBondContact O-N 3.3Å
21	Q	38.8	Very low	40.7	Very low	187 Å²	187	138 Å²	138	87%	0.874	78%	0.782	S	S	*	*			trans	-66.2	83.3	151.3	-92.9	176	-17.9	0	0	105.7	A19 R23	A19-Q21 VanDerWaalsContact C-N 3.28Å; A19-Q21 PolarHBondContact O-N 3.32Å; Q21-R23 PolarHBondContact O-N 2.89Å
22	V	40	Very low	42.1	Very low	113 Å²	113	136.8 Å²	136.8	69%	0.685	77%	0.771	S	S	*	*			trans	-46.3	105.4	149.3	178.3	0	0	0	0	103.4	A20 S24	A20-V22 PolarHBondContact O-N 3.3Å; V22-S24 PolarHBondContact O-N 3.08Å
23	R	39.7	Very low	44.3	Very low	226 Å²	226	135.1 Å²	135.1	85%	0.853	77%	0.772	S	S	*	*			trans	-55.1	104.5	160.7	-81.3	-174.1	175.9	-164.9	-1	102.7	Q21 F25	Q21-R23 PolarHBondContact O-N 2.89Å; R23-F25 PolarHBondContact O-N 2.88Å
24	S	36.5	Very low	46.7	Very low	106 Å²	106	130.4 Å²	130.4	74%	0.741	76%	0.758	S	S	*	*			trans	-50.9	105.8	166.9	-62.6	0	0	0	0	103.9	V22 S26	V22-S24 PolarHBondContact O-N 3.08Å; S24-S26 PolarHBondContact O-N 3.05Å
25	F	40.4	Very low	49.1	Very low	192 Å²	192	133 Å²	133	84%	0.842	76%	0.758	S	S	*	*			trans	-53.8	101.8	158.3	-102.2	-93	0	0	0	102.7	R23 V27	R23-F25 PolarHBondContact O-N 2.88Å; F25-V27 HydrophobicContact CB-CG2 4.42Å; F25-V27 PolarHBondContact O-N 3.4Å
26	S	41.9	Very low	51.7	Low	88 Å²	88	137.4 Å²	137.4	62%	0.615	75%	0.754	S	S	*	*			trans	-61.1	86.8	165.8	153.5	0	0	0	0	104.7	S24 S28	S24-S26 PolarHBondContact O-N 3.05Å; S26-S28 PolarHBondContact O-N 3.26Å; S26-S28 PolarHBondContact OG-OG 3.29Å; S26-S28 VanDerWaalsContact OG-OG 3.06Å
27	V	45.3	Very low	54.3	Low	133 Å²	133	136.6 Å²	136.6	81%	0.806	75%	0.748	S	S	*	*			trans	-71.7	63.9	159.8	-174.5	0	0	0	0	106	F25	F25-V27 HydrophobicContact CB-CG2 4.42Å; F25-V27 PolarHBondContact O-N 3.4Å
28	S	50.4	Low	56.9	Low	81 Å²	81	135.2 Å²	135.2	57%	0.566	74%	0.742	S	S	*	*			trans	-128.8	62.2	155.9	69.4	0	0	0	0	105.9	S26 Q30	S26-S28 PolarHBondContact O-N 3.26Å; S26-S28 PolarHBondContact OG-OG 3.29Å; S26-S28 VanDerWaalsContact OG-OG 3.06Å; S28-Q30 PolarHBondContact O-N 3.05Å
29	V	48.9	Very low	59	Low	118 Å²	118	134.3 Å²	134.3	72%	0.715	74%	0.735	S	S	*	*			trans	-58.2	94.9	146.8	175	0	0	0	0	104.2	R31	V29-R31 HydrophobicContact CG1-CG 4.09Å; V29-R31 PolarHBondContact O-N 2.83Å
30	Q	56.6	Low	61.3	Low	149 Å²	149	137.7 Å²	137.7	70%	0.696	73%	0.733	S	S	*	*			trans	-62.8	98.5	162.6	-78.9	-142.9	-43.9	0	0	105.7	S28 N32	S28-Q30 PolarHBondContact O-N 3.05Å; Q30-N32 HydrophobicContact CB-CB 4.26Å; Q30-N32 PolarHBondContact NE2-ND2 2.75Å; Q30-N32 PolarHBondContact O-N 3.48Å; Q30-N32 PolarHBondContact OE1-ND2 2.78Å
31	R	56.5	Low	63.3	Low	216 Å²	216	142.4 Å²	142.4	82%	0.815	74%	0.739	S	S	*	*			trans	-67	65.7	163.6	-72.6	-176.9	171.8	176.8	-3	108.2	V29	V29-R31 HydrophobicContact CG1-CG 4.09Å; V29-R31 PolarHBondContact O-N 2.83Å
32	N	65.8	Low	65.7	Low	111 Å²	111	139.4 Å²	139.4	59%	0.594	73%	0.729	S	S	*	*			trans	-111.6	60.3	-177.6	-73.7	1.1	0	0	0	109.8	Q30	Q30-N32 HydrophobicContact CB-CB 4.26Å; Q30-N32 PolarHBondContact NE2-ND2 2.75Å; Q30-N32 PolarHBondContact O-N 3.48Å; Q30-N32 PolarHBondContact OE1-ND2 2.78Å
33	G	76.8	Confident	68.1	Low	81 Å²	81	137.9 Å²	137.9	84%	0.835	72%	0.721	S	S	*	*			trans	-96.4	8.7	174.1	0	0	0	0	0	113.9
34	F	83.1	Confident	70.4	Confident	125 Å²	125	133.1 Å²	133.1	55%	0.548	72%	0.717	S	S	.	*	S	Bend	trans	-144.8	140.6	179.7	64.5	-73.6	0	0	0	110.1	Y36	F34-Y36 HydrophobicContact CD2-CD2 4.29Å; F34-Y36 HydrophobicContact CD2-CE1 4.3Å; F34-Y36 AromaticContact CD2-CE2 4Å; F34-Y36 HydrophobicContact CD2-CE2 4Å; F34-Y36 HydrophobicContact CE2-CD1 4.18Å; F34-Y36 AromaticContact CE2-CD2 3.99Å; F34-Y36 HydrophobicContact CE2-CD2 3.99Å; F34-Y36 AromaticContact CE2-CE1 3.52Å; F34-Y36 HydrophobicContact CE2-CE1 3.52Å; F34-Y36 AromaticContact CE2-CE2 3.28Å; F34-Y36 HydrophobicContact CE2-CE2 3.28Å; F34-Y36 HydrophobicContact CE2-CG 4.41Å; F34-Y36 AromaticContact CE2-CZ 3.04Å; F34-Y36 WeakPolarHBondContact CE2-OH 3.45Å; F34-Y36 HydrophobicContact CZ-CE1 4.38Å; F34-Y36 AromaticContact CZ-CE2 3.66Å; F34-Y36 HydrophobicContact CZ-CE2 3.66Å; F34-Y36 AromaticContact CZ-CZ 3.51Å; F34-Y36 WeakPolarHBondContact CZ-OH 3.47Å
35	K	87.4	Confident	73.2	Confident	188 Å²	188	132.6 Å²	132.6	82%	0.817	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-99.1	117.6	176.9	-179.4	179.8	179.3	-179.1	0	108.2	V37	K35-V37 PolarHBondContact O-N 2.99Å
36	Y	86.1	Confident	75.7	Confident	163 Å²	163	129.8 Å²	129.8	64%	0.639	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-67.6	116.5	168.9	-66.8	-87.1	0	0	0	109.4	F34 A39	F34-Y36 HydrophobicContact CD2-CD2 4.29Å; F34-Y36 HydrophobicContact CD2-CE1 4.3Å; F34-Y36 AromaticContact CD2-CE2 4Å; F34-Y36 HydrophobicContact CD2-CE2 4Å; F34-Y36 HydrophobicContact CE2-CD1 4.18Å; F34-Y36 AromaticContact CE2-CD2 3.99Å; F34-Y36 HydrophobicContact CE2-CD2 3.99Å; F34-Y36 AromaticContact CE2-CE1 3.52Å; F34-Y36 HydrophobicContact CE2-CE1 3.52Å; F34-Y36 AromaticContact CE2-CE2 3.28Å; F34-Y36 HydrophobicContact CE2-CE2 3.28Å; F34-Y36 HydrophobicContact CE2-CG 4.41Å; F34-Y36 AromaticContact CE2-CZ 3.04Å; F34-Y36 WeakPolarHBondContact CE2-OH 3.45Å; F34-Y36 HydrophobicContact CZ-CE1 4.38Å; F34-Y36 AromaticContact CZ-CE2 3.66Å; F34-Y36 HydrophobicContact CZ-CE2 3.66Å; F34-Y36 AromaticContact CZ-CZ 3.51Å; F34-Y36 WeakPolarHBondContact CZ-OH 3.47Å; Y36-A39 HydrophobicContact CG-CB 4.45Å
37	V	90	Very high	78.1	Confident	132 Å²	132	132.8 Å²	132.8	80%	0.8	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	129.7	174.7	-178.2	0	0	0	0	108	K35 A39	K35-V37 PolarHBondContact O-N 2.99Å; V37-A39 VanDerWaalsContact C-N 3.32Å; V37-A39 PolarHBondContact O-N 3.04Å
38	N	88.4	Confident	80.3	Confident	145 Å²	145	127.6 Å²	127.6	78%	0.775	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.2	25.4	177.7	-157.1	27.7	0	0	0	115.8	Q40	N38-Q40 PolarHBondContact O-N 2.87Å; N38-Q40 VanDerWaalsContact O-N 3.09Å
39	A	85.1	Confident	82.3	Confident	75 Å²	75	127.1 Å²	127.1	62%	0.62	66%	0.659	S	S	*	*			trans	-84.6	54.2	172.3	0	0	0	0	0	111.7	Y36 V37	Y36-A39 HydrophobicContact CG-CB 4.45Å; V37-A39 VanDerWaalsContact C-N 3.32Å; V37-A39 PolarHBondContact O-N 3.04Å
40	Q	85.9	Confident	84.5	Confident	167 Å²	167	125 Å²	125	78%	0.78	65%	0.647	S	S	*	*			trans	-119.1	128.9	178.9	-67.5	179.9	-10.7	0	0	109.4	N38	N38-Q40 PolarHBondContact O-N 2.87Å; N38-Q40 VanDerWaalsContact O-N 3.09Å
41	E	86.3	Confident	86.2	Confident	194 Å²	194	123.1 Å²	123.1	91%	0.907	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-76.7	140.2	173.6	-64.7	-178.6	-177	0	0	110.1
42	L	87.6	Confident	87.9	Confident	124 Å²	124	116.8 Å²	116.8	65%	0.649	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-79.5	135	-178.6	-65	168.8	0	0	0	110.6
43	P	90.3	Very high	89.2	Confident	81 Å²	81	114.4 Å²	114.4	53%	0.526	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-68.3	141.8	177.9	27.2	-33.4	0	0	0	111.5	S48 R52	P43-S48 PolarHBondContact O-OG 2.66Å; P43-R52 PolarHBondContact O-NH2 2.75Å
44	T	89.2	Confident	90.1	Very high	126 Å²	126	112.3 Å²	112.3	77%	0.773	58%	0.584	S	S	*	*			trans	-98.9	14.5	-178.5	51	0	0	0	0	114.1	I49	T44-I49 WeakPolarHBondContact O-CD1 3.2Å
45	D	94.9	Very high	90.6	Very high	95 Å²	95	110 Å²	110	51%	0.508	58%	0.575	S	S	.	*			trans	-65.1	147.9	176.9	-171	18.4	0	0	0	111.5	K47 S48 I49	D45-K47 PolarHBondContact O-N 2.95Å; D45-S48 PolarHBondContact N-OG 3.28Å; D45-S48 PolarHBondContact O-N 3.46Å; D45-S48 VanDerWaalsContact O-N 3.16Å; D45-S48 PolarHBondContact O-OG 3.48Å; D45-I49 WeakPolarHBondContact O-CG1 3.17Å; D45-I49 PolarHBondContact O-N 3.08Å
46	M	92.1	Very high	90.9	Very high	134 Å²	134	105.7 Å²	105.7	66%	0.66	57%	0.565	S	S	*	*	H	α-helix	trans	-58.4	-38	-178	-173.4	62.5	70.5	0	0	111	I49 T50	M46-I49 PolarHBondContact O-N 3.21Å; M46-T50 WeakPolarHBondContact O-CG2 3.38Å; M46-T50 PolarHBondContact O-N 3.38Å; M46-T50 PolarHBondContact O-OG1 2.82Å; M46-T50 VanDerWaalsContact O-OG1 3.09Å
47	K	93.2	Very high	91.3	Very high	151 Å²	151	104.5 Å²	104.5	66%	0.657	57%	0.569	S	S	*	*	H	α-helix	trans	-63	-47.5	176.7	-66.5	178.5	179.8	175.9	0	112.6	D45 I49 T50 D51	D45-K47 PolarHBondContact O-N 2.95Å; K47-I49 VanDerWaalsContact C-N 3.3Å; K47-I49 PolarHBondContact O-N 2.69Å; K47-T50 WeakPolarHBondContact CA-OG1 3.3Å; K47-T50 PolarHBondContact O-N 3.09Å; K47-T50 PolarHBondContact O-OG1 2.84Å; K47-D51 WeakPolarHBondContact O-CB 3.35Å; K47-D51 VanDerWaalsContact O-CG 3.22Å; K47-D51 PolarHBondContact O-N 3.2Å
48	S	90.8	Very high	91.6	Very high	23 Å²	23	103.7 Å²	103.7	16%	0.161	56%	0.559	C	S	.	*	H	α-helix	trans	-69.8	-28.7	-179.4	68.5	0	0	0	0	112.3	P43 D45 R52	P43-S48 PolarHBondContact O-OG 2.66Å; D45-S48 PolarHBondContact N-OG 3.28Å; D45-S48 PolarHBondContact O-N 3.46Å; D45-S48 VanDerWaalsContact O-N 3.16Å; D45-S48 PolarHBondContact O-OG 3.48Å; S48-R52 WeakPolarHBondContact O-CB 3.38Å; S48-R52 VanDerWaalsContact O-CG 3.26Å; S48-R52 WeakPolarHBondContact O-CG 3.49Å; S48-R52 PolarHBondContact O-N 2.93Å; S48-R52 PolarHBondContact O-NE 3.3Å
49	I	93.4	Very high	92	Very high	71 Å²	71	104.1 Å²	104.1	36%	0.364	55%	0.55	S	S	.	*	H	α-helix	trans	-69	-49.5	172.6	-65.5	167.3	0	0	0	109.9	T44 D45 M46 K47 D51 R52 S53	T44-I49 WeakPolarHBondContact O-CD1 3.2Å; D45-I49 WeakPolarHBondContact O-CG1 3.17Å; D45-I49 PolarHBondContact O-N 3.08Å; M46-I49 PolarHBondContact O-N 3.21Å; K47-I49 VanDerWaalsContact C-N 3.3Å; K47-I49 PolarHBondContact O-N 2.69Å; I49-D51 VanDerWaalsContact C-N 3.34Å; I49-D51 PolarHBondContact O-N 3.2Å; I49-R52 PolarHBondContact O-N 3.01Å; I49-S53 PolarHBondContact O-N 2.91Å; I49-S53 PolarHBondContact O-OG 3.16Å
50	T	94.9	Very high	92.5	Very high	74 Å²	74	104 Å²	104	45%	0.454	54%	0.541	S	S	.	.	H	α-helix	trans	-62.6	-39	179.2	50.8	0	0	0	0	112.6	M46 K47 S53 A54	M46-T50 WeakPolarHBondContact O-CG2 3.38Å; M46-T50 PolarHBondContact O-N 3.38Å; M46-T50 PolarHBondContact O-OG1 2.82Å; M46-T50 VanDerWaalsContact O-OG1 3.09Å; K47-T50 WeakPolarHBondContact CA-OG1 3.3Å; K47-T50 PolarHBondContact O-N 3.09Å; K47-T50 PolarHBondContact O-OG1 2.84Å; T50-S53 PolarHBondContact O-N 3.49Å; T50-A54 WeakPolarHBondContact O-CB 3.49Å; T50-A54 PolarHBondContact O-N 3.01Å
51	D	93	Very high	92.9	Very high	109 Å²	109	99.5 Å²	99.5	58%	0.583	52%	0.52	S	S	*	.	H	α-helix	trans	-65.3	-40.3	177.6	-71.1	-17.6	0	0	0	111.8	K47 I49 A54 Q55	K47-D51 WeakPolarHBondContact O-CB 3.35Å; K47-D51 VanDerWaalsContact O-CG 3.22Å; K47-D51 PolarHBondContact O-N 3.2Å; I49-D51 VanDerWaalsContact C-N 3.34Å; I49-D51 PolarHBondContact O-N 3.2Å; D51-A54 PolarHBondContact O-N 3.22Å; D51-Q55 WeakPolarHBondContact O-CB 3.14Å; D51-Q55 PolarHBondContact O-N 3.49Å
52	R	91.7	Very high	93.4	Very high	84 Å²	84	95.4 Å²	95.4	32%	0.317	50%	0.504	S	S	.	.	H	α-helix	trans	-67.8	-39.6	175.3	-74.9	178	-68.3	-179.7	-7.7	112.4	P43 S48 I49 Q55 T56	P43-R52 PolarHBondContact O-NH2 2.75Å; S48-R52 WeakPolarHBondContact O-CB 3.38Å; S48-R52 VanDerWaalsContact O-CG 3.26Å; S48-R52 WeakPolarHBondContact O-CG 3.49Å; S48-R52 PolarHBondContact O-N 2.93Å; S48-R52 PolarHBondContact O-NE 3.3Å; I49-R52 PolarHBondContact O-N 3.01Å; R52-Q55 WeakPolarHBondContact O-CB 3.3Å; R52-Q55 PolarHBondContact O-N 3.07Å; R52-T56 WeakPolarHBondContact O-CB 3.39Å; R52-T56 PolarHBondContact O-N 3.18Å; R52-T56 PolarHBondContact O-OG1 3.15Å
53	S	93.5	Very high	93.9	Very high	60 Å²	60	95.9 Å²	95.9	42%	0.42	50%	0.501	S	S	.	.	H	α-helix	trans	-65	-41.1	174	-63.3	0	0	0	0	111.3	I49 T50 T56 L57	I49-S53 PolarHBondContact O-N 2.91Å; I49-S53 PolarHBondContact O-OG 3.16Å; T50-S53 PolarHBondContact O-N 3.49Å; S53-T56 PolarHBondContact O-N 2.94Å; S53-L57 WeakPolarHBondContact O-CG 3.28Å; S53-L57 PolarHBondContact O-N 3.35Å
54	A	94.7	Very high	94.2	Very high	37 Å²	37	101.8 Å²	101.8	31%	0.306	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-42.8	174.4	0	0	0	0	0	111.7	T50 D51 T56 L57 L58	T50-A54 WeakPolarHBondContact O-CB 3.49Å; T50-A54 PolarHBondContact O-N 3.01Å; D51-A54 PolarHBondContact O-N 3.22Å; A54-T56 VanDerWaalsContact C-N 3.3Å; A54-T56 PolarHBondContact O-N 3.47Å; A54-L57 PolarHBondContact O-N 3.23Å; A54-L58 VanDerWaalsContact O-CB 3.26Å; A54-L58 WeakPolarHBondContact O-CB 3.32Å; A54-L58 PolarHBondContact O-N 2.81Å
55	Q	93.6	Very high	94.5	Very high	76 Å²	76	97.6 Å²	97.6	36%	0.355	50%	0.495	S	S	.	.	H	α-helix	trans	-55.9	-46.2	172.6	-174.2	-175.2	-17.1	0	0	111.2	D51 R52 L57 W59 E61	D51-Q55 WeakPolarHBondContact O-CB 3.14Å; D51-Q55 PolarHBondContact O-N 3.49Å; R52-Q55 WeakPolarHBondContact O-CB 3.3Å; R52-Q55 PolarHBondContact O-N 3.07Å; Q55-L57 PolarHBondContact O-N 2.84Å; Q55-W59 WeakPolarHBondContact O-CA 3.38Å; Q55-W59 PolarHBondContact O-N 2.88Å; Q55-E61 HydrophobicContact CG-CG 4.37Å; Q55-E61 VanDerWaalsContact CG-OE1 3.29Å; Q55-E61 WeakPolarHBondContact CG-OE1 3.39Å; Q55-E61 WeakPolarHBondContact CG-OE2 3.43Å; Q55-E61 PolarHBondContact NE2-OE1 3.2Å
56	T	93.8	Very high	94.7	Very high	98 Å²	98	97.7 Å²	97.7	60%	0.601	50%	0.495	S	S	*	.	H	α-helix	trans	-66.7	-39	-178.3	-54.2	0	0	0	0	112.9	R52 S53 A54	R52-T56 WeakPolarHBondContact O-CB 3.39Å; R52-T56 PolarHBondContact O-N 3.18Å; R52-T56 PolarHBondContact O-OG1 3.15Å; S53-T56 PolarHBondContact O-N 2.94Å; A54-T56 VanDerWaalsContact C-N 3.3Å; A54-T56 PolarHBondContact O-N 3.47Å
57	L	95.9	Very high	94.9	Very high	139 Å²	139	93.2 Å²	93.2	73%	0.728	48%	0.483	S	S	*	.	H	α-helix	trans	-87.2	-34.6	-175.9	-67.2	173.6	0	0	0	113.6	S53 A54 Q55	S53-L57 WeakPolarHBondContact O-CG 3.28Å; S53-L57 PolarHBondContact O-N 3.35Å; A54-L57 PolarHBondContact O-N 3.23Å; Q55-L57 PolarHBondContact O-N 2.84Å
58	L	95.9	Very high	95.1	Very high	115 Å²	115	90.8 Å²	90.8	60%	0.602	48%	0.476	S	S	*	.	H	α-helix	trans	-105.5	-0.8	-173.4	-57.3	177.3	0	0	0	113.4	A54 T60	A54-L58 VanDerWaalsContact O-CB 3.26Å; A54-L58 WeakPolarHBondContact O-CB 3.32Å; A54-L58 PolarHBondContact O-N 2.81Å; L58-T60 HydrophobicContact CB-CG2 4.08Å; L58-T60 PolarHBondContact O-N 3.03Å; L58-T60 VanDerWaalsContact O-N 3.12Å
59	W	95.4	Very high	95.4	Very high	154 Å²	154	93.8 Å²	93.8	58%	0.583	49%	0.493	S	S	*	.			trans	51.4	37.8	176.4	-58.3	-26.4	0	0	0	114.2	Q55 E61 L62 F63	Q55-W59 WeakPolarHBondContact O-CA 3.38Å; Q55-W59 PolarHBondContact O-N 2.88Å; W59-E61 VanDerWaalsContact C-OE2 3.31Å; W59-E61 PolarHBondContact O-N 2.89Å; W59-L62 HydrophobicContact CB-CB 4.07Å; W59-L62 HydrophobicContact CB-CD1 3.81Å; W59-L62 HydrophobicContact CB-CG 4.03Å; W59-L62 HydrophobicContact CD2-CD1 4.19Å; W59-L62 HydrophobicContact CG-CD1 3.85Å; W59-L62 WeakPolarHBondContact O-CB 3.42Å; W59-L62 PolarHBondContact O-N 3.18Å; W59-F63 WeakPolarHBondContact O-CD2 3.5Å; W59-F63 PolarHBondContact O-N 2.83Å; W59-F63 VanDerWaalsContact O-N 3.15Å
60	T	95.3	Very high	95.6	Very high	71 Å²	71	95 Å²	95	44%	0.436	50%	0.498	S	S	.	.	H	α-helix	trans	-56.7	-35.6	-174.5	56.6	0	0	0	0	113.2	L58 R64	L58-T60 HydrophobicContact CB-CG2 4.08Å; L58-T60 PolarHBondContact O-N 3.03Å; L58-T60 VanDerWaalsContact O-N 3.12Å; T60-R64 WeakPolarHBondContact O-CB 3.37Å; T60-R64 PolarHBondContact O-N 2.77Å
61	E	96.1	Very high	95.7	Very high	73 Å²	73	93.6 Å²	93.6	34%	0.341	49%	0.491	S	S	.	.	H	α-helix	trans	-70.9	-31.9	175.9	73.3	-83.5	-137.5	0	0	112.9	Q55 W59 R64 G65	Q55-E61 HydrophobicContact CG-CG 4.37Å; Q55-E61 VanDerWaalsContact CG-OE1 3.29Å; Q55-E61 WeakPolarHBondContact CG-OE1 3.39Å; Q55-E61 WeakPolarHBondContact CG-OE2 3.43Å; Q55-E61 PolarHBondContact NE2-OE1 3.2Å; W59-E61 VanDerWaalsContact C-OE2 3.31Å; W59-E61 PolarHBondContact O-N 2.89Å; E61-R64 PolarHBondContact O-N 2.93Å; E61-G65 PolarHBondContact O-N 3.13Å
62	L	96.7	Very high	95.9	Very high	108 Å²	108	95.9 Å²	95.9	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-68.4	-44.7	175.3	-64.5	-174.7	0	0	0	109.8	W59 R64 G65 L66	W59-L62 HydrophobicContact CB-CB 4.07Å; W59-L62 HydrophobicContact CB-CD1 3.81Å; W59-L62 HydrophobicContact CB-CG 4.03Å; W59-L62 HydrophobicContact CD2-CD1 4.19Å; W59-L62 HydrophobicContact CG-CD1 3.85Å; W59-L62 WeakPolarHBondContact O-CB 3.42Å; W59-L62 PolarHBondContact O-N 3.18Å; L62-R64 VanDerWaalsContact C-N 3.33Å; L62-R64 PolarHBondContact O-N 3.47Å; L62-G65 PolarHBondContact O-N 2.79Å; L62-L66 WeakPolarHBondContact O-CB 3.26Å; L62-L66 PolarHBondContact O-N 3.44Å
63	F	96.7	Very high	96.2	Very high	134 Å²	134	98 Å²	98	59%	0.588	51%	0.509	S	S	*	.	H	α-helix	trans	-65.7	-35.4	174.4	-72.1	-68.8	0	0	0	112.4	W59 G65 L66 G67	W59-F63 WeakPolarHBondContact O-CD2 3.5Å; W59-F63 PolarHBondContact O-N 2.83Å; W59-F63 VanDerWaalsContact O-N 3.15Å; F63-G65 VanDerWaalsContact C-N 3.33Å; F63-G65 PolarHBondContact O-N 3.28Å; F63-L66 HydrophobicContact CD1-CD2 4.34Å; F63-L66 PolarHBondContact O-N 2.82Å; F63-G67 PolarHBondContact O-N 3.33Å
64	R	96.5	Very high	96.4	Very high	206 Å²	206	103.2 Å²	103.2	78%	0.777	53%	0.525	S	S	*	.	H	α-helix	trans	-61.4	-42	171.6	-165.3	-179	84.8	163.2	4.8	111.7	T60 E61 L62 G67 M68	T60-R64 WeakPolarHBondContact O-CB 3.37Å; T60-R64 PolarHBondContact O-N 2.77Å; E61-R64 PolarHBondContact O-N 2.93Å; L62-R64 VanDerWaalsContact C-N 3.33Å; L62-R64 PolarHBondContact O-N 3.47Å; R64-G67 PolarHBondContact O-N 2.86Å; R64-M68 PolarHBondContact O-N 3.05Å
65	G	97.3	Very high	96.5	Very high	37 Å²	37	107.2 Å²	107.2	38%	0.381	53%	0.532	S	S	.	.	H	α-helix	trans	-64.9	-43.9	174.7	0	0	0	0	0	112.7	E61 L62 F63 G67 M68 T69	E61-G65 PolarHBondContact O-N 3.13Å; L62-G65 PolarHBondContact O-N 2.79Å; F63-G65 VanDerWaalsContact C-N 3.33Å; F63-G65 PolarHBondContact O-N 3.28Å; G65-G67 VanDerWaalsContact C-N 3.3Å; G65-G67 PolarHBondContact O-N 3.39Å; G65-M68 WeakPolarHBondContact O-CA 3.24Å; G65-M68 WeakPolarHBondContact O-CB 3.35Å; G65-M68 PolarHBondContact O-N 2.96Å; G65-T69 PolarHBondContact O-N 3.48Å; G65-T69 VanDerWaalsContact O-N 3.07Å
66	L	97.5	Very high	96.7	Very high	97 Å²	97	112.3 Å²	112.3	51%	0.508	56%	0.556	S	S	.	*	H	α-helix	trans	-63.2	-36.6	176.4	-173.9	66.9	0	0	0	112	L62 F63 M68 T69 M70	L62-L66 WeakPolarHBondContact O-CB 3.26Å; L62-L66 PolarHBondContact O-N 3.44Å; F63-L66 HydrophobicContact CD1-CD2 4.34Å; F63-L66 PolarHBondContact O-N 2.82Å; L66-M68 VanDerWaalsContact C-N 3.29Å; L66-M68 PolarHBondContact O-N 3.06Å; L66-T69 WeakPolarHBondContact CA-OG1 3.48Å; L66-T69 PolarHBondContact O-N 3.19Å; L66-T69 PolarHBondContact O-OG1 3.26Å; L66-M70 WeakPolarHBondContact O-CB 3.45Å; L66-M70 PolarHBondContact O-N 3.37Å
67	G	97.6	Very high	96.8	Very high	41 Å²	41	112.1 Å²	112.1	42%	0.423	56%	0.556	S	S	.	*	H	α-helix	trans	-59.8	-39.1	171.6	0	0	0	0	0	112.2	F63 R64 G65 M70 S71	F63-G67 PolarHBondContact O-N 3.33Å; R64-G67 PolarHBondContact O-N 2.86Å; G65-G67 VanDerWaalsContact C-N 3.3Å; G65-G67 PolarHBondContact O-N 3.39Å; G67-M70 PolarHBondContact O-N 2.87Å; G67-S71 PolarHBondContact O-N 3.28Å
68	M	97.3	Very high	96.8	Very high	100 Å²	100	110.8 Å²	110.8	49%	0.493	57%	0.565	S	S	.	*	H	α-helix	trans	-66.7	-41.8	173.6	-97	-29	-63.2	0	0	112.7	R64 G65 L66 M70 S71 Y72	R64-M68 PolarHBondContact O-N 3.05Å; G65-M68 WeakPolarHBondContact O-CA 3.24Å; G65-M68 WeakPolarHBondContact O-CB 3.35Å; G65-M68 PolarHBondContact O-N 2.96Å; L66-M68 VanDerWaalsContact C-N 3.29Å; L66-M68 PolarHBondContact O-N 3.06Å; M68-M70 VanDerWaalsContact C-N 3.29Å; M68-M70 PolarHBondContact O-N 3.5Å; M68-S71 VanDerWaalsContact O-CB 3.31Å; M68-S71 WeakPolarHBondContact O-CB 2.94Å; M68-S71 PolarHBondContact O-N 3.48Å; M68-S71 VanDerWaalsContact O-N 3.15Å; M68-Y72 HydrophobicContact CE-CE2 4.41Å; M68-Y72 WeakPolarHBondContact O-CD2 3.48Å
69	T	96.9	Very high	96.9	Very high	85 Å²	85	110.7 Å²	110.7	52%	0.521	57%	0.57	S	S	.	*	H	α-helix	trans	-64.7	-37.8	176.3	56.1	0	0	0	0	111.3	G65 L66 S71 Y72	G65-T69 PolarHBondContact O-N 3.48Å; G65-T69 VanDerWaalsContact O-N 3.07Å; L66-T69 WeakPolarHBondContact CA-OG1 3.48Å; L66-T69 PolarHBondContact O-N 3.19Å; L66-T69 PolarHBondContact O-OG1 3.26Å; T69-S71 PolarHBondContact O-N 2.96Å; T69-Y72 WeakPolarHBondContact O-CB 3.22Å; T69-Y72 PolarHBondContact O-N 3.22Å
70	M	97.2	Very high	97	Very high	97 Å²	97	108 Å²	108	48%	0.478	57%	0.566	S	S	.	*	H	α-helix	trans	-61.5	-34	174.2	-169.3	64.5	71.7	0	0	111.8	L66 G67 M68 Y72 L73 F74	L66-M70 WeakPolarHBondContact O-CB 3.45Å; L66-M70 PolarHBondContact O-N 3.37Å; G67-M70 PolarHBondContact O-N 2.87Å; M68-M70 VanDerWaalsContact C-N 3.29Å; M68-M70 PolarHBondContact O-N 3.5Å; M70-Y72 PolarHBondContact O-N 3.45Å; M70-L73 VanDerWaalsContact O-CB 3.27Å; M70-L73 WeakPolarHBondContact O-CB 3.08Å; M70-L73 PolarHBondContact O-N 3.46Å; M70-L73 HydrophobicContact SD-CB 4.43Å; M70-L73 HydrophobicContact SD-CD2 3.76Å; M70-F74 HydrophobicContact CG-CE2 4.31Å
71	S	97.3	Very high	97.1	Very high	44 Å²	44	109.1 Å²	109.1	31%	0.308	57%	0.569	S	S	.	*	H	α-helix	trans	-60.8	-26.8	173.9	174.4	0	0	0	0	113.2	G67 M68 T69 L73	G67-S71 PolarHBondContact O-N 3.28Å; M68-S71 VanDerWaalsContact O-CB 3.31Å; M68-S71 WeakPolarHBondContact O-CB 2.94Å; M68-S71 PolarHBondContact O-N 3.48Å; M68-S71 VanDerWaalsContact O-N 3.15Å; T69-S71 PolarHBondContact O-N 2.96Å; S71-L73 VanDerWaalsContact C-N 3.34Å
72	Y	97.3	Very high	97.1	Very high	158 Å²	158	111.7 Å²	111.7	62%	0.62	58%	0.577	S	S	*	*	H	α-helix	trans	-74.8	-22.8	175.6	-79.3	-98.3	0	0	0	113	M68 T69 M70 F74 R75	M68-Y72 HydrophobicContact CE-CE2 4.41Å; M68-Y72 WeakPolarHBondContact O-CD2 3.48Å; T69-Y72 WeakPolarHBondContact O-CB 3.22Å; T69-Y72 PolarHBondContact O-N 3.22Å; M70-Y72 PolarHBondContact O-N 3.45Å; Y72-F74 PolarHBondContact O-N 3.18Å; Y72-R75 VanDerWaalsContact CE1-NH1 3.32Å; Y72-R75 VanDerWaalsContact CG-NH1 3.32Å; Y72-R75 PolarHBondContact O-N 3.39Å; Y72-R75 VanDerWaalsContact O-N 3.15Å
73	L	97.4	Very high	97.1	Very high	127 Å²	127	110.2 Å²	110.2	67%	0.665	57%	0.573	S	S	*	*	H	α-helix	trans	-62.6	-30.4	176.1	-175.5	63.7	0	0	0	112.1	M70 S71	M70-L73 VanDerWaalsContact O-CB 3.27Å; M70-L73 WeakPolarHBondContact O-CB 3.08Å; M70-L73 PolarHBondContact O-N 3.46Å; M70-L73 HydrophobicContact SD-CB 4.43Å; M70-L73 HydrophobicContact SD-CD2 3.76Å; S71-L73 VanDerWaalsContact C-N 3.34Å
74	F	97.5	Very high	97.1	Very high	170 Å²	170	112.2 Å²	112.2	75%	0.746	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	6	179.4	-57.5	-65.8	0	0	0	113.7	M70 Y72	M70-F74 HydrophobicContact CG-CE2 4.31Å; Y72-F74 PolarHBondContact O-N 3.18Å
75	R	97.7	Very high	97.1	Very high	122 Å²	122	107.6 Å²	107.6	46%	0.46	57%	0.569	S	S	.	*	S	Bend	trans	-91.7	148.3	172.5	-68.7	-172.4	177.6	114.5	3.4	109.9	Y72	Y72-R75 VanDerWaalsContact CE1-NH1 3.32Å; Y72-R75 VanDerWaalsContact CG-NH1 3.32Å; Y72-R75 PolarHBondContact O-N 3.39Å; Y72-R75 VanDerWaalsContact O-N 3.15Å
76	E	97.2	Very high	97	Very high	183 Å²	183	111 Å²	111	86%	0.855	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-64.8	136.6	170.1	-169.6	176	178.6	0	0	110.2
77	P	96.8	Very high	96.9	Very high	93 Å²	93	108 Å²	108	60%	0.604	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-70.4	135.1	178.6	29	-34.7	0	0	0	111	T79	P77-T79 PolarHBondContact O-N 3.34Å; P77-T79 VanDerWaalsContact O-N 3.1Å
78	A	96.2	Very high	96.8	Very high	111 Å²	111	112.6 Å²	112.6	92%	0.917	59%	0.589	S	S	*	*			trans	-81.8	26.5	176.9	0	0	0	0	0	113.3
79	T	96.8	Very high	96.7	Very high	114 Å²	114	112.3 Å²	112.3	70%	0.699	59%	0.589	S	S	*	*			trans	-88.2	123.1	-177.7	52.2	0	0	0	0	110.6	P77	P77-T79 PolarHBondContact O-N 3.34Å; P77-T79 VanDerWaalsContact O-N 3.1Å
80	I	97.1	Very high	96.7	Very high	98 Å²	98	111.7 Å²	111.7	50%	0.503	59%	0.587	S	S	.	*			trans	-80.6	146.9	170.6	59.8	172.7	0	0	0	110.9	Y82	I80-Y82 PolarHBondContact O-N 2.78Å; I80-Y82 VanDerWaalsContact O-N 3.1Å
81	N	97.4	Very high	96.6	Very high	94 Å²	94	110 Å²	110	50%	0.503	58%	0.584	S	S	.	*			trans	-86	72	178.7	-171.9	9.2	0	0	0	112.1	F84 E85	N81-F84 PolarHBondContact O-N 2.7Å; N81-E85 HydrophobicContact CB-CG 4.43Å; N81-E85 PolarHBondContact N-OE2 2.87Å; N81-E85 PolarHBondContact O-N 3.1Å
82	Y	96.2	Very high	96.6	Very high	127 Å²	127	113.9 Å²	113.9	50%	0.498	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.6	132.2	173.4	-173.5	-94.5	0	0	0	110.2	I80 E170	I80-Y82 PolarHBondContact O-N 2.78Å; I80-Y82 VanDerWaalsContact O-N 3.1Å; Y82-E170 PolarHBondContact OH-OE1 2.89Å
83	P	96.6	Very high	96.6	Very high	76 Å²	76	109.7 Å²	109.7	49%	0.494	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	cis	-98	1.2	16.1	37.4	-37.2	0	0	0	116
84	F	97.2	Very high	96.7	Very high	176 Å²	176	107.7 Å²	107.7	77%	0.772	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-32.8	-176.3	-57	-69	0	0	0	112.6	N81	N81-F84 PolarHBondContact O-N 2.7Å
85	E	96.7	Very high	96.6	Very high	109 Å²	109	99.8 Å²	99.8	51%	0.509	53%	0.527	S	S	.	.	S	Bend	trans	-113.9	124.4	172.8	-64.7	172.9	177.4	0	0	108.7	N81	N81-E85 HydrophobicContact CB-CG 4.43Å; N81-E85 PolarHBondContact N-OE2 2.87Å; N81-E85 PolarHBondContact O-N 3.1Å
86	K	94.6	Very high	96.6	Very high	110 Å²	110	94.4 Å²	94.4	48%	0.478	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-103.5	150.5	177.3	-63.2	-168.5	179.4	-158.4	0	110.6	F169 E170	K86-F169 HydrophobicContact CD-CZ 4.48Å; K86-E170 VanDerWaalsContact CE-OE1 3.3Å; K86-E170 WeakPolarHBondContact CE-OE1 3.43Å; K86-E170 IonicContact NZ-OE1 2.74Å; K86-E170 PolarHBondContact NZ-OE1 2.86Å; K86-E170 IonicContact NZ-OE2 3.25Å; K86-E170 PolarHBondContact NZ-OE2 2.9Å
87	G	95.6	Very high	96.7	Very high	34 Å²	34	85.9 Å²	85.9	35%	0.351	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-61.8	150.7	174.5	0	0	0	0	0	111.6	L89	G87-L89 PolarHBondContact O-N 3.14Å
88	P	95.4	Very high	96.7	Very high	137 Å²	137	81.5 Å²	81.5	89%	0.89	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-66.9	127.8	176.7	28	-33.8	0	0	0	110.5
89	L	95.3	Very high	96.8	Very high	94 Å²	94	76.4 Å²	76.4	49%	0.492	40%	0.396	S	S	.	.			trans	-111.3	142.7	177.2	-68.3	169.2	0	0	0	110.6	G87 F93 F169	G87-L89 PolarHBondContact O-N 3.14Å; L89-F93 HydrophobicContact CD2-CD2 3.74Å; L89-F93 HydrophobicContact CD2-CE2 4.04Å; L89-F93 HydrophobicContact CD2-CG 4.01Å; L89-F169 HydrophobicContact CD1-CD1 3.99Å; L89-F169 HydrophobicContact CD1-CE1 3.52Å; L89-F169 HydrophobicContact CD1-CZ 4.42Å
90	S	96.4	Very high	96.9	Very high	71 Å²	71	71.7 Å²	71.7	50%	0.497	37%	0.366	S	S	.	.			trans	-81.9	153.9	172.9	75.7	0	0	0	0	110.9	R92 F93	S90-R92 PolarHBondContact O-N 3.4Å; S90-R92 PolarHBondContact OG-N 2.69Å; S90-F93 WeakPolarHBondContact O-CB 3.46Å; S90-F93 PolarHBondContact O-N 2.95Å; S90-F93 PolarHBondContact OG-N 2.96Å
91	P	96.6	Very high	96.9	Very high	61 Å²	61	70.6 Å²	70.6	40%	0.396	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-15.6	172.9	-24.4	34.5	0	0	0	114.7	F93 N200 A203	P91-F93 VanDerWaalsContact C-N 3.33Å; P91-N200 HydrophobicContact CB-CB 4.34Å; P91-A203 HydrophobicContact CB-CB 4.21Å; P91-A203 HydrophobicContact CG-CB 4.34Å
92	R	97	Very high	96.8	Very high	127 Å²	127	70 Å²	70	48%	0.479	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.8	177.1	-64.1	-177	175.5	92.6	14.7	113.6	S90 D204	S90-R92 PolarHBondContact O-N 3.4Å; S90-R92 PolarHBondContact OG-N 2.69Å; R92-D204 WeakPolarHBondContact CG-OD1 3.46Å; R92-D204 IonicContact CZ-OD1 2.84Å; R92-D204 IonicContact NE-OD1 2.86Å; R92-D204 PolarHBondContact NE-OD1 3.05Å; R92-D204 IonicContact NH2-OD1 3.58Å; R92-D204 PolarHBondContact NH2-OD1 3.45Å
93	F	97.9	Very high	96.7	Very high	69 Å²	69	70.2 Å²	70.2	30%	0.303	36%	0.363	S	S	.	.			trans	-58.3	142.6	178.9	177	-101.7	0	0	0	110.5	L89 S90 P91 F169	L89-F93 HydrophobicContact CD2-CD2 3.74Å; L89-F93 HydrophobicContact CD2-CE2 4.04Å; L89-F93 HydrophobicContact CD2-CG 4.01Å; S90-F93 WeakPolarHBondContact O-CB 3.46Å; S90-F93 PolarHBondContact O-N 2.95Å; S90-F93 PolarHBondContact OG-N 2.96Å; P91-F93 VanDerWaalsContact C-N 3.33Å; F93-F169 HydrophobicContact CE1-CB 3.89Å; F93-F169 HydrophobicContact CE1-CD1 4.05Å; F93-F169 HydrophobicContact CE1-CG 4.35Å; F93-F169 HydrophobicContact CZ-CB 3.78Å; F93-F169 HydrophobicContact CZ-CD1 4.27Å; F93-F169 HydrophobicContact CZ-CG 4.25Å
94	R	97.8	Very high	96.6	Very high	86 Å²	86	71.4 Å²	71.4	33%	0.325	37%	0.374	S	S	.	.			trans	-112.8	107.4	-174.9	-61.4	-174.9	-172.4	-82.5	11.1	108.8	E156 E165	R94-E156 IonicContact CZ-OE1 4Å; R94-E156 IonicContact NH1-OE1 3.03Å; R94-E156 IonicContact NH2-OE1 3.99Å; R94-E156 PolarHBondContact NH2-OE1 3.27Å; R94-E165 HydrophobicContact CB-CB 4.33Å; R94-E165 WeakPolarHBondContact CB-OE2 3.15Å; R94-E165 WeakPolarHBondContact CD-OE2 3.08Å; R94-E165 WeakPolarHBondContact CG-OE2 3.11Å; R94-E165 IonicContact NE-OE2 2.67Å; R94-E165 IonicContact NH1-OE2 3.92Å; R94-E165 PolarHBondContact NH1-OE2 2.86Å
95	G	96.9	Very high	96.4	Very high	4 Å²	4	65 Å²	65	4%	0.041	36%	0.357	C	S	.	.			trans	-127.2	-139.7	-176.9	0	0	0	0	0	113.5	Y150 G166 N168	G95-Y150 WeakPolarHBondContact O-CD1 3.49Å; G95-G166 CarbonylContact C-O 3.5Å; G95-G166 WeakPolarHBondContact CA-O 3.44Å; G95-G166 PolarHBondContact N-O 3.38Å; G95-N168 CarbonylContact C-O 3.51Å; G95-N168 WeakPolarHBondContact CA-O 3.45Å
96	E	97.9	Very high	96.3	Very high	9 Å²	9	63.4 Å²	63.4	4%	0.042	35%	0.35	C	S	.	.	S	Bend	trans	-61.5	135.5	-177	-165	-177.7	-175.9	0	0	111.5	G166 N168 F171 Y181 N189	E96-G166 WeakPolarHBondContact O-CA 3.49Å; E96-G166 PolarHBondContact O-N 3.15Å; E96-N168 HydrophobicContact CB-CB 4.02Å; E96-N168 PolarHBondContact N-O 2.93Å; E96-N168 PolarHBondContact OE2-ND2 2.83Å; E96-F171 HydrophobicContact CB-CD1 3.74Å; E96-F171 HydrophobicContact CB-CE1 3.6Å; E96-F171 HydrophobicContact CB-CG 4.42Å; E96-F171 HydrophobicContact CB-CZ 4.17Å; E96-F171 HydrophobicContact CG-CD1 4.01Å; E96-F171 HydrophobicContact CG-CD2 4.4Å; E96-F171 HydrophobicContact CG-CE1 4.08Å; E96-F171 HydrophobicContact CG-CE2 4.47Å; E96-F171 HydrophobicContact CG-CG 4.18Å; E96-F171 HydrophobicContact CG-CZ 4.31Å; E96-Y181 HydrophobicContact CG-CE2 4.03Å; E96-Y181 WeakPolarHBondContact OE1-CE2 3.5Å; E96-Y181 PolarHBondContact OE1-OH 2.96Å; E96-N189 VanDerWaalsContact CD-ND2 3.28Å; E96-N189 PolarHBondContact OE1-ND2 2.91Å; E96-N189 PolarHBondContact OE1-OD1 2.94Å
97	H	98.2	Very high	96.3	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.014	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	144.6	-179.1	-62	61.3	0	0	0	111.2	I143 M145 C148 Y150 V164 E165 L186 N189	H97-I143 HydrophobicContact CB-CD1 4.35Å; H97-M145 HydrophobicContact CB-CE 3.7Å; H97-C148 PolarHBondContact CE1-SG 3.4Å; H97-Y150 AromaticContact CE1-CD1 3.82Å; H97-Y150 AromaticContact CE1-CE1 3.87Å; H97-Y150 AromaticContact ND1-CE1 3.99Å; H97-V164 WeakPolarHBondContact CA-O 3.31Å; H97-E165 IonicContact NE2-OE1 2.7Å; H97-L186 HydrophobicContact CB-CD2 3.74Å; H97-L186 WeakPolarHBondContact O-CD2 3.45Å; H97-N189 PolarHBondContact O-ND2 3.48Å
98	A	98.1	Very high	96.4	Very high	2 Å²	2	59.6 Å²	59.6	2%	0.017	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143	176.8	0	0	0	0	0	111.3	V164 N189 I197	A98-V164 HydrophobicContact CB-CG2 4.07Å; A98-V164 PolarHBondContact N-O 2.76Å; A98-V164 PolarHBondContact O-N 2.76Å; A98-N189 HydrophobicContact CB-CB 4.21Å; A98-I197 HydrophobicContact CB-CD1 3.8Å
99	L	98.2	Very high	96.4	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.3	169	-77.9	174.4	0	0	0	109.5	Y141 A162 I163 K183 L186 L187 G190	L99-Y141 HydrophobicContact CD1-CD1 3.81Å; L99-Y141 HydrophobicContact CD1-CE1 4.26Å; L99-Y141 HydrophobicContact CD1-CG 4.21Å; L99-Y141 HydrophobicContact CD2-CD1 4.42Å; L99-Y141 HydrophobicContact CD2-CE1 4.1Å; L99-Y141 HydrophobicContact CG-CD1 4.4Å; L99-Y141 HydrophobicContact CG-CE1 4.37Å; L99-A162 WeakPolarHBondContact CA-O 3.3Å; L99-I163 HydrophobicContact CD2-CB 4.1Å; L99-K183 HydrophobicContact CD1-CG 4.07Å; L99-L186 HydrophobicContact CB-CB 4.26Å; L99-L186 HydrophobicContact CD1-CB 3.9Å; L99-L186 HydrophobicContact CD1-CD1 4.39Å; L99-L186 HydrophobicContact CG-CB 3.9Å; L99-L186 PolarHBondContact N-O 3.37Å; L99-L187 HydrophobicContact CB-CD2 3.72Å; L99-L187 HydrophobicContact CB-CG 4.2Å; L99-L187 HydrophobicContact CD1-CD2 4.42Å; L99-L187 HydrophobicContact CD1-CG 4.31Å; L99-G190 WeakPolarHBondContact O-CA 3.47Å
100	R	97.3	Very high	96.5	Very high	16 Å²	16	52.3 Å²	52.3	6%	0.06	28%	0.276	C	S	.	.			trans	-94.8	160.9	-175.5	-62.8	-174.8	75.6	167.2	-7.8	113.2	R108 A162 V164 E194 I197	R100-R108 WeakPolarHBondContact O-CB 3.46Å; R100-R108 PolarHBondContact O-N 3.34Å; R100-A162 PolarHBondContact N-O 2.86Å; R100-V164 HydrophobicContact CG-CG1 4.32Å; R100-V164 HydrophobicContact CG-CG2 3.79Å; R100-E194 WeakPolarHBondContact CG-OE2 3.46Å; R100-E194 IonicContact CZ-OE1 3.38Å; R100-E194 IonicContact CZ-OE2 2.82Å; R100-E194 IonicContact NE-OE1 3.35Å; R100-E194 PolarHBondContact NE-OE1 3.02Å; R100-E194 IonicContact NE-OE2 3.55Å; R100-E194 PolarHBondContact NE-OE2 3.18Å; R100-E194 IonicContact NH2-OE1 2.85Å; R100-E194 PolarHBondContact NH2-OE1 3.22Å; R100-E194 IonicContact NH2-OE2 3.23Å; R100-I197 HydrophobicContact CG-CG2 4.48Å; R100-I197 VanDerWaalsContact NH1-CG2 3.27Å
101	R	97.2	Very high	96.5	Very high	74 Å²	74	48.9 Å²	48.9	28%	0.279	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-108.3	158.2	173.7	-63	175.2	-173.3	-78.2	-3.2	111.6	G105 E106 R108 D191	R101-G105 WeakPolarHBondContact CD-O 3.43Å; R101-G105 PolarHBondContact NH1-O 2.96Å; R101-E106 CarbonylContact C-O 3.6Å; R101-E106 VanDerWaalsContact CA-O 3.3Å; R101-E106 WeakPolarHBondContact CA-O 3.39Å; R101-R108 PolarHBondContact O-NE 2.85Å; R101-D191 VanDerWaalsContact CD-OD1 3.28Å; R101-D191 WeakPolarHBondContact CD-OD1 3.09Å; R101-D191 IonicContact CZ-OD1 2.66Å; R101-D191 IonicContact CZ-OD2 2.99Å; R101-D191 IonicContact NE-OD1 3.88Å; R101-D191 PolarHBondContact NE-OD1 3.49Å; R101-D191 IonicContact NE-OD2 3.79Å; R101-D191 PolarHBondContact NE-OD2 3.25Å; R101-D191 IonicContact NH2-OD2 3.64Å; R101-D191 PolarHBondContact NH2-OD2 2.83Å
102	Y	96.6	Very high	96.5	Very high	82 Å²	82	48 Å²	48	32%	0.322	25%	0.247	S	C	.	.			trans	-69.5	161.3	163.7	-74.3	-70.6	0	0	0	109.8	S104 G105 E106 R108	Y102-S104 WeakPolarHBondContact CB-OG 3.17Å; Y102-S104 PolarHBondContact O-N 2.99Å; Y102-G105 PolarHBondContact O-N 2.9Å; Y102-E106 HydrophobicContact CD2-CB 4.41Å; Y102-E106 PolarHBondContact N-O 3.45Å; Y102-R108 HydrophobicContact CD1-CG 4.03Å; Y102-R108 HydrophobicContact CD2-CG 3.87Å; Y102-R108 HydrophobicContact CE1-CG 4.03Å; Y102-R108 HydrophobicContact CE2-CB 4.18Å; Y102-R108 HydrophobicContact CE2-CG 3.89Å; Y102-R108 HydrophobicContact CG-CG 3.95Å
103	P	94.1	Very high	96.4	Very high	131 Å²	131	45.5 Å²	45.5	85%	0.851	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.2	172.3	-24.4	34.9	0	0	0	114	G105	P103-G105 VanDerWaalsContact C-N 3.27Å
104	S	94	Very high	96.4	Very high	102 Å²	102	46.4 Å²	46.4	71%	0.713	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.9	173	56.6	0	0	0	0	114.3	Y102	Y102-S104 WeakPolarHBondContact CB-OG 3.17Å; Y102-S104 PolarHBondContact O-N 2.99Å
105	G	92.6	Very high	96.4	Very high	41 Å²	41	42.7 Å²	42.7	42%	0.423	23%	0.234	S	C	.	.	S	Bend	trans	90.9	-9.8	-176.2	0	0	0	0	0	114.9	R101 Y102 P103	R101-G105 WeakPolarHBondContact CD-O 3.43Å; R101-G105 PolarHBondContact NH1-O 2.96Å; Y102-G105 PolarHBondContact O-N 2.9Å; P103-G105 VanDerWaalsContact C-N 3.27Å
106	E	94.1	Very high	96.4	Very high	76 Å²	76	45 Å²	45	36%	0.355	24%	0.244	S	C	.	.			trans	-74.1	143	177.4	-177.6	61.8	-168	0	0	111.3	R101 Y102 R137	R101-E106 CarbonylContact C-O 3.6Å; R101-E106 VanDerWaalsContact CA-O 3.3Å; R101-E106 WeakPolarHBondContact CA-O 3.39Å; Y102-E106 HydrophobicContact CD2-CB 4.41Å; Y102-E106 PolarHBondContact N-O 3.45Å; E106-R137 VanDerWaalsContact CG-NH2 3.25Å; E106-R137 IonicContact OE1-CZ 3.4Å; E106-R137 VanDerWaalsContact OE1-CZ 3.23Å; E106-R137 IonicContact OE1-NE 2.75Å; E106-R137 PolarHBondContact OE1-NE 3.1Å; E106-R137 IonicContact OE1-NH2 3.23Å; E106-R137 PolarHBondContact OE1-NH2 3.44Å
107	E	95.5	Very high	96.4	Very high	15 Å²	15	48.7 Å²	48.7	7%	0.07	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-64.1	140	176	65.1	-179.8	-171.3	0	0	112.3	C109 R137 K183 L187	E107-C109 VanDerWaalsContact C-N 3.32Å; E107-C109 PolarHBondContact O-N 3.35Å; E107-R137 WeakPolarHBondContact OE1-CD 3.19Å; E107-K183 VanDerWaalsContact CD-NZ 3.26Å; E107-K183 IonicContact OE1-NZ 3.69Å; E107-K183 PolarHBondContact OE1-NZ 2.91Å; E107-K183 WeakPolarHBondContact OE2-CE 3.45Å; E107-K183 IonicContact OE2-NZ 2.81Å; E107-K183 PolarHBondContact OE2-NZ 2.87Å; E107-L187 HydrophobicContact CB-CD2 4.47Å
108	R	96.6	Very high	96.4	Very high	48 Å²	48	52.5 Å²	52.5	18%	0.181	30%	0.296	C	S	.	.			trans	-72	-27.7	-179.5	-73.5	176.9	-179.2	-98.8	0.2	113.2	R100 R101 Y102 I110 V160 D161 A162	R100-R108 WeakPolarHBondContact O-CB 3.46Å; R100-R108 PolarHBondContact O-N 3.34Å; R101-R108 PolarHBondContact O-NE 2.85Å; Y102-R108 HydrophobicContact CD1-CG 4.03Å; Y102-R108 HydrophobicContact CD2-CG 3.87Å; Y102-R108 HydrophobicContact CE1-CG 4.03Å; Y102-R108 HydrophobicContact CE2-CB 4.18Å; Y102-R108 HydrophobicContact CE2-CG 3.89Å; Y102-R108 HydrophobicContact CG-CG 3.95Å; R108-I110 PolarHBondContact O-N 3.06Å; R108-V160 WeakPolarHBondContact O-CG2 3.26Å; R108-D161 WeakPolarHBondContact CD-O 3.43Å; R108-A162 HydrophobicContact CB-CB 3.67Å
109	C	97.1	Very high	96.4	Very high	12 Å²	12	53.2 Å²	53.2	8%	0.081	30%	0.301	C	S	.	.			trans	-63.8	122.2	-172.7	-172.3	0	0	0	0	112.3	E107 A111 R137 A162	E107-C109 VanDerWaalsContact C-N 3.32Å; E107-C109 PolarHBondContact O-N 3.35Å; C109-A111 PolarHBondContact SG-N 3.47Å; C109-R137 WeakPolarHBondContact O-CD 2.94Å; C109-R137 PolarHBondContact O-NH1 3.19Å; C109-A162 HydrophobicContact CB-CB 3.96Å
110	I	95.9	Very high	96.4	Very high	66 Å²	66	56.5 Å²	56.5	34%	0.338	32%	0.322	S	S	.	.			trans	-102.9	15.1	175.9	58.4	168.2	0	0	0	112.8	R108 C112 V160	R108-I110 PolarHBondContact O-N 3.06Å; I110-C112 VanDerWaalsContact C-N 3.27Å; I110-C112 HydrophobicContact CD1-CB 4.29Å; I110-C112 HydrophobicContact CG1-CB 4.11Å; I110-C112 PolarHBondContact O-N 3.39Å; I110-V160 HydrophobicContact CD1-CG1 4.01Å; I110-V160 HydrophobicContact CG1-CG1 4.41Å; I110-V160 HydrophobicContact CG1-CG2 4.23Å
111	A	96.7	Very high	96.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.333	C	S	.	.			trans	51.4	41.1	-177.8	0	0	0	0	0	113.7	C109 K113 A128 R136 T138	C109-A111 PolarHBondContact SG-N 3.47Å; A111-K113 PolarHBondContact O-N 3.27Å; A111-A128 HydrophobicContact CB-CB 3.56Å; A111-R136 HydrophobicContact CB-CG 4.25Å; A111-R136 VanDerWaalsContact O-CZ 3.31Å; A111-R136 PolarHBondContact O-NE 2.71Å; A111-R136 VanDerWaalsContact O-NE 3.16Å; A111-R136 PolarHBondContact O-NH2 3.25Å; A111-T138 HydrophobicContact CB-CG2 3.44Å; A111-T138 VanDerWaalsContact CB-CG2 3.44Å
112	C	96.6	Very high	96.4	Very high	41 Å²	41	61.5 Å²	61.5	28%	0.277	36%	0.355	S	S	.	.			trans	-71.2	-17.1	-177.3	62.3	0	0	0	0	114	I110 L114	I110-C112 VanDerWaalsContact C-N 3.27Å; I110-C112 HydrophobicContact CD1-CB 4.29Å; I110-C112 HydrophobicContact CG1-CB 4.11Å; I110-C112 PolarHBondContact O-N 3.39Å; C112-L114 HydrophobicContact CB-CD1 3.52Å; C112-L114 PolarHBondContact O-N 3.31Å; C112-L114 VanDerWaalsContact SG-CD1 3.55Å
113	K	96.4	Very high	96.5	Very high	76 Å²	76	57.8 Å²	57.8	33%	0.33	34%	0.342	S	S	.	.			trans	62.5	10.8	-179	-58.2	-170.9	163.3	-142.2	0	116.5	A111 C115 E116 A117 I126	A111-K113 PolarHBondContact O-N 3.27Å; K113-C115 VanDerWaalsContact C-N 3.35Å; K113-C115 PolarHBondContact O-N 3.47Å; K113-E116 WeakPolarHBondContact CD-OE2 3.23Å; K113-E116 IonicContact NZ-OE2 2.7Å; K113-E116 PolarHBondContact O-N 3.34Å; K113-A117 PolarHBondContact O-N 2.83Å; K113-I126 WeakPolarHBondContact CE-O 3.43Å; K113-I126 HydrophobicContact CG-CB 4.26Å; K113-I126 HydrophobicContact CG-CG2 4.14Å; K113-I126 PolarHBondContact NZ-O 3.38Å
114	L	97.3	Very high	96.7	Very high	88 Å²	88	51.9 Å²	51.9	46%	0.461	30%	0.303	S	S	.	.	H	α-helix	trans	-64.5	-39	174.2	-77.9	94.1	0	0	0	112.3	C112 E116 A117 I118	C112-L114 HydrophobicContact CB-CD1 3.52Å; C112-L114 PolarHBondContact O-N 3.31Å; C112-L114 VanDerWaalsContact SG-CD1 3.55Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 3.28Å; L114-A117 PolarHBondContact O-N 2.92Å; L114-I118 PolarHBondContact O-N 3.28Å
115	C	97.3	Very high	96.8	Very high	7 Å²	7	49.7 Å²	49.7	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-32.6	179	49.4	0	0	0	0	113	K113 C119 I124 I126 Y141 C154 I163	K113-C115 VanDerWaalsContact C-N 3.35Å; K113-C115 PolarHBondContact O-N 3.47Å; C115-C119 WeakPolarHBondContact O-CB 3.3Å; C115-C119 PolarHBondContact O-N 3.44Å; C115-I124 HydrophobicContact CB-CD1 4.24Å; C115-I126 VanDerWaalsContact SG-CD1 3.6Å; C115-Y141 PolarHBondContact SG-OH 3.16Å; C115-Y141 VanDerWaalsContact SG-OH 3.4Å; C115-C154 HydrophobicContact CB-CB 3.99Å; C115-I163 HydrophobicContact CB-CG2 4.32Å
116	E	97.1	Very high	97.1	Very high	52 Å²	52	47.8 Å²	47.8	24%	0.243	27%	0.265	C	S	.	.	H	α-helix	trans	-66.7	-43.4	171.8	174.1	174.8	-139.8	0	0	111	K113 L114 I126	K113-E116 WeakPolarHBondContact CD-OE2 3.23Å; K113-E116 IonicContact NZ-OE2 2.7Å; K113-E116 PolarHBondContact O-N 3.34Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 3.28Å; E116-I126 HydrophobicContact CB-CD1 3.81Å; E116-I126 HydrophobicContact CB-CG1 4.18Å; E116-I126 PolarHBondContact OE1-N 2.67Å
117	A	97.4	Very high	97.1	Very high	88 Å²	88	48.6 Å²	48.6	73%	0.727	27%	0.269	S	S	*	.	H	α-helix	trans	-69.2	-36.9	-179.6	0	0	0	0	0	113.9	K113 L114	K113-A117 PolarHBondContact O-N 2.83Å; L114-A117 PolarHBondContact O-N 2.92Å
118	I	98.2	Very high	97.1	Very high	82 Å²	82	49.2 Å²	49.2	42%	0.421	28%	0.277	S	S	.	.	H	α-helix	trans	-83.4	-15.5	-177.4	-157.9	61.8	0	0	0	113.2	L114 P120 F153 A157	L114-I118 PolarHBondContact O-N 3.28Å; I118-P120 VanDerWaalsContact O-CD 3.24Å; I118-P120 WeakPolarHBondContact O-CD 3.44Å; I118-P120 VanDerWaalsContact O-N 3.12Å; I118-F153 HydrophobicContact CG1-CB 4.06Å; I118-F153 HydrophobicContact CG2-CB 4.09Å; I118-A157 HydrophobicContact CB-CB 4.32Å; I118-A157 HydrophobicContact CG1-CB 4.45Å; I118-A157 HydrophobicContact CG2-CB 3.76Å
119	C	98.3	Very high	96.9	Very high	17 Å²	17	52.8 Å²	52.8	12%	0.115	30%	0.295	C	S	.	.			trans	-64.2	113.7	-175.9	-175.2	0	0	0	0	110.2	C115 A121 Q122 A123 I124	C115-C119 WeakPolarHBondContact O-CB 3.3Å; C115-C119 PolarHBondContact O-N 3.44Å; C119-A121 VanDerWaalsContact C-N 3.25Å; C119-A121 PolarHBondContact O-N 2.97Å; C119-Q122 PolarHBondContact O-N 3.03Å; C119-Q122 VanDerWaalsContact O-N 3.1Å; C119-Q122 PolarHBondContact SG-N 2.97Å; C119-A123 PolarHBondContact SG-N 2.87Å; C119-I124 HydrophobicContact CB-CD1 4.44Å; C119-I124 HydrophobicContact CB-CG1 4.36Å
120	P	98.3	Very high	96.7	Very high	73 Å²	73	57.5 Å²	57.5	47%	0.474	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-28.3	-173.4	26.4	-33.9	0	0	0	112.5	I118 I149 F153	I118-P120 VanDerWaalsContact O-CD 3.24Å; I118-P120 WeakPolarHBondContact O-CD 3.44Å; I118-P120 VanDerWaalsContact O-N 3.12Å; P120-I149 HydrophobicContact CB-CD1 4.41Å; P120-I149 HydrophobicContact CG-CD1 3.58Å; P120-I149 HydrophobicContact CG-CG1 4.09Å; P120-F153 HydrophobicContact CG-CD2 4.27Å; P120-F153 HydrophobicContact CG-CE2 4.47Å
121	A	97.6	Very high	96.4	Very high	35 Å²	35	61.4 Å²	61.4	29%	0.289	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	1.7	177.7	0	0	0	0	0	113.5	C119 A123 K147 I149	C119-A121 VanDerWaalsContact C-N 3.25Å; C119-A121 PolarHBondContact O-N 2.97Å; A121-A123 PolarHBondContact O-N 3.03Å; A121-K147 WeakPolarHBondContact CB-O 3.44Å; A121-I149 HydrophobicContact CB-CG2 4.22Å
122	Q	97.3	Very high	96	Very high	159 Å²	159	66.5 Å²	66.5	74%	0.743	38%	0.377	S	S	*	.			trans	49.7	41.5	-178.1	-58.6	-177.2	-37.7	0	0	113.2	C119 I124	C119-Q122 PolarHBondContact O-N 3.03Å; C119-Q122 VanDerWaalsContact O-N 3.1Å; C119-Q122 PolarHBondContact SG-N 2.97Å; Q122-I124 VanDerWaalsContact C-N 3.33Å
123	A	97.8	Very high	95.6	Very high	4 Å²	4	70.6 Å²	70.6	3%	0.033	40%	0.396	C	S	.	.			trans	-78.2	-17.5	-177.8	0	0	0	0	0	113.6	C119 A121 I143 D144 K147 C148	C119-A123 PolarHBondContact SG-N 2.87Å; A121-A123 PolarHBondContact O-N 3.03Å; A123-I143 WeakPolarHBondContact O-CA 3.47Å; A123-D144 PolarHBondContact O-N 3.02Å; A123-K147 HydrophobicContact CB-CB 3.77Å; A123-C148 HydrophobicContact CB-CB 4.35Å
124	I	97.8	Very high	95.2	Very high	8 Å²	8	69.9 Å²	69.9	4%	0.041	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.1	-173.5	-49.1	-175.5	0	0	0	109.2	C115 C119 Q122 I126 Y141 D142 I143 C154	C115-I124 HydrophobicContact CB-CD1 4.24Å; C119-I124 HydrophobicContact CB-CD1 4.44Å; C119-I124 HydrophobicContact CB-CG1 4.36Å; Q122-I124 VanDerWaalsContact C-N 3.33Å; I124-I126 HydrophobicContact CG2-CD1 3.96Å; I124-I126 HydrophobicContact CG2-CG1 3.77Å; I124-Y141 HydrophobicContact CG2-CE1 4.36Å; I124-Y141 HydrophobicContact CG2-CE2 4.26Å; I124-D142 CarbonylContact C-O 3.52Å; I124-D142 WeakPolarHBondContact CA-O 3.31Å; I124-I143 HydrophobicContact CB-CG1 4.49Å; I124-I143 HydrophobicContact CD1-CD1 4.25Å; I124-I143 HydrophobicContact CG1-CD1 4.18Å; I124-I143 HydrophobicContact CG1-CG1 4.05Å; I124-I143 HydrophobicContact CG2-CG1 4.26Å; I124-C154 HydrophobicContact CD1-CB 4.05Å
125	T	97.6	Very high	94.9	Very high	55 Å²	55	67.3 Å²	67.3	34%	0.337	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.6	170.1	-48.2	0	0	0	0	110.6	D142	T125-D142 PolarHBondContact N-O 2.7Å; T125-D142 PolarHBondContact O-N 3.2Å
126	I	97.4	Very high	94.6	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.01	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.9	-173.9	-52.8	176.6	0	0	0	111.3	K113 C115 E116 I124 T138 R140 Y141	K113-I126 WeakPolarHBondContact CE-O 3.43Å; K113-I126 HydrophobicContact CG-CB 4.26Å; K113-I126 HydrophobicContact CG-CG2 4.14Å; K113-I126 PolarHBondContact NZ-O 3.38Å; C115-I126 VanDerWaalsContact SG-CD1 3.6Å; E116-I126 HydrophobicContact CB-CD1 3.81Å; E116-I126 HydrophobicContact CB-CG1 4.18Å; E116-I126 PolarHBondContact OE1-N 2.67Å; I124-I126 HydrophobicContact CG2-CD1 3.96Å; I124-I126 HydrophobicContact CG2-CG1 3.77Å; I126-T138 HydrophobicContact CG2-CG2 3.6Å; I126-R140 WeakPolarHBondContact CA-O 3.41Å; I126-Y141 HydrophobicContact CD1-CD2 3.8Å; I126-Y141 HydrophobicContact CD1-CE2 3.39Å; I126-Y141 HydrophobicContact CG1-CD2 3.66Å; I126-Y141 HydrophobicContact CG1-CE2 3.72Å; I126-Y141 HydrophobicContact CG2-CD2 4.23Å
127	E	96.1	Very high	94.5	Very high	93 Å²	93	71.7 Å²	71.7	44%	0.435	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.9	167.2	-64	170.2	-166.4	0	0	109.5	T138 T139 R140	E127-T138 CarbonylContact O-C 3.57Å; E127-T138 VanDerWaalsContact O-CA 3.24Å; E127-T138 WeakPolarHBondContact O-CA 3.11Å; E127-T139 PolarHBondContact O-N 3.17Å; E127-T139 PolarHBondContact O-OG1 2.76Å; E127-R140 HydrophobicContact CB-CB 3.89Å; E127-R140 HydrophobicContact CG-CB 4.19Å; E127-R140 PolarHBondContact N-O 3.5Å; E127-R140 IonicContact OE1-NH1 3.1Å
128	A	94.4	Very high	94.3	Very high	28 Å²	28	67.8 Å²	67.8	23%	0.231	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.7	-170.2	0	0	0	0	0	110.3	A111 R137	A111-A128 HydrophobicContact CB-CB 3.56Å; A128-R137 WeakPolarHBondContact CA-O 3.04Å
129	E	92.7	Very high	94	Very high	122 Å²	122	67.2 Å²	67.2	57%	0.57	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.8	175.6	-62.7	-177.2	-176	0	0	110.2	R137 T139	E129-R137 PolarHBondContact N-O 2.76Å; E129-R137 PolarHBondContact O-N 3.27Å; E129-R137 VanDerWaalsContact O-O 3.07Å; E129-T139 HydrophobicContact CB-CG2 3.77Å; E129-T139 VanDerWaalsContact CD-CG2 3.49Å; E129-T139 HydrophobicContact CG-CG2 3.68Å; E129-T139 WeakPolarHBondContact OE2-CG2 3.36Å
130	T	92.3	Very high	93.9	Very high	112 Å²	112	70.5 Å²	70.5	69%	0.687	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.9	171.9	47.3	0	0	0	0	109.4
131	R	90.1	Very high	93.9	Very high	148 Å²	148	67.1 Å²	67.1	56%	0.558	37%	0.368	S	S	*	.			trans	-67.9	163.2	172.4	-166.9	174.5	-177.5	88.8	1	110.2	D133 G134 S135 R137	R131-D133 WeakPolarHBondContact CD-OD2 3.11Å; R131-D133 IonicContact NE-OD2 3.74Å; R131-D133 PolarHBondContact NE-OD2 3.06Å; R131-D133 PolarHBondContact O-N 3.34Å; R131-D133 VanDerWaalsContact O-N 3.08Å; R131-G134 PolarHBondContact O-N 3.18Å; R131-S135 PolarHBondContact N-O 3.49Å; R131-R137 HydrophobicContact CB-CG 4.49Å
132	A	89	Confident	93.9	Very high	107 Å²	107	66.6 Å²	66.6	88%	0.884	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-30.2	173.6	0	0	0	0	0	113.7	G134	A132-G134 PolarHBondContact O-N 3.29Å
133	D	87.1	Confident	93.9	Very high	127 Å²	127	59.1 Å²	59.1	68%	0.679	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	2.7	178.9	-49.3	-50	0	0	0	113.5	R131 S135	R131-D133 WeakPolarHBondContact CD-OD2 3.11Å; R131-D133 IonicContact NE-OD2 3.74Å; R131-D133 PolarHBondContact NE-OD2 3.06Å; R131-D133 PolarHBondContact O-N 3.34Å; R131-D133 VanDerWaalsContact O-N 3.08Å; D133-S135 PolarHBondContact O-N 2.71Å
134	G	89.1	Confident	93.9	Very high	61 Å²	61	59.9 Å²	59.9	63%	0.629	33%	0.329	S	S	*	.	S	Bend	trans	77.8	-3	-176.1	0	0	0	0	0	114.6	R131 A132	R131-G134 PolarHBondContact O-N 3.18Å; A132-G134 PolarHBondContact O-N 3.29Å
135	S	89.9	Confident	93.9	Very high	34 Å²	34	60 Å²	60	24%	0.238	33%	0.329	C	S	.	.			trans	-75.7	141.6	175.9	64.2	0	0	0	0	111.5	R131 D133	R131-S135 PolarHBondContact N-O 3.49Å; D133-S135 PolarHBondContact O-N 2.71Å
136	R	92	Very high	93.9	Very high	121 Å²	121	60.5 Å²	60.5	46%	0.457	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.4	176	-179.1	-177.7	159.6	94.1	-5.7	109.5	A111	A111-R136 HydrophobicContact CB-CG 4.25Å; A111-R136 VanDerWaalsContact O-CZ 3.31Å; A111-R136 PolarHBondContact O-NE 2.71Å; A111-R136 VanDerWaalsContact O-NE 3.16Å; A111-R136 PolarHBondContact O-NH2 3.25Å
137	R	93.2	Very high	93.9	Very high	30 Å²	30	65.7 Å²	65.7	11%	0.113	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	163.5	-177.1	-64.8	-58.6	-173.8	-150.8	-1.7	111.6	E106 E107 C109 A128 E129 R131	E106-R137 VanDerWaalsContact CG-NH2 3.25Å; E106-R137 IonicContact OE1-CZ 3.4Å; E106-R137 VanDerWaalsContact OE1-CZ 3.23Å; E106-R137 IonicContact OE1-NE 2.75Å; E106-R137 PolarHBondContact OE1-NE 3.1Å; E106-R137 IonicContact OE1-NH2 3.23Å; E106-R137 PolarHBondContact OE1-NH2 3.44Å; E107-R137 WeakPolarHBondContact OE1-CD 3.19Å; C109-R137 WeakPolarHBondContact O-CD 2.94Å; C109-R137 PolarHBondContact O-NH1 3.19Å; A128-R137 WeakPolarHBondContact CA-O 3.04Å; E129-R137 PolarHBondContact N-O 2.76Å; E129-R137 PolarHBondContact O-N 3.27Å; E129-R137 VanDerWaalsContact O-O 3.07Å; R131-R137 HydrophobicContact CB-CG 4.49Å
138	T	93.6	Very high	94	Very high	6 Å²	6	62.3 Å²	62.3	4%	0.037	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.8	176.4	52.8	0	0	0	0	110.2	A111 I126 E127 Y141 K183	A111-T138 HydrophobicContact CB-CG2 3.44Å; A111-T138 VanDerWaalsContact CB-CG2 3.44Å; I126-T138 HydrophobicContact CG2-CG2 3.6Å; E127-T138 CarbonylContact O-C 3.57Å; E127-T138 VanDerWaalsContact O-CA 3.24Å; E127-T138 WeakPolarHBondContact O-CA 3.11Å; T138-Y141 HydrophobicContact CG2-CD2 4.13Å; T138-K183 PolarHBondContact O-NZ 3.33Å; T138-K183 VanDerWaalsContact OG1-CE 3.26Å; T138-K183 WeakPolarHBondContact OG1-CE 3.49Å; T138-K183 PolarHBondContact OG1-NZ 3.48Å; T138-K183 VanDerWaalsContact OG1-NZ 3.15Å
139	T	93.3	Very high	94.2	Very high	69 Å²	69	66 Å²	66	42%	0.423	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-40.6	166.9	45.6	0	0	0	0	110.3	E127 E129	E127-T139 PolarHBondContact O-N 3.17Å; E127-T139 PolarHBondContact O-OG1 2.76Å; E129-T139 HydrophobicContact CB-CG2 3.77Å; E129-T139 VanDerWaalsContact CD-CG2 3.49Å; E129-T139 HydrophobicContact CG-CG2 3.68Å; E129-T139 WeakPolarHBondContact OE2-CG2 3.36Å
140	R	95.6	Very high	94.5	Very high	86 Å²	86	63.6 Å²	63.6	33%	0.325	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.6	175.6	-167.5	174.4	174.3	-107.9	-17.1	110	I126 E127 D142	I126-R140 WeakPolarHBondContact CA-O 3.41Å; E127-R140 HydrophobicContact CB-CB 3.89Å; E127-R140 HydrophobicContact CG-CB 4.19Å; E127-R140 PolarHBondContact N-O 3.5Å; E127-R140 IonicContact OE1-NH1 3.1Å; R140-D142 WeakPolarHBondContact CG-OD2 3.21Å; R140-D142 IonicContact CZ-OD2 2.78Å; R140-D142 IonicContact NE-OD2 2.87Å; R140-D142 PolarHBondContact NE-OD2 3.3Å; R140-D142 IonicContact NH2-OD2 2.7Å; R140-D142 PolarHBondContact NH2-OD2 3.07Å
141	Y	97.8	Very high	94.7	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	91.2	174.2	-169.9	-80.1	0	0	0	106.9	L99 C115 I124 I126 T138 I143 I163 N182 K183 L186	L99-Y141 HydrophobicContact CD1-CD1 3.81Å; L99-Y141 HydrophobicContact CD1-CE1 4.26Å; L99-Y141 HydrophobicContact CD1-CG 4.21Å; L99-Y141 HydrophobicContact CD2-CD1 4.42Å; L99-Y141 HydrophobicContact CD2-CE1 4.1Å; L99-Y141 HydrophobicContact CG-CD1 4.4Å; L99-Y141 HydrophobicContact CG-CE1 4.37Å; C115-Y141 PolarHBondContact SG-OH 3.16Å; C115-Y141 VanDerWaalsContact SG-OH 3.4Å; I124-Y141 HydrophobicContact CG2-CE1 4.36Å; I124-Y141 HydrophobicContact CG2-CE2 4.26Å; I126-Y141 HydrophobicContact CD1-CD2 3.8Å; I126-Y141 HydrophobicContact CD1-CE2 3.39Å; I126-Y141 HydrophobicContact CG1-CD2 3.66Å; I126-Y141 HydrophobicContact CG1-CE2 3.72Å; I126-Y141 HydrophobicContact CG2-CD2 4.23Å; T138-Y141 HydrophobicContact CG2-CD2 4.13Å; Y141-I143 HydrophobicContact CD1-CG1 4.49Å; Y141-I143 HydrophobicContact CE1-CD1 3.75Å; Y141-I143 HydrophobicContact CE1-CG1 3.99Å; Y141-I163 HydrophobicContact CE1-CD1 3.9Å; Y141-I163 WeakPolarHBondContact OH-CD1 3.43Å; Y141-N182 CarbonylContact O-C 3.45Å; Y141-K183 VanDerWaalsContact O-CA 3.23Å; Y141-K183 WeakPolarHBondContact O-CA 3.47Å; Y141-K183 PolarHBondContact O-N 3.47Å; Y141-L186 HydrophobicContact CD1-CD1 3.57Å; Y141-L186 HydrophobicContact CE1-CD1 3.82Å
142	D	97.6	Very high	95	Very high	25 Å²	25	52.9 Å²	52.9	13%	0.134	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.3	-171.7	-61.6	-3.3	0	0	0	109.6	I124 T125 R140 Y181 N182	I124-D142 CarbonylContact C-O 3.52Å; I124-D142 WeakPolarHBondContact CA-O 3.31Å; T125-D142 PolarHBondContact N-O 2.7Å; T125-D142 PolarHBondContact O-N 3.2Å; R140-D142 WeakPolarHBondContact CG-OD2 3.21Å; R140-D142 IonicContact CZ-OD2 2.78Å; R140-D142 IonicContact NE-OD2 2.87Å; R140-D142 PolarHBondContact NE-OD2 3.3Å; R140-D142 IonicContact NH2-OD2 2.7Å; R140-D142 PolarHBondContact NH2-OD2 3.07Å; D142-Y181 CarbonylContact C-O 3.58Å; D142-Y181 WeakPolarHBondContact CA-O 3.2Å; D142-N182 WeakPolarHBondContact OD1-CA 3.42Å
143	I	98.1	Very high	95.5	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.7	177	-59.8	-173	0	0	0	108.8	H97 A123 I124 Y141 M145 I163 Y181 L186	H97-I143 HydrophobicContact CB-CD1 4.35Å; A123-I143 WeakPolarHBondContact O-CA 3.47Å; I124-I143 HydrophobicContact CB-CG1 4.49Å; I124-I143 HydrophobicContact CD1-CD1 4.25Å; I124-I143 HydrophobicContact CG1-CD1 4.18Å; I124-I143 HydrophobicContact CG1-CG1 4.05Å; I124-I143 HydrophobicContact CG2-CG1 4.26Å; Y141-I143 HydrophobicContact CD1-CG1 4.49Å; Y141-I143 HydrophobicContact CE1-CD1 3.75Å; Y141-I143 HydrophobicContact CE1-CG1 3.99Å; I143-M145 HydrophobicContact CB-CE 4.05Å; I143-M145 HydrophobicContact CG2-CE 3.66Å; I143-M145 HydrophobicContact CG2-SD 3.93Å; I143-M145 PolarHBondContact O-N 3.16Å; I143-I163 HydrophobicContact CD1-CD1 3.39Å; I143-Y181 PolarHBondContact N-O 3.05Å; I143-Y181 PolarHBondContact O-N 3.42Å; I143-L186 HydrophobicContact CB-CD1 4.42Å; I143-L186 HydrophobicContact CD1-CD1 3.94Å; I143-L186 HydrophobicContact CD1-CD2 4.38Å; I143-L186 HydrophobicContact CG1-CD1 3.92Å
144	D	97.9	Very high	96	Very high	20 Å²	20	46.7 Å²	46.7	11%	0.107	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	103.2	170.9	-173.6	-14	0	0	0	109.9	A123 T146 K147 C148 L180	A123-D144 PolarHBondContact O-N 3.02Å; D144-T146 PolarHBondContact O-N 3.32Å; D144-T146 WeakPolarHBondContact OD1-CB 3.46Å; D144-T146 PolarHBondContact OD1-N 3.23Å; D144-T146 PolarHBondContact OD1-OG1 2.7Å; D144-K147 HydrophobicContact CB-CB 4.32Å; D144-K147 HydrophobicContact CB-CD 4.12Å; D144-K147 HydrophobicContact CB-CG 4.32Å; D144-K147 PolarHBondContact O-N 3.43Å; D144-K147 VanDerWaalsContact O-N 3.16Å; D144-K147 VanDerWaalsContact OD2-CD 3.31Å; D144-K147 WeakPolarHBondContact OD2-CD 3.49Å; D144-K147 WeakPolarHBondContact OD2-CE 3.5Å; D144-K147 WeakPolarHBondContact OD2-CG 3.46Å; D144-K147 IonicContact OD2-NZ 3.45Å; D144-K147 PolarHBondContact OD2-NZ 3.37Å; D144-C148 PolarHBondContact O-N 2.9Å; D144-C148 VanDerWaalsContact O-N 3.07Å; D144-L180 HydrophobicContact CB-CD2 3.98Å; D144-L180 VanDerWaalsContact CG-CD2 3.41Å; D144-L180 WeakPolarHBondContact OD1-CD2 3.15Å
145	M	97.4	Very high	96.3	Very high	9 Å²	9	44.6 Å²	44.6	4%	0.044	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.5	-179.3	-64.3	-58.4	167.3	0	0	112.9	H97 I143 C148 Y150 L179 Y181 L186	H97-M145 HydrophobicContact CB-CE 3.7Å; I143-M145 HydrophobicContact CB-CE 4.05Å; I143-M145 HydrophobicContact CG2-CE 3.66Å; I143-M145 HydrophobicContact CG2-SD 3.93Å; I143-M145 PolarHBondContact O-N 3.16Å; M145-C148 HydrophobicContact SD-CB 4.47Å; M145-Y150 HydrophobicContact SD-CE1 4.49Å; M145-L179 HydrophobicContact CB-CB 4.22Å; M145-L179 HydrophobicContact CB-CD2 4.35Å; M145-L179 WeakPolarHBondContact CB-O 3.27Å; M145-L179 PolarHBondContact N-O 3.45Å; M145-Y181 HydrophobicContact CE-CD2 3.2Å; M145-Y181 HydrophobicContact CE-CE2 3.6Å; M145-Y181 HydrophobicContact CE-CG 3.9Å; M145-Y181 HydrophobicContact CG-CD1 4.27Å; M145-Y181 HydrophobicContact CG-CD2 4.04Å; M145-Y181 HydrophobicContact CG-CE1 4.23Å; M145-Y181 HydrophobicContact CG-CE2 4Å; M145-Y181 HydrophobicContact CG-CG 4.15Å; M145-Y181 HydrophobicContact SD-CD2 4.45Å; M145-Y181 HydrophobicContact SD-CE2 4.5Å; M145-L186 HydrophobicContact CE-CD2 4.09Å
146	T	97.1	Very high	96.7	Very high	66 Å²	66	48.4 Å²	48.4	41%	0.405	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-25	176.6	75.1	0	0	0	0	112.8	D144 H176 L179	D144-T146 PolarHBondContact O-N 3.32Å; D144-T146 WeakPolarHBondContact OD1-CB 3.46Å; D144-T146 PolarHBondContact OD1-N 3.23Å; D144-T146 PolarHBondContact OD1-OG1 2.7Å; T146-H176 WeakPolarHBondContact CG2-NE2 3.36Å; T146-L179 HydrophobicContact CG2-CB 3.87Å; T146-L179 HydrophobicContact CG2-CD1 3.84Å
147	K	98	Very high	96.9	Very high	112 Å²	112	44 Å²	44	49%	0.487	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-27.5	172.3	-67.3	175.9	-171.3	156	0	112.4	A121 A123 D144 I149	A121-K147 WeakPolarHBondContact CB-O 3.44Å; A123-K147 HydrophobicContact CB-CB 3.77Å; D144-K147 HydrophobicContact CB-CB 4.32Å; D144-K147 HydrophobicContact CB-CD 4.12Å; D144-K147 HydrophobicContact CB-CG 4.32Å; D144-K147 PolarHBondContact O-N 3.43Å; D144-K147 VanDerWaalsContact O-N 3.16Å; D144-K147 VanDerWaalsContact OD2-CD 3.31Å; D144-K147 WeakPolarHBondContact OD2-CD 3.49Å; D144-K147 WeakPolarHBondContact OD2-CE 3.5Å; D144-K147 WeakPolarHBondContact OD2-CG 3.46Å; D144-K147 IonicContact OD2-NZ 3.45Å; D144-K147 PolarHBondContact OD2-NZ 3.37Å; K147-I149 PolarHBondContact O-N 3.32Å
148	C	98.1	Very high	97.2	Very high	21 Å²	21	43.1 Å²	43.1	14%	0.142	22%	0.219	C	C	.	.			trans	-61.7	132.1	-177.1	-169.5	0	0	0	0	111.6	H97 A123 D144 M145 Y150	H97-C148 PolarHBondContact CE1-SG 3.4Å; A123-C148 HydrophobicContact CB-CB 4.35Å; D144-C148 PolarHBondContact O-N 2.9Å; D144-C148 VanDerWaalsContact O-N 3.07Å; M145-C148 HydrophobicContact SD-CB 4.47Å; C148-Y150 HydrophobicContact CB-CE2 4.39Å; C148-Y150 PolarHBondContact SG-N 2.88Å; C148-Y150 VanDerWaalsContact SG-N 3.44Å
149	I	98.2	Very high	97.3	Very high	106 Å²	106	46.8 Å²	46.8	54%	0.544	24%	0.243	S	C	.	.			trans	-100.7	7.6	177.7	65.7	164.5	0	0	0	113.3	P120 A121 K147 C151	P120-I149 HydrophobicContact CB-CD1 4.41Å; P120-I149 HydrophobicContact CG-CD1 3.58Å; P120-I149 HydrophobicContact CG-CG1 4.09Å; A121-I149 HydrophobicContact CB-CG2 4.22Å; K147-I149 PolarHBondContact O-N 3.32Å; I149-C151 VanDerWaalsContact C-N 3.25Å; I149-C151 HydrophobicContact CD1-CB 4.05Å; I149-C151 HydrophobicContact CG1-CB 3.99Å; I149-C151 PolarHBondContact O-N 2.74Å
150	Y	98.2	Very high	97.5	Very high	71 Å²	71	44.9 Å²	44.9	28%	0.278	23%	0.231	S	C	.	.			trans	51.3	40.8	178.2	-58.4	-89.5	0	0	0	114.1	G95 H97 M145 C148 E165 F171	G95-Y150 WeakPolarHBondContact O-CD1 3.49Å; H97-Y150 AromaticContact CE1-CD1 3.82Å; H97-Y150 AromaticContact CE1-CE1 3.87Å; H97-Y150 AromaticContact ND1-CE1 3.99Å; M145-Y150 HydrophobicContact SD-CE1 4.49Å; C148-Y150 HydrophobicContact CB-CE2 4.39Å; C148-Y150 PolarHBondContact SG-N 2.88Å; C148-Y150 VanDerWaalsContact SG-N 3.44Å; Y150-E165 WeakPolarHBondContact CA-OE1 3.05Å; Y150-F171 HydrophobicContact CE1-CZ 4.07Å; Y150-F171 WeakPolarHBondContact OH-CZ 3.37Å
151	C	97.6	Very high	97.5	Very high	35 Å²	35	43.8 Å²	43.8	24%	0.236	23%	0.231	C	C	.	.			trans	-81.5	-21.1	179.7	66.3	0	0	0	0	113.8	I149 F153	I149-C151 VanDerWaalsContact C-N 3.25Å; I149-C151 HydrophobicContact CD1-CB 4.05Å; I149-C151 HydrophobicContact CG1-CB 3.99Å; I149-C151 PolarHBondContact O-N 2.74Å; C151-F153 VanDerWaalsContact C-N 3.33Å; C151-F153 PolarHBondContact O-N 3.4Å
152	G	96.8	Very high	97.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	23%	0.232	C	C	.	.			trans	69.3	15.5	-178.7	0	0	0	0	0	118.4	C154 Q155 E156 E165	G152-C154 PolarHBondContact O-N 2.57Å; G152-Q155 WeakPolarHBondContact O-CB 3.49Å; G152-Q155 PolarHBondContact O-N 3.01Å; G152-Q155 VanDerWaalsContact O-N 3.14Å; G152-E156 PolarHBondContact O-N 2.88Å; G152-E165 WeakPolarHBondContact CA-OE1 3.26Å; G152-E165 WeakPolarHBondContact CA-OE2 3.31Å; G152-E165 PolarHBondContact N-OE1 3.06Å; G152-E165 PolarHBondContact N-OE2 2.8Å
153	F	98.1	Very high	97.5	Very high	94 Å²	94	42.7 Å²	42.7	41%	0.412	23%	0.226	S	C	.	.	H	α-helix	trans	-60.5	-30.1	170.1	-65.7	-16.4	0	0	0	112.6	I118 P120 C151 Q155 E156 A157	I118-F153 HydrophobicContact CG1-CB 4.06Å; I118-F153 HydrophobicContact CG2-CB 4.09Å; P120-F153 HydrophobicContact CG-CD2 4.27Å; P120-F153 HydrophobicContact CG-CE2 4.47Å; C151-F153 VanDerWaalsContact C-N 3.33Å; C151-F153 PolarHBondContact O-N 3.4Å; F153-Q155 VanDerWaalsContact C-N 3.32Å; F153-Q155 PolarHBondContact O-N 3.25Å; F153-E156 PolarHBondContact O-N 3.04Å; F153-A157 WeakPolarHBondContact O-CB 3.33Å; F153-A157 PolarHBondContact O-N 3.18Å
154	C	97.6	Very high	97.5	Very high	10 Å²	10	42.6 Å²	42.6	7%	0.068	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-35.5	176.3	55.8	0	0	0	0	112.5	C115 I124 G152 C158 I163	C115-C154 HydrophobicContact CB-CB 3.99Å; I124-C154 HydrophobicContact CD1-CB 4.05Å; G152-C154 PolarHBondContact O-N 2.57Å; C154-C158 WeakPolarHBondContact O-CB 3.41Å; C154-C158 PolarHBondContact O-N 2.98Å; C154-I163 HydrophobicContact CB-CG2 4.11Å; C154-I163 WeakPolarHBondContact O-CG2 3.24Å
155	Q	97.3	Very high	97.5	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.075	22%	0.223	C	C	.	.	H	α-helix	trans	-69.2	-44.1	176.8	175.3	176.1	-51.1	0	0	111.4	G152 F153	G152-Q155 WeakPolarHBondContact O-CB 3.49Å; G152-Q155 PolarHBondContact O-N 3.01Å; G152-Q155 VanDerWaalsContact O-N 3.14Å; F153-Q155 VanDerWaalsContact C-N 3.32Å; F153-Q155 PolarHBondContact O-N 3.25Å
156	E	97	Very high	97.4	Very high	115 Å²	115	41.9 Å²	41.9	54%	0.537	22%	0.223	S	C	.	.	H	α-helix	trans	-77.1	-31.6	-178.1	-67.4	169.9	-158.4	0	0	112.5	R94 G152 F153 C158	R94-E156 IonicContact CZ-OE1 4Å; R94-E156 IonicContact NH1-OE1 3.03Å; R94-E156 IonicContact NH2-OE1 3.99Å; R94-E156 PolarHBondContact NH2-OE1 3.27Å; G152-E156 PolarHBondContact O-N 2.88Å; F153-E156 PolarHBondContact O-N 3.04Å; E156-C158 VanDerWaalsContact C-N 3.32Å; E156-C158 PolarHBondContact O-N 3.1Å
157	A	97.4	Very high	97.4	Very high	29 Å²	29	39.4 Å²	39.4	24%	0.24	21%	0.208	C	C	.	.	H	α-helix	trans	-79.9	-12.1	179.2	0	0	0	0	0	113.9	I118 F153 P159	I118-A157 HydrophobicContact CB-CB 4.32Å; I118-A157 HydrophobicContact CG1-CB 4.45Å; I118-A157 HydrophobicContact CG2-CB 3.76Å; F153-A157 WeakPolarHBondContact O-CB 3.33Å; F153-A157 PolarHBondContact O-N 3.18Å; A157-P159 WeakPolarHBondContact O-CD 3.39Å
158	C	97.8	Very high	97.4	Very high	10 Å²	10	35 Å²	35	7%	0.068	19%	0.189	C	C	.	.			trans	-76	117.1	-176.7	-165.5	0	0	0	0	110.6	C154 E156 V160 D161 A162 I163	C154-C158 WeakPolarHBondContact O-CB 3.41Å; C154-C158 PolarHBondContact O-N 2.98Å; E156-C158 VanDerWaalsContact C-N 3.32Å; E156-C158 PolarHBondContact O-N 3.1Å; C158-V160 PolarHBondContact O-N 2.68Å; C158-V160 VanDerWaalsContact O-N 3.08Å; C158-D161 PolarHBondContact O-N 3.1Å; C158-A162 PolarHBondContact SG-N 2.78Å; C158-I163 HydrophobicContact CB-CG2 4.26Å
159	P	97.1	Very high	97.3	Very high	84 Å²	84	37.9 Å²	37.9	55%	0.545	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.3	-176.1	29.7	-36.8	0	0	0	114.2	A157	A157-P159 WeakPolarHBondContact O-CD 3.39Å
160	V	96.8	Very high	97.2	Very high	29 Å²	29	36.5 Å²	36.5	18%	0.176	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.2	10.3	-172.8	-66.4	0	0	0	0	112.4	R108 I110 C158 A162	R108-V160 WeakPolarHBondContact O-CG2 3.26Å; I110-V160 HydrophobicContact CD1-CG1 4.01Å; I110-V160 HydrophobicContact CG1-CG1 4.41Å; I110-V160 HydrophobicContact CG1-CG2 4.23Å; C158-V160 PolarHBondContact O-N 2.68Å; C158-V160 VanDerWaalsContact O-N 3.08Å; V160-A162 VanDerWaalsContact C-N 3.26Å; V160-A162 HydrophobicContact CG2-CB 3.9Å; V160-A162 PolarHBondContact O-N 2.8Å
161	D	96.3	Very high	97.2	Very high	62 Å²	62	34.8 Å²	34.8	33%	0.332	19%	0.185	S	C	.	.			trans	49.6	43.6	-175.4	-65.7	-39.9	0	0	0	113.3	R108 C158	R108-D161 WeakPolarHBondContact CD-O 3.43Å; C158-D161 PolarHBondContact O-N 3.1Å
162	A	97.5	Very high	97.1	Very high	3 Å²	3	39.1 Å²	39.1	3%	0.025	22%	0.216	C	C	.	.			trans	-79	-46.9	-178.2	0	0	0	0	0	113.3	L99 R100 R108 C109 C158 V160	L99-A162 WeakPolarHBondContact CA-O 3.3Å; R100-A162 PolarHBondContact N-O 2.86Å; R108-A162 HydrophobicContact CB-CB 3.67Å; C109-A162 HydrophobicContact CB-CB 3.96Å; C158-A162 PolarHBondContact SG-N 2.78Å; V160-A162 VanDerWaalsContact C-N 3.26Å; V160-A162 HydrophobicContact CG2-CB 3.9Å; V160-A162 PolarHBondContact O-N 2.8Å
163	I	97.7	Very high	97.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.7	174.5	-176.2	159.8	0	0	0	109.3	L99 C115 Y141 I143 C154 C158	L99-I163 HydrophobicContact CD2-CB 4.1Å; C115-I163 HydrophobicContact CB-CG2 4.32Å; Y141-I163 HydrophobicContact CE1-CD1 3.9Å; Y141-I163 WeakPolarHBondContact OH-CD1 3.43Å; I143-I163 HydrophobicContact CD1-CD1 3.39Å; C154-I163 HydrophobicContact CB-CG2 4.11Å; C154-I163 WeakPolarHBondContact O-CG2 3.24Å; C158-I163 HydrophobicContact CB-CG2 4.26Å
164	V	97.9	Very high	97.1	Very high	1 Å²	1	46 Å²	46	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.7	179.5	-61.9	0	0	0	0	109.4	H97 A98 R100 I197 I201	H97-V164 WeakPolarHBondContact CA-O 3.31Å; A98-V164 HydrophobicContact CB-CG2 4.07Å; A98-V164 PolarHBondContact N-O 2.76Å; A98-V164 PolarHBondContact O-N 2.76Å; R100-V164 HydrophobicContact CG-CG1 4.32Å; R100-V164 HydrophobicContact CG-CG2 3.79Å; V164-I197 HydrophobicContact CB-CG2 4.28Å; V164-I197 HydrophobicContact CG2-CD1 4Å; V164-I197 HydrophobicContact CG2-CG2 3.65Å; V164-I201 HydrophobicContact CG1-CD1 3.99Å
165	E	97.8	Very high	97.1	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	112.9	165.1	-71.2	175.1	153.1	0	0	107.5	R94 H97 Y150 G152	R94-E165 HydrophobicContact CB-CB 4.33Å; R94-E165 WeakPolarHBondContact CB-OE2 3.15Å; R94-E165 WeakPolarHBondContact CD-OE2 3.08Å; R94-E165 WeakPolarHBondContact CG-OE2 3.11Å; R94-E165 IonicContact NE-OE2 2.67Å; R94-E165 IonicContact NH1-OE2 3.92Å; R94-E165 PolarHBondContact NH1-OE2 2.86Å; H97-E165 IonicContact NE2-OE1 2.7Å; Y150-E165 WeakPolarHBondContact CA-OE1 3.05Å; G152-E165 WeakPolarHBondContact CA-OE1 3.26Å; G152-E165 WeakPolarHBondContact CA-OE2 3.31Å; G152-E165 PolarHBondContact N-OE1 3.06Å; G152-E165 PolarHBondContact N-OE2 2.8Å
166	G	95.6	Very high	97	Very high	4 Å²	4	51 Å²	51	4%	0.041	28%	0.277	C	S	.	.			trans	-78	175.2	-178.5	0	0	0	0	0	113.1	G95 E96 N168	G95-G166 CarbonylContact C-O 3.5Å; G95-G166 WeakPolarHBondContact CA-O 3.44Å; G95-G166 PolarHBondContact N-O 3.38Å; E96-G166 WeakPolarHBondContact O-CA 3.49Å; E96-G166 PolarHBondContact O-N 3.15Å; G166-N168 VanDerWaalsContact C-N 3.32Å; G166-N168 PolarHBondContact O-N 3.3Å
167	P	96.8	Very high	97	Very high	13 Å²	13	51.9 Å²	51.9	8%	0.084	28%	0.281	C	S	.	.	S	Bend	trans	-77.9	-15.7	-178.9	31.6	-35.1	0	0	0	113.5	W193 E196	P167-W193 HydrophobicContact CG-CE3 4.26Å; P167-E196 HydrophobicContact CB-CG 4.45Å; P167-E196 WeakPolarHBondContact CB-OE1 3.36Å; P167-E196 HydrophobicContact CG-CB 4.26Å; P167-E196 HydrophobicContact CG-CG 3.82Å
168	N	97.4	Very high	96.9	Very high	20 Å²	20	55.3 Å²	55.3	11%	0.107	29%	0.292	C	S	.	.			trans	-71.2	133	-175.2	-170.7	30.1	0	0	0	111.6	G95 E96 G166 E170 W193	G95-N168 CarbonylContact C-O 3.51Å; G95-N168 WeakPolarHBondContact CA-O 3.45Å; E96-N168 HydrophobicContact CB-CB 4.02Å; E96-N168 PolarHBondContact N-O 2.93Å; E96-N168 PolarHBondContact OE2-ND2 2.83Å; G166-N168 VanDerWaalsContact C-N 3.32Å; G166-N168 PolarHBondContact O-N 3.3Å; N168-E170 PolarHBondContact OD1-N 2.73Å; N168-W193 HydrophobicContact CB-CD2 4.47Å; N168-W193 HydrophobicContact CB-CH2 4.33Å; N168-W193 HydrophobicContact CB-CZ2 3.67Å
169	F	96.9	Very high	96.8	Very high	82 Å²	82	56.7 Å²	56.7	36%	0.36	30%	0.298	S	S	.	.			trans	-128.4	-7.5	175.7	60.1	-86.1	0	0	0	112.9	K86 L89 F93 F171	K86-F169 HydrophobicContact CD-CZ 4.48Å; L89-F169 HydrophobicContact CD1-CD1 3.99Å; L89-F169 HydrophobicContact CD1-CE1 3.52Å; L89-F169 HydrophobicContact CD1-CZ 4.42Å; F93-F169 HydrophobicContact CE1-CB 3.89Å; F93-F169 HydrophobicContact CE1-CD1 4.05Å; F93-F169 HydrophobicContact CE1-CG 4.35Å; F93-F169 HydrophobicContact CZ-CB 3.78Å; F93-F169 HydrophobicContact CZ-CD1 4.27Å; F93-F169 HydrophobicContact CZ-CG 4.25Å; F169-F171 PolarHBondContact O-N 3.34Å
170	E	96.7	Very high	96.9	Very high	76 Å²	76	56.3 Å²	56.3	36%	0.355	29%	0.291	S	S	.	.			trans	-100.4	64.3	-175.1	-64	169.2	-169.3	0	0	110	Y82 K86 N168	Y82-E170 PolarHBondContact OH-OE1 2.89Å; K86-E170 VanDerWaalsContact CE-OE1 3.3Å; K86-E170 WeakPolarHBondContact CE-OE1 3.43Å; K86-E170 IonicContact NZ-OE1 2.74Å; K86-E170 PolarHBondContact NZ-OE1 2.86Å; K86-E170 IonicContact NZ-OE2 3.25Å; K86-E170 PolarHBondContact NZ-OE2 2.9Å; N168-E170 PolarHBondContact OD1-N 2.73Å
171	F	96.6	Very high	96.9	Very high	36 Å²	36	55.2 Å²	55.2	16%	0.158	28%	0.284	C	S	.	.			trans	-127.6	28.5	-177.7	61.7	-89	0	0	0	113.2	E96 Y150 F169 T173 Y181	E96-F171 HydrophobicContact CB-CD1 3.74Å; E96-F171 HydrophobicContact CB-CE1 3.6Å; E96-F171 HydrophobicContact CB-CG 4.42Å; E96-F171 HydrophobicContact CB-CZ 4.17Å; E96-F171 HydrophobicContact CG-CD1 4.01Å; E96-F171 HydrophobicContact CG-CD2 4.4Å; E96-F171 HydrophobicContact CG-CE1 4.08Å; E96-F171 HydrophobicContact CG-CE2 4.47Å; E96-F171 HydrophobicContact CG-CG 4.18Å; E96-F171 HydrophobicContact CG-CZ 4.31Å; Y150-F171 HydrophobicContact CE1-CZ 4.07Å; Y150-F171 WeakPolarHBondContact OH-CZ 3.37Å; F169-F171 PolarHBondContact O-N 3.34Å; F171-T173 PolarHBondContact O-N 3.23Å; F171-Y181 VanDerWaalsContact CD2-OH 3.31Å; F171-Y181 WeakPolarHBondContact CD2-OH 3.3Å
172	S	96.7	Very high	97	Very high	126 Å²	126	56.6 Å²	56.6	88%	0.881	29%	0.291	S	S	*	.			trans	-56	134.1	171.6	-55.5	0	0	0	0	110.6
173	T	96.6	Very high	96.9	Very high	44 Å²	44	57.5 Å²	57.5	27%	0.27	30%	0.295	S	S	.	.			trans	-113.1	158.3	-179.1	56.3	0	0	0	0	110.3	F171 S175 E178 L179	F171-T173 PolarHBondContact O-N 3.23Å; T173-S175 PolarHBondContact OG1-O 3.23Å; T173-E178 VanDerWaalsContact CB-OE2 3.27Å; T173-E178 WeakPolarHBondContact CB-OE2 3.27Å; T173-E178 HydrophobicContact CG2-CB 3.61Å; T173-E178 WeakPolarHBondContact CG2-OE2 3.41Å; T173-L179 HydrophobicContact CG2-CD2 4.1Å; T173-L179 VanDerWaalsContact OG1-CG 3.3Å; T173-L179 WeakPolarHBondContact OG1-CG 3.17Å
174	E	97.3	Very high	96.9	Very high	196 Å²	196	63.2 Å²	63.2	92%	0.916	32%	0.322	S	S	*	.	S	Bend	trans	-80.8	-26.8	176.9	-60.9	-61.3	158	0	0	111.9
175	S	97.4	Very high	96.9	Very high	24 Å²	24	67.5 Å²	67.5	17%	0.168	34%	0.34	C	S	.	.	S	Bend	trans	-117.3	157.9	-177.4	75.3	0	0	0	0	112.4	T173 E177 E178	T173-S175 PolarHBondContact OG1-O 3.23Å; S175-E177 VanDerWaalsContact CB-CD 3.41Å; S175-E177 WeakPolarHBondContact CB-OE1 3.31Å; S175-E178 WeakPolarHBondContact OG-CG 3.37Å; S175-E178 PolarHBondContact OG-OE1 3.05Å
176	H	96.5	Very high	96.9	Very high	106 Å²	106	67 Å²	67	49%	0.491	34%	0.338	S	S	.	.	S	Bend	trans	-78	-36.9	179.8	176.1	-97.5	0	0	0	111.5	T146 E178 L179	T146-H176 WeakPolarHBondContact CG2-NE2 3.36Å; H176-E178 PolarHBondContact O-N 3.15Å; H176-L179 WeakPolarHBondContact O-CB 3.44Å; H176-L179 PolarHBondContact O-N 3.34Å
177	E	95.9	Very high	96.9	Very high	133 Å²	133	67.2 Å²	67.2	62%	0.621	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-60.7	-29.7	178.5	58.2	-90	-154.9	0	0	113	S175 L179 L180	S175-E177 VanDerWaalsContact CB-CD 3.41Å; S175-E177 WeakPolarHBondContact CB-OE1 3.31Å; E177-L179 PolarHBondContact O-N 3.02Å; E177-L180 PolarHBondContact O-N 3.05Å
178	E	95.8	Very high	97	Very high	102 Å²	102	71.1 Å²	71.1	48%	0.477	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-65.7	-24.9	175.7	-76	166.2	-131.9	0	0	112.6	T173 S175 H176 L180 Y181	T173-E178 VanDerWaalsContact CB-OE2 3.27Å; T173-E178 WeakPolarHBondContact CB-OE2 3.27Å; T173-E178 HydrophobicContact CG2-CB 3.61Å; T173-E178 WeakPolarHBondContact CG2-OE2 3.41Å; S175-E178 WeakPolarHBondContact OG-CG 3.37Å; S175-E178 PolarHBondContact OG-OE1 3.05Å; H176-E178 PolarHBondContact O-N 3.15Å; E178-L180 VanDerWaalsContact C-N 3.32Å; E178-Y181 VanDerWaalsContact O-CD1 3.26Å; E178-Y181 WeakPolarHBondContact O-CD1 3.16Å; E178-Y181 WeakPolarHBondContact O-CE1 3.4Å
179	L	96.7	Very high	97	Very high	38 Å²	38	70.6 Å²	70.6	20%	0.199	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-83.7	-5.6	178.5	-65.3	174.9	0	0	0	113.8	M145 T146 T173 H176 E177 Y181	M145-L179 HydrophobicContact CB-CB 4.22Å; M145-L179 HydrophobicContact CB-CD2 4.35Å; M145-L179 WeakPolarHBondContact CB-O 3.27Å; M145-L179 PolarHBondContact N-O 3.45Å; T146-L179 HydrophobicContact CG2-CB 3.87Å; T146-L179 HydrophobicContact CG2-CD1 3.84Å; T173-L179 HydrophobicContact CG2-CD2 4.1Å; T173-L179 VanDerWaalsContact OG1-CG 3.3Å; T173-L179 WeakPolarHBondContact OG1-CG 3.17Å; H176-L179 WeakPolarHBondContact O-CB 3.44Å; H176-L179 PolarHBondContact O-N 3.34Å; E177-L179 PolarHBondContact O-N 3.02Å; L179-Y181 PolarHBondContact O-N 3.06Å
180	L	97.2	Very high	97	Very high	77 Å²	77	66.7 Å²	66.7	40%	0.403	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	90.1	172.2	-59.8	175.8	0	0	0	108.3	D144 E177 E178	D144-L180 HydrophobicContact CB-CD2 3.98Å; D144-L180 VanDerWaalsContact CG-CD2 3.41Å; D144-L180 WeakPolarHBondContact OD1-CD2 3.15Å; E177-L180 PolarHBondContact O-N 3.05Å; E178-L180 VanDerWaalsContact C-N 3.32Å
181	Y	98	Very high	97	Very high	5 Å²	5	67 Å²	67	2%	0.02	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	128.3	-173.3	-73	10.1	0	0	0	110.8	E96 D142 I143 M145 F171 E178 L179 K185 L186	E96-Y181 HydrophobicContact CG-CE2 4.03Å; E96-Y181 WeakPolarHBondContact OE1-CE2 3.5Å; E96-Y181 PolarHBondContact OE1-OH 2.96Å; D142-Y181 CarbonylContact C-O 3.58Å; D142-Y181 WeakPolarHBondContact CA-O 3.2Å; I143-Y181 PolarHBondContact N-O 3.05Å; I143-Y181 PolarHBondContact O-N 3.42Å; M145-Y181 HydrophobicContact CE-CD2 3.2Å; M145-Y181 HydrophobicContact CE-CE2 3.6Å; M145-Y181 HydrophobicContact CE-CG 3.9Å; M145-Y181 HydrophobicContact CG-CD1 4.27Å; M145-Y181 HydrophobicContact CG-CD2 4.04Å; M145-Y181 HydrophobicContact CG-CE1 4.23Å; M145-Y181 HydrophobicContact CG-CE2 4Å; M145-Y181 HydrophobicContact CG-CG 4.15Å; M145-Y181 HydrophobicContact SD-CD2 4.45Å; M145-Y181 HydrophobicContact SD-CE2 4.5Å; F171-Y181 VanDerWaalsContact CD2-OH 3.31Å; F171-Y181 WeakPolarHBondContact CD2-OH 3.3Å; E178-Y181 VanDerWaalsContact O-CD1 3.26Å; E178-Y181 WeakPolarHBondContact O-CD1 3.16Å; E178-Y181 WeakPolarHBondContact O-CE1 3.4Å; L179-Y181 PolarHBondContact O-N 3.06Å; Y181-K185 HydrophobicContact CD1-CG 4.05Å; Y181-K185 HydrophobicContact CD2-CG 4.03Å; Y181-K185 HydrophobicContact CE1-CG 4.41Å; Y181-K185 HydrophobicContact CE2-CG 4.4Å; Y181-K185 HydrophobicContact CG-CG 3.87Å; Y181-L186 HydrophobicContact CD2-CD2 3.87Å; Y181-L186 HydrophobicContact CD2-CG 4.5Å
182	N	97.6	Very high	97	Very high	91 Å²	91	72.5 Å²	72.5	49%	0.487	37%	0.366	S	S	.	.			trans	-87.9	168.4	169	-60.1	-31.4	0	0	0	110.9	Y141 D142 E184 K185 L186	Y141-N182 CarbonylContact O-C 3.45Å; D142-N182 WeakPolarHBondContact OD1-CA 3.42Å; N182-E184 PolarHBondContact O-N 3.07Å; N182-K185 WeakPolarHBondContact O-CB 3.39Å; N182-K185 PolarHBondContact O-N 3.26Å; N182-L186 PolarHBondContact O-N 2.78Å
183	K	96.9	Very high	97.1	Very high	22 Å²	22	69.2 Å²	69.2	10%	0.096	34%	0.335	C	S	.	.	H	α-helix	trans	-49.4	-45.2	176.1	-174.7	-178	177.9	-177.4	0	112.8	L99 E107 T138 Y141 K185 L186 L187	L99-K183 HydrophobicContact CD1-CG 4.07Å; E107-K183 VanDerWaalsContact CD-NZ 3.26Å; E107-K183 IonicContact OE1-NZ 3.69Å; E107-K183 PolarHBondContact OE1-NZ 2.91Å; E107-K183 WeakPolarHBondContact OE2-CE 3.45Å; E107-K183 IonicContact OE2-NZ 2.81Å; E107-K183 PolarHBondContact OE2-NZ 2.87Å; T138-K183 PolarHBondContact O-NZ 3.33Å; T138-K183 VanDerWaalsContact OG1-CE 3.26Å; T138-K183 WeakPolarHBondContact OG1-CE 3.49Å; T138-K183 PolarHBondContact OG1-NZ 3.48Å; T138-K183 VanDerWaalsContact OG1-NZ 3.15Å; Y141-K183 VanDerWaalsContact O-CA 3.23Å; Y141-K183 WeakPolarHBondContact O-CA 3.47Å; Y141-K183 PolarHBondContact O-N 3.47Å; K183-K185 PolarHBondContact O-N 3.4Å; K183-L186 PolarHBondContact O-N 3.24Å; K183-L187 HydrophobicContact CG-CD1 4.13Å; K183-L187 HydrophobicContact CG-CG 4.49Å; K183-L187 WeakPolarHBondContact O-CG 3.45Å; K183-L187 PolarHBondContact O-N 2.91Å
184	E	97	Very high	97.1	Very high	122 Å²	122	69.7 Å²	69.7	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-64.1	-39.3	-177.8	-58.5	-55.8	157	0	0	112.4	N182 L186 L187 N188	N182-E184 PolarHBondContact O-N 3.07Å; E184-L186 VanDerWaalsContact C-N 3.34Å; E184-L186 PolarHBondContact O-N 3.09Å; E184-L187 PolarHBondContact O-N 3.49Å; E184-N188 WeakPolarHBondContact O-CB 2.96Å; E184-N188 PolarHBondContact O-N 3.15Å; E184-N188 PolarHBondContact O-ND2 3.43Å
185	K	97.2	Very high	97.1	Very high	91 Å²	91	64.4 Å²	64.4	40%	0.396	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-43.1	176.4	179.5	61.1	175	178.3	0	110.7	Y181 N182 K183 N188 N189	Y181-K185 HydrophobicContact CD1-CG 4.05Å; Y181-K185 HydrophobicContact CD2-CG 4.03Å; Y181-K185 HydrophobicContact CE1-CG 4.41Å; Y181-K185 HydrophobicContact CE2-CG 4.4Å; Y181-K185 HydrophobicContact CG-CG 3.87Å; N182-K185 WeakPolarHBondContact O-CB 3.39Å; N182-K185 PolarHBondContact O-N 3.26Å; K183-K185 PolarHBondContact O-N 3.4Å; K185-N188 PolarHBondContact O-N 2.84Å; K185-N189 PolarHBondContact O-N 3.36Å; K185-N189 PolarHBondContact O-OD1 2.86Å
186	L	97.5	Very high	97	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-67	-36.5	178.2	-66.7	166.5	0	0	0	112.8	H97 L99 Y141 I143 M145 Y181 N182 K183 E184 N189 G190	H97-L186 HydrophobicContact CB-CD2 3.74Å; H97-L186 WeakPolarHBondContact O-CD2 3.45Å; L99-L186 HydrophobicContact CB-CB 4.26Å; L99-L186 HydrophobicContact CD1-CB 3.9Å; L99-L186 HydrophobicContact CD1-CD1 4.39Å; L99-L186 HydrophobicContact CG-CB 3.9Å; L99-L186 PolarHBondContact N-O 3.37Å; Y141-L186 HydrophobicContact CD1-CD1 3.57Å; Y141-L186 HydrophobicContact CE1-CD1 3.82Å; I143-L186 HydrophobicContact CB-CD1 4.42Å; I143-L186 HydrophobicContact CD1-CD1 3.94Å; I143-L186 HydrophobicContact CD1-CD2 4.38Å; I143-L186 HydrophobicContact CG1-CD1 3.92Å; M145-L186 HydrophobicContact CE-CD2 4.09Å; Y181-L186 HydrophobicContact CD2-CD2 3.87Å; Y181-L186 HydrophobicContact CD2-CG 4.5Å; N182-L186 PolarHBondContact O-N 2.78Å; K183-L186 PolarHBondContact O-N 3.24Å; E184-L186 VanDerWaalsContact C-N 3.34Å; E184-L186 PolarHBondContact O-N 3.09Å; L186-N189 PolarHBondContact O-N 2.96Å; L186-G190 PolarHBondContact O-N 3.19Å
187	L	97.2	Very high	97.1	Very high	7 Å²	7	62.6 Å²	62.6	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-67.1	-44.2	172.9	-75	172.5	0	0	0	111.4	L99 E107 K183 E184 N189 G190 D191	L99-L187 HydrophobicContact CB-CD2 3.72Å; L99-L187 HydrophobicContact CB-CG 4.2Å; L99-L187 HydrophobicContact CD1-CD2 4.42Å; L99-L187 HydrophobicContact CD1-CG 4.31Å; E107-L187 HydrophobicContact CB-CD2 4.47Å; K183-L187 HydrophobicContact CG-CD1 4.13Å; K183-L187 HydrophobicContact CG-CG 4.49Å; K183-L187 WeakPolarHBondContact O-CG 3.45Å; K183-L187 PolarHBondContact O-N 2.91Å; E184-L187 PolarHBondContact O-N 3.49Å; L187-N189 VanDerWaalsContact C-N 3.25Å; L187-N189 PolarHBondContact O-N 3.47Å; L187-G190 CarbonylContact O-C 3.6Å; L187-G190 WeakPolarHBondContact O-CA 3.29Å; L187-G190 PolarHBondContact O-N 3.4Å; L187-D191 PolarHBondContact O-N 3.12Å
188	N	97.8	Very high	97.1	Very high	96 Å²	96	58.1 Å²	58.1	51%	0.513	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-38	175.2	-70.9	-31.8	0	0	0	111.9	E184 K185 D191 K192	E184-N188 WeakPolarHBondContact O-CB 2.96Å; E184-N188 PolarHBondContact O-N 3.15Å; E184-N188 PolarHBondContact O-ND2 3.43Å; K185-N188 PolarHBondContact O-N 2.84Å; N188-D191 PolarHBondContact O-N 3.44Å; N188-K192 VanDerWaalsContact O-CB 3.31Å; N188-K192 WeakPolarHBondContact O-CB 3.39Å; N188-K192 PolarHBondContact O-N 2.85Å
189	N	97.8	Very high	97.2	Very high	8 Å²	8	56 Å²	56	4%	0.043	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-42.4	173.8	-70.1	-7.7	0	0	0	111.5	E96 H97 A98 K185 L186 L187 K192 W193	E96-N189 VanDerWaalsContact CD-ND2 3.28Å; E96-N189 PolarHBondContact OE1-ND2 2.91Å; E96-N189 PolarHBondContact OE1-OD1 2.94Å; H97-N189 PolarHBondContact O-ND2 3.48Å; A98-N189 HydrophobicContact CB-CB 4.21Å; K185-N189 PolarHBondContact O-N 3.36Å; K185-N189 PolarHBondContact O-OD1 2.86Å; L186-N189 PolarHBondContact O-N 2.96Å; L187-N189 VanDerWaalsContact C-N 3.25Å; L187-N189 PolarHBondContact O-N 3.47Å; N189-K192 PolarHBondContact O-N 3.44Å; N189-W193 WeakPolarHBondContact O-CB 3.41Å; N189-W193 PolarHBondContact O-N 3.41Å
190	G	97.1	Very high	97.2	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-52	172.5	0	0	0	0	0	111.9	L99 L186 L187 K192 W193 E194	L99-G190 WeakPolarHBondContact O-CA 3.47Å; L186-G190 PolarHBondContact O-N 3.19Å; L187-G190 CarbonylContact O-C 3.6Å; L187-G190 WeakPolarHBondContact O-CA 3.29Å; L187-G190 PolarHBondContact O-N 3.4Å; G190-K192 VanDerWaalsContact C-N 3.26Å; G190-K192 PolarHBondContact O-N 3.03Å; G190-W193 PolarHBondContact O-N 3.18Å; G190-E194 WeakPolarHBondContact O-CA 3.4Å; G190-E194 VanDerWaalsContact O-CB 3.22Å; G190-E194 WeakPolarHBondContact O-CB 3.46Å; G190-E194 PolarHBondContact O-N 2.96Å
191	D	97	Very high	97.2	Very high	82 Å²	82	53.7 Å²	53.7	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-35	-179.3	-66	-29.5	0	0	0	111.9	R101 L187 N188	R101-D191 VanDerWaalsContact CD-OD1 3.28Å; R101-D191 WeakPolarHBondContact CD-OD1 3.09Å; R101-D191 IonicContact CZ-OD1 2.66Å; R101-D191 IonicContact CZ-OD2 2.99Å; R101-D191 IonicContact NE-OD1 3.88Å; R101-D191 PolarHBondContact NE-OD1 3.49Å; R101-D191 IonicContact NE-OD2 3.79Å; R101-D191 PolarHBondContact NE-OD2 3.25Å; R101-D191 IonicContact NH2-OD2 3.64Å; R101-D191 PolarHBondContact NH2-OD2 2.83Å; L187-D191 PolarHBondContact O-N 3.12Å; N188-D191 PolarHBondContact O-N 3.44Å
192	K	97.1	Very high	97.1	Very high	151 Å²	151	59.6 Å²	59.6	66%	0.657	32%	0.315	S	S	*	.	H	α-helix	trans	-70.6	-41.2	175.7	-175.9	179.8	176.4	-174	0	113.2	N188 N189 G190	N188-K192 VanDerWaalsContact O-CB 3.31Å; N188-K192 WeakPolarHBondContact O-CB 3.39Å; N188-K192 PolarHBondContact O-N 2.85Å; N189-K192 PolarHBondContact O-N 3.44Å; G190-K192 VanDerWaalsContact C-N 3.26Å; G190-K192 PolarHBondContact O-N 3.03Å
193	W	97.6	Very high	97.1	Very high	58 Å²	58	58 Å²	58	22%	0.22	31%	0.314	C	S	.	.	H	α-helix	trans	-107.7	2	-169.5	-64	110.9	0	0	0	114.4	P167 N168 N189 G190 A195 E196 I197	P167-W193 HydrophobicContact CG-CE3 4.26Å; N168-W193 HydrophobicContact CB-CD2 4.47Å; N168-W193 HydrophobicContact CB-CH2 4.33Å; N168-W193 HydrophobicContact CB-CZ2 3.67Å; N189-W193 WeakPolarHBondContact O-CB 3.41Å; N189-W193 PolarHBondContact O-N 3.41Å; G190-W193 PolarHBondContact O-N 3.18Å; W193-A195 VanDerWaalsContact C-N 3.26Å; W193-A195 PolarHBondContact O-N 3.09Å; W193-A195 VanDerWaalsContact O-N 3.13Å; W193-E196 VanDerWaalsContact CZ3-OE2 3.3Å; W193-E196 WeakPolarHBondContact CZ3-OE2 3.41Å; W193-E196 PolarHBondContact O-N 2.99Å; W193-I197 HydrophobicContact CB-CD1 3.67Å; W193-I197 HydrophobicContact CB-CG1 4.01Å; W193-I197 VanDerWaalsContact O-CG1 3.26Å; W193-I197 WeakPolarHBondContact O-CG1 3.26Å; W193-I197 PolarHBondContact O-N 3.26Å
194	E	97	Very high	97.1	Very high	53 Å²	53	57.6 Å²	57.6	25%	0.248	31%	0.313	C	S	.	.	H	α-helix	trans	-53.3	-40	-172.7	179.8	60.1	-162.4	0	0	113.2	R100 G190 E196 A198	R100-E194 WeakPolarHBondContact CG-OE2 3.46Å; R100-E194 IonicContact CZ-OE1 3.38Å; R100-E194 IonicContact CZ-OE2 2.82Å; R100-E194 IonicContact NE-OE1 3.35Å; R100-E194 PolarHBondContact NE-OE1 3.02Å; R100-E194 IonicContact NE-OE2 3.55Å; R100-E194 PolarHBondContact NE-OE2 3.18Å; R100-E194 IonicContact NH2-OE1 2.85Å; R100-E194 PolarHBondContact NH2-OE1 3.22Å; R100-E194 IonicContact NH2-OE2 3.23Å; G190-E194 WeakPolarHBondContact O-CA 3.4Å; G190-E194 VanDerWaalsContact O-CB 3.22Å; G190-E194 WeakPolarHBondContact O-CB 3.46Å; G190-E194 PolarHBondContact O-N 2.96Å; E194-E196 PolarHBondContact O-N 3.16Å; E194-A198 WeakPolarHBondContact O-CB 3.49Å; E194-A198 PolarHBondContact O-N 2.87Å
195	A	96.6	Very high	97	Very high	86 Å²	86	57.3 Å²	57.3	71%	0.711	31%	0.308	S	S	*	.	H	α-helix	trans	-62.1	-43.6	-180	0	0	0	0	0	112.3	W193 A199	W193-A195 VanDerWaalsContact C-N 3.26Å; W193-A195 PolarHBondContact O-N 3.09Å; W193-A195 VanDerWaalsContact O-N 3.13Å; A195-A199 PolarHBondContact O-N 3.33Å
196	E	96.8	Very high	97	Very high	85 Å²	85	59.1 Å²	59.1	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-77.3	-41.1	-179	-166.9	175.6	171.4	0	0	111.4	P167 W193 E194 A198 A199 N200	P167-E196 HydrophobicContact CB-CG 4.45Å; P167-E196 WeakPolarHBondContact CB-OE1 3.36Å; P167-E196 HydrophobicContact CG-CB 4.26Å; P167-E196 HydrophobicContact CG-CG 3.82Å; W193-E196 VanDerWaalsContact CZ3-OE2 3.3Å; W193-E196 WeakPolarHBondContact CZ3-OE2 3.41Å; W193-E196 PolarHBondContact O-N 2.99Å; E194-E196 PolarHBondContact O-N 3.16Å; E196-A198 VanDerWaalsContact C-N 3.32Å; E196-A198 PolarHBondContact O-N 2.88Å; E196-A199 PolarHBondContact O-N 3.37Å; E196-N200 PolarHBondContact O-N 3.28Å
197	I	97.3	Very high	96.9	Very high	6 Å²	6	67.5 Å²	67.5	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-60.9	-43.6	174.8	-62.6	169.8	0	0	0	110.1	A98 R100 V164 W193 A199 N200 I201	A98-I197 HydrophobicContact CB-CD1 3.8Å; R100-I197 HydrophobicContact CG-CG2 4.48Å; R100-I197 VanDerWaalsContact NH1-CG2 3.27Å; V164-I197 HydrophobicContact CB-CG2 4.28Å; V164-I197 HydrophobicContact CG2-CD1 4Å; V164-I197 HydrophobicContact CG2-CG2 3.65Å; W193-I197 HydrophobicContact CB-CD1 3.67Å; W193-I197 HydrophobicContact CB-CG1 4.01Å; W193-I197 VanDerWaalsContact O-CG1 3.26Å; W193-I197 WeakPolarHBondContact O-CG1 3.26Å; W193-I197 PolarHBondContact O-N 3.26Å; I197-A199 VanDerWaalsContact C-N 3.35Å; I197-A199 PolarHBondContact O-N 2.93Å; I197-N200 PolarHBondContact O-N 3.42Å; I197-I201 HydrophobicContact CG2-CD1 4.42Å; I197-I201 WeakPolarHBondContact O-CG1 3.36Å; I197-I201 PolarHBondContact O-N 2.85Å
198	A	96.9	Very high	96.5	Very high	39 Å²	39	73.9 Å²	73.9	32%	0.322	38%	0.377	S	S	.	.	H	α-helix	trans	-60.2	-43.6	175.4	0	0	0	0	0	112	E194 E196 I201 Q202	E194-A198 WeakPolarHBondContact O-CB 3.49Å; E194-A198 PolarHBondContact O-N 2.87Å; E196-A198 VanDerWaalsContact C-N 3.32Å; E196-A198 PolarHBondContact O-N 2.88Å; A198-I201 PolarHBondContact O-N 3.39Å; A198-Q202 VanDerWaalsContact O-CB 3.3Å; A198-Q202 WeakPolarHBondContact O-CB 3.33Å; A198-Q202 PolarHBondContact O-N 3.2Å
199	A	97.4	Very high	96.4	Very high	58 Å²	58	72.8 Å²	72.8	48%	0.479	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-43.5	176.8	0	0	0	0	0	112.3	A195 E196 I197 Q202 A203	A195-A199 PolarHBondContact O-N 3.33Å; E196-A199 PolarHBondContact O-N 3.37Å; I197-A199 VanDerWaalsContact C-N 3.35Å; I197-A199 PolarHBondContact O-N 2.93Å; A199-Q202 PolarHBondContact O-N 2.97Å; A199-A203 PolarHBondContact O-N 2.78Å
200	N	97.2	Very high	96.3	Very high	40 Å²	40	76.2 Å²	76.2	21%	0.214	39%	0.388	C	S	.	.	H	α-helix	trans	-66.4	-42.4	178.6	-74.1	-22.6	0	0	0	112.2	P91 E196 I197 Q202 A203 D204	P91-N200 HydrophobicContact CB-CB 4.34Å; E196-N200 PolarHBondContact O-N 3.28Å; I197-N200 PolarHBondContact O-N 3.42Å; N200-Q202 VanDerWaalsContact C-N 3.33Å; N200-A203 WeakPolarHBondContact O-CB 3.34Å; N200-A203 PolarHBondContact O-N 2.96Å; N200-D204 WeakPolarHBondContact O-CB 3.49Å; N200-D204 PolarHBondContact O-N 3.41Å; N200-D204 VanDerWaalsContact O-N 3.09Å
201	I	95.9	Very high	96.3	Very high	26 Å²	26	80.3 Å²	80.3	13%	0.133	41%	0.409	C	S	.	.	H	α-helix	trans	-64.6	-40.8	174.1	-65.1	-163.2	0	0	0	110.7	V164 I197 A198 A203 D204 Y205	V164-I201 HydrophobicContact CG1-CD1 3.99Å; I197-I201 HydrophobicContact CG2-CD1 4.42Å; I197-I201 WeakPolarHBondContact O-CG1 3.36Å; I197-I201 PolarHBondContact O-N 2.85Å; A198-I201 PolarHBondContact O-N 3.39Å; I201-A203 PolarHBondContact O-N 2.85Å; I201-D204 PolarHBondContact O-N 2.84Å; I201-Y205 WeakPolarHBondContact O-CB 3.26Å; I201-Y205 PolarHBondContact O-N 3.38Å
202	Q	97.1	Very high	96.3	Very high	130 Å²	130	80.2 Å²	80.2	61%	0.607	41%	0.407	S	S	*	.	H	α-helix	trans	-61.1	-27.2	176.2	-173.5	60	28.1	0	0	112.5	A198 A199 N200 Y205	A198-Q202 VanDerWaalsContact O-CB 3.3Å; A198-Q202 WeakPolarHBondContact O-CB 3.33Å; A198-Q202 PolarHBondContact O-N 3.2Å; A199-Q202 PolarHBondContact O-N 2.97Å; N200-Q202 VanDerWaalsContact C-N 3.33Å; Q202-Y205 WeakPolarHBondContact O-CD1 3.39Å; Q202-Y205 WeakPolarHBondContact O-CE1 3.37Å
203	A	97.3	Very high	96.2	Very high	58 Å²	58	75.8 Å²	75.8	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-80.3	-28.2	173.2	0	0	0	0	0	113.5	P91 A199 N200 I201	P91-A203 HydrophobicContact CB-CB 4.21Å; P91-A203 HydrophobicContact CG-CB 4.34Å; A199-A203 PolarHBondContact O-N 2.78Å; N200-A203 WeakPolarHBondContact O-CB 3.34Å; N200-A203 PolarHBondContact O-N 2.96Å; I201-A203 PolarHBondContact O-N 2.85Å
204	D	96.4	Very high	96.1	Very high	12 Å²	12	77 Å²	77	6%	0.064	40%	0.403	C	S	.	.	H	α-helix	trans	-107.1	-19.7	-168.5	-176	53.6	0	0	0	115.3	R92 N200 I201 L206 Y207 R208	R92-D204 WeakPolarHBondContact CG-OD1 3.46Å; R92-D204 IonicContact CZ-OD1 2.84Å; R92-D204 IonicContact NE-OD1 2.86Å; R92-D204 PolarHBondContact NE-OD1 3.05Å; R92-D204 IonicContact NH2-OD1 3.58Å; R92-D204 PolarHBondContact NH2-OD1 3.45Å; N200-D204 WeakPolarHBondContact O-CB 3.49Å; N200-D204 PolarHBondContact O-N 3.41Å; N200-D204 VanDerWaalsContact O-N 3.09Å; I201-D204 PolarHBondContact O-N 2.84Å; D204-L206 PolarHBondContact O-N 3.41Å; D204-Y207 PolarHBondContact O-N 3Å; D204-R208 IonicContact OD2-CZ 3.27Å; D204-R208 IonicContact OD2-NE 3.09Å; D204-R208 PolarHBondContact OD2-NE 3.49Å; D204-R208 IonicContact OD2-NH2 3.26Å; D204-R208 PolarHBondContact OD2-NH2 3Å; D204-R208 VanDerWaalsContact OD2-NH2 3.1Å
205	Y	94.8	Very high	96	Very high	117 Å²	117	78.7 Å²	78.7	46%	0.459	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-55.9	-24.8	-167.2	74.9	-81.1	0	0	0	115.9	I201 Q202 Y207	I201-Y205 WeakPolarHBondContact O-CB 3.26Å; I201-Y205 PolarHBondContact O-N 3.38Å; Q202-Y205 WeakPolarHBondContact O-CD1 3.39Å; Q202-Y205 WeakPolarHBondContact O-CE1 3.37Å; Y205-Y207 VanDerWaalsContact C-N 3.28Å; Y205-Y207 PolarHBondContact O-N 3.24Å
206	L	97.1	Very high	96	Very high	129 Å²	129	78.2 Å²	78.2	68%	0.675	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-75.2	-14.1	178.8	-68	173.8	0	0	0	114.2	D204	D204-L206 PolarHBondContact O-N 3.41Å
207	Y	96.6	Very high	95.9	Very high	176 Å²	176	77.6 Å²	77.6	69%	0.69	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-105	7.2	-175.3	-61.6	-85.1	0	0	0	113.1	D204 Y205	D204-Y207 PolarHBondContact O-N 3Å; Y205-Y207 VanDerWaalsContact C-N 3.28Å; Y205-Y207 PolarHBondContact O-N 3.24Å
208	R	87.4	Confident	95.8	Very high	140 Å²	140	84.1 Å²	84.1	53%	0.528	42%	0.423	S	S	.	.			trans	-97.6	0	179.3	-63	-175.4	-176.1	-170.6	-0.2	111.9	D204	D204-R208 IonicContact OD2-CZ 3.27Å; D204-R208 IonicContact OD2-NE 3.09Å; D204-R208 PolarHBondContact OD2-NE 3.49Å; D204-R208 IonicContact OD2-NH2 3.26Å; D204-R208 PolarHBondContact OD2-NH2 3Å; D204-R208 VanDerWaalsContact OD2-NH2 3.1Å

Retrieved 208 of 208 residues in 459.1 ms (Link to these results)

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