A0A077ZLD3_TRITR Loading...

glycine dehydrogenase (aminomethyl-transferring)

AlphaFold DB , UniProt , Accession A0A077ZLD3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 320 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.8	Very low	44.9	Very low	232 Å²	232	148.4 Å²	148.4	100%	1.143	73%	0.725	S	S	*	*				0	-12.7	0	-130.8	169.4	178	0	0	114.5
2	M	45.4	Very low	44.8	Very low	168 Å²	168	142.9 Å²	142.9	83%	0.828	71%	0.713	S	S	*	*			trans	-86.1	-13.8	-179	-85	180	-145.8	0	0	116.7	S5	M2-S5 PolarHBondContact O-OG 3.03Å
3	I	49.6	Very low	44.6	Very low	145 Å²	145	139.8 Å²	139.8	74%	0.744	71%	0.705	S	S	*	*	H	α-helix	trans	-83.1	-26.9	-177.4	-69.5	167.3	0	0	0	111.7
4	N	46.6	Very low	44.5	Very low	128 Å²	128	141.4 Å²	141.4	68%	0.684	71%	0.705	S	S	*	*	H	α-helix	trans	-80	-14.2	178.5	-76.2	-13.2	0	0	0	114
5	S	47	Very low	44.8	Very low	61 Å²	61	139.1 Å²	139.1	43%	0.427	72%	0.717	S	S	.	*	H	α-helix	trans	-79.8	-28.6	175.5	40	0	0	0	0	112.8	M2 R8	M2-S5 PolarHBondContact O-OG 3.03Å; S5-R8 PolarHBondContact O-N 3.33Å
6	F	43.4	Very low	45.4	Very low	178 Å²	178	143.4 Å²	143.4	78%	0.781	72%	0.723	S	S	*	*	H	α-helix	trans	-74	-32.8	178.6	-126.8	-93.9	0	0	0	112.8	R8	F6-R8 VanDerWaalsContact C-N 3.3Å; F6-R8 PolarHBondContact O-N 2.91Å
7	V	47.6	Very low	46.5	Very low	82 Å²	82	139.3 Å²	139.3	50%	0.497	72%	0.717	S	S	.	*	H	α-helix	trans	-76.5	-17.2	178.3	-178	0	0	0	0	112.5	S10	V7-S10 PolarHBondContact O-OG 3.41Å
8	R	40.8	Very low	47.9	Very low	207 Å²	207	140.2 Å²	140.2	78%	0.781	72%	0.722	S	S	*	*	H	α-helix	trans	-86	-26.5	175.3	-85.4	-175.5	173.3	-169.8	-1.5	113.8	S5 F6	S5-R8 PolarHBondContact O-N 3.33Å; F6-R8 VanDerWaalsContact C-N 3.3Å; F6-R8 PolarHBondContact O-N 2.91Å
9	L	40.3	Very low	49.2	Very low	127 Å²	127	138.7 Å²	138.7	67%	0.665	72%	0.723	S	S	*	*	H	α-helix	trans	-74.8	-25.3	173.5	-99.2	99.5	0	0	0	113.4	R11	L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 3.22Å
10	S	45.3	Very low	50.4	Low	85 Å²	85	136.2 Å²	136.2	59%	0.594	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-13.8	-179.8	65.6	0	0	0	0	114.3	V7	V7-S10 PolarHBondContact O-OG 3.41Å
11	R	39.6	Very low	51.6	Low	219 Å²	219	137.8 Å²	137.8	83%	0.826	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-10.3	179.5	-70.6	-173.8	174.7	-166.8	-0.5	114.1	L9	L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 3.22Å
12	S	43.9	Very low	53.2	Low	83 Å²	83	128.7 Å²	128.7	58%	0.58	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	-7.1	-179	70.3	0	0	0	0	115	K14	S12-K14 PolarHBondContact O-N 3.18Å
13	V	43.1	Very low	55.1	Low	102 Å²	102	122.5 Å²	122.5	62%	0.618	64%	0.642	S	S	*	*	S	Bend	trans	-73.4	73.3	159.8	-171.8	0	0	0	0	106.9	A17	V13-A17 HydrophobicContact CG1-CB 4.15Å
14	K	42	Very low	56.8	Low	162 Å²	162	119.6 Å²	119.6	70%	0.704	63%	0.628	S	S	*	*			trans	-44	145.1	172.6	-77.2	173	169.3	175.9	0	108.6	S12 Y16	S12-K14 PolarHBondContact O-N 3.18Å; K14-Y16 HydrophobicContact CB-CD2 4.08Å; K14-Y16 PolarHBondContact O-N 2.95Å
15	A	49.7	Very low	58.7	Low	107 Å²	107	116 Å²	116	88%	0.884	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	39.8	-177.2	0	0	0	0	0	117.5
16	Y	54.2	Low	60.6	Low	208 Å²	208	121.9 Å²	121.9	82%	0.816	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	-1.8	-176.4	-79.6	-85.6	0	0	0	112.9	K14 L18	K14-Y16 HydrophobicContact CB-CD2 4.08Å; K14-Y16 PolarHBondContact O-N 2.95Å; Y16-L18 PolarHBondContact O-N 2.66Å
17	A	63.5	Low	62.8	Low	74 Å²	74	122.2 Å²	122.2	61%	0.612	63%	0.625	S	S	*	*	S	Bend	trans	-79.3	-14.5	-173.6	0	0	0	0	0	114.8	V13	V13-A17 HydrophobicContact CG1-CB 4.15Å
18	L	73.1	Confident	64.9	Low	155 Å²	155	126 Å²	126	81%	0.812	64%	0.637	S	S	*	*	S	Bend	trans	-136.6	120.5	176.5	-66.9	171.4	0	0	0	109	Y16	Y16-L18 PolarHBondContact O-N 2.66Å
19	P	71.9	Confident	67.5	Low	113 Å²	113	120.5 Å²	120.5	73%	0.734	62%	0.622	S	S	*	*			trans	-63	149.9	173.9	28.1	-33.6	0	0	0	109.8	L21	P19-L21 PolarHBondContact O-N 2.92Å
20	K	72.8	Confident	70.1	Confident	87 Å²	87	117.7 Å²	117.7	38%	0.378	62%	0.623	S	S	.	*			trans	-62.2	129.1	171.6	-72.4	-162.9	177.7	-167.4	0	109.1	D22 G73 E78	K20-D22 VanDerWaalsContact C-N 3.26Å; K20-D22 PolarHBondContact O-N 3.48Å; K20-G73 WeakPolarHBondContact CD-O 3.18Å; K20-G73 WeakPolarHBondContact CE-O 3.23Å; K20-G73 PolarHBondContact NZ-O 3.39Å; K20-E78 IonicContact NZ-OE1 3.69Å; K20-E78 IonicContact NZ-OE2 3.97Å; K20-E78 PolarHBondContact NZ-OE2 3.28Å
21	L	76.2	Confident	72.6	Confident	170 Å²	170	116.2 Å²	116.2	89%	0.89	61%	0.611	S	S	*	*	S	Bend	trans	-67.8	-27.5	-180	-69.4	169.1	0	0	0	112.4	P19	P19-L21 PolarHBondContact O-N 2.92Å
22	D	81.7	Confident	75.2	Confident	42 Å²	42	108.5 Å²	108.5	23%	0.225	59%	0.591	C	S	.	*			trans	-143.6	157.6	-178.8	-161.4	13.4	0	0	0	112	K20 R27	K20-D22 VanDerWaalsContact C-N 3.26Å; K20-D22 PolarHBondContact O-N 3.48Å; D22-R27 IonicContact OD1-NE 3.92Å; D22-R27 IonicContact OD2-NE 2.71Å; D22-R27 IonicContact OD2-NH2 3.59Å
23	T	84.3	Confident	77.6	Confident	37 Å²	37	112.1 Å²	112.1	23%	0.227	60%	0.599	C	S	.	*			trans	-142.6	144.7	169.1	66.8	0	0	0	0	108.9	A25 R26	T23-A25 PolarHBondContact O-N 2.78Å; T23-R26 PolarHBondContact O-N 3.17Å; T23-R26 WeakPolarHBondContact OG1-CG 3.27Å
24	L	85.1	Confident	80.1	Confident	85 Å²	85	112.5 Å²	112.5	45%	0.445	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.4	-33.6	-179.9	-172.2	66	0	0	0	113	R26 R27 H28	L24-R26 PolarHBondContact O-N 3.18Å; L24-R27 PolarHBondContact O-N 3.24Å; L24-H28 PolarHBondContact O-N 3.37Å; L24-H28 VanDerWaalsContact O-N 3.07Å
25	A	87.7	Confident	82.8	Confident	53 Å²	53	109.4 Å²	109.4	44%	0.438	58%	0.582	S	S	.	*	H	α-helix	trans	-56.7	-38	-179.5	0	0	0	0	0	112.6	T23 R27 H28 I29	T23-A25 PolarHBondContact O-N 2.78Å; A25-R27 PolarHBondContact O-N 2.74Å; A25-H28 PolarHBondContact O-N 3.03Å; A25-I29 HydrophobicContact CB-CD1 4.39Å; A25-I29 WeakPolarHBondContact O-CB 3.3Å; A25-I29 WeakPolarHBondContact O-CG1 3.2Å; A25-I29 PolarHBondContact O-N 2.99Å
26	R	86.2	Confident	85.1	Confident	184 Å²	184	106.6 Å²	106.6	69%	0.694	55%	0.551	S	S	*	*	H	α-helix	trans	-67.5	-18.4	177.9	-68.9	-179.3	69.8	-171.1	3.6	114	T23 L24	T23-R26 PolarHBondContact O-N 3.17Å; T23-R26 WeakPolarHBondContact OG1-CG 3.27Å; L24-R26 PolarHBondContact O-N 3.18Å
27	R	89.9	Confident	87.1	Confident	185 Å²	185	102.2 Å²	102.2	70%	0.698	54%	0.539	S	S	*	.	H	α-helix	trans	-95.5	-27.7	175.5	-55.1	-56.9	-179.2	177.6	1.5	112.3	D22 L24 A25	D22-R27 IonicContact OD1-NE 3.92Å; D22-R27 IonicContact OD2-NE 2.71Å; D22-R27 IonicContact OD2-NH2 3.59Å; L24-R27 PolarHBondContact O-N 3.24Å; A25-R27 PolarHBondContact O-N 2.74Å
28	H	92	Very high	88.8	Confident	162 Å²	162	102.7 Å²	102.7	75%	0.75	53%	0.531	S	S	*	.	H	α-helix	trans	-84.5	-41.8	-177.8	-177.4	69.4	0	0	0	112.8	L24 A25	L24-H28 PolarHBondContact O-N 3.37Å; L24-H28 VanDerWaalsContact O-N 3.07Å; A25-H28 PolarHBondContact O-N 3.03Å
29	I	94.5	Very high	89.9	Confident	91 Å²	91	99.7 Å²	99.7	47%	0.467	51%	0.514	S	S	.	.			trans	-83.5	117.8	179.6	-59.5	170.4	0	0	0	108	A25	A25-I29 HydrophobicContact CB-CD1 4.39Å; A25-I29 WeakPolarHBondContact O-CB 3.3Å; A25-I29 WeakPolarHBondContact O-CG1 3.2Å; A25-I29 PolarHBondContact O-N 2.99Å
30	G	96.2	Very high	91.2	Very high	67 Å²	67	95 Å²	95	69%	0.691	48%	0.483	S	S	*	.			trans	-63.6	-56	-179.3	0	0	0	0	0	113.5	S32	G30-S32 PolarHBondContact O-N 3.31Å
31	P	96.9	Very high	92.4	Very high	54 Å²	54	94.4 Å²	94.4	35%	0.351	49%	0.494	S	S	.	.	S	Bend	trans	-66.7	123	-177.1	-23.9	35	0	0	0	113.5	E35 Q36 M39	P31-E35 WeakPolarHBondContact CA-OE2 3.19Å; P31-E35 HydrophobicContact CB-CB 4.2Å; P31-Q36 HydrophobicContact CB-CG 3.99Å; P31-Q36 PolarHBondContact O-NE2 2.98Å; P31-M39 HydrophobicContact CB-CE 3.51Å; P31-M39 HydrophobicContact CG-CE 3.78Å
32	S	94.7	Very high	93.4	Very high	57 Å²	57	92.2 Å²	92.2	40%	0.399	49%	0.488	S	S	.	.			trans	-65	168.6	169	64	0	0	0	0	112.4	G30 Q34 E35 Q36	G30-S32 PolarHBondContact O-N 3.31Å; S32-Q34 VanDerWaalsContact C-N 3.26Å; S32-Q34 PolarHBondContact O-N 3.04Å; S32-E35 WeakPolarHBondContact CB-OE2 3.4Å; S32-E35 PolarHBondContact N-OE2 3.06Å; S32-E35 PolarHBondContact O-N 2.81Å; S32-E35 WeakPolarHBondContact OG-CG 3.21Å; S32-E35 PolarHBondContact OG-N 2.79Å; S32-E35 PolarHBondContact OG-OE2 2.98Å; S32-Q36 WeakPolarHBondContact O-CB 3.46Å; S32-Q36 VanDerWaalsContact O-CG 3.22Å; S32-Q36 WeakPolarHBondContact O-CG 3.34Å; S32-Q36 PolarHBondContact O-N 2.93Å
33	E	94	Very high	94.2	Very high	159 Å²	159	95.5 Å²	95.5	74%	0.743	51%	0.505	S	S	*	.	H	α-helix	trans	-57.6	-40	176.2	-68.1	178.6	-179.7	0	0	112.1	Q36 M37	E33-Q36 PolarHBondContact O-N 2.95Å; E33-M37 WeakPolarHBondContact O-CG 3.28Å; E33-M37 PolarHBondContact O-N 3.04Å
34	Q	96.4	Very high	94.8	Very high	110 Å²	110	96.4 Å²	96.4	51%	0.514	52%	0.522	S	S	.	.	H	α-helix	trans	-66.3	-47.1	177	-175.3	60.2	56.7	0	0	111.6	S32 Q36 M37 D38	S32-Q34 VanDerWaalsContact C-N 3.26Å; S32-Q34 PolarHBondContact O-N 3.04Å; Q34-Q36 VanDerWaalsContact C-N 3.27Å; Q34-Q36 PolarHBondContact O-N 3.18Å; Q34-M37 WeakPolarHBondContact O-CB 3.49Å; Q34-M37 PolarHBondContact O-N 2.71Å; Q34-M37 VanDerWaalsContact O-N 3.1Å; Q34-D38 PolarHBondContact NE2-OD1 2.97Å; Q34-D38 VanDerWaalsContact O-CG 3.26Å; Q34-D38 PolarHBondContact O-N 2.78Å
35	E	97.7	Very high	95.4	Very high	97 Å²	97	93 Å²	93	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-62.7	-36.3	177.1	-70.8	162.5	141.4	0	0	111.5	P31 S32 D38 M39	P31-E35 WeakPolarHBondContact CA-OE2 3.19Å; P31-E35 HydrophobicContact CB-CB 4.2Å; S32-E35 WeakPolarHBondContact CB-OE2 3.4Å; S32-E35 PolarHBondContact N-OE2 3.06Å; S32-E35 PolarHBondContact O-N 2.81Å; S32-E35 WeakPolarHBondContact OG-CG 3.21Å; S32-E35 PolarHBondContact OG-N 2.79Å; S32-E35 PolarHBondContact OG-OE2 2.98Å; E35-D38 PolarHBondContact O-N 3.38Å; E35-M39 WeakPolarHBondContact O-CB 3.29Å; E35-M39 WeakPolarHBondContact O-CE 3.2Å; E35-M39 VanDerWaalsContact O-CG 3.26Å; E35-M39 WeakPolarHBondContact O-CG 3.42Å; E35-M39 PolarHBondContact O-N 3.27Å
36	Q	97.6	Very high	95.8	Very high	49 Å²	49	96.3 Å²	96.3	23%	0.229	52%	0.52	C	S	.	.	H	α-helix	trans	-61.8	-42.9	172.9	-71.7	171.8	42	0	0	111.6	P31 S32 E33 Q34 M39 L40	P31-Q36 HydrophobicContact CB-CG 3.99Å; P31-Q36 PolarHBondContact O-NE2 2.98Å; S32-Q36 WeakPolarHBondContact O-CB 3.46Å; S32-Q36 VanDerWaalsContact O-CG 3.22Å; S32-Q36 WeakPolarHBondContact O-CG 3.34Å; S32-Q36 PolarHBondContact O-N 2.93Å; E33-Q36 PolarHBondContact O-N 2.95Å; Q34-Q36 VanDerWaalsContact C-N 3.27Å; Q34-Q36 PolarHBondContact O-N 3.18Å; Q36-M39 HydrophobicContact CG-CE 4.21Å; Q36-M39 PolarHBondContact O-N 2.94Å; Q36-L40 VanDerWaalsContact O-CB 3.31Å; Q36-L40 WeakPolarHBondContact O-CB 3.36Å; Q36-L40 WeakPolarHBondContact O-CG 3.29Å; Q36-L40 PolarHBondContact O-N 3.47Å
37	M	97.1	Very high	96.3	Very high	116 Å²	116	89.6 Å²	89.6	57%	0.571	50%	0.501	S	S	*	.	H	α-helix	trans	-63	-43.3	175.2	-71.3	174.8	62.9	0	0	112	E33 Q34 L40 A41	E33-M37 WeakPolarHBondContact O-CG 3.28Å; E33-M37 PolarHBondContact O-N 3.04Å; Q34-M37 WeakPolarHBondContact O-CB 3.49Å; Q34-M37 PolarHBondContact O-N 2.71Å; Q34-M37 VanDerWaalsContact O-N 3.1Å; M37-L40 PolarHBondContact O-N 3.39Å; M37-A41 WeakPolarHBondContact O-CB 3.37Å; M37-A41 PolarHBondContact O-N 3.05Å
38	D	97.9	Very high	96.6	Very high	84 Å²	84	85.1 Å²	85.1	45%	0.449	49%	0.491	S	S	.	.	H	α-helix	trans	-65.1	-40.9	179.2	-61.8	-19.4	0	0	0	111.6	Q34 E35 T42	Q34-D38 PolarHBondContact NE2-OD1 2.97Å; Q34-D38 VanDerWaalsContact O-CG 3.26Å; Q34-D38 PolarHBondContact O-N 2.78Å; E35-D38 PolarHBondContact O-N 3.38Å; D38-T42 PolarHBondContact O-N 3.03Å; D38-T42 PolarHBondContact O-OG1 3.2Å
39	M	98.1	Very high	96.7	Very high	91 Å²	91	83.3 Å²	83.3	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-65.9	-42.6	174	-72.3	-174.1	-61.9	0	0	112.2	P31 E35 Q36 T42 L43	P31-M39 HydrophobicContact CB-CE 3.51Å; P31-M39 HydrophobicContact CG-CE 3.78Å; E35-M39 WeakPolarHBondContact O-CB 3.29Å; E35-M39 WeakPolarHBondContact O-CE 3.2Å; E35-M39 VanDerWaalsContact O-CG 3.26Å; E35-M39 WeakPolarHBondContact O-CG 3.42Å; E35-M39 PolarHBondContact O-N 3.27Å; Q36-M39 HydrophobicContact CG-CE 4.21Å; Q36-M39 PolarHBondContact O-N 2.94Å; M39-T42 WeakPolarHBondContact O-CB 3.21Å; M39-T42 PolarHBondContact O-N 3.47Å; M39-L43 WeakPolarHBondContact O-CG 3.36Å; M39-L43 PolarHBondContact O-N 2.94Å
40	L	98.3	Very high	96.8	Very high	15 Å²	15	81.2 Å²	81.2	8%	0.079	47%	0.471	C	S	.	.	H	α-helix	trans	-61.5	-43.5	176.7	-78.8	171.1	0	0	0	111.5	Q36 M37 T42 L43 G44 C45 S47 L48 L51	Q36-L40 VanDerWaalsContact O-CB 3.31Å; Q36-L40 WeakPolarHBondContact O-CB 3.36Å; Q36-L40 WeakPolarHBondContact O-CG 3.29Å; Q36-L40 PolarHBondContact O-N 3.47Å; M37-L40 PolarHBondContact O-N 3.39Å; L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.05Å; L40-L43 CarbonylContact O-C 3.32Å; L40-L43 PolarHBondContact O-N 3.38Å; L40-L43 VanDerWaalsContact O-N 3.13Å; L40-G44 PolarHBondContact O-N 3.17Å; L40-G44 VanDerWaalsContact O-N 3.08Å; L40-C45 CarbonylContact C-O 3.49Å; L40-C45 VanDerWaalsContact C-O 3.32Å; L40-C45 WeakPolarHBondContact CB-O 3.38Å; L40-C45 HydrophobicContact CD2-CB 3.77Å; L40-C45 PolarHBondContact O-N 2.75Å; L40-C45 VanDerWaalsContact O-O 3.08Å; L40-S47 WeakPolarHBondContact CD2-O 3.49Å; L40-L48 HydrophobicContact CD1-CD2 4.36Å; L40-L48 HydrophobicContact CD1-CG 4.34Å; L40-L48 HydrophobicContact CD2-CD2 4.32Å; L40-L51 HydrophobicContact CD2-CB 4.07Å; L40-L51 HydrophobicContact CD2-CD2 4.2Å
41	A	97.6	Very high	96.8	Very high	75 Å²	75	80.9 Å²	80.9	62%	0.62	45%	0.453	S	S	*	.	H	α-helix	trans	-60.1	-42.5	175	0	0	0	0	0	111.6	M37 L43 G44	M37-A41 WeakPolarHBondContact O-CB 3.37Å; M37-A41 PolarHBondContact O-N 3.05Å; A41-L43 VanDerWaalsContact C-N 3.26Å; A41-L43 PolarHBondContact O-N 3.02Å; A41-G44 PolarHBondContact O-N 3.27Å; A41-G44 VanDerWaalsContact O-N 3.11Å
42	T	98.1	Very high	96.8	Very high	124 Å²	124	81 Å²	81	76%	0.761	45%	0.453	S	S	*	.	H	α-helix	trans	-60.2	-36.4	175.6	-57	0	0	0	0	112.2	D38 M39 L40 G44	D38-T42 PolarHBondContact O-N 3.03Å; D38-T42 PolarHBondContact O-OG1 3.2Å; M39-T42 WeakPolarHBondContact O-CB 3.21Å; M39-T42 PolarHBondContact O-N 3.47Å; L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.05Å; T42-G44 VanDerWaalsContact C-N 3.33Å
43	L	97.6	Very high	96.8	Very high	110 Å²	110	81.6 Å²	81.6	58%	0.576	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.1	178.5	-66.1	172.4	0	0	0	113.9	M39 L40 A41 C45 L51	M39-L43 WeakPolarHBondContact O-CG 3.36Å; M39-L43 PolarHBondContact O-N 2.94Å; L40-L43 CarbonylContact O-C 3.32Å; L40-L43 PolarHBondContact O-N 3.38Å; L40-L43 VanDerWaalsContact O-N 3.13Å; A41-L43 VanDerWaalsContact C-N 3.26Å; A41-L43 PolarHBondContact O-N 3.02Å; L43-C45 VanDerWaalsContact C-N 3.25Å; L43-C45 PolarHBondContact O-N 3.11Å; L43-L51 HydrophobicContact CD1-CD1 4.08Å; L43-L51 HydrophobicContact CD1-CD2 4.29Å
44	G	97.2	Very high	96.9	Very high	57 Å²	57	80.2 Å²	80.2	59%	0.588	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	31.7	-174.8	0	0	0	0	0	113.2	L40 A41 T42	L40-G44 PolarHBondContact O-N 3.17Å; L40-G44 VanDerWaalsContact O-N 3.08Å; A41-G44 PolarHBondContact O-N 3.27Å; A41-G44 VanDerWaalsContact O-N 3.11Å; T42-G44 VanDerWaalsContact C-N 3.33Å
45	C	97.1	Very high	96.8	Very high	12 Å²	12	78.4 Å²	78.4	8%	0.081	45%	0.452	C	S	.	.			trans	-111.9	145.4	174.7	-65.7	0	0	0	0	109.9	L40 L43 L51	L40-C45 CarbonylContact C-O 3.49Å; L40-C45 VanDerWaalsContact C-O 3.32Å; L40-C45 WeakPolarHBondContact CB-O 3.38Å; L40-C45 HydrophobicContact CD2-CB 3.77Å; L40-C45 PolarHBondContact O-N 2.75Å; L40-C45 VanDerWaalsContact O-O 3.08Å; L43-C45 VanDerWaalsContact C-N 3.25Å; L43-C45 PolarHBondContact O-N 3.11Å; C45-L51 HydrophobicContact CB-CB 4.42Å
46	T	95.8	Very high	96.7	Very high	124 Å²	124	76.6 Å²	76.6	76%	0.761	45%	0.447	S	S	*	.	S	Bend	trans	-93.6	-17	-179	61.1	0	0	0	0	113.2	E50	T46-E50 WeakPolarHBondContact CB-OE2 2.98Å; T46-E50 PolarHBondContact N-OE2 3.39Å; T46-E50 PolarHBondContact OG1-OE2 3.18Å
47	S	97.1	Very high	96.6	Very high	43 Å²	43	77.8 Å²	77.8	30%	0.301	46%	0.459	S	S	.	.	S	Bend	trans	-156.5	159.9	-178.3	63.8	0	0	0	0	111.6	L40 E49 E50 L51	L40-S47 WeakPolarHBondContact CD2-O 3.49Å; S47-E49 PolarHBondContact O-N 3.38Å; S47-E50 PolarHBondContact O-N 3.17Å; S47-E50 PolarHBondContact OG-N 2.97Å; S47-E50 VanDerWaalsContact OG-N 3.09Å; S47-L51 PolarHBondContact O-N 2.98Å
48	L	95.9	Very high	96.5	Very high	90 Å²	90	76.4 Å²	76.4	47%	0.471	47%	0.467	S	S	.	.	H	α-helix	trans	-59.8	-30.2	169.7	-69.7	178.4	0	0	0	112.3	L40 L51 T52	L40-L48 HydrophobicContact CD1-CD2 4.36Å; L40-L48 HydrophobicContact CD1-CG 4.34Å; L40-L48 HydrophobicContact CD2-CD2 4.32Å; L48-L51 HydrophobicContact CD2-CD2 4.49Å; L48-L51 PolarHBondContact O-N 3.37Å; L48-T52 VanDerWaalsContact O-CB 3.31Å; L48-T52 WeakPolarHBondContact O-CB 3.35Å; L48-T52 PolarHBondContact O-N 3.45Å; L48-T52 PolarHBondContact O-OG1 3.42Å
49	E	94.7	Very high	96.5	Very high	124 Å²	124	77.9 Å²	77.9	58%	0.579	48%	0.483	S	S	*	.	H	α-helix	trans	-69.2	-40.4	177.5	178.4	144.6	-139.1	0	0	112.1	S47 T52 S53 R61	S47-E49 PolarHBondContact O-N 3.38Å; E49-T52 PolarHBondContact O-N 2.94Å; E49-S53 WeakPolarHBondContact O-CB 3.27Å; E49-S53 PolarHBondContact O-N 3.02Å; E49-S53 PolarHBondContact O-OG 3.38Å; E49-R61 IonicContact OE1-CZ 3.18Å; E49-R61 IonicContact OE1-NH2 3.56Å; E49-R61 PolarHBondContact OE1-NH2 3.36Å
50	E	96.7	Very high	96.4	Very high	48 Å²	48	79.8 Å²	79.8	22%	0.224	49%	0.494	C	S	.	.	H	α-helix	trans	-64.7	-43.9	172.6	-171.2	-169.1	161.1	0	0	111.6	T46 S47 T52 S53 K54	T46-E50 WeakPolarHBondContact CB-OE2 2.98Å; T46-E50 PolarHBondContact N-OE2 3.39Å; T46-E50 PolarHBondContact OG1-OE2 3.18Å; S47-E50 PolarHBondContact O-N 3.17Å; S47-E50 PolarHBondContact OG-N 2.97Å; S47-E50 VanDerWaalsContact OG-N 3.09Å; E50-T52 VanDerWaalsContact C-N 3.28Å; E50-T52 PolarHBondContact O-N 3.3Å; E50-S53 PolarHBondContact O-N 3.48Å; E50-S53 PolarHBondContact O-OG 2.81Å; E50-K54 HydrophobicContact CG-CD 4.39Å; E50-K54 WeakPolarHBondContact O-CG 3.45Å; E50-K54 PolarHBondContact O-N 2.91Å; E50-K54 VanDerWaalsContact O-N 3.08Å; E50-K54 VanDerWaalsContact OE1-CE 3.29Å; E50-K54 WeakPolarHBondContact OE1-CE 3.28Å; E50-K54 IonicContact OE1-NZ 3.76Å; E50-K54 PolarHBondContact OE1-NZ 2.91Å
51	L	97	Very high	96.1	Very high	60 Å²	60	83.4 Å²	83.4	31%	0.314	51%	0.507	S	S	.	.	H	α-helix	trans	-57.8	-45.2	174	176.6	61.4	0	0	0	110.7	L40 L43 C45 S47 L48 K54 A55	L40-L51 HydrophobicContact CD2-CB 4.07Å; L40-L51 HydrophobicContact CD2-CD2 4.2Å; L43-L51 HydrophobicContact CD1-CD1 4.08Å; L43-L51 HydrophobicContact CD1-CD2 4.29Å; C45-L51 HydrophobicContact CB-CB 4.42Å; S47-L51 PolarHBondContact O-N 2.98Å; L48-L51 HydrophobicContact CD2-CD2 4.49Å; L48-L51 PolarHBondContact O-N 3.37Å; L51-K54 PolarHBondContact O-N 3.1Å; L51-A55 WeakPolarHBondContact O-CB 3.19Å; L51-A55 PolarHBondContact O-N 2.75Å; L51-A55 VanDerWaalsContact O-N 3.07Å
52	T	95.5	Very high	95.8	Very high	57 Å²	57	83.7 Å²	83.7	35%	0.35	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-41.5	-179.9	-58.1	0	0	0	0	112	L48 E49 E50 K54 A55 V56	L48-T52 VanDerWaalsContact O-CB 3.31Å; L48-T52 WeakPolarHBondContact O-CB 3.35Å; L48-T52 PolarHBondContact O-N 3.45Å; L48-T52 PolarHBondContact O-OG1 3.42Å; E49-T52 PolarHBondContact O-N 2.94Å; E50-T52 VanDerWaalsContact C-N 3.28Å; E50-T52 PolarHBondContact O-N 3.3Å; T52-K54 VanDerWaalsContact C-N 3.33Å; T52-K54 PolarHBondContact O-N 3.46Å; T52-A55 PolarHBondContact O-N 2.94Å; T52-V56 HydrophobicContact CG2-CG2 4.28Å; T52-V56 PolarHBondContact O-N 2.89Å
53	S	95	Very high	95.2	Very high	68 Å²	68	85.5 Å²	85.5	48%	0.476	51%	0.509	S	S	.	.	H	α-helix	trans	-69.8	-29.7	-179.6	69	0	0	0	0	113.2	E49 E50	E49-S53 WeakPolarHBondContact O-CB 3.27Å; E49-S53 PolarHBondContact O-N 3.02Å; E49-S53 PolarHBondContact O-OG 3.38Å; E50-S53 PolarHBondContact O-N 3.48Å; E50-S53 PolarHBondContact O-OG 2.81Å
54	K	95.7	Very high	94.9	Very high	131 Å²	131	88.7 Å²	88.7	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-73.3	-34.9	171.4	-72.7	174.6	175	170.1	0	112.6	E50 L51 T52	E50-K54 HydrophobicContact CG-CD 4.39Å; E50-K54 WeakPolarHBondContact O-CG 3.45Å; E50-K54 PolarHBondContact O-N 2.91Å; E50-K54 VanDerWaalsContact O-N 3.08Å; E50-K54 VanDerWaalsContact OE1-CE 3.29Å; E50-K54 WeakPolarHBondContact OE1-CE 3.28Å; E50-K54 IonicContact OE1-NZ 3.76Å; E50-K54 PolarHBondContact OE1-NZ 2.91Å; L51-K54 PolarHBondContact O-N 3.1Å; T52-K54 VanDerWaalsContact C-N 3.33Å; T52-K54 PolarHBondContact O-N 3.46Å
55	A	95.7	Very high	94.4	Very high	72 Å²	72	94.5 Å²	94.5	60%	0.595	53%	0.532	S	S	*	.	H	α-helix	trans	-87.6	-37.8	-174.5	0	0	0	0	0	114.2	L51 T52	L51-A55 WeakPolarHBondContact O-CB 3.19Å; L51-A55 PolarHBondContact O-N 2.75Å; L51-A55 VanDerWaalsContact O-N 3.07Å; T52-A55 PolarHBondContact O-N 2.94Å
56	V	95.7	Very high	94.1	Very high	58 Å²	58	100.9 Å²	100.9	35%	0.352	57%	0.565	S	S	.	*	S	Bend	trans	-108.2	119.5	-173.8	-176.4	0	0	0	0	110	T52 A58 I60	T52-V56 HydrophobicContact CG2-CG2 4.28Å; T52-V56 PolarHBondContact O-N 2.89Å; V56-A58 PolarHBondContact O-N 2.93Å; V56-I60 HydrophobicContact CG1-CG1 4.34Å
57	P	95.5	Very high	93.8	Very high	74 Å²	74	102.8 Å²	102.8	48%	0.481	57%	0.57	S	S	.	*			trans	-55.9	131.4	179.1	-25.4	33.4	0	0	0	112.6	S59 I60 R61	P57-S59 PolarHBondContact O-N 2.83Å; P57-S59 VanDerWaalsContact O-N 3.12Å; P57-I60 HydrophobicContact CB-CG1 4.31Å; P57-I60 VanDerWaalsContact O-CG1 3.3Å; P57-I60 WeakPolarHBondContact O-CG1 3.47Å; P57-I60 PolarHBondContact O-N 2.9Å; P57-I60 VanDerWaalsContact O-N 3.14Å; P57-R61 PolarHBondContact O-N 3.2Å
58	A	94.8	Very high	93.2	Very high	88 Å²	88	106 Å²	106	73%	0.727	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-57.6	-30.8	-178	0	0	0	0	0	113.1	V56 I60 R61	V56-A58 PolarHBondContact O-N 2.93Å; A58-I60 PolarHBondContact O-N 3.45Å; A58-I60 VanDerWaalsContact O-N 3.17Å; A58-R61 PolarHBondContact O-N 3.05Å
59	S	96.3	Very high	92.3	Very high	114 Å²	114	107.8 Å²	107.8	80%	0.797	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-64	-18.4	-179.3	54.8	0	0	0	0	114.8	P57	P57-S59 PolarHBondContact O-N 2.83Å; P57-S59 VanDerWaalsContact O-N 3.12Å
60	I	96.1	Very high	91	Very high	131 Å²	131	104.2 Å²	104.2	67%	0.672	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-117.3	-1.2	178.6	63.9	169.2	0	0	0	113.1	V56 P57 A58	V56-I60 HydrophobicContact CG1-CG1 4.34Å; P57-I60 HydrophobicContact CB-CG1 4.31Å; P57-I60 VanDerWaalsContact O-CG1 3.3Å; P57-I60 WeakPolarHBondContact O-CG1 3.47Å; P57-I60 PolarHBondContact O-N 2.9Å; P57-I60 VanDerWaalsContact O-N 3.14Å; A58-I60 PolarHBondContact O-N 3.45Å; A58-I60 VanDerWaalsContact O-N 3.17Å
61	R	92.7	Very high	89.1	Confident	91 Å²	91	106 Å²	106	34%	0.343	62%	0.615	S	S	.	*			trans	-75.9	136.9	178.8	-172.2	172.7	171.3	-176	-10.3	109.4	E49 P57 A58	E49-R61 IonicContact OE1-CZ 3.18Å; E49-R61 IonicContact OE1-NH2 3.56Å; E49-R61 PolarHBondContact OE1-NH2 3.36Å; P57-R61 PolarHBondContact O-N 3.2Å; A58-R61 PolarHBondContact O-N 3.05Å
62	S	90.7	Very high	87.4	Confident	81 Å²	81	111.4 Å²	111.4	57%	0.566	64%	0.643	S	S	*	*			trans	-85.3	125.2	172.4	175.8	0	0	0	0	110.1	K64	S62-K64 PolarHBondContact OG-N 2.95Å; S62-K64 VanDerWaalsContact OG-N 3.14Å; S62-K64 PolarHBondContact OG-O 2.8Å; S62-K64 VanDerWaalsContact OG-O 3.1Å
63	D	86.8	Confident	86	Confident	162 Å²	162	109.9 Å²	109.9	87%	0.866	64%	0.639	S	S	*	*			trans	-79.8	-10.1	169.4	-59.5	-33.7	0	0	0	112.4
64	K	90.7	Very high	85.1	Confident	177 Å²	177	110 Å²	110	77%	0.77	63%	0.632	S	S	*	*	S	Bend	trans	-87.7	125.9	179.3	-61.4	-178.6	-176.8	176.3	0	109.7	S62	S62-K64 PolarHBondContact OG-N 2.95Å; S62-K64 VanDerWaalsContact OG-N 3.14Å; S62-K64 PolarHBondContact OG-O 2.8Å; S62-K64 VanDerWaalsContact OG-O 3.1Å
65	M	87.5	Confident	84.6	Confident	180 Å²	180	105.3 Å²	105.3	89%	0.887	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-57.4	140.4	163.9	-74	-68.2	178.2	0	0	109.8	N67	M65-N67 PolarHBondContact O-N 3.29Å
66	L	90.5	Very high	84.3	Confident	145 Å²	145	107.1 Å²	107.1	76%	0.759	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-62.5	123.4	176.6	-65.5	175.1	0	0	0	109.6	L68	L66-L68 HydrophobicContact CB-CD1 4.2Å; L66-L68 HydrophobicContact CB-CG 3.96Å; L66-L68 HydrophobicContact CD1-CD1 4.42Å; L66-L68 PolarHBondContact O-N 2.77Å; L66-L68 VanDerWaalsContact O-N 3.09Å
67	N	88.3	Confident	84	Confident	164 Å²	164	113.6 Å²	113.6	88%	0.877	63%	0.627	S	S	*	*			trans	-83.2	80.9	175.5	-175.2	26.6	0	0	0	110	M65	M65-N67 PolarHBondContact O-N 3.29Å
68	L	86.3	Confident	83.6	Confident	112 Å²	112	112.6 Å²	112.6	59%	0.586	62%	0.617	S	S	*	*			trans	-99.6	142.2	-179.8	-60.6	175.8	0	0	0	111.2	L66	L66-L68 HydrophobicContact CB-CD1 4.2Å; L66-L68 HydrophobicContact CB-CG 3.96Å; L66-L68 HydrophobicContact CD1-CD1 4.42Å; L66-L68 PolarHBondContact O-N 2.77Å; L66-L68 VanDerWaalsContact O-N 3.09Å
69	P	75.8	Confident	83.3	Confident	127 Å²	127	110.4 Å²	110.4	83%	0.825	59%	0.594	S	S	*	*	S	Bend	trans	-69.5	134	174.5	28	-32.9	0	0	0	111.2
70	G	66.9	Low	83.1	Confident	49 Å²	49	109.2 Å²	109.2	51%	0.505	58%	0.578	S	S	.	*	S	Bend	trans	96.5	146.8	-177.3	0	0	0	0	0	112.1	L72	G70-L72 PolarHBondContact O-N 2.75Å
71	S	58.2	Low	82.9	Confident	86 Å²	86	109.7 Å²	109.7	60%	0.601	57%	0.572	S	S	*	*			trans	-61	138.9	170.3	47.9	0	0	0	0	109.2	G73	S71-G73 PolarHBondContact O-N 3.4Å
72	L	59.9	Low	82.9	Confident	172 Å²	172	108.6 Å²	108.6	90%	0.901	57%	0.573	S	S	*	*	S	Bend	trans	-44.1	110.7	169.5	-72.3	156.7	0	0	0	108.7	G70	G70-L72 PolarHBondContact O-N 2.75Å
73	G	67	Low	83	Confident	26 Å²	26	109.7 Å²	109.7	27%	0.268	57%	0.571	S	S	.	*			trans	96.9	63.7	176.8	0	0	0	0	0	115.6	K20 S71	K20-G73 WeakPolarHBondContact CD-O 3.18Å; K20-G73 WeakPolarHBondContact CE-O 3.23Å; K20-G73 PolarHBondContact NZ-O 3.39Å; S71-G73 PolarHBondContact O-N 3.4Å
74	Q	77.1	Confident	83.5	Confident	70 Å²	70	108 Å²	108	33%	0.327	56%	0.558	S	S	.	*			trans	-60.8	137.3	152.5	-68.7	-172.6	-11.6	0	0	109.1	E78 V79 N82	Q74-E78 WeakPolarHBondContact CA-OE2 3.44Å; Q74-E78 HydrophobicContact CB-CB 4.19Å; Q74-V79 HydrophobicContact CB-CG2 3.71Å; Q74-N82 PolarHBondContact NE2-ND2 2.81Å; Q74-N82 PolarHBondContact OE1-ND2 3.48Å; Q74-N82 VanDerWaalsContact OE1-ND2 3.11Å
75	D	84.8	Confident	83.8	Confident	32 Å²	32	107 Å²	107	17%	0.171	55%	0.554	C	S	.	*			trans	-76	163.9	170.2	71.6	52.4	0	0	0	110.5	R77 E78 V79	D75-R77 PolarHBondContact O-N 2.85Å; D75-R77 WeakPolarHBondContact OD1-CA 3.35Å; D75-R77 VanDerWaalsContact OD1-CB 3.28Å; D75-R77 WeakPolarHBondContact OD1-CB 3.49Å; D75-R77 PolarHBondContact OD1-N 3.47Å; D75-E78 PolarHBondContact N-OE2 3.2Å; D75-E78 WeakPolarHBondContact O-CB 3.46Å; D75-E78 PolarHBondContact O-N 3.44Å; D75-E78 VanDerWaalsContact O-N 3.14Å; D75-E78 PolarHBondContact OD1-N 3.47Å; D75-V79 WeakPolarHBondContact O-CG2 3.32Å; D75-V79 PolarHBondContact O-N 3.18Å
76	E	88.1	Confident	84.2	Confident	111 Å²	111	104 Å²	104	52%	0.519	54%	0.54	S	S	.	.	H	α-helix	trans	-55.9	-36.3	-177.7	-173.2	-179.1	174.7	0	0	112.4	V79 L80	E76-V79 PolarHBondContact O-N 3.05Å; E76-L80 HydrophobicContact CG-CD1 4.39Å; E76-L80 VanDerWaalsContact O-CG 3.31Å; E76-L80 WeakPolarHBondContact O-CG 3.38Å; E76-L80 PolarHBondContact O-N 3.11Å
77	R	89.5	Confident	84.6	Confident	193 Å²	193	99.5 Å²	99.5	73%	0.728	52%	0.524	S	S	*	.	H	α-helix	trans	-73.8	-35.9	-179.2	-57.6	178.5	178.4	-179.5	-0.7	111.8	D75 R81	D75-R77 PolarHBondContact O-N 2.85Å; D75-R77 WeakPolarHBondContact OD1-CA 3.35Å; D75-R77 VanDerWaalsContact OD1-CB 3.28Å; D75-R77 WeakPolarHBondContact OD1-CB 3.49Å; D75-R77 PolarHBondContact OD1-N 3.47Å; R77-R81 WeakPolarHBondContact O-CB 3.45Å; R77-R81 WeakPolarHBondContact O-CG 3.48Å; R77-R81 PolarHBondContact O-N 3.17Å; R77-R81 VanDerWaalsContact O-N 3.13Å; R77-R81 PolarHBondContact O-NE 3.12Å
78	E	88	Confident	85	Confident	54 Å²	54	96 Å²	96	25%	0.252	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-46.1	172.1	-72.1	178.7	154.3	0	0	110.6	K20 Q74 D75 L80 R81 N82	K20-E78 IonicContact NZ-OE1 3.69Å; K20-E78 IonicContact NZ-OE2 3.97Å; K20-E78 PolarHBondContact NZ-OE2 3.28Å; Q74-E78 WeakPolarHBondContact CA-OE2 3.44Å; Q74-E78 HydrophobicContact CB-CB 4.19Å; D75-E78 PolarHBondContact N-OE2 3.2Å; D75-E78 WeakPolarHBondContact O-CB 3.46Å; D75-E78 PolarHBondContact O-N 3.44Å; D75-E78 VanDerWaalsContact O-N 3.14Å; D75-E78 PolarHBondContact OD1-N 3.47Å; E78-L80 PolarHBondContact O-N 2.93Å; E78-R81 PolarHBondContact O-N 2.9Å; E78-N82 WeakPolarHBondContact O-CB 3.28Å; E78-N82 PolarHBondContact O-N 3.16Å; E78-N82 PolarHBondContact O-ND2 3.27Å
79	V	88.6	Confident	85.6	Confident	42 Å²	42	97.7 Å²	97.7	26%	0.255	52%	0.519	S	S	.	.	H	α-helix	trans	-58.3	-49.8	177	173.5	0	0	0	0	110.8	Q74 D75 E76 R81 N82 I83	Q74-V79 HydrophobicContact CB-CG2 3.71Å; D75-V79 WeakPolarHBondContact O-CG2 3.32Å; D75-V79 PolarHBondContact O-N 3.18Å; E76-V79 PolarHBondContact O-N 3.05Å; V79-R81 PolarHBondContact O-N 3.21Å; V79-N82 PolarHBondContact O-N 3.37Å; V79-I83 HydrophobicContact CG1-CD1 3.7Å; V79-I83 HydrophobicContact CG1-CG1 4.4Å; V79-I83 WeakPolarHBondContact O-CG1 3.28Å; V79-I83 PolarHBondContact O-N 3.37Å
80	L	91.9	Very high	86.7	Confident	89 Å²	89	97.5 Å²	97.5	47%	0.466	51%	0.511	S	S	.	.	H	α-helix	trans	-59.9	-44.4	178.9	-72.2	172.9	0	0	0	112.4	E76 E78 N82 I83 Q84	E76-L80 HydrophobicContact CG-CD1 4.39Å; E76-L80 VanDerWaalsContact O-CG 3.31Å; E76-L80 WeakPolarHBondContact O-CG 3.38Å; E76-L80 PolarHBondContact O-N 3.11Å; E78-L80 PolarHBondContact O-N 2.93Å; L80-N82 PolarHBondContact O-N 3.41Å; L80-I83 PolarHBondContact O-N 2.89Å; L80-Q84 WeakPolarHBondContact O-CB 3.46Å; L80-Q84 VanDerWaalsContact O-CG 3.22Å; L80-Q84 WeakPolarHBondContact O-CG 3.36Å; L80-Q84 PolarHBondContact O-N 3.29Å
81	R	92.5	Very high	88.2	Confident	141 Å²	141	103.5 Å²	103.5	53%	0.532	52%	0.523	S	S	.	.	H	α-helix	trans	-62.2	-42.2	176.7	-78.9	178.3	-78.4	157.5	-5.4	112.2	R77 E78 V79 Q84 K85	R77-R81 WeakPolarHBondContact O-CB 3.45Å; R77-R81 WeakPolarHBondContact O-CG 3.48Å; R77-R81 PolarHBondContact O-N 3.17Å; R77-R81 VanDerWaalsContact O-N 3.13Å; R77-R81 PolarHBondContact O-NE 3.12Å; E78-R81 PolarHBondContact O-N 2.9Å; V79-R81 PolarHBondContact O-N 3.21Å; R81-Q84 PolarHBondContact O-N 2.86Å; R81-K85 PolarHBondContact O-N 3.28Å
82	N	91.2	Very high	90	Very high	68 Å²	68	107.5 Å²	107.5	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-65.8	-45.6	179.5	-70.9	-24.9	0	0	0	111.6	Q74 E78 V79 L80 Q84 K85 I86	Q74-N82 PolarHBondContact NE2-ND2 2.81Å; Q74-N82 PolarHBondContact OE1-ND2 3.48Å; Q74-N82 VanDerWaalsContact OE1-ND2 3.11Å; E78-N82 WeakPolarHBondContact O-CB 3.28Å; E78-N82 PolarHBondContact O-N 3.16Å; E78-N82 PolarHBondContact O-ND2 3.27Å; V79-N82 PolarHBondContact O-N 3.37Å; L80-N82 PolarHBondContact O-N 3.41Å; N82-Q84 PolarHBondContact O-N 3.05Å; N82-K85 WeakPolarHBondContact O-CB 3.42Å; N82-K85 PolarHBondContact O-N 2.91Å; N82-I86 WeakPolarHBondContact O-CG1 3.5Å; N82-I86 PolarHBondContact O-N 3.02Å; N82-I86 VanDerWaalsContact O-N 3.14Å
83	I	93.7	Very high	91.9	Very high	103 Å²	103	108.8 Å²	108.8	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-63.8	-41.5	176.8	-67.5	173.3	0	0	0	110.6	V79 L80 K85 I86 A87	V79-I83 HydrophobicContact CG1-CD1 3.7Å; V79-I83 HydrophobicContact CG1-CG1 4.4Å; V79-I83 WeakPolarHBondContact O-CG1 3.28Å; V79-I83 PolarHBondContact O-N 3.37Å; L80-I83 PolarHBondContact O-N 2.89Å; I83-K85 VanDerWaalsContact C-N 3.34Å; I83-K85 PolarHBondContact O-N 2.86Å; I83-I86 PolarHBondContact O-N 3.41Å; I83-A87 WeakPolarHBondContact O-CB 3.28Å; I83-A87 PolarHBondContact O-N 3Å
84	Q	96.6	Very high	93.3	Very high	127 Å²	127	115.6 Å²	115.6	59%	0.593	55%	0.551	S	S	*	*	H	α-helix	trans	-60.8	-41.2	175.8	-77.1	173.4	0.4	0	0	112.5	L80 R81 N82 I86 A87 S88	L80-Q84 WeakPolarHBondContact O-CB 3.46Å; L80-Q84 VanDerWaalsContact O-CG 3.22Å; L80-Q84 WeakPolarHBondContact O-CG 3.36Å; L80-Q84 PolarHBondContact O-N 3.29Å; R81-Q84 PolarHBondContact O-N 2.86Å; N82-Q84 PolarHBondContact O-N 3.05Å; Q84-I86 VanDerWaalsContact C-N 3.34Å; Q84-I86 PolarHBondContact O-N 2.98Å; Q84-A87 PolarHBondContact O-N 3.39Å; Q84-S88 WeakPolarHBondContact O-CB 3.36Å; Q84-S88 PolarHBondContact O-N 3.4Å
85	K	96.9	Very high	94.3	Very high	157 Å²	157	114.9 Å²	114.9	68%	0.683	55%	0.554	S	S	*	*	H	α-helix	trans	-59.7	-45.4	175.4	-177.7	-178.7	177.7	-176.7	0	111.2	R81 N82 I83 S88	R81-K85 PolarHBondContact O-N 3.28Å; N82-K85 WeakPolarHBondContact O-CB 3.42Å; N82-K85 PolarHBondContact O-N 2.91Å; I83-K85 VanDerWaalsContact C-N 3.34Å; I83-K85 PolarHBondContact O-N 2.86Å; K85-S88 PolarHBondContact O-N 3Å; K85-S88 PolarHBondContact O-OG 3.44Å
86	I	96.9	Very high	95	Very high	115 Å²	115	122.9 Å²	122.9	59%	0.59	58%	0.583	S	S	*	*	H	α-helix	trans	-65.2	-47.3	177	-63.2	167.4	0	0	0	110.2	N82 I83 Q84 S88 M89	N82-I86 WeakPolarHBondContact O-CG1 3.5Å; N82-I86 PolarHBondContact O-N 3.02Å; N82-I86 VanDerWaalsContact O-N 3.14Å; I83-I86 PolarHBondContact O-N 3.41Å; Q84-I86 VanDerWaalsContact C-N 3.34Å; Q84-I86 PolarHBondContact O-N 2.98Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.25Å; I86-M89 VanDerWaalsContact O-CB 3.27Å; I86-M89 WeakPolarHBondContact O-CB 3.43Å; I86-M89 PolarHBondContact O-N 3.2Å
87	A	97.7	Very high	95.4	Very high	52 Å²	52	123.6 Å²	123.6	43%	0.43	59%	0.589	S	S	.	*	H	α-helix	trans	-59.6	-35.5	-179.9	0	0	0	0	0	112.7	I83 Q84 M89 N90	I83-A87 WeakPolarHBondContact O-CB 3.28Å; I83-A87 PolarHBondContact O-N 3Å; Q84-A87 PolarHBondContact O-N 3.39Å; A87-M89 PolarHBondContact O-N 3.4Å; A87-N90 WeakPolarHBondContact O-CB 3.27Å; A87-N90 PolarHBondContact O-N 3.44Å; A87-N90 VanDerWaalsContact O-N 3.09Å
88	S	98	Very high	95.9	Very high	91 Å²	91	115.1 Å²	115.1	64%	0.636	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-13	176.7	71.2	0	0	0	0	114.6	Q84 K85 I86 N90	Q84-S88 WeakPolarHBondContact O-CB 3.36Å; Q84-S88 PolarHBondContact O-N 3.4Å; K85-S88 PolarHBondContact O-N 3Å; K85-S88 PolarHBondContact O-OG 3.44Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.25Å; S88-N90 VanDerWaalsContact C-N 3.27Å
89	M	98.4	Very high	96.3	Very high	147 Å²	147	115.9 Å²	115.9	72%	0.724	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-17.9	173.9	-59	173.9	59.5	0	0	112	I86 A87	I86-M89 VanDerWaalsContact O-CB 3.27Å; I86-M89 WeakPolarHBondContact O-CB 3.43Å; I86-M89 PolarHBondContact O-N 3.2Å; A87-M89 PolarHBondContact O-N 3.4Å
90	N	98.3	Very high	96.8	Very high	123 Å²	123	114.1 Å²	114.1	66%	0.658	56%	0.557	S	S	*	*	S	Bend	trans	-72.5	143.8	176.2	-66.6	-22.3	0	0	0	110.7	A87 S88	A87-N90 WeakPolarHBondContact O-CB 3.27Å; A87-N90 PolarHBondContact O-N 3.44Å; A87-N90 VanDerWaalsContact O-N 3.09Å; S88-N90 VanDerWaalsContact C-N 3.27Å
91	K	98.2	Very high	97.1	Very high	175 Å²	175	113.7 Å²	113.7	76%	0.761	55%	0.551	S	S	*	*			trans	-105.6	115.3	174.1	-63.3	-178.2	-179.3	177.7	0	109.3	W93	K91-W93 PolarHBondContact O-N 2.84Å
92	I	97.3	Very high	97.4	Very high	169 Å²	169	110.1 Å²	110.1	87%	0.867	54%	0.538	S	S	*	.			trans	-87.9	103.8	178.4	-55.6	174.5	0	0	0	108.2
93	W	98.2	Very high	97.7	Very high	200 Å²	200	112.4 Å²	112.4	76%	0.758	55%	0.55	S	S	*	*			trans	-101.8	160.5	177.5	-74.7	33.3	0	0	0	110	K91 S95	K91-W93 PolarHBondContact O-N 2.84Å; W93-S95 PolarHBondContact O-N 3.27Å; W93-S95 VanDerWaalsContact O-N 3.12Å
94	K	98	Very high	97.9	Very high	169 Å²	169	109 Å²	109	74%	0.735	54%	0.536	S	S	*	.			trans	-76.6	95.1	165.8	-65.3	-176.1	-179.1	-178	0	108.3	Y96	K94-Y96 HydrophobicContact CB-CE2 4.21Å; K94-Y96 PolarHBondContact O-N 3.45Å
95	S	97.9	Very high	98	Very high	55 Å²	55	110.2 Å²	110.2	39%	0.385	54%	0.544	S	S	.	.			trans	-87.9	107.2	-176.6	-68.8	0	0	0	0	111.3	W93 I97	W93-S95 PolarHBondContact O-N 3.27Å; W93-S95 VanDerWaalsContact O-N 3.12Å; S95-I97 VanDerWaalsContact C-N 3.34Å
96	Y	98.1	Very high	98	Very high	199 Å²	199	104.2 Å²	104.2	78%	0.78	52%	0.52	S	S	*	.			trans	-101	33.6	172.2	-51.9	-53.1	0	0	0	112	K94 G98	K94-Y96 HydrophobicContact CB-CE2 4.21Å; K94-Y96 PolarHBondContact O-N 3.45Å; Y96-G98 VanDerWaalsContact C-N 3.34Å
97	I	98.3	Very high	98.1	Very high	126 Å²	126	101.2 Å²	101.2	65%	0.646	51%	0.508	S	S	*	.			trans	-68.4	-36.5	-179	-63.5	170.2	0	0	0	110.5	S95 M99	S95-I97 VanDerWaalsContact C-N 3.34Å; I97-M99 HydrophobicContact CG2-CG 4.08Å; I97-M99 HydrophobicContact CG2-SD 3.73Å; I97-M99 PolarHBondContact O-N 3.16Å
98	G	98.2	Very high	98.1	Very high	16 Å²	16	102.5 Å²	102.5	17%	0.165	52%	0.519	C	S	.	.	B	Isolated β-bridge	trans	71.7	-121.3	-175.1	0	0	0	0	0	111	Y96 G100 F101	Y96-G98 VanDerWaalsContact C-N 3.34Å; G98-G100 VanDerWaalsContact C-N 3.27Å; G98-G100 PolarHBondContact O-N 3.3Å; G98-F101 PolarHBondContact O-N 2.92Å; G98-F101 VanDerWaalsContact O-N 3.13Å; G98-F101 VanDerWaalsContact O-O 3.12Å
99	M	98.3	Very high	98.1	Very high	70 Å²	70	102.9 Å²	102.9	35%	0.345	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	39	177.8	-54.3	179	70.4	0	0	113.7	I97 P190 Q191	I97-M99 HydrophobicContact CG2-CG 4.08Å; I97-M99 HydrophobicContact CG2-SD 3.73Å; I97-M99 PolarHBondContact O-N 3.16Å; M99-P190 HydrophobicContact CE-CG 3.76Å; M99-Q191 PolarHBondContact O-NE2 3.34Å
100	G	98.2	Very high	98.1	Very high	5 Å²	5	99.6 Å²	99.6	5%	0.052	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-4.2	178.5	0	0	0	0	0	114.8	G98 Y102 H189	G98-G100 VanDerWaalsContact C-N 3.27Å; G98-G100 PolarHBondContact O-N 3.3Å; G100-Y102 PolarHBondContact N-OH 3.22Å; G100-H189 WeakPolarHBondContact CA-NE2 3.41Å; G100-H189 PolarHBondContact N-NE2 3.31Å
101	F	98.7	Very high	98.1	Very high	79 Å²	79	99.8 Å²	99.8	35%	0.346	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-124.6	115.8	177.4	-57.3	-84.9	0	0	0	110.4	G98 L286 H292	G98-F101 PolarHBondContact O-N 2.92Å; G98-F101 VanDerWaalsContact O-N 3.13Å; G98-F101 VanDerWaalsContact O-O 3.12Å; F101-L286 HydrophobicContact CB-CD2 3.98Å; F101-H292 AromaticContact CE1-ND1 3.82Å
102	Y	98.5	Very high	98.1	Very high	66 Å²	66	100.3 Å²	100.3	26%	0.259	49%	0.49	S	S	.	.			trans	-128.3	123.6	-173.7	-50.9	-86.1	0	0	0	109	G100 C104 Q280	G100-Y102 PolarHBondContact N-OH 3.22Å; Y102-C104 PolarHBondContact O-N 3.17Å; Y102-Q280 PolarHBondContact O-NE2 2.88Å; Y102-Q280 PolarHBondContact O-OE1 3.34Å
103	D	98.3	Very high	98.1	Very high	116 Å²	116	96.1 Å²	96.1	62%	0.62	47%	0.469	S	S	*	.			trans	-59.9	140.9	179.1	-162.2	18.2	0	0	0	110.2	L286	D103-L286 HydrophobicContact CB-CD1 4.27Å
104	C	97.9	Very high	98.1	Very high	32 Å²	32	90 Å²	90	22%	0.216	45%	0.451	C	S	.	.			trans	-149.1	163.1	-175.8	77.2	0	0	0	0	110.9	Y102 L106 R281 G283 L284	Y102-C104 PolarHBondContact O-N 3.17Å; C104-L106 PolarHBondContact O-N 3.16Å; C104-R281 HydrophobicContact CB-CB 4.48Å; C104-G283 VanDerWaalsContact SG-CA 3.57Å; C104-L284 PolarHBondContact SG-N 3.03Å; C104-L284 PolarHBondContact SG-O 3.03Å
105	I	98	Very high	97.9	Very high	152 Å²	152	86.7 Å²	86.7	78%	0.779	44%	0.437	S	S	*	.			trans	-88.1	110.2	177.8	-58.8	175.3	0	0	0	108	P107	I105-P107 WeakPolarHBondContact O-CD 3.43Å
106	L	97.4	Very high	97.8	Very high	32 Å²	32	88.8 Å²	88.8	17%	0.168	44%	0.44	C	S	.	.			trans	-69.5	113.3	164.3	166.8	60.5	0	0	0	108.4	C104 A108 I110 R111 G283 P285	C104-L106 PolarHBondContact O-N 3.16Å; L106-A108 PolarHBondContact O-N 3.35Å; L106-I110 HydrophobicContact CD1-CB 4.36Å; L106-I110 HydrophobicContact CD1-CG2 4.03Å; L106-R111 HydrophobicContact CD1-CB 4.3Å; L106-R111 HydrophobicContact CD2-CB 3.75Å; L106-R111 HydrophobicContact CD2-CG 3.84Å; L106-R111 HydrophobicContact CG-CB 3.9Å; L106-G283 WeakPolarHBondContact CA-O 3.41Å; L106-G283 WeakPolarHBondContact CB-O 3.37Å; L106-G283 WeakPolarHBondContact CD1-O 3.22Å; L106-P285 HydrophobicContact CD2-CG 3.95Å
107	P	98.4	Very high	97.8	Very high	52 Å²	52	81.7 Å²	81.7	34%	0.338	42%	0.416	S	S	.	.			trans	-60.5	129	-178.5	-25.6	37.6	0	0	0	111	I105 V109 I110 R111	I105-P107 WeakPolarHBondContact O-CD 3.43Å; P107-V109 HydrophobicContact CB-CG1 4.43Å; P107-V109 PolarHBondContact O-N 3.3Å; P107-V109 VanDerWaalsContact O-N 3.11Å; P107-I110 HydrophobicContact CB-CB 4.4Å; P107-I110 HydrophobicContact CB-CD1 4.18Å; P107-I110 HydrophobicContact CB-CG1 4.27Å; P107-I110 HydrophobicContact CG-CD1 4.01Å; P107-I110 PolarHBondContact O-N 3.12Å; P107-R111 PolarHBondContact O-N 2.85Å
108	A	98.1	Very high	97.6	Very high	79 Å²	79	83 Å²	83	65%	0.653	42%	0.417	S	S	*	.	H	α-helix	trans	-57.6	-32.9	-173.8	0	0	0	0	0	113.1	L106 R111 R112	L106-A108 PolarHBondContact O-N 3.35Å; A108-R111 PolarHBondContact O-N 3.43Å; A108-R112 WeakPolarHBondContact O-CB 3.35Å; A108-R112 PolarHBondContact O-N 2.86Å
109	V	98.4	Very high	97.4	Very high	99 Å²	99	87.3 Å²	87.3	60%	0.6	44%	0.44	S	S	*	.	H	α-helix	trans	-66.6	-38.1	176	69.1	0	0	0	0	112.4	P107 N113	P107-V109 HydrophobicContact CB-CG1 4.43Å; P107-V109 PolarHBondContact O-N 3.3Å; P107-V109 VanDerWaalsContact O-N 3.11Å; V109-N113 WeakPolarHBondContact CG2-ND2 3.38Å; V109-N113 VanDerWaalsContact O-CB 3.29Å; V109-N113 WeakPolarHBondContact O-CB 3.46Å; V109-N113 PolarHBondContact O-N 2.73Å; V109-N113 VanDerWaalsContact O-N 3.1Å; V109-N113 PolarHBondContact O-ND2 3.25Å
110	I	98.1	Very high	97.4	Very high	77 Å²	77	88.9 Å²	88.9	40%	0.395	44%	0.442	S	S	.	.	H	α-helix	trans	-72	-44.2	175.5	-67.3	177.6	0	0	0	109.6	L106 P107 R112 I114 F115	L106-I110 HydrophobicContact CD1-CB 4.36Å; L106-I110 HydrophobicContact CD1-CG2 4.03Å; P107-I110 HydrophobicContact CB-CB 4.4Å; P107-I110 HydrophobicContact CB-CD1 4.18Å; P107-I110 HydrophobicContact CB-CG1 4.27Å; P107-I110 HydrophobicContact CG-CD1 4.01Å; P107-I110 PolarHBondContact O-N 3.12Å; I110-R112 PolarHBondContact O-N 3.35Å; I110-I114 HydrophobicContact CG2-CB 4.44Å; I110-I114 HydrophobicContact CG2-CD1 4.27Å; I110-I114 WeakPolarHBondContact O-CA 3.46Å; I110-I114 WeakPolarHBondContact O-CB 3.09Å; I110-I114 PolarHBondContact O-N 2.71Å; I110-F115 PolarHBondContact O-N 3.23Å; I110-F115 VanDerWaalsContact O-N 3.13Å
111	R	97.6	Very high	97.2	Very high	128 Å²	128	93 Å²	93	48%	0.483	46%	0.463	S	S	.	.	I	π-helix	trans	-52.2	-56	176.4	-177.4	175.5	170.8	168.2	0.6	111.3	L106 P107 A108 F115 E116	L106-R111 HydrophobicContact CD1-CB 4.3Å; L106-R111 HydrophobicContact CD2-CB 3.75Å; L106-R111 HydrophobicContact CD2-CG 3.84Å; L106-R111 HydrophobicContact CG-CB 3.9Å; P107-R111 PolarHBondContact O-N 2.85Å; A108-R111 PolarHBondContact O-N 3.43Å; R111-F115 CarbonylContact O-C 3.52Å; R111-F115 WeakPolarHBondContact O-CB 3.35Å; R111-F115 PolarHBondContact O-N 2.94Å; R111-E116 HydrophobicContact CG-CG 4.26Å; R111-E116 IonicContact CZ-OE1 2.71Å; R111-E116 IonicContact NE-OE1 3.57Å; R111-E116 PolarHBondContact NE-OE1 3.22Å; R111-E116 IonicContact NE-OE2 3.36Å; R111-E116 IonicContact NH2-OE1 2.73Å; R111-E116 PolarHBondContact NH2-OE1 2.88Å; R111-E116 WeakPolarHBondContact O-CB 3.48Å; R111-E116 PolarHBondContact O-N 2.9Å
112	R	98	Very high	97.1	Very high	186 Å²	186	94.2 Å²	94.2	70%	0.702	48%	0.477	S	S	*	.	I	π-helix	trans	-70.2	-42.9	-174.3	-173.9	178.9	-179.8	92.9	-0.9	112.9	A108 I110	A108-R112 WeakPolarHBondContact O-CB 3.35Å; A108-R112 PolarHBondContact O-N 2.86Å; I110-R112 PolarHBondContact O-N 3.35Å
113	N	98	Very high	97	Very high	80 Å²	80	93.5 Å²	93.5	43%	0.428	48%	0.481	S	S	.	.	I	π-helix	trans	-96.3	-12.6	-167.8	-59.7	-69.8	0	0	0	114.4	V109 N117	V109-N113 WeakPolarHBondContact CG2-ND2 3.38Å; V109-N113 VanDerWaalsContact O-CB 3.29Å; V109-N113 WeakPolarHBondContact O-CB 3.46Å; V109-N113 PolarHBondContact O-N 2.73Å; V109-N113 VanDerWaalsContact O-N 3.1Å; V109-N113 PolarHBondContact O-ND2 3.25Å; N113-N117 VanDerWaalsContact O-CB 3.24Å; N113-N117 WeakPolarHBondContact O-CB 3.3Å; N113-N117 PolarHBondContact O-ND2 3.4Å
114	I	97.2	Very high	96.9	Very high	72 Å²	72	96.9 Å²	96.9	37%	0.369	49%	0.487	S	S	.	.	I	π-helix	trans	-121.7	-61.5	176.8	-59.1	174.1	0	0	0	109.8	I110 E116 N117 W120	I110-I114 HydrophobicContact CG2-CB 4.44Å; I110-I114 HydrophobicContact CG2-CD1 4.27Å; I110-I114 WeakPolarHBondContact O-CA 3.46Å; I110-I114 WeakPolarHBondContact O-CB 3.09Å; I110-I114 PolarHBondContact O-N 2.71Å; I114-E116 PolarHBondContact O-N 2.83Å; I114-N117 PolarHBondContact O-N 3.34Å; I114-W120 HydrophobicContact CG2-CB 4.38Å; I114-W120 HydrophobicContact CG2-CD2 4.29Å; I114-W120 HydrophobicContact CG2-CG 4.18Å
115	F	93.6	Very high	96.9	Very high	100 Å²	100	96.4 Å²	96.4	44%	0.439	48%	0.483	S	S	.	.	I	π-helix	trans	-70.7	-27.6	-170.7	-171.2	-99.6	0	0	0	114.5	I110 R111 L121	I110-F115 PolarHBondContact O-N 3.23Å; I110-F115 VanDerWaalsContact O-N 3.13Å; R111-F115 CarbonylContact O-C 3.52Å; R111-F115 WeakPolarHBondContact O-CB 3.35Å; R111-F115 PolarHBondContact O-N 2.94Å; F115-L121 WeakPolarHBondContact O-CD1 3.38Å
116	E	96.6	Very high	96.9	Very high	99 Å²	99	90.5 Å²	90.5	46%	0.463	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	17.1	177.2	-64.4	173.7	165	0	0	111.5	R111 I114	R111-E116 HydrophobicContact CG-CG 4.26Å; R111-E116 IonicContact CZ-OE1 2.71Å; R111-E116 IonicContact NE-OE1 3.57Å; R111-E116 PolarHBondContact NE-OE1 3.22Å; R111-E116 IonicContact NE-OE2 3.36Å; R111-E116 IonicContact NH2-OE1 2.73Å; R111-E116 PolarHBondContact NH2-OE1 2.88Å; R111-E116 WeakPolarHBondContact O-CB 3.48Å; R111-E116 PolarHBondContact O-N 2.9Å; I114-E116 PolarHBondContact O-N 2.83Å
117	N	97.5	Very high	96.9	Very high	50 Å²	50	96.9 Å²	96.9	27%	0.267	48%	0.478	S	S	.	.			trans	-113.3	111.7	-176.3	-173.6	-3.3	0	0	0	112.2	N113 I114 T119 W120 L121	N113-N117 VanDerWaalsContact O-CB 3.24Å; N113-N117 WeakPolarHBondContact O-CB 3.3Å; N113-N117 PolarHBondContact O-ND2 3.4Å; I114-N117 PolarHBondContact O-N 3.34Å; N117-T119 PolarHBondContact ND2-OG1 3.04Å; N117-T119 PolarHBondContact O-N 2.82Å; N117-T119 VanDerWaalsContact O-N 3.11Å; N117-T119 PolarHBondContact OD1-N 3.42Å; N117-T119 PolarHBondContact OD1-OG1 3.34Å; N117-W120 PolarHBondContact O-N 3.25Å; N117-L121 WeakPolarHBondContact O-CG 3.33Å; N117-L121 PolarHBondContact O-N 3.24Å
118	F	95.5	Very high	96.8	Very high	154 Å²	154	100.2 Å²	100.2	68%	0.675	49%	0.489	S	S	*	.	H	α-helix	trans	-60.1	-24.1	-177.6	-70.7	-67.2	0	0	0	114.7	W120 L121 T122	F118-W120 PolarHBondContact O-N 3.27Å; F118-L121 PolarHBondContact O-N 3.22Å; F118-T122 HydrophobicContact CB-CG2 3.92Å; F118-T122 HydrophobicContact CD1-CG2 3.92Å; F118-T122 HydrophobicContact CG-CG2 4.38Å; F118-T122 WeakPolarHBondContact O-CB 3.48Å; F118-T122 VanDerWaalsContact O-CG2 3.25Å; F118-T122 WeakPolarHBondContact O-CG2 3.41Å; F118-T122 PolarHBondContact O-N 2.7Å; F118-T122 PolarHBondContact O-OG1 3.21Å
119	T	94.1	Very high	96.7	Very high	106 Å²	106	99 Å²	99	65%	0.65	47%	0.474	S	S	*	.	H	α-helix	trans	-65.3	-26.5	176.2	64.4	0	0	0	0	112.7	N117	N117-T119 PolarHBondContact ND2-OG1 3.04Å; N117-T119 PolarHBondContact O-N 2.82Å; N117-T119 VanDerWaalsContact O-N 3.11Å; N117-T119 PolarHBondContact OD1-N 3.42Å; N117-T119 PolarHBondContact OD1-OG1 3.34Å
120	W	97.1	Very high	96.7	Very high	102 Å²	102	101.3 Å²	101.3	39%	0.386	48%	0.478	S	S	.	.	H	α-helix	trans	-87.7	-35.3	173.6	-79.8	94.1	0	0	0	112.7	I114 N117 F118 R135	I114-W120 HydrophobicContact CG2-CB 4.38Å; I114-W120 HydrophobicContact CG2-CD2 4.29Å; I114-W120 HydrophobicContact CG2-CG 4.18Å; N117-W120 PolarHBondContact O-N 3.25Å; F118-W120 PolarHBondContact O-N 3.27Å; W120-R135 HydrophobicContact CZ3-CB 4.25Å
121	L	95.1	Very high	96.6	Very high	92 Å²	92	104.4 Å²	104.4	48%	0.482	49%	0.494	S	S	.	.	H	α-helix	trans	-91.1	-22.9	-167.5	-56.6	171.9	0	0	0	115.1	F115 N117 F118	F115-L121 WeakPolarHBondContact O-CD1 3.38Å; N117-L121 WeakPolarHBondContact O-CG 3.33Å; N117-L121 PolarHBondContact O-N 3.24Å; F118-L121 PolarHBondContact O-N 3.22Å
122	T	96.8	Very high	96.6	Very high	104 Å²	104	98.4 Å²	98.4	64%	0.638	47%	0.472	S	S	*	.	S	Bend	trans	-86.4	-23.5	-172.4	54.3	0	0	0	0	113.5	F118	F118-T122 HydrophobicContact CB-CG2 3.92Å; F118-T122 HydrophobicContact CD1-CG2 3.92Å; F118-T122 HydrophobicContact CG-CG2 4.38Å; F118-T122 WeakPolarHBondContact O-CB 3.48Å; F118-T122 VanDerWaalsContact O-CG2 3.25Å; F118-T122 WeakPolarHBondContact O-CG2 3.41Å; F118-T122 PolarHBondContact O-N 2.7Å; F118-T122 PolarHBondContact O-OG1 3.21Å
123	S	95.9	Very high	96.6	Very high	51 Å²	51	94.9 Å²	94.9	36%	0.357	46%	0.463	S	S	.	.			trans	-71.2	151.8	176.3	75.8	0	0	0	0	111.4
124	Y	96.7	Very high	96.6	Very high	187 Å²	187	93.3 Å²	93.3	73%	0.733	47%	0.466	S	S	*	.			trans	-105.1	-163.4	176.1	-162.2	-132.8	0	0	0	111.8	R135	Y124-R135 PolarHBondContact O-NE 2.87Å; Y124-R135 VanDerWaalsContact O-NE 3.11Å; Y124-R135 PolarHBondContact O-NH2 2.92Å
125	T	97.3	Very high	96.6	Very high	23 Å²	23	92.7 Å²	92.7	14%	0.141	46%	0.459	C	S	.	.			trans	-45.2	134	178.4	-54.6	0	0	0	0	111.6	Y127	T125-Y127 VanDerWaalsContact CB-CE2 3.45Å; T125-Y127 HydrophobicContact CG2-CD1 3.97Å; T125-Y127 HydrophobicContact CG2-CD2 4.15Å; T125-Y127 HydrophobicContact CG2-CE1 3.58Å; T125-Y127 HydrophobicContact CG2-CE2 3.78Å; T125-Y127 HydrophobicContact CG2-CG 4.24Å; T125-Y127 VanDerWaalsContact CG2-CZ 3.47Å; T125-Y127 PolarHBondContact O-N 2.73Å
126	P	96.7	Very high	96.8	Very high	28 Å²	28	89.1 Å²	89.1	18%	0.182	45%	0.445	C	S	.	.			trans	-75	59.5	-175.6	33.3	-38.5	0	0	0	113.3	Q128 A132 R135 L136	P126-Q128 PolarHBondContact O-N 3.14Å; P126-A132 HydrophobicContact CB-CB 3.53Å; P126-R135 HydrophobicContact CB-CG 4.43Å; P126-L136 HydrophobicContact CB-CD1 4.3Å; P126-L136 HydrophobicContact CB-CD2 3.77Å; P126-L136 HydrophobicContact CB-CG 3.89Å; P126-L136 HydrophobicContact CG-CD2 3.54Å; P126-L136 HydrophobicContact CG-CG 4.18Å
127	Y	97.3	Very high	96.9	Very high	166 Å²	166	90.5 Å²	90.5	65%	0.651	45%	0.451	S	S	*	.	S	Bend	trans	-69.4	-21.2	176.9	-62.6	-60	0	0	0	113.7	T125 P129	T125-Y127 VanDerWaalsContact CB-CE2 3.45Å; T125-Y127 HydrophobicContact CG2-CD1 3.97Å; T125-Y127 HydrophobicContact CG2-CD2 4.15Å; T125-Y127 HydrophobicContact CG2-CE1 3.58Å; T125-Y127 HydrophobicContact CG2-CE2 3.78Å; T125-Y127 HydrophobicContact CG2-CG 4.24Å; T125-Y127 VanDerWaalsContact CG2-CZ 3.47Å; T125-Y127 PolarHBondContact O-N 2.73Å; Y127-P129 WeakPolarHBondContact O-CD 3.49Å
128	Q	97.1	Very high	96.9	Very high	121 Å²	121	90.9 Å²	90.9	57%	0.565	46%	0.457	S	S	*	.	S	Bend	trans	-111.8	84.6	176	-62.6	-65.1	-75.6	0	0	107.7	P126 E130 I131 A132	P126-Q128 PolarHBondContact O-N 3.14Å; Q128-E130 PolarHBondContact O-N 2.9Å; Q128-I131 HydrophobicContact CB-CD1 4.04Å; Q128-I131 HydrophobicContact CB-CG1 3.75Å; Q128-I131 WeakPolarHBondContact O-CG1 3.32Å; Q128-I131 PolarHBondContact O-N 2.75Å; Q128-A132 VanDerWaalsContact O-CB 3.29Å; Q128-A132 WeakPolarHBondContact O-CB 3.46Å; Q128-A132 PolarHBondContact O-N 3.39Å
129	P	96.3	Very high	97.1	Very high	54 Å²	54	85.9 Å²	85.9	35%	0.351	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-60.1	-32.1	-169.2	22.6	-32.8	0	0	0	113.4	Y127 I131 A132 Q133 L136	Y127-P129 WeakPolarHBondContact O-CD 3.49Å; P129-I131 PolarHBondContact O-N 3.35Å; P129-A132 PolarHBondContact O-N 3.21Å; P129-Q133 WeakPolarHBondContact O-CG 3.34Å; P129-Q133 PolarHBondContact O-N 2.86Å; P129-Q133 PolarHBondContact O-NE2 2.82Å; P129-L136 HydrophobicContact CB-CD1 3.84Å
130	E	97.3	Very high	97.3	Very high	147 Å²	147	83.1 Å²	83.1	69%	0.687	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-60.9	-30.4	-177.7	-59.1	79.3	-175.4	0	0	112.5	Q128	Q128-E130 PolarHBondContact O-N 2.9Å
131	I	96.9	Very high	97.4	Very high	142 Å²	142	82.6 Å²	82.6	73%	0.728	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-109.3	18.3	177.2	63	168.7	0	0	0	112.3	Q128 P129	Q128-I131 HydrophobicContact CB-CD1 4.04Å; Q128-I131 HydrophobicContact CB-CG1 3.75Å; Q128-I131 WeakPolarHBondContact O-CG1 3.32Å; Q128-I131 PolarHBondContact O-N 2.75Å; P129-I131 PolarHBondContact O-N 3.35Å
132	A	97.8	Very high	97.5	Very high	2 Å²	2	79.8 Å²	79.8	2%	0.017	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133	6.1	-175.1	0	0	0	0	0	114.7	P126 Q128 P129 G134 R135 L136	P126-A132 HydrophobicContact CB-CB 3.53Å; Q128-A132 VanDerWaalsContact O-CB 3.29Å; Q128-A132 WeakPolarHBondContact O-CB 3.46Å; Q128-A132 PolarHBondContact O-N 3.39Å; P129-A132 PolarHBondContact O-N 3.21Å; A132-G134 VanDerWaalsContact C-N 3.27Å; A132-G134 PolarHBondContact O-N 2.92Å; A132-G134 VanDerWaalsContact O-N 3.17Å; A132-R135 VanDerWaalsContact CA-NH1 3.35Å; A132-R135 HydrophobicContact CB-CG 4.44Å; A132-R135 VanDerWaalsContact CB-NH1 3.29Å; A132-R135 WeakPolarHBondContact O-CG 3.37Å; A132-R135 PolarHBondContact O-N 3Å; A132-L136 HydrophobicContact CB-CD1 4.12Å; A132-L136 HydrophobicContact CB-CG 4.4Å; A132-L136 WeakPolarHBondContact O-CG 3.39Å; A132-L136 PolarHBondContact O-N 3.1Å
133	Q	97.7	Very high	97.6	Very high	112 Å²	112	75.4 Å²	75.4	52%	0.523	38%	0.379	S	S	.	.	H	α-helix	trans	-53.3	-40	-175	-68.8	-59.9	-66.6	0	0	113.2	P129 R135 L136 E137	P129-Q133 WeakPolarHBondContact O-CG 3.34Å; P129-Q133 PolarHBondContact O-N 2.86Å; P129-Q133 PolarHBondContact O-NE2 2.82Å; Q133-R135 PolarHBondContact O-N 3.14Å; Q133-L136 PolarHBondContact O-N 2.81Å; Q133-E137 WeakPolarHBondContact O-CB 3.42Å; Q133-E137 PolarHBondContact O-N 3.14Å
134	G	97.4	Very high	97.8	Very high	47 Å²	47	75.9 Å²	75.9	49%	0.485	38%	0.38	S	S	.	.	H	α-helix	trans	-59.4	-44.2	-179.6	0	0	0	0	0	114.2	A132 S138	A132-G134 VanDerWaalsContact C-N 3.27Å; A132-G134 PolarHBondContact O-N 2.92Å; A132-G134 VanDerWaalsContact O-N 3.17Å; G134-S138 PolarHBondContact O-N 2.96Å; G134-S138 VanDerWaalsContact O-N 3.12Å
135	R	97.4	Very high	97.9	Very high	60 Å²	60	69.2 Å²	69.2	23%	0.226	36%	0.356	C	S	.	.	H	α-helix	trans	-79.3	-28.7	176.6	67.3	-177.7	176.5	-72	1	112.7	W120 Y124 P126 A132 Q133 S138 L139	W120-R135 HydrophobicContact CZ3-CB 4.25Å; Y124-R135 PolarHBondContact O-NE 2.87Å; Y124-R135 VanDerWaalsContact O-NE 3.11Å; Y124-R135 PolarHBondContact O-NH2 2.92Å; P126-R135 HydrophobicContact CB-CG 4.43Å; A132-R135 VanDerWaalsContact CA-NH1 3.35Å; A132-R135 HydrophobicContact CB-CG 4.44Å; A132-R135 VanDerWaalsContact CB-NH1 3.29Å; A132-R135 WeakPolarHBondContact O-CG 3.37Å; A132-R135 PolarHBondContact O-N 3Å; Q133-R135 PolarHBondContact O-N 3.14Å; R135-S138 PolarHBondContact O-N 2.86Å; R135-L139 WeakPolarHBondContact O-CB 3.45Å; R135-L139 VanDerWaalsContact O-CG 3.26Å; R135-L139 WeakPolarHBondContact O-CG 3.22Å; R135-L139 PolarHBondContact O-N 2.93Å
136	L	98.4	Very high	97.9	Very high	25 Å²	25	68.1 Å²	68.1	13%	0.131	35%	0.349	C	S	.	.	H	α-helix	trans	-64.5	-44.4	172.7	-73.5	169.1	0	0	0	111.2	P126 P129 A132 Q133 L139 M140 V316	P126-L136 HydrophobicContact CB-CD1 4.3Å; P126-L136 HydrophobicContact CB-CD2 3.77Å; P126-L136 HydrophobicContact CB-CG 3.89Å; P126-L136 HydrophobicContact CG-CD2 3.54Å; P126-L136 HydrophobicContact CG-CG 4.18Å; P129-L136 HydrophobicContact CB-CD1 3.84Å; A132-L136 HydrophobicContact CB-CD1 4.12Å; A132-L136 HydrophobicContact CB-CG 4.4Å; A132-L136 WeakPolarHBondContact O-CG 3.39Å; A132-L136 PolarHBondContact O-N 3.1Å; Q133-L136 PolarHBondContact O-N 2.81Å; L136-L139 PolarHBondContact O-N 2.84Å; L136-M140 PolarHBondContact O-N 2.81Å; L136-V316 HydrophobicContact CB-CG1 4.25Å; L136-V316 HydrophobicContact CD2-CG1 4.05Å; L136-V316 HydrophobicContact CD2-CG2 3.97Å
137	E	98.6	Very high	98	Very high	128 Å²	128	67.8 Å²	67.8	60%	0.598	35%	0.347	S	S	*	.	H	α-helix	trans	-62.6	-45.6	173.5	-174.1	-176.5	151.4	0	0	111.2	Q133 L139 M140 N141	Q133-E137 WeakPolarHBondContact O-CB 3.42Å; Q133-E137 PolarHBondContact O-N 3.14Å; E137-L139 VanDerWaalsContact C-N 3.29Å; E137-L139 PolarHBondContact O-N 3.42Å; E137-M140 WeakPolarHBondContact O-CB 3.47Å; E137-M140 PolarHBondContact O-N 3Å; E137-M140 VanDerWaalsContact O-N 3.1Å; E137-N141 VanDerWaalsContact O-CG 3.26Å; E137-N141 PolarHBondContact O-N 3.17Å; E137-N141 PolarHBondContact O-ND2 3.06Å
138	S	98.4	Very high	98.1	Very high	57 Å²	57	66.9 Å²	66.9	40%	0.399	35%	0.349	S	S	.	.	H	α-helix	trans	-59.2	-38.2	175.9	180	0	0	0	0	113	G134 R135 N141 F142	G134-S138 PolarHBondContact O-N 2.96Å; G134-S138 VanDerWaalsContact O-N 3.12Å; R135-S138 PolarHBondContact O-N 2.86Å; S138-N141 PolarHBondContact O-N 2.84Å; S138-F142 PolarHBondContact O-N 2.82Å; S138-F142 VanDerWaalsContact O-N 3.09Å
139	L	98.6	Very high	98.1	Very high	49 Å²	49	63.1 Å²	63.1	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-72.1	-34.6	174.7	-72.2	171.7	0	0	0	112.4	R135 L136 E137 N141 F142 Q143 A157 V316	R135-L139 WeakPolarHBondContact O-CB 3.45Å; R135-L139 VanDerWaalsContact O-CG 3.26Å; R135-L139 WeakPolarHBondContact O-CG 3.22Å; R135-L139 PolarHBondContact O-N 2.93Å; L136-L139 PolarHBondContact O-N 2.84Å; E137-L139 VanDerWaalsContact C-N 3.29Å; E137-L139 PolarHBondContact O-N 3.42Å; L139-N141 VanDerWaalsContact C-N 3.32Å; L139-F142 WeakPolarHBondContact O-CB 3.38Å; L139-F142 PolarHBondContact O-N 3.22Å; L139-Q143 WeakPolarHBondContact O-CG 3.26Å; L139-Q143 PolarHBondContact O-N 2.87Å; L139-A157 HydrophobicContact CB-CB 4.38Å; L139-A157 HydrophobicContact CD1-CB 4.36Å; L139-A157 HydrophobicContact CD2-CB 4.23Å; L139-V316 HydrophobicContact CB-CG2 3.69Å; L139-V316 HydrophobicContact CD1-CG2 4.28Å
140	M	98.4	Very high	98.2	Very high	49 Å²	49	60.6 Å²	60.6	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-43.2	170.4	-171.9	69.6	81.2	0	0	110.6	L136 E137 F142 Q143 T144 V316	L136-M140 PolarHBondContact O-N 2.81Å; E137-M140 WeakPolarHBondContact O-CB 3.47Å; E137-M140 PolarHBondContact O-N 3Å; E137-M140 VanDerWaalsContact O-N 3.1Å; M140-F142 VanDerWaalsContact C-N 3.29Å; M140-F142 PolarHBondContact O-N 3.11Å; M140-Q143 WeakPolarHBondContact O-CB 3.46Å; M140-Q143 PolarHBondContact O-N 2.64Å; M140-Q143 VanDerWaalsContact O-N 3.08Å; M140-T144 PolarHBondContact O-N 2.87Å; M140-T144 PolarHBondContact O-OG1 3.26Å; M140-T144 VanDerWaalsContact O-OG1 3.06Å; M140-V316 HydrophobicContact CB-CG1 4.47Å; M140-V316 HydrophobicContact CE-CB 4.23Å; M140-V316 HydrophobicContact CE-CG1 3.8Å
141	N	98.6	Very high	98.3	Very high	91 Å²	91	55.1 Å²	55.1	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-38.8	175.7	-64.9	-19.5	0	0	0	111.7	E137 S138 L139 M145	E137-N141 VanDerWaalsContact O-CG 3.26Å; E137-N141 PolarHBondContact O-N 3.17Å; E137-N141 PolarHBondContact O-ND2 3.06Å; S138-N141 PolarHBondContact O-N 2.84Å; L139-N141 VanDerWaalsContact C-N 3.32Å; N141-M145 VanDerWaalsContact O-CB 3.26Å; N141-M145 WeakPolarHBondContact O-CB 3.24Å; N141-M145 PolarHBondContact O-N 3.16Å
142	F	98.8	Very high	98.3	Very high	32 Å²	32	49.1 Å²	49.1	14%	0.14	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-46.5	171.2	173.8	-92.6	0	0	0	111.8	S138 L139 M140 M145 V146 A279 A293 F295	S138-F142 PolarHBondContact O-N 2.82Å; S138-F142 VanDerWaalsContact O-N 3.09Å; L139-F142 WeakPolarHBondContact O-CB 3.38Å; L139-F142 PolarHBondContact O-N 3.22Å; M140-F142 VanDerWaalsContact C-N 3.29Å; M140-F142 PolarHBondContact O-N 3.11Å; F142-M145 HydrophobicContact CD2-CE 3.87Å; F142-M145 HydrophobicContact CE2-CE 4.12Å; F142-M145 PolarHBondContact O-N 2.85Å; F142-V146 HydrophobicContact CD1-CG2 4.39Å; F142-V146 HydrophobicContact CE1-CG2 4Å; F142-V146 HydrophobicContact CE2-CG2 4.21Å; F142-V146 HydrophobicContact CZ-CG2 3.91Å; F142-V146 WeakPolarHBondContact O-CG2 3.34Å; F142-V146 PolarHBondContact O-N 3.48Å; F142-A279 HydrophobicContact CE2-CB 3.91Å; F142-A293 HydrophobicContact CE2-CB 4.29Å; F142-A293 HydrophobicContact CZ-CB 4.32Å; F142-F295 HydrophobicContact CZ-CB 4.02Å
143	Q	98.8	Very high	98.2	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-47.2	177.9	-73.2	171.3	-123.4	0	0	111.8	L139 M140 V146 C147 S155 N156 V316	L139-Q143 WeakPolarHBondContact O-CG 3.26Å; L139-Q143 PolarHBondContact O-N 2.87Å; M140-Q143 WeakPolarHBondContact O-CB 3.46Å; M140-Q143 PolarHBondContact O-N 2.64Å; M140-Q143 VanDerWaalsContact O-N 3.08Å; Q143-V146 PolarHBondContact O-N 2.96Å; Q143-C147 PolarHBondContact O-N 3.18Å; Q143-C147 PolarHBondContact O-SG 3.35Å; Q143-C147 VanDerWaalsContact O-SG 3.36Å; Q143-S155 WeakPolarHBondContact CG-O 3.45Å; Q143-S155 PolarHBondContact NE2-O 3.34Å; Q143-N156 WeakPolarHBondContact CG-O 3.41Å; Q143-V316 PolarHBondContact NE2-O 2.87Å; Q143-V316 VanDerWaalsContact NE2-O 3.08Å
144	T	98.7	Very high	98.2	Very high	61 Å²	61	46.4 Å²	46.4	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-48.8	177.1	-56.1	0	0	0	0	111.3	M140 V146 C147 E148	M140-T144 PolarHBondContact O-N 2.87Å; M140-T144 PolarHBondContact O-OG1 3.26Å; M140-T144 VanDerWaalsContact O-OG1 3.06Å; T144-V146 VanDerWaalsContact C-N 3.32Å; T144-V146 PolarHBondContact O-N 3.37Å; T144-C147 PolarHBondContact O-N 2.67Å; T144-C147 VanDerWaalsContact O-N 3.15Å; T144-E148 HydrophobicContact CG2-CG 4.39Å; T144-E148 WeakPolarHBondContact O-CG 3.35Å; T144-E148 PolarHBondContact O-N 2.81Å
145	M	98.8	Very high	98.3	Very high	48 Å²	48	44.2 Å²	44.2	24%	0.236	24%	0.238	C	C	.	.	H	α-helix	trans	-56.8	-45.9	177.3	175.4	-80.3	-66	0	0	111.2	N141 F142 E148 M149 L258 F282	N141-M145 VanDerWaalsContact O-CB 3.26Å; N141-M145 WeakPolarHBondContact O-CB 3.24Å; N141-M145 PolarHBondContact O-N 3.16Å; F142-M145 HydrophobicContact CD2-CE 3.87Å; F142-M145 HydrophobicContact CE2-CE 4.12Å; F142-M145 PolarHBondContact O-N 2.85Å; M145-E148 PolarHBondContact O-N 3.22Å; M145-M149 HydrophobicContact CG-CG 4.27Å; M145-M149 VanDerWaalsContact O-CB 3.32Å; M145-M149 WeakPolarHBondContact O-CB 3.39Å; M145-M149 WeakPolarHBondContact O-CG 3.46Å; M145-M149 PolarHBondContact O-N 3.36Å; M145-M149 HydrophobicContact SD-CG 4Å; M145-L258 HydrophobicContact CE-CD1 4Å; M145-L258 HydrophobicContact SD-CD1 3.87Å; M145-F282 HydrophobicContact CE-CD2 4.02Å; M145-F282 HydrophobicContact CE-CE2 4.32Å; M145-F282 HydrophobicContact CG-CE2 4.31Å; M145-F282 HydrophobicContact SD-CD2 3.85Å; M145-F282 HydrophobicContact SD-CE2 3.52Å; M145-F282 VanDerWaalsContact SD-CE2 3.52Å
146	V	98.8	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-46.4	177	172.2	0	0	0	0	110.9	F142 Q143 T144 E148 M149 T150 S155 F295 A297	F142-V146 HydrophobicContact CD1-CG2 4.39Å; F142-V146 HydrophobicContact CE1-CG2 4Å; F142-V146 HydrophobicContact CE2-CG2 4.21Å; F142-V146 HydrophobicContact CZ-CG2 3.91Å; F142-V146 WeakPolarHBondContact O-CG2 3.34Å; F142-V146 PolarHBondContact O-N 3.48Å; Q143-V146 PolarHBondContact O-N 2.96Å; T144-V146 VanDerWaalsContact C-N 3.32Å; T144-V146 PolarHBondContact O-N 3.37Å; V146-E148 PolarHBondContact O-N 2.98Å; V146-M149 PolarHBondContact O-N 3.26Å; V146-T150 HydrophobicContact CG1-CG2 4.3Å; V146-T150 WeakPolarHBondContact O-CB 3.15Å; V146-T150 WeakPolarHBondContact O-CG2 3.37Å; V146-T150 PolarHBondContact O-N 2.99Å; V146-T150 PolarHBondContact O-OG1 3.33Å; V146-S155 WeakPolarHBondContact CB-OG 3.34Å; V146-S155 VanDerWaalsContact CG1-OG 3.3Å; V146-S155 WeakPolarHBondContact CG1-OG 3.35Å; V146-F295 HydrophobicContact CB-CB 4.34Å; V146-F295 HydrophobicContact CG1-CB 3.78Å; V146-F295 HydrophobicContact CG1-CD2 3.7Å; V146-F295 HydrophobicContact CG1-CG 3.98Å; V146-F295 HydrophobicContact CG2-CB 3.55Å; V146-F295 HydrophobicContact CG2-CG 4.18Å; V146-A297 HydrophobicContact CG1-CB 3.87Å
147	C	98.4	Very high	98.3	Very high	21 Å²	21	40.3 Å²	40.3	14%	0.142	22%	0.222	C	C	.	.	H	α-helix	trans	-58.7	-47.2	179.4	-72.9	0	0	0	0	111.9	Q143 T144 T150 A151 M152 G153 S155	Q143-C147 PolarHBondContact O-N 3.18Å; Q143-C147 PolarHBondContact O-SG 3.35Å; Q143-C147 VanDerWaalsContact O-SG 3.36Å; T144-C147 PolarHBondContact O-N 2.67Å; T144-C147 VanDerWaalsContact O-N 3.15Å; C147-T150 PolarHBondContact O-N 3.42Å; C147-A151 VanDerWaalsContact O-CA 3.29Å; C147-A151 WeakPolarHBondContact O-CA 3.37Å; C147-A151 PolarHBondContact O-N 2.85Å; C147-M152 WeakPolarHBondContact CB-O 3.27Å; C147-M152 PolarHBondContact O-N 3.03Å; C147-G153 PolarHBondContact SG-O 3.5Å; C147-S155 PolarHBondContact SG-N 3.44Å
148	E	98.4	Very high	98.3	Very high	147 Å²	147	35.8 Å²	35.8	69%	0.687	21%	0.205	S	C	*	.	H	α-helix	trans	-63.8	-48.6	179.3	-71.6	-178	170.9	0	0	111.7	T144 M145 V146 T150 A151	T144-E148 HydrophobicContact CG2-CG 4.39Å; T144-E148 WeakPolarHBondContact O-CG 3.35Å; T144-E148 PolarHBondContact O-N 2.81Å; M145-E148 PolarHBondContact O-N 3.22Å; V146-E148 PolarHBondContact O-N 2.98Å; E148-T150 VanDerWaalsContact C-N 3.28Å; E148-T150 PolarHBondContact O-N 3.42Å; E148-A151 PolarHBondContact O-N 3.27Å
149	M	98.5	Very high	98.4	Very high	42 Å²	42	34.3 Å²	34.3	21%	0.207	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-28.8	-178.6	-64.3	-64.6	-64.1	0	0	112.4	M145 V146 L258 C261 A262 P266 F282	M145-M149 HydrophobicContact CG-CG 4.27Å; M145-M149 VanDerWaalsContact O-CB 3.32Å; M145-M149 WeakPolarHBondContact O-CB 3.39Å; M145-M149 WeakPolarHBondContact O-CG 3.46Å; M145-M149 PolarHBondContact O-N 3.36Å; M145-M149 HydrophobicContact SD-CG 4Å; V146-M149 PolarHBondContact O-N 3.26Å; M149-L258 HydrophobicContact CB-CD2 3.97Å; M149-L258 WeakPolarHBondContact CE-O 3.4Å; M149-C261 WeakPolarHBondContact O-CB 3.33Å; M149-A262 HydrophobicContact CE-CB 3.81Å; M149-P266 VanDerWaalsContact O-CB 3.29Å; M149-P266 WeakPolarHBondContact O-CB 3.49Å; M149-F282 HydrophobicContact CE-CZ 3.9Å
150	T	98.6	Very high	98.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-100.3	-4	-179.1	61.1	0	0	0	0	113.8	V146 C147 E148 M152 T256 L258 G268 A275 F295	V146-T150 HydrophobicContact CG1-CG2 4.3Å; V146-T150 WeakPolarHBondContact O-CB 3.15Å; V146-T150 WeakPolarHBondContact O-CG2 3.37Å; V146-T150 PolarHBondContact O-N 2.99Å; V146-T150 PolarHBondContact O-OG1 3.33Å; C147-T150 PolarHBondContact O-N 3.42Å; E148-T150 VanDerWaalsContact C-N 3.28Å; E148-T150 PolarHBondContact O-N 3.42Å; T150-M152 PolarHBondContact O-N 2.61Å; T150-M152 WeakPolarHBondContact OG1-CB 3.28Å; T150-M152 WeakPolarHBondContact OG1-CG 3.33Å; T150-T256 HydrophobicContact CG2-CG2 4.31Å; T150-L258 HydrophobicContact CG2-CD2 3.91Å; T150-G268 WeakPolarHBondContact O-CA 3.47Å; T150-G268 PolarHBondContact O-N 2.94Å; T150-A275 HydrophobicContact CG2-CB 4.11Å; T150-F295 HydrophobicContact CG2-CD2 4.38Å; T150-F295 HydrophobicContact CG2-CE2 3.84Å; T150-F295 HydrophobicContact CG2-CZ 4.48Å
151	A	98	Very high	98.4	Very high	33 Å²	33	39.7 Å²	39.7	27%	0.273	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	36.8	-170.2	0	0	0	0	0	113.7	C147 E148 P266 G268 E269	C147-A151 VanDerWaalsContact O-CA 3.29Å; C147-A151 WeakPolarHBondContact O-CA 3.37Å; C147-A151 PolarHBondContact O-N 2.85Å; E148-A151 PolarHBondContact O-N 3.27Å; A151-P266 HydrophobicContact CB-CB 4.15Å; A151-P266 HydrophobicContact CB-CG 3.65Å; A151-G268 WeakPolarHBondContact O-CA 3.41Å; A151-E269 HydrophobicContact CB-CG 3.99Å
152	M	97.8	Very high	98.4	Very high	15 Å²	15	36.2 Å²	36.2	7%	0.074	20%	0.203	C	C	.	.			trans	-102.4	166.1	-179.2	-60.9	-59.1	-81.6	0	0	111.6	C147 T150 A272 D273 A275 A297 V298 S299	C147-M152 WeakPolarHBondContact CB-O 3.27Å; C147-M152 PolarHBondContact O-N 3.03Å; T150-M152 PolarHBondContact O-N 2.61Å; T150-M152 WeakPolarHBondContact OG1-CB 3.28Å; T150-M152 WeakPolarHBondContact OG1-CG 3.33Å; M152-A272 HydrophobicContact CE-CB 4.38Å; M152-A272 HydrophobicContact SD-CB 4.2Å; M152-D273 VanDerWaalsContact CE-C 3.47Å; M152-D273 WeakPolarHBondContact CE-O 3.31Å; M152-A275 HydrophobicContact CE-CB 4.3Å; M152-A275 HydrophobicContact CG-CB 3.85Å; M152-A275 HydrophobicContact SD-CB 4.31Å; M152-A297 HydrophobicContact CB-CB 3.65Å; M152-A297 HydrophobicContact CG-CB 3.93Å; M152-V298 VanDerWaalsContact CE-C 3.48Å; M152-S299 VanDerWaalsContact CE-N 3.31Å
153	G	96.3	Very high	98.4	Very high	28 Å²	28	35 Å²	35	29%	0.289	20%	0.199	S	C	.	.	S	Bend	trans	-83.6	-51.1	-175.5	0	0	0	0	0	113.5	C147 V298 D300	C147-G153 PolarHBondContact SG-O 3.5Å; G153-V298 PolarHBondContact N-O 3.19Å; G153-D300 VanDerWaalsContact CA-OD2 3.26Å; G153-D300 WeakPolarHBondContact CA-OD2 3.22Å
154	T	97.5	Very high	98.4	Very high	29 Å²	29	35.8 Å²	35.8	18%	0.178	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.1	-177.1	-59.3	0	0	0	0	111.1	A297 V298 I308 M311 I315	T154-A297 CarbonylContact O-C 3.48Å; T154-A297 WeakPolarHBondContact O-CA 3.46Å; T154-V298 PolarHBondContact N-O 3.19Å; T154-V298 VanDerWaalsContact N-O 3.11Å; T154-V298 PolarHBondContact O-N 2.82Å; T154-I308 HydrophobicContact CG2-CG1 4.31Å; T154-I308 HydrophobicContact CG2-CG2 4.35Å; T154-I308 WeakPolarHBondContact OG1-CD1 3.33Å; T154-M311 HydrophobicContact CG2-CE 4.3Å; T154-M311 HydrophobicContact CG2-SD 3.86Å; T154-I315 HydrophobicContact CG2-CG2 4.45Å
155	S	98.5	Very high	98.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153	173.3	-177.4	0	0	0	0	111.2	Q143 V146 C147 F296	Q143-S155 WeakPolarHBondContact CG-O 3.45Å; Q143-S155 PolarHBondContact NE2-O 3.34Å; V146-S155 WeakPolarHBondContact CB-OG 3.34Å; V146-S155 VanDerWaalsContact CG1-OG 3.3Å; V146-S155 WeakPolarHBondContact CG1-OG 3.35Å; C147-S155 PolarHBondContact SG-N 3.44Å; S155-F296 WeakPolarHBondContact CA-O 3.32Å; S155-F296 PolarHBondContact OG-O 2.95Å
156	N	98.3	Very high	98.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.			trans	-86.3	171.6	172.6	77.9	-4	0	0	0	112.1	Q143 S158 L159 F296 M311 P312 R314 I315	Q143-N156 WeakPolarHBondContact CG-O 3.41Å; N156-S158 PolarHBondContact ND2-O 2.77Å; N156-S158 PolarHBondContact O-N 3.12Å; N156-S158 VanDerWaalsContact O-N 3.14Å; N156-S158 PolarHBondContact OD1-N 2.88Å; N156-S158 VanDerWaalsContact OD1-N 3.16Å; N156-L159 WeakPolarHBondContact ND2-CD2 3.37Å; N156-L159 WeakPolarHBondContact ND2-CG 3.26Å; N156-F296 PolarHBondContact N-O 3.42Å; N156-F296 PolarHBondContact OD1-N 3.14Å; N156-M311 HydrophobicContact CB-CE 3.84Å; N156-M311 VanDerWaalsContact N-CE 3.33Å; N156-P312 PolarHBondContact ND2-O 3.49Å; N156-R314 WeakPolarHBondContact CB-O 3.42Å; N156-I315 HydrophobicContact CB-CG1 4.21Å
157	A	98.6	Very high	98.4	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.025	18%	0.175	C	C	.	.	S	Bend	trans	-85.6	37.8	178.5	0	0	0	0	0	112.6	L139 R314 V316	L139-A157 HydrophobicContact CB-CB 4.38Å; L139-A157 HydrophobicContact CD1-CB 4.36Å; L139-A157 HydrophobicContact CD2-CB 4.23Å; A157-R314 HydrophobicContact CB-CB 4.32Å; A157-R314 WeakPolarHBondContact CB-O 3.35Å; A157-R314 PolarHBondContact N-O 3.23Å; A157-V316 HydrophobicContact CB-CG2 4.4Å
158	S	98.6	Very high	98.4	Very high	33 Å²	33	31.6 Å²	31.6	23%	0.231	18%	0.178	C	C	.	.			trans	91.6	155.9	-177.3	77.3	0	0	0	0	118.6	N156 A294	N156-S158 PolarHBondContact ND2-O 2.77Å; N156-S158 PolarHBondContact O-N 3.12Å; N156-S158 VanDerWaalsContact O-N 3.14Å; N156-S158 PolarHBondContact OD1-N 2.88Å; N156-S158 VanDerWaalsContact OD1-N 3.16Å; S158-A294 CarbonylContact C-O 3.49Å; S158-A294 WeakPolarHBondContact CA-O 3.47Å
159	L	98.8	Very high	98.4	Very high	26 Å²	26	24.6 Å²	24.6	14%	0.136	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-120.1	-178	161.4	-63	-178.4	0	0	0	110.7	N156 A165 E168 A294 F296 P312	N156-L159 WeakPolarHBondContact ND2-CD2 3.37Å; N156-L159 WeakPolarHBondContact ND2-CG 3.26Å; L159-A165 HydrophobicContact CB-CB 4.42Å; L159-A165 HydrophobicContact CD1-CB 3.69Å; L159-E168 HydrophobicContact CD1-CB 4.28Å; L159-E168 HydrophobicContact CD1-CG 4.11Å; L159-A294 HydrophobicContact CB-CB 4.08Å; L159-A294 PolarHBondContact N-O 3.02Å; L159-A294 PolarHBondContact O-N 3Å; L159-A294 VanDerWaalsContact O-N 3.13Å; L159-F296 HydrophobicContact CD1-CB 3.82Å; L159-F296 HydrophobicContact CD1-CD2 3.64Å; L159-F296 HydrophobicContact CD1-CG 4.06Å; L159-F296 HydrophobicContact CG-CB 4.24Å; L159-P312 HydrophobicContact CD1-CG 3.87Å; L159-P312 HydrophobicContact CD2-CB 4.03Å; L159-P312 HydrophobicContact CD2-CG 4.01Å; L159-P312 HydrophobicContact CG-CG 4.49Å
160	L	98.7	Very high	98.5	Very high	143 Å²	143	22.6 Å²	22.6	75%	0.749	14%	0.135	S	C	*	.	S	Bend	trans	-71.5	-50.3	-171.9	-59.8	176.2	0	0	0	113.7
161	D	98.8	Very high	98.4	Very high	69 Å²	69	23.6 Å²	23.6	37%	0.369	14%	0.14	S	C	.	.			trans	-160	171.4	178.8	59.7	38.5	0	0	0	110.1	A163 T164 A165 A294	D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.32Å; D161-A163 PolarHBondContact OD1-N 3.49Å; D161-T164 PolarHBondContact N-OG1 3.48Å; D161-T164 PolarHBondContact O-OG1 2.62Å; D161-T164 VanDerWaalsContact OD1-CB 3.26Å; D161-T164 WeakPolarHBondContact OD1-CB 3.13Å; D161-T164 VanDerWaalsContact OD1-CG2 3.27Å; D161-T164 WeakPolarHBondContact OD1-CG2 3.42Å; D161-T164 PolarHBondContact OD1-N 3.16Å; D161-T164 PolarHBondContact OD1-OG1 3.15Å; D161-A165 WeakPolarHBondContact O-CB 3.42Å; D161-A165 PolarHBondContact O-N 2.94Å; D161-A294 VanDerWaalsContact O-CB 3.23Å; D161-A294 WeakPolarHBondContact O-CB 3.37Å
162	E	98.9	Very high	98.4	Very high	18 Å²	18	22.1 Å²	22.1	8%	0.084	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-39.6	-178	177	173.3	142.5	0	0	112.7	A165 C166 H189 N192 Q227 S278	E162-A165 WeakPolarHBondContact O-CB 3.44Å; E162-A165 PolarHBondContact O-N 3.46Å; E162-C166 PolarHBondContact O-N 3.47Å; E162-C166 PolarHBondContact O-SG 2.93Å; E162-H189 IonicContact OE1-CD2 3.87Å; E162-H189 PolarHBondContact OE1-CD2 3.36Å; E162-N192 PolarHBondContact OE1-ND2 3.27Å; E162-Q227 PolarHBondContact OE1-NE2 3.14Å; E162-S278 PolarHBondContact OE2-N 2.87Å
163	A	98.8	Very high	98.4	Very high	7 Å²	7	21.4 Å²	21.4	6%	0.058	12%	0.124	C	C	.	.	H	α-helix	trans	-68	-41.8	-175.5	0	0	0	0	0	111.6	D161 A167 N192 V195	D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.32Å; D161-A163 PolarHBondContact OD1-N 3.49Å; A163-A167 WeakPolarHBondContact O-CB 3.48Å; A163-A167 PolarHBondContact O-N 3.46Å; A163-A167 VanDerWaalsContact O-N 3.14Å; A163-N192 WeakPolarHBondContact CA-OD1 3.41Å; A163-N192 WeakPolarHBondContact CB-OD1 3.32Å; A163-V195 HydrophobicContact CB-CB 3.89Å; A163-V195 HydrophobicContact CB-CG1 4.33Å; A163-V195 HydrophobicContact CB-CG2 3.69Å
164	T	98.8	Very high	98.5	Very high	28 Å²	28	21.7 Å²	21.7	17%	0.172	12%	0.117	C	C	.	.	H	α-helix	trans	-69.1	-36.6	173.1	55.7	0	0	0	0	111.4	D161 A167 E168 V195	D161-T164 PolarHBondContact N-OG1 3.48Å; D161-T164 PolarHBondContact O-OG1 2.62Å; D161-T164 VanDerWaalsContact OD1-CB 3.26Å; D161-T164 WeakPolarHBondContact OD1-CB 3.13Å; D161-T164 VanDerWaalsContact OD1-CG2 3.27Å; D161-T164 WeakPolarHBondContact OD1-CG2 3.42Å; D161-T164 PolarHBondContact OD1-N 3.16Å; D161-T164 PolarHBondContact OD1-OG1 3.15Å; T164-A167 PolarHBondContact O-N 3.14Å; T164-E168 WeakPolarHBondContact O-CG 3.49Å; T164-E168 PolarHBondContact O-N 2.88Å; T164-V195 HydrophobicContact CG2-CG1 4.34Å
165	A	98.9	Very high	98.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-43.4	173.3	0	0	0	0	0	112.7	L159 D161 E162 A167 E168 A169 V276 A294	L159-A165 HydrophobicContact CB-CB 4.42Å; L159-A165 HydrophobicContact CD1-CB 3.69Å; D161-A165 WeakPolarHBondContact O-CB 3.42Å; D161-A165 PolarHBondContact O-N 2.94Å; E162-A165 WeakPolarHBondContact O-CB 3.44Å; E162-A165 PolarHBondContact O-N 3.46Å; A165-A167 VanDerWaalsContact C-N 3.27Å; A165-A167 PolarHBondContact O-N 3.03Å; A165-E168 PolarHBondContact O-N 3.34Å; A165-A169 PolarHBondContact O-N 3.45Å; A165-V276 HydrophobicContact CB-CB 4.06Å; A165-V276 HydrophobicContact CB-CG1 4.31Å; A165-A294 HydrophobicContact CB-CB 4.12Å
166	C	98.9	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.6	-43.9	171.8	-71.1	0	0	0	0	111.4	E162 A169 M170 L225	E162-C166 PolarHBondContact O-N 3.47Å; E162-C166 PolarHBondContact O-SG 2.93Å; C166-A169 WeakPolarHBondContact O-CB 3.27Å; C166-A169 PolarHBondContact O-N 3.1Å; C166-M170 PolarHBondContact O-N 3.25Å; C166-L225 HydrophobicContact CB-CD2 3.79Å
167	A	98.8	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-76.2	-29.5	-176.5	0	0	0	0	0	112.7	A163 T164 A165 Q171 V195 R199	A163-A167 WeakPolarHBondContact O-CB 3.48Å; A163-A167 PolarHBondContact O-N 3.46Å; A163-A167 VanDerWaalsContact O-N 3.14Å; T164-A167 PolarHBondContact O-N 3.14Å; A165-A167 VanDerWaalsContact C-N 3.27Å; A165-A167 PolarHBondContact O-N 3.03Å; A167-Q171 WeakPolarHBondContact O-CG 3.26Å; A167-Q171 PolarHBondContact O-N 3.38Å; A167-V195 HydrophobicContact CB-CG1 3.95Å; A167-R199 HydrophobicContact CB-CB 4.22Å; A167-R199 HydrophobicContact CB-CG 4.03Å
168	E	98.8	Very high	98	Very high	42 Å²	42	33.6 Å²	33.6	20%	0.196	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-40.4	165.4	-72	-63.1	160.7	0	0	111.4	L159 T164 A165 M170 Q171 L172 R199 F296 P312	L159-E168 HydrophobicContact CD1-CB 4.28Å; L159-E168 HydrophobicContact CD1-CG 4.11Å; T164-E168 WeakPolarHBondContact O-CG 3.49Å; T164-E168 PolarHBondContact O-N 2.88Å; A165-E168 PolarHBondContact O-N 3.34Å; E168-M170 PolarHBondContact O-N 3.13Å; E168-Q171 PolarHBondContact O-N 2.88Å; E168-Q171 PolarHBondContact OE2-OE1 3.24Å; E168-L172 WeakPolarHBondContact O-CB 3.23Å; E168-L172 PolarHBondContact O-N 3.11Å; E168-R199 VanDerWaalsContact CD-NH2 3.33Å; E168-R199 IonicContact OE1-CZ 2.75Å; E168-R199 IonicContact OE1-NH1 3.55Å; E168-R199 PolarHBondContact OE1-NH1 2.91Å; E168-R199 IonicContact OE1-NH2 3.4Å; E168-R199 PolarHBondContact OE1-NH2 2.87Å; E168-R199 IonicContact OE2-NH2 3.91Å; E168-F296 HydrophobicContact CB-CE2 4.11Å; E168-P312 HydrophobicContact CB-CB 4.28Å; E168-P312 HydrophobicContact CB-CG 3.95Å; E168-P312 HydrophobicContact CG-CB 4.08Å; E168-P312 HydrophobicContact CG-CG 4.19Å
169	A	98.8	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-42.5	178.9	0	0	0	0	0	111.3	A165 C166 Q171 L172 C173 V253 V274 V276 F296	A165-A169 PolarHBondContact O-N 3.45Å; C166-A169 WeakPolarHBondContact O-CB 3.27Å; C166-A169 PolarHBondContact O-N 3.1Å; A169-Q171 VanDerWaalsContact C-N 3.34Å; A169-Q171 PolarHBondContact O-N 2.95Å; A169-L172 PolarHBondContact O-N 3.24Å; A169-C173 PolarHBondContact O-N 2.86Å; A169-C173 PolarHBondContact O-SG 3.14Å; A169-V253 HydrophobicContact CB-CG1 3.56Å; A169-V253 HydrophobicContact CB-CG2 4.31Å; A169-V274 HydrophobicContact CB-CG1 4.06Å; A169-V276 HydrophobicContact CB-CG1 4.17Å; A169-F296 HydrophobicContact CB-CE2 3.7Å; A169-F296 HydrophobicContact CB-CZ 4.11Å
170	M	98.7	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.9	-47	171.8	172.4	-175.9	65.7	0	0	112	C166 E168 C173 E174 F182 C196 R199 A200 I205 L207	C166-M170 PolarHBondContact O-N 3.25Å; E168-M170 PolarHBondContact O-N 3.13Å; M170-C173 PolarHBondContact O-N 3.23Å; M170-E174 PolarHBondContact O-N 3.49Å; M170-F182 HydrophobicContact CB-CD1 3.96Å; M170-F182 HydrophobicContact CB-CD2 4.43Å; M170-F182 HydrophobicContact CB-CE1 3.8Å; M170-F182 HydrophobicContact CB-CE2 4.32Å; M170-F182 HydrophobicContact CB-CG 4.27Å; M170-F182 HydrophobicContact CB-CZ 4.01Å; M170-F182 HydrophobicContact CG-CB 4.04Å; M170-F182 HydrophobicContact CG-CD1 3.6Å; M170-F182 HydrophobicContact CG-CD2 4.07Å; M170-F182 HydrophobicContact CG-CE1 3.99Å; M170-F182 HydrophobicContact CG-CE2 4.45Å; M170-F182 HydrophobicContact CG-CG 3.63Å; M170-F182 HydrophobicContact CG-CZ 4.42Å; M170-F182 HydrophobicContact SD-CD1 4.13Å; M170-F182 HydrophobicContact SD-CG 4.45Å; M170-C196 WeakPolarHBondContact CE-O 3.45Å; M170-R199 HydrophobicContact CE-CB 3.93Å; M170-A200 HydrophobicContact CE-CB 3.96Å; M170-A200 HydrophobicContact SD-CB 3.92Å; M170-I205 HydrophobicContact CE-CD1 4.18Å; M170-I205 HydrophobicContact CG-CD1 3.99Å; M170-I205 HydrophobicContact CG-CG2 4.33Å; M170-I205 HydrophobicContact SD-CD1 4.27Å; M170-I205 HydrophobicContact SD-CG2 4.14Å; M170-L207 HydrophobicContact SD-CD1 3.71Å
171	Q	98.3	Very high	97.8	Very high	21 Å²	21	32.7 Å²	32.7	10%	0.098	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-36.9	178.6	-73.1	-176.8	-21.8	0	0	112.8	A167 E168 A169 C173 E174 R175 R199 N203 I205	A167-Q171 WeakPolarHBondContact O-CG 3.26Å; A167-Q171 PolarHBondContact O-N 3.38Å; E168-Q171 PolarHBondContact O-N 2.88Å; E168-Q171 PolarHBondContact OE2-OE1 3.24Å; A169-Q171 VanDerWaalsContact C-N 3.34Å; A169-Q171 PolarHBondContact O-N 2.95Å; Q171-C173 VanDerWaalsContact C-N 3.32Å; Q171-E174 PolarHBondContact O-N 2.8Å; Q171-R175 WeakPolarHBondContact O-CB 3.34Å; Q171-R175 PolarHBondContact O-N 3.05Å; Q171-R199 VanDerWaalsContact NE2-NE 3.15Å; Q171-R199 VanDerWaalsContact OE1-CZ 3.25Å; Q171-N203 PolarHBondContact NE2-ND2 2.76Å; Q171-I205 HydrophobicContact CG-CD1 4.28Å
172	L	97.9	Very high	97.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-46.8	173	179.3	156.9	0	0	0	110	E168 A169 E174 R175 V176 L251 V274 F296 V298 L307 A310	E168-L172 WeakPolarHBondContact O-CB 3.23Å; E168-L172 PolarHBondContact O-N 3.11Å; A169-L172 PolarHBondContact O-N 3.24Å; L172-E174 PolarHBondContact O-N 3.37Å; L172-R175 PolarHBondContact O-N 3.31Å; L172-V176 HydrophobicContact CD2-CG2 4.08Å; L172-V176 HydrophobicContact CG-CG2 4.37Å; L172-V176 WeakPolarHBondContact O-CB 3.37Å; L172-V176 VanDerWaalsContact O-CG2 3.28Å; L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 3.03Å; L172-L251 HydrophobicContact CD2-CD1 3.93Å; L172-V274 HydrophobicContact CD2-CG2 4.19Å; L172-F296 HydrophobicContact CB-CZ 4.49Å; L172-F296 HydrophobicContact CD1-CE1 3.77Å; L172-F296 HydrophobicContact CD1-CZ 3.69Å; L172-V298 HydrophobicContact CD1-CG1 4.47Å; L172-L307 HydrophobicContact CD2-CD2 4.15Å; L172-A310 HydrophobicContact CD1-CB 4.1Å; L172-A310 WeakPolarHBondContact CD1-O 3.35Å; L172-A310 HydrophobicContact CG-CB 3.99Å
173	C	97.9	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60	-46.6	177.9	-64.2	0	0	0	0	111.8	A169 M170 Q171 R175 V176 I177 F182 L251 V253	A169-C173 PolarHBondContact O-N 2.86Å; A169-C173 PolarHBondContact O-SG 3.14Å; M170-C173 PolarHBondContact O-N 3.23Å; Q171-C173 VanDerWaalsContact C-N 3.32Å; C173-R175 PolarHBondContact O-N 3.02Å; C173-V176 PolarHBondContact O-N 3.22Å; C173-I177 WeakPolarHBondContact O-CB 3.34Å; C173-I177 WeakPolarHBondContact O-CG1 3.46Å; C173-I177 PolarHBondContact O-N 3.44Å; C173-F182 HydrophobicContact CB-CD2 4.02Å; C173-F182 HydrophobicContact CB-CE2 3.62Å; C173-L251 HydrophobicContact CB-CD1 4.38Å; C173-V253 WeakPolarHBondContact SG-CG2 3.43Å
174	E	97.1	Very high	97.8	Very high	34 Å²	34	28.3 Å²	28.3	16%	0.159	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-44.2	176.6	-174	-84.8	162.7	0	0	112	M170 Q171 L172 G178 R180 I205	M170-E174 PolarHBondContact O-N 3.49Å; Q171-E174 PolarHBondContact O-N 2.8Å; L172-E174 PolarHBondContact O-N 3.37Å; E174-G178 WeakPolarHBondContact O-CA 3.23Å; E174-G178 PolarHBondContact O-N 3.08Å; E174-R180 IonicContact OE1-CZ 3.12Å; E174-R180 IonicContact OE1-NE 3.72Å; E174-R180 IonicContact OE1-NH1 2.66Å; E174-R180 PolarHBondContact OE1-NH1 3.08Å; E174-R180 IonicContact OE1-NH2 3.66Å; E174-I205 HydrophobicContact CB-CD1 3.98Å; E174-I205 HydrophobicContact CB-CG1 4.43Å; E174-I205 HydrophobicContact CG-CD1 4.21Å; E174-I205 HydrophobicContact CG-CG1 4.14Å
175	R	96.1	Very high	97.8	Very high	153 Å²	153	27.7 Å²	27.7	58%	0.577	14%	0.136	S	C	*	.	H	α-helix	trans	-66.2	-40.2	-179.7	-167.2	-172.9	-50.1	168.1	9.1	113	Q171 L172 C173	Q171-R175 WeakPolarHBondContact O-CB 3.34Å; Q171-R175 PolarHBondContact O-N 3.05Å; L172-R175 PolarHBondContact O-N 3.31Å; C173-R175 PolarHBondContact O-N 3.02Å
176	V	96	Very high	97.8	Very high	39 Å²	39	32.9 Å²	32.9	24%	0.236	16%	0.159	C	C	.	.	H	α-helix	trans	-78.3	-38.3	-176.1	172.4	0	0	0	0	111.8	L172 C173 L251 Y302 L307 A310	L172-V176 HydrophobicContact CD2-CG2 4.08Å; L172-V176 HydrophobicContact CG-CG2 4.37Å; L172-V176 WeakPolarHBondContact O-CB 3.37Å; L172-V176 VanDerWaalsContact O-CG2 3.28Å; L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 3.03Å; C173-V176 PolarHBondContact O-N 3.22Å; V176-L251 HydrophobicContact CB-CD1 4.39Å; V176-L251 HydrophobicContact CG1-CD1 4.31Å; V176-Y302 HydrophobicContact CG1-CE1 3.59Å; V176-L307 HydrophobicContact CG1-CD2 4Å; V176-L307 HydrophobicContact CG2-CD2 4.14Å; V176-A310 HydrophobicContact CG2-CB 3.77Å
177	I	96.1	Very high	97.7	Very high	37 Å²	37	33.5 Å²	33.5	19%	0.19	16%	0.164	C	C	.	.	H	α-helix	trans	-95.1	-28.1	-175.9	-58.1	-54.8	0	0	0	112.6	C173 K179 S222 G249 L251 Y302	C173-I177 WeakPolarHBondContact O-CB 3.34Å; C173-I177 WeakPolarHBondContact O-CG1 3.46Å; C173-I177 PolarHBondContact O-N 3.44Å; I177-K179 VanDerWaalsContact C-N 3.26Å; I177-K179 HydrophobicContact CG2-CB 4.17Å; I177-K179 HydrophobicContact CG2-CD 3.7Å; I177-K179 HydrophobicContact CG2-CG 3.87Å; I177-K179 PolarHBondContact O-N 3.32Å; I177-S222 WeakPolarHBondContact CG1-O 3.4Å; I177-G249 WeakPolarHBondContact CD1-O 3.26Å; I177-L251 HydrophobicContact CD1-CD2 4.28Å; I177-L251 HydrophobicContact CD1-CG 4.14Å; I177-L251 HydrophobicContact CG1-CD1 4.46Å; I177-L251 HydrophobicContact CG1-CG 4.02Å; I177-Y302 HydrophobicContact CD1-CE2 4.33Å; I177-Y302 VanDerWaalsContact CD1-OH 3.28Å; I177-Y302 WeakPolarHBondContact CD1-OH 3.48Å
178	G	95.5	Very high	97.7	Very high	54 Å²	54	33.6 Å²	33.6	56%	0.557	17%	0.165	S	C	*	.			trans	78.4	0.8	-179.5	0	0	0	0	0	115.1	E174	E174-G178 WeakPolarHBondContact O-CA 3.23Å; E174-G178 PolarHBondContact O-N 3.08Å
179	K	96.6	Very high	97.7	Very high	47 Å²	47	31.8 Å²	31.8	20%	0.204	16%	0.156	C	C	.	.			trans	-86.8	139.3	176.8	-67.7	171	-174.9	176.6	0	110.5	I177 K219 V221 S222 N248	I177-K179 VanDerWaalsContact C-N 3.26Å; I177-K179 HydrophobicContact CG2-CB 4.17Å; I177-K179 HydrophobicContact CG2-CD 3.7Å; I177-K179 HydrophobicContact CG2-CG 3.87Å; I177-K179 PolarHBondContact O-N 3.32Å; K179-K219 PolarHBondContact NZ-O 3.09Å; K179-V221 WeakPolarHBondContact CD-O 3.28Å; K179-S222 WeakPolarHBondContact O-CB 3.44Å; K179-S222 PolarHBondContact O-OG 3.26Å; K179-N248 PolarHBondContact NZ-O 3.12Å
180	R	97	Very high	97.7	Very high	122 Å²	122	35.1 Å²	35.1	46%	0.46	18%	0.178	S	C	.	.	S	Bend	trans	-84.5	-11.3	-175.6	-64.4	-68.9	-178.1	-167.9	-12.3	114.9	E174 I205 R206	E174-R180 IonicContact OE1-CZ 3.12Å; E174-R180 IonicContact OE1-NE 3.72Å; E174-R180 IonicContact OE1-NH1 2.66Å; E174-R180 PolarHBondContact OE1-NH1 3.08Å; E174-R180 IonicContact OE1-NH2 3.66Å; R180-I205 CarbonylContact O-C 3.58Å; R180-I205 WeakPolarHBondContact O-CA 3.27Å; R180-I205 WeakPolarHBondContact O-CG2 3.27Å; R180-R206 PolarHBondContact O-N 3.26Å
181	T	98.2	Very high	97.7	Very high	14 Å²	14	38 Å²	38	9%	0.086	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.2	-177.4	-44.1	0	0	0	0	110.1	L183 R206 N220 V221 S222	T181-L183 HydrophobicContact CG2-CD2 4.28Å; T181-R206 WeakPolarHBondContact CA-O 3.36Å; T181-R206 PolarHBondContact OG1-NH2 3.33Å; T181-N220 VanDerWaalsContact CB-O 3.29Å; T181-N220 WeakPolarHBondContact CB-O 3.42Å; T181-N220 PolarHBondContact OG1-O 2.71Å; T181-V221 HydrophobicContact CG2-CG1 4.41Å; T181-V221 CarbonylContact O-C 3.51Å; T181-V221 VanDerWaalsContact O-CA 3.28Å; T181-V221 WeakPolarHBondContact O-CA 3.48Å; T181-S222 PolarHBondContact O-N 3.16Å; T181-S222 PolarHBondContact O-OG 3.13Å
182	F	98.6	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140	174.1	-166.2	-96	0	0	0	109.4	M170 C173 I184 I205 R206 L207 K208 G223 L225 V253	M170-F182 HydrophobicContact CB-CD1 3.96Å; M170-F182 HydrophobicContact CB-CD2 4.43Å; M170-F182 HydrophobicContact CB-CE1 3.8Å; M170-F182 HydrophobicContact CB-CE2 4.32Å; M170-F182 HydrophobicContact CB-CG 4.27Å; M170-F182 HydrophobicContact CB-CZ 4.01Å; M170-F182 HydrophobicContact CG-CB 4.04Å; M170-F182 HydrophobicContact CG-CD1 3.6Å; M170-F182 HydrophobicContact CG-CD2 4.07Å; M170-F182 HydrophobicContact CG-CE1 3.99Å; M170-F182 HydrophobicContact CG-CE2 4.45Å; M170-F182 HydrophobicContact CG-CG 3.63Å; M170-F182 HydrophobicContact CG-CZ 4.42Å; M170-F182 HydrophobicContact SD-CD1 4.13Å; M170-F182 HydrophobicContact SD-CG 4.45Å; C173-F182 HydrophobicContact CB-CD2 4.02Å; C173-F182 HydrophobicContact CB-CE2 3.62Å; F182-I184 HydrophobicContact CD1-CG2 3.75Å; F182-I184 HydrophobicContact CE1-CG2 3.69Å; F182-I205 HydrophobicContact CB-CG2 3.81Å; F182-R206 PolarHBondContact N-O 3.48Å; F182-L207 HydrophobicContact CB-CD1 4.19Å; F182-L207 HydrophobicContact CD1-CD1 3.78Å; F182-L207 HydrophobicContact CG-CD1 4.48Å; F182-L207 WeakPolarHBondContact O-CA 3.45Å; F182-K208 PolarHBondContact O-N 2.87Å; F182-G223 VanDerWaalsContact CD2-O 3.28Å; F182-G223 WeakPolarHBondContact CD2-O 3.33Å; F182-L225 HydrophobicContact CE1-CB 3.66Å; F182-L225 HydrophobicContact CZ-CB 3.87Å; F182-V253 HydrophobicContact CZ-CG2 4.27Å
183	L	98.7	Very high	97.8	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.8	-178	-55	-175.8	0	0	0	110.3	T181 K208 V210 W213 Y216 L218 V221 G223 V224 L225	T181-L183 HydrophobicContact CG2-CD2 4.28Å; L183-K208 WeakPolarHBondContact CA-O 3.47Å; L183-K208 HydrophobicContact CD2-CB 3.71Å; L183-K208 HydrophobicContact CD2-CD 4.07Å; L183-K208 HydrophobicContact CD2-CG 4.22Å; L183-V210 HydrophobicContact CB-CG2 3.78Å; L183-V210 HydrophobicContact CD1-CG2 4.15Å; L183-V210 HydrophobicContact CD2-CG2 4.29Å; L183-V210 HydrophobicContact CG-CG2 4.29Å; L183-W213 HydrophobicContact CB-CH2 4.18Å; L183-W213 HydrophobicContact CB-CZ3 4.06Å; L183-W213 HydrophobicContact CD1-CZ3 4.09Å; L183-Y216 HydrophobicContact CD1-CD1 4.34Å; L183-Y216 HydrophobicContact CD2-CD1 4.1Å; L183-L218 HydrophobicContact CD1-CD2 3.78Å; L183-V221 HydrophobicContact CD1-CG1 3.78Å; L183-V221 HydrophobicContact CD2-CG1 4.39Å; L183-V221 HydrophobicContact CG-CB 4.49Å; L183-V221 HydrophobicContact CG-CG1 3.81Å; L183-G223 PolarHBondContact N-O 3.15Å; L183-G223 VanDerWaalsContact N-O 3.17Å; L183-V224 HydrophobicContact CB-CB 4.44Å; L183-V224 HydrophobicContact CB-CG1 4.09Å; L183-V224 HydrophobicContact CD1-CG1 4.33Å; L183-V224 CarbonylContact O-C 3.54Å; L183-V224 VanDerWaalsContact O-CA 3.23Å; L183-V224 WeakPolarHBondContact O-CA 3.43Å; L183-L225 PolarHBondContact O-N 3.28Å
184	I	98.5	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.9	175.7	62.8	176	0	0	0	109.8	F182 L188 I193 C196 L207 K208 I209 V210 L225	F182-I184 HydrophobicContact CD1-CG2 3.75Å; F182-I184 HydrophobicContact CE1-CG2 3.69Å; I184-L188 HydrophobicContact CB-CD1 4.36Å; I184-I193 HydrophobicContact CD1-CB 4.27Å; I184-I193 HydrophobicContact CD1-CG1 4.19Å; I184-I193 HydrophobicContact CD1-CG2 3.88Å; I184-C196 HydrophobicContact CD1-CB 4.47Å; I184-L207 HydrophobicContact CD1-CD1 4.22Å; I184-L207 HydrophobicContact CD1-CD2 3.87Å; I184-L207 HydrophobicContact CD1-CG 4.12Å; I184-L207 HydrophobicContact CG1-CD1 4.26Å; I184-L207 HydrophobicContact CG1-CG 4.38Å; I184-L207 HydrophobicContact CG2-CD1 3.6Å; I184-K208 PolarHBondContact N-O 2.71Å; I184-I209 HydrophobicContact CD1-CG1 3.96Å; I184-I209 HydrophobicContact CG1-CB 4.45Å; I184-I209 HydrophobicContact CG1-CG1 3.93Å; I184-I209 CarbonylContact O-C 3.51Å; I184-I209 WeakPolarHBondContact O-CA 3.29Å; I184-V210 PolarHBondContact O-N 3.3Å; I184-L225 WeakPolarHBondContact CA-O 3.43Å; I184-L225 HydrophobicContact CG2-CB 4.05Å; I184-L225 HydrophobicContact CG2-CD2 4.21Å
185	D	98.3	Very high	97.9	Very high	16 Å²	16	40.7 Å²	40.7	9%	0.086	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.8	175.3	-156.7	-56.3	0	0	0	110.9	A187 L188 W213 L225 I226	D185-A187 PolarHBondContact O-N 3.08Å; D185-A187 WeakPolarHBondContact OD1-CB 3.3Å; D185-A187 PolarHBondContact OD1-N 3.08Å; D185-L188 HydrophobicContact CB-CD1 3.75Å; D185-L188 WeakPolarHBondContact O-CD1 3.33Å; D185-L188 PolarHBondContact O-N 3.49Å; D185-W213 HydrophobicContact CB-CZ2 3.93Å; D185-W213 PolarHBondContact OD2-NE1 3.32Å; D185-L225 PolarHBondContact N-O 3.07Å; D185-I226 HydrophobicContact CB-CB 4.5Å; D185-I226 HydrophobicContact CB-CG2 4.24Å
186	K	98.1	Very high	98	Very high	108 Å²	108	33.4 Å²	33.4	47%	0.47	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23	171.3	68.6	170.3	172.3	-159.1	0	112.8	L188 I209 V210 E211	K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 3.44Å; K186-I209 HydrophobicContact CB-CG2 3.85Å; K186-V210 WeakPolarHBondContact CB-O 3.08Å; K186-V210 PolarHBondContact N-O 3.11Å; K186-E211 HydrophobicContact CD-CB 3.89Å; K186-E211 HydrophobicContact CD-CG 3.95Å; K186-E211 VanDerWaalsContact CE-O 3.32Å; K186-E211 WeakPolarHBondContact CE-O 3.34Å; K186-E211 PolarHBondContact NZ-O 2.87Å
187	A	98.1	Very high	98.1	Very high	14 Å²	14	36 Å²	36	12%	0.116	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	10.6	-176	0	0	0	0	0	113.7	D185 D230 T231	D185-A187 PolarHBondContact O-N 3.08Å; D185-A187 WeakPolarHBondContact OD1-CB 3.3Å; D185-A187 PolarHBondContact OD1-N 3.08Å; A187-D230 HydrophobicContact CB-CB 3.8Å; A187-T231 VanDerWaalsContact O-CB 3.27Å; A187-T231 WeakPolarHBondContact O-CB 3.42Å; A187-T231 VanDerWaalsContact O-CG2 3.28Å; A187-T231 WeakPolarHBondContact O-CG2 3.38Å; A187-T231 PolarHBondContact O-N 3.27Å
188	L	98.6	Very high	98.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	21%	0.211	C	C	.	.	S	Bend	trans	-64.7	160.2	163.6	-89	93.7	0	0	0	111.8	I184 D185 K186 N192 I193 L225 Q227	I184-L188 HydrophobicContact CB-CD1 4.36Å; D185-L188 HydrophobicContact CB-CD1 3.75Å; D185-L188 WeakPolarHBondContact O-CD1 3.33Å; D185-L188 PolarHBondContact O-N 3.49Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 3.44Å; L188-N192 HydrophobicContact CD2-CB 3.86Å; L188-I193 HydrophobicContact CB-CD1 4.05Å; L188-I193 HydrophobicContact CB-CG1 3.68Å; L188-L225 HydrophobicContact CD1-CG 4.22Å; L188-L225 WeakPolarHBondContact CD1-O 3.1Å; L188-L225 HydrophobicContact CD2-CD1 4.46Å; L188-L225 HydrophobicContact CD2-CD2 3.49Å; L188-L225 VanDerWaalsContact CD2-CD2 3.49Å; L188-L225 HydrophobicContact CD2-CG 3.74Å; L188-Q227 VanDerWaalsContact CA-OE1 3.29Å; L188-Q227 HydrophobicContact CG-CB 4.16Å
189	H	98.7	Very high	98.4	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.019	20%	0.196	C	C	.	.			trans	-58.4	136.7	166.6	-63.5	-32.5	0	0	0	111.1	G100 E162 Q191 N192 I193 Q227 T231	G100-H189 WeakPolarHBondContact CA-NE2 3.41Å; G100-H189 PolarHBondContact N-NE2 3.31Å; E162-H189 IonicContact OE1-CD2 3.87Å; E162-H189 PolarHBondContact OE1-CD2 3.36Å; H189-Q191 VanDerWaalsContact C-N 3.25Å; H189-Q191 PolarHBondContact O-N 3.4Å; H189-Q191 VanDerWaalsContact O-N 3.14Å; H189-N192 HydrophobicContact CB-CB 4.49Å; H189-N192 WeakPolarHBondContact O-CB 3.2Å; H189-N192 PolarHBondContact O-N 2.88Å; H189-I193 PolarHBondContact O-N 2.84Å; H189-Q227 PolarHBondContact CD2-NE2 3.47Å; H189-Q227 PolarHBondContact NE2-NE2 2.7Å; H189-T231 WeakPolarHBondContact ND1-CB 3.42Å; H189-T231 PolarHBondContact ND1-OG1 3.01Å
190	P	98.6	Very high	98.5	Very high	71 Å²	71	36.2 Å²	36.2	46%	0.461	19%	0.187	S	C	.	.	H	α-helix	trans	-55.4	-36.6	-175.3	-28.3	35.2	0	0	0	114.2	M99 I193 A194	M99-P190 HydrophobicContact CE-CG 3.76Å; P190-I193 PolarHBondContact O-N 2.93Å; P190-A194 WeakPolarHBondContact O-CB 3.49Å; P190-A194 PolarHBondContact O-N 3.32Å
191	Q	98.7	Very high	98.5	Very high	60 Å²	60	39.9 Å²	39.9	28%	0.28	20%	0.2	S	C	.	.	H	α-helix	trans	-68.4	-32.3	176.8	68.5	-81	7.7	0	0	113	M99 H189 A194 V195	M99-Q191 PolarHBondContact O-NE2 3.34Å; H189-Q191 VanDerWaalsContact C-N 3.25Å; H189-Q191 PolarHBondContact O-N 3.4Å; H189-Q191 VanDerWaalsContact O-N 3.14Å; Q191-A194 PolarHBondContact O-N 2.97Å; Q191-V195 WeakPolarHBondContact O-CG2 3.19Å; Q191-V195 PolarHBondContact O-N 3.41Å
192	N	98.8	Very high	98.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-43.9	175.3	-62.7	-7.5	0	0	0	109.9	E162 A163 L188 H189 C196 Q227	E162-N192 PolarHBondContact OE1-ND2 3.27Å; A163-N192 WeakPolarHBondContact CA-OD1 3.41Å; A163-N192 WeakPolarHBondContact CB-OD1 3.32Å; L188-N192 HydrophobicContact CD2-CB 3.86Å; H189-N192 HydrophobicContact CB-CB 4.49Å; H189-N192 WeakPolarHBondContact O-CB 3.2Å; H189-N192 PolarHBondContact O-N 2.88Å; N192-C196 WeakPolarHBondContact O-CB 3.3Å; N192-C196 PolarHBondContact O-N 2.9Å; N192-C196 PolarHBondContact O-SG 2.95Å; N192-Q227 PolarHBondContact ND2-OE1 2.93Å
193	I	98.8	Very high	98.4	Very high	22 Å²	22	51.1 Å²	51.1	11%	0.113	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-49.7	174.4	-61.4	177.1	0	0	0	110.2	I184 L188 H189 P190 V195 C196 Q197 I209	I184-I193 HydrophobicContact CD1-CB 4.27Å; I184-I193 HydrophobicContact CD1-CG1 4.19Å; I184-I193 HydrophobicContact CD1-CG2 3.88Å; L188-I193 HydrophobicContact CB-CD1 4.05Å; L188-I193 HydrophobicContact CB-CG1 3.68Å; H189-I193 PolarHBondContact O-N 2.84Å; P190-I193 PolarHBondContact O-N 2.93Å; I193-V195 PolarHBondContact O-N 2.96Å; I193-C196 PolarHBondContact O-N 3.37Å; I193-Q197 HydrophobicContact CG2-CG 4.36Å; I193-Q197 WeakPolarHBondContact O-CB 3.35Å; I193-Q197 WeakPolarHBondContact O-CG 3.41Å; I193-Q197 PolarHBondContact O-N 3.1Å; I193-I209 HydrophobicContact CG2-CD1 3.73Å; I193-I209 HydrophobicContact CG2-CG1 4.28Å
194	A	98.7	Very high	98.2	Very high	45 Å²	45	53.4 Å²	53.4	37%	0.372	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-42.3	-177.4	0	0	0	0	0	113.2	P190 Q191 T198	P190-A194 WeakPolarHBondContact O-CB 3.49Å; P190-A194 PolarHBondContact O-N 3.32Å; Q191-A194 PolarHBondContact O-N 2.97Å; A194-T198 WeakPolarHBondContact O-CB 3.29Å; A194-T198 PolarHBondContact O-N 3.08Å; A194-T198 PolarHBondContact O-OG1 3.09Å
195	V	98.8	Very high	98.2	Very high	44 Å²	44	53.8 Å²	53.8	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-69.6	-40.4	176.9	174.8	0	0	0	0	111.1	A163 T164 A167 Q191 I193 T198 R199	A163-V195 HydrophobicContact CB-CB 3.89Å; A163-V195 HydrophobicContact CB-CG1 4.33Å; A163-V195 HydrophobicContact CB-CG2 3.69Å; T164-V195 HydrophobicContact CG2-CG1 4.34Å; A167-V195 HydrophobicContact CB-CG1 3.95Å; Q191-V195 WeakPolarHBondContact O-CG2 3.19Å; Q191-V195 PolarHBondContact O-N 3.41Å; I193-V195 PolarHBondContact O-N 2.96Å; V195-T198 PolarHBondContact O-N 3.46Å; V195-R199 PolarHBondContact O-N 2.78Å
196	C	98.8	Very high	98.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-46.7	173.6	-70.8	0	0	0	0	111.5	M170 I184 N192 I193 T198 R199 A200 L207	M170-C196 WeakPolarHBondContact CE-O 3.45Å; I184-C196 HydrophobicContact CD1-CB 4.47Å; N192-C196 WeakPolarHBondContact O-CB 3.3Å; N192-C196 PolarHBondContact O-N 2.9Å; N192-C196 PolarHBondContact O-SG 2.95Å; I193-C196 PolarHBondContact O-N 3.37Å; C196-T198 VanDerWaalsContact C-N 3.32Å; C196-T198 PolarHBondContact O-N 2.92Å; C196-R199 PolarHBondContact O-N 3.21Å; C196-A200 WeakPolarHBondContact O-CB 3.34Å; C196-A200 PolarHBondContact O-N 3.45Å; C196-L207 HydrophobicContact CB-CD2 4.01Å
197	Q	98.7	Very high	98.2	Very high	93 Å²	93	56.1 Å²	56.1	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-57.7	-45.1	175.4	-75.6	176.1	-41.8	0	0	111.8	I193 A200 R201 L207	I193-Q197 HydrophobicContact CG2-CG 4.36Å; I193-Q197 WeakPolarHBondContact O-CB 3.35Å; I193-Q197 WeakPolarHBondContact O-CG 3.41Å; I193-Q197 PolarHBondContact O-N 3.1Å; Q197-A200 PolarHBondContact O-N 3.12Å; Q197-R201 WeakPolarHBondContact O-CB 3.18Å; Q197-R201 PolarHBondContact O-N 3.4Å; Q197-L207 HydrophobicContact CB-CD2 4.18Å; Q197-L207 HydrophobicContact CG-CD2 3.65Å
198	T	98.7	Very high	98.2	Very high	79 Å²	79	60.7 Å²	60.7	49%	0.485	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-51.2	178.6	-59.8	0	0	0	0	111.1	A194 V195 C196 A200 R201 Y202	A194-T198 WeakPolarHBondContact O-CB 3.29Å; A194-T198 PolarHBondContact O-N 3.08Å; A194-T198 PolarHBondContact O-OG1 3.09Å; V195-T198 PolarHBondContact O-N 3.46Å; C196-T198 VanDerWaalsContact C-N 3.32Å; C196-T198 PolarHBondContact O-N 2.92Å; T198-A200 PolarHBondContact O-N 3.25Å; T198-R201 PolarHBondContact O-N 3.41Å; T198-Y202 HydrophobicContact CG2-CD2 4.39Å; T198-Y202 HydrophobicContact CG2-CE2 4.15Å; T198-Y202 WeakPolarHBondContact O-CD2 3.3Å
199	R	98.5	Very high	98.2	Very high	62 Å²	62	63.5 Å²	63.5	23%	0.234	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-39.1	177.4	-75.8	-169	93.7	150.2	-2.3	112.2	A167 E168 M170 Q171 V195 C196 R201 Y202 N203	A167-R199 HydrophobicContact CB-CB 4.22Å; A167-R199 HydrophobicContact CB-CG 4.03Å; E168-R199 VanDerWaalsContact CD-NH2 3.33Å; E168-R199 IonicContact OE1-CZ 2.75Å; E168-R199 IonicContact OE1-NH1 3.55Å; E168-R199 PolarHBondContact OE1-NH1 2.91Å; E168-R199 IonicContact OE1-NH2 3.4Å; E168-R199 PolarHBondContact OE1-NH2 2.87Å; E168-R199 IonicContact OE2-NH2 3.91Å; M170-R199 HydrophobicContact CE-CB 3.93Å; Q171-R199 VanDerWaalsContact NE2-NE 3.15Å; Q171-R199 VanDerWaalsContact OE1-CZ 3.25Å; V195-R199 PolarHBondContact O-N 2.78Å; C196-R199 PolarHBondContact O-N 3.21Å; R199-R201 VanDerWaalsContact C-N 3.32Å; R199-R201 PolarHBondContact O-N 3.12Å; R199-Y202 PolarHBondContact O-N 2.95Å; R199-N203 PolarHBondContact O-N 2.8Å; R199-N203 VanDerWaalsContact O-N 3.17Å; R199-N203 PolarHBondContact O-ND2 3.03Å
200	A	98.5	Very high	98.2	Very high	2 Å²	2	63.3 Å²	63.3	2%	0.017	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-43.5	-179.6	0	0	0	0	0	111.5	M170 C196 Q197 T198 Y202 N203 G204 I205 L207	M170-A200 HydrophobicContact CE-CB 3.96Å; M170-A200 HydrophobicContact SD-CB 3.92Å; C196-A200 WeakPolarHBondContact O-CB 3.34Å; C196-A200 PolarHBondContact O-N 3.45Å; Q197-A200 PolarHBondContact O-N 3.12Å; T198-A200 PolarHBondContact O-N 3.25Å; A200-Y202 PolarHBondContact O-N 2.63Å; A200-N203 PolarHBondContact O-N 2.63Å; A200-G204 PolarHBondContact O-N 3.06Å; A200-G204 VanDerWaalsContact O-N 3.11Å; A200-I205 HydrophobicContact CB-CB 4.01Å; A200-I205 HydrophobicContact CB-CG2 4.47Å; A200-I205 PolarHBondContact O-N 3.48Å; A200-L207 HydrophobicContact CB-CB 3.73Å; A200-L207 HydrophobicContact CB-CD2 4.06Å; A200-L207 HydrophobicContact CB-CG 4.43Å
201	R	97.8	Very high	98	Very high	199 Å²	199	66.5 Å²	66.5	75%	0.751	32%	0.321	S	S	*	.	H	α-helix	trans	-54.8	-46.4	178.5	-178.5	177.6	179.3	167.2	0.2	112.7	Q197 T198 R199	Q197-R201 WeakPolarHBondContact O-CB 3.18Å; Q197-R201 PolarHBondContact O-N 3.4Å; T198-R201 PolarHBondContact O-N 3.41Å; R199-R201 VanDerWaalsContact C-N 3.32Å; R199-R201 PolarHBondContact O-N 3.12Å
202	Y	97.2	Very high	97.8	Very high	176 Å²	176	66.7 Å²	66.7	69%	0.69	32%	0.324	S	S	*	.	H	α-helix	trans	-84.9	-14.1	-175.9	-64.6	-69.5	0	0	0	114.1	T198 R199 A200	T198-Y202 HydrophobicContact CG2-CD2 4.39Å; T198-Y202 HydrophobicContact CG2-CE2 4.15Å; T198-Y202 WeakPolarHBondContact O-CD2 3.3Å; R199-Y202 PolarHBondContact O-N 2.95Å; A200-Y202 PolarHBondContact O-N 2.63Å
203	N	95.8	Very high	97.6	Very high	74 Å²	74	68.9 Å²	68.9	40%	0.396	33%	0.332	S	S	.	.	H	α-helix	trans	-103.8	4.9	177.3	-65.1	-67	0	0	0	113.7	Q171 R199 A200 I205	Q171-N203 PolarHBondContact NE2-ND2 2.76Å; R199-N203 PolarHBondContact O-N 2.8Å; R199-N203 VanDerWaalsContact O-N 3.17Å; R199-N203 PolarHBondContact O-ND2 3.03Å; A200-N203 PolarHBondContact O-N 2.63Å; N203-I205 VanDerWaalsContact C-N 3.28Å; N203-I205 HydrophobicContact CB-CD1 4.31Å; N203-I205 HydrophobicContact CB-CG1 4.2Å; N203-I205 PolarHBondContact O-N 3.41Å
204	G	96.3	Very high	97.3	Very high	50 Å²	50	72.6 Å²	72.6	52%	0.515	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	26.6	-179.4	0	0	0	0	0	114	A200	A200-G204 PolarHBondContact O-N 3.06Å; A200-G204 VanDerWaalsContact O-N 3.11Å
205	I	98.2	Very high	96.9	Very high	9 Å²	9	77.5 Å²	77.5	5%	0.046	38%	0.375	C	S	.	.			trans	-87.5	124.8	174.8	-56.2	178.7	0	0	0	108.1	M170 Q171 E174 R180 F182 A200 N203 L207	M170-I205 HydrophobicContact CE-CD1 4.18Å; M170-I205 HydrophobicContact CG-CD1 3.99Å; M170-I205 HydrophobicContact CG-CG2 4.33Å; M170-I205 HydrophobicContact SD-CD1 4.27Å; M170-I205 HydrophobicContact SD-CG2 4.14Å; Q171-I205 HydrophobicContact CG-CD1 4.28Å; E174-I205 HydrophobicContact CB-CD1 3.98Å; E174-I205 HydrophobicContact CB-CG1 4.43Å; E174-I205 HydrophobicContact CG-CD1 4.21Å; E174-I205 HydrophobicContact CG-CG1 4.14Å; R180-I205 CarbonylContact O-C 3.58Å; R180-I205 WeakPolarHBondContact O-CA 3.27Å; R180-I205 WeakPolarHBondContact O-CG2 3.27Å; F182-I205 HydrophobicContact CB-CG2 3.81Å; A200-I205 HydrophobicContact CB-CB 4.01Å; A200-I205 HydrophobicContact CB-CG2 4.47Å; A200-I205 PolarHBondContact O-N 3.48Å; N203-I205 VanDerWaalsContact C-N 3.28Å; N203-I205 HydrophobicContact CB-CD1 4.31Å; N203-I205 HydrophobicContact CB-CG1 4.2Å; N203-I205 PolarHBondContact O-N 3.41Å; I205-L207 PolarHBondContact O-N 3.09Å
206	R	98.1	Very high	96.7	Very high	137 Å²	137	78.8 Å²	78.8	52%	0.517	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	88.6	170.9	-68.1	-169.7	-58.2	-106.1	-3.8	109.4	R180 T181 F182	R180-R206 PolarHBondContact O-N 3.26Å; T181-R206 WeakPolarHBondContact CA-O 3.36Å; T181-R206 PolarHBondContact OG1-NH2 3.33Å; F182-R206 PolarHBondContact N-O 3.48Å
207	L	98.3	Very high	96.3	Very high	36 Å²	36	83.7 Å²	83.7	19%	0.188	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133	174.7	-167.6	67.1	0	0	0	110.7	M170 F182 I184 C196 Q197 A200 I205	M170-L207 HydrophobicContact SD-CD1 3.71Å; F182-L207 HydrophobicContact CB-CD1 4.19Å; F182-L207 HydrophobicContact CD1-CD1 3.78Å; F182-L207 HydrophobicContact CG-CD1 4.48Å; F182-L207 WeakPolarHBondContact O-CA 3.45Å; I184-L207 HydrophobicContact CD1-CD1 4.22Å; I184-L207 HydrophobicContact CD1-CD2 3.87Å; I184-L207 HydrophobicContact CD1-CG 4.12Å; I184-L207 HydrophobicContact CG1-CD1 4.26Å; I184-L207 HydrophobicContact CG1-CG 4.38Å; I184-L207 HydrophobicContact CG2-CD1 3.6Å; C196-L207 HydrophobicContact CB-CD2 4.01Å; Q197-L207 HydrophobicContact CB-CD2 4.18Å; Q197-L207 HydrophobicContact CG-CD2 3.65Å; A200-L207 HydrophobicContact CB-CB 3.73Å; A200-L207 HydrophobicContact CB-CD2 4.06Å; A200-L207 HydrophobicContact CB-CG 4.43Å; I205-L207 PolarHBondContact O-N 3.09Å
208	K	98	Very high	96.2	Very high	109 Å²	109	79.7 Å²	79.7	47%	0.474	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137	170.1	-57.2	-177.6	177.5	-175.9	0	110.2	F182 L183 I184 Y216	F182-K208 PolarHBondContact O-N 2.87Å; L183-K208 WeakPolarHBondContact CA-O 3.47Å; L183-K208 HydrophobicContact CD2-CB 3.71Å; L183-K208 HydrophobicContact CD2-CD 4.07Å; L183-K208 HydrophobicContact CD2-CG 4.22Å; I184-K208 PolarHBondContact N-O 2.71Å; K208-Y216 HydrophobicContact CB-CE1 4.19Å; K208-Y216 HydrophobicContact CD-CD1 4.49Å; K208-Y216 HydrophobicContact CD-CE1 4.2Å
209	I	98.2	Very high	96	Very high	61 Å²	61	82.9 Å²	82.9	31%	0.313	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.4	173.8	-58.9	170.3	0	0	0	107.7	I184 K186 I193 Y216	I184-I209 HydrophobicContact CD1-CG1 3.96Å; I184-I209 HydrophobicContact CG1-CB 4.45Å; I184-I209 HydrophobicContact CG1-CG1 3.93Å; I184-I209 CarbonylContact O-C 3.51Å; I184-I209 WeakPolarHBondContact O-CA 3.29Å; K186-I209 HydrophobicContact CB-CG2 3.85Å; I193-I209 HydrophobicContact CG2-CD1 3.73Å; I193-I209 HydrophobicContact CG2-CG1 4.28Å; I209-Y216 PolarHBondContact O-OH 3.06Å
210	V	97.7	Very high	95.8	Very high	0 Å²	0	84 Å²	84	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122	-175.5	177.1	0	0	0	0	109.4	L183 I184 K186 W213 Y216	L183-V210 HydrophobicContact CB-CG2 3.78Å; L183-V210 HydrophobicContact CD1-CG2 4.15Å; L183-V210 HydrophobicContact CD2-CG2 4.29Å; L183-V210 HydrophobicContact CG-CG2 4.29Å; I184-V210 PolarHBondContact O-N 3.3Å; K186-V210 WeakPolarHBondContact CB-O 3.08Å; K186-V210 PolarHBondContact N-O 3.11Å; V210-W213 HydrophobicContact CB-CD2 4.47Å; V210-W213 HydrophobicContact CB-CE3 4.45Å; V210-W213 HydrophobicContact CB-CH2 4.18Å; V210-W213 HydrophobicContact CB-CZ2 4.21Å; V210-W213 HydrophobicContact CB-CZ3 4.32Å; V210-W213 HydrophobicContact CG1-CD2 3.66Å; V210-W213 HydrophobicContact CG1-CE3 3.83Å; V210-W213 HydrophobicContact CG1-CG 4.01Å; V210-W213 HydrophobicContact CG1-CH2 4.38Å; V210-W213 HydrophobicContact CG1-CZ2 4.25Å; V210-W213 HydrophobicContact CG1-CZ3 4.2Å; V210-W213 HydrophobicContact CG2-CE3 4.36Å; V210-W213 HydrophobicContact CG2-CH2 4.05Å; V210-W213 HydrophobicContact CG2-CZ3 3.95Å; V210-Y216 HydrophobicContact CB-CD2 4.25Å; V210-Y216 HydrophobicContact CB-CE2 4.12Å; V210-Y216 HydrophobicContact CG1-CD2 3.61Å; V210-Y216 HydrophobicContact CG1-CE2 3.77Å; V210-Y216 HydrophobicContact CG1-CG 4.21Å; V210-Y216 HydrophobicContact CG2-CD1 3.82Å; V210-Y216 HydrophobicContact CG2-CD2 4.01Å; V210-Y216 HydrophobicContact CG2-CE1 3.91Å; V210-Y216 HydrophobicContact CG2-CE2 4.1Å; V210-Y216 HydrophobicContact CG2-CG 3.87Å
211	E	95.1	Very high	95.8	Very high	138 Å²	138	84 Å²	84	65%	0.645	40%	0.401	S	S	*	.	S	Bend	trans	-93.6	-29.4	174.5	-57.4	-161.8	-175.4	0	0	113.8	K186	K186-E211 HydrophobicContact CD-CB 3.89Å; K186-E211 HydrophobicContact CD-CG 3.95Å; K186-E211 VanDerWaalsContact CE-O 3.32Å; K186-E211 WeakPolarHBondContact CE-O 3.34Å; K186-E211 PolarHBondContact NZ-O 2.87Å
212	D	94.4	Very high	95.8	Very high	64 Å²	64	74.5 Å²	74.5	34%	0.342	37%	0.365	S	S	.	.			trans	-148.6	112.5	-178.2	173.6	-0.4	0	0	0	107.6	S214 Q215 Y216	D212-S214 PolarHBondContact O-N 3.1Å; D212-S214 WeakPolarHBondContact OD1-CB 3.21Å; D212-S214 PolarHBondContact OD1-N 2.95Å; D212-S214 PolarHBondContact OD1-OG 3.31Å; D212-S214 PolarHBondContact OD2-OG 3.45Å; D212-S214 VanDerWaalsContact OD2-OG 3.04Å; D212-Q215 HydrophobicContact CB-CG 4.22Å; D212-Q215 PolarHBondContact O-N 2.85Å; D212-Q215 PolarHBondContact OD2-NE2 3.38Å; D212-Y216 VanDerWaalsContact O-CD2 3.29Å; D212-Y216 WeakPolarHBondContact O-CD2 3.33Å
213	W	95.1	Very high	95.9	Very high	47 Å²	47	66.1 Å²	66.1	18%	0.178	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-60.5	-25.1	-176.2	-71.2	100.4	0	0	0	113.4	L183 D185 V210 Q215 Y216 V224 I226 L241	L183-W213 HydrophobicContact CB-CH2 4.18Å; L183-W213 HydrophobicContact CB-CZ3 4.06Å; L183-W213 HydrophobicContact CD1-CZ3 4.09Å; D185-W213 HydrophobicContact CB-CZ2 3.93Å; D185-W213 PolarHBondContact OD2-NE1 3.32Å; V210-W213 HydrophobicContact CB-CD2 4.47Å; V210-W213 HydrophobicContact CB-CE3 4.45Å; V210-W213 HydrophobicContact CB-CH2 4.18Å; V210-W213 HydrophobicContact CB-CZ2 4.21Å; V210-W213 HydrophobicContact CB-CZ3 4.32Å; V210-W213 HydrophobicContact CG1-CD2 3.66Å; V210-W213 HydrophobicContact CG1-CE3 3.83Å; V210-W213 HydrophobicContact CG1-CG 4.01Å; V210-W213 HydrophobicContact CG1-CH2 4.38Å; V210-W213 HydrophobicContact CG1-CZ2 4.25Å; V210-W213 HydrophobicContact CG1-CZ3 4.2Å; V210-W213 HydrophobicContact CG2-CE3 4.36Å; V210-W213 HydrophobicContact CG2-CH2 4.05Å; V210-W213 HydrophobicContact CG2-CZ3 3.95Å; W213-Q215 PolarHBondContact O-N 3.42Å; W213-Y216 PolarHBondContact O-N 3.08Å; W213-V224 HydrophobicContact CH2-CB 3.73Å; W213-V224 HydrophobicContact CH2-CG1 4.14Å; W213-V224 HydrophobicContact CH2-CG2 4.36Å; W213-V224 HydrophobicContact CZ3-CB 3.89Å; W213-V224 HydrophobicContact CZ3-CG1 3.76Å; W213-I226 HydrophobicContact CH2-CG2 4.37Å; W213-I226 HydrophobicContact CZ2-CG2 3.61Å; W213-L241 HydrophobicContact CB-CD1 4.45Å; W213-L241 HydrophobicContact CD2-CD1 3.92Å; W213-L241 HydrophobicContact CD2-CD2 3.61Å; W213-L241 HydrophobicContact CD2-CG 4.45Å; W213-L241 HydrophobicContact CE3-CD1 3.67Å; W213-L241 HydrophobicContact CE3-CD2 4Å; W213-L241 HydrophobicContact CG-CD1 4.26Å; W213-L241 HydrophobicContact CG-CD2 4.02Å; W213-L241 HydrophobicContact CH2-CD2 4.45Å; W213-L241 HydrophobicContact CZ2-CD2 4.08Å; W213-L241 HydrophobicContact CZ3-CD1 4.33Å; W213-L241 HydrophobicContact CZ3-CD2 4.4Å
214	S	91.6	Very high	96	Very high	100 Å²	100	62.6 Å²	62.6	70%	0.699	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-67.7	-17.7	179.8	71.9	0	0	0	0	113.8	D212	D212-S214 PolarHBondContact O-N 3.1Å; D212-S214 WeakPolarHBondContact OD1-CB 3.21Å; D212-S214 PolarHBondContact OD1-N 2.95Å; D212-S214 PolarHBondContact OD1-OG 3.31Å; D212-S214 PolarHBondContact OD2-OG 3.45Å; D212-S214 VanDerWaalsContact OD2-OG 3.04Å
215	Q	92	Very high	96.1	Very high	148 Å²	148	60.2 Å²	60.2	69%	0.692	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-95.4	-0.7	-175.7	-58.1	-177.6	20.1	0	0	113.7	D212 W213	D212-Q215 HydrophobicContact CB-CG 4.22Å; D212-Q215 PolarHBondContact O-N 2.85Å; D212-Q215 PolarHBondContact OD2-NE2 3.38Å; W213-Q215 PolarHBondContact O-N 3.42Å
216	Y	92.8	Very high	96.1	Very high	71 Å²	71	59.8 Å²	59.8	28%	0.278	29%	0.287	S	S	.	.	S	Bend	trans	-114.7	136.6	-172.6	-74.7	-100	0	0	0	112.5	L183 K208 I209 V210 D212 W213	L183-Y216 HydrophobicContact CD1-CD1 4.34Å; L183-Y216 HydrophobicContact CD2-CD1 4.1Å; K208-Y216 HydrophobicContact CB-CE1 4.19Å; K208-Y216 HydrophobicContact CD-CD1 4.49Å; K208-Y216 HydrophobicContact CD-CE1 4.2Å; I209-Y216 PolarHBondContact O-OH 3.06Å; V210-Y216 HydrophobicContact CB-CD2 4.25Å; V210-Y216 HydrophobicContact CB-CE2 4.12Å; V210-Y216 HydrophobicContact CG1-CD2 3.61Å; V210-Y216 HydrophobicContact CG1-CE2 3.77Å; V210-Y216 HydrophobicContact CG1-CG 4.21Å; V210-Y216 HydrophobicContact CG2-CD1 3.82Å; V210-Y216 HydrophobicContact CG2-CD2 4.01Å; V210-Y216 HydrophobicContact CG2-CE1 3.91Å; V210-Y216 HydrophobicContact CG2-CE2 4.1Å; V210-Y216 HydrophobicContact CG2-CG 3.87Å; D212-Y216 VanDerWaalsContact O-CD2 3.29Å; D212-Y216 WeakPolarHBondContact O-CD2 3.33Å; W213-Y216 PolarHBondContact O-N 3.08Å
217	D	91.7	Very high	96.2	Very high	102 Å²	102	53.6 Å²	53.6	55%	0.545	26%	0.264	S	S	.	.			trans	-81.2	118.3	174.2	178.7	21.2	0	0	0	111.4	K219	D217-K219 VanDerWaalsContact OD1-CB 3.27Å; D217-K219 WeakPolarHBondContact OD1-CB 3.4Å; D217-K219 VanDerWaalsContact OD1-CG 3.3Å; D217-K219 WeakPolarHBondContact OD1-CG 3.31Å; D217-K219 PolarHBondContact OD1-N 3.49Å
218	L	96	Very high	96.2	Very high	9 Å²	9	52.6 Å²	52.6	5%	0.047	26%	0.257	C	S	.	.			trans	-87.3	-6.9	179	-58.6	179.4	0	0	0	113.5	L183 N220 V221 V224 L241 E244 V245 N248	L183-L218 HydrophobicContact CD1-CD2 3.78Å; L218-N220 VanDerWaalsContact C-N 3.34Å; L218-N220 PolarHBondContact O-N 3.47Å; L218-V221 WeakPolarHBondContact O-CG2 3.36Å; L218-V224 HydrophobicContact CD2-CG1 4.12Å; L218-L241 HydrophobicContact CD1-CD1 4.08Å; L218-E244 HydrophobicContact CD1-CB 3.81Å; L218-V245 HydrophobicContact CD1-CG2 4.04Å; L218-V245 HydrophobicContact CD2-CG2 4.38Å; L218-N248 HydrophobicContact CB-CB 4.32Å; L218-N248 WeakPolarHBondContact O-CB 3.37Å
219	K	94.3	Very high	96.2	Very high	147 Å²	147	48.8 Å²	48.8	64%	0.639	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.9	-175.8	-71.8	171.7	-178.1	177.1	0	113.8	K179 D217 N248	K179-K219 PolarHBondContact NZ-O 3.09Å; D217-K219 VanDerWaalsContact OD1-CB 3.27Å; D217-K219 WeakPolarHBondContact OD1-CB 3.4Å; D217-K219 VanDerWaalsContact OD1-CG 3.3Å; D217-K219 WeakPolarHBondContact OD1-CG 3.31Å; D217-K219 PolarHBondContact OD1-N 3.49Å; K219-N248 WeakPolarHBondContact CG-OD1 2.97Å
220	N	94.8	Very high	96.2	Very high	85 Å²	85	47.1 Å²	47.1	46%	0.455	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	37.8	-173.6	-164.2	22.7	0	0	0	113.9	T181 L218	T181-N220 VanDerWaalsContact CB-O 3.29Å; T181-N220 WeakPolarHBondContact CB-O 3.42Å; T181-N220 PolarHBondContact OG1-O 2.71Å; L218-N220 VanDerWaalsContact C-N 3.34Å; L218-N220 PolarHBondContact O-N 3.47Å
221	V	98	Very high	96.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140.1	176.3	-49.7	0	0	0	0	111	K179 T181 L183 L218 G223 V224	K179-V221 WeakPolarHBondContact CD-O 3.28Å; T181-V221 HydrophobicContact CG2-CG1 4.41Å; T181-V221 CarbonylContact O-C 3.51Å; T181-V221 VanDerWaalsContact O-CA 3.28Å; T181-V221 WeakPolarHBondContact O-CA 3.48Å; L183-V221 HydrophobicContact CD1-CG1 3.78Å; L183-V221 HydrophobicContact CD2-CG1 4.39Å; L183-V221 HydrophobicContact CG-CB 4.49Å; L183-V221 HydrophobicContact CG-CG1 3.81Å; L218-V221 WeakPolarHBondContact O-CG2 3.36Å; V221-G223 VanDerWaalsContact C-N 3.32Å; V221-V224 HydrophobicContact CG2-CG1 4.31Å
222	S	98.1	Very high	96.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-30.7	169.7	45.7	0	0	0	0	111.8	I177 K179 T181 L251	I177-S222 WeakPolarHBondContact CG1-O 3.4Å; K179-S222 WeakPolarHBondContact O-CB 3.44Å; K179-S222 PolarHBondContact O-OG 3.26Å; T181-S222 PolarHBondContact O-N 3.16Å; T181-S222 PolarHBondContact O-OG 3.13Å; S222-L251 PolarHBondContact O-N 3.14Å
223	G	98.5	Very high	96.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	179.9	172.4	0	0	0	0	0	111.8	F182 L183 V221 L251	F182-G223 VanDerWaalsContact CD2-O 3.28Å; F182-G223 WeakPolarHBondContact CD2-O 3.33Å; L183-G223 PolarHBondContact N-O 3.15Å; L183-G223 VanDerWaalsContact N-O 3.17Å; V221-G223 VanDerWaalsContact C-N 3.32Å; G223-L251 CarbonylContact C-O 3.52Å; G223-L251 WeakPolarHBondContact CA-O 3.42Å
224	V	98.6	Very high	96.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.2	175	-48.7	0	0	0	0	109.5	L183 W213 L218 V221 V245 L251 F252 V253	L183-V224 HydrophobicContact CB-CB 4.44Å; L183-V224 HydrophobicContact CB-CG1 4.09Å; L183-V224 HydrophobicContact CD1-CG1 4.33Å; L183-V224 CarbonylContact O-C 3.54Å; L183-V224 VanDerWaalsContact O-CA 3.23Å; L183-V224 WeakPolarHBondContact O-CA 3.43Å; W213-V224 HydrophobicContact CH2-CB 3.73Å; W213-V224 HydrophobicContact CH2-CG1 4.14Å; W213-V224 HydrophobicContact CH2-CG2 4.36Å; W213-V224 HydrophobicContact CZ3-CB 3.89Å; W213-V224 HydrophobicContact CZ3-CG1 3.76Å; L218-V224 HydrophobicContact CD2-CG1 4.12Å; V221-V224 HydrophobicContact CG2-CG1 4.31Å; V224-V245 HydrophobicContact CB-CG2 4.38Å; V224-V245 HydrophobicContact CG1-CG2 3.71Å; V224-V245 HydrophobicContact CG2-CG1 4.4Å; V224-V245 HydrophobicContact CG2-CG2 3.67Å; V224-L251 PolarHBondContact N-O 3.23Å; V224-F252 HydrophobicContact CG2-CD2 3.39Å; V224-F252 HydrophobicContact CG2-CE2 3.86Å; V224-F252 HydrophobicContact CG2-CG 4.48Å; V224-V253 WeakPolarHBondContact O-CA 3.36Å; V224-V253 VanDerWaalsContact O-CB 3.27Å; V224-V253 WeakPolarHBondContact O-CB 3.29Å; V224-V253 PolarHBondContact O-N 3.13Å
225	L	98.8	Very high	96.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.5	174.5	169.3	66	0	0	0	110.1	C166 F182 L183 I184 D185 L188 V253 A255	C166-L225 HydrophobicContact CB-CD2 3.79Å; F182-L225 HydrophobicContact CE1-CB 3.66Å; F182-L225 HydrophobicContact CZ-CB 3.87Å; L183-L225 PolarHBondContact O-N 3.28Å; I184-L225 WeakPolarHBondContact CA-O 3.43Å; I184-L225 HydrophobicContact CG2-CB 4.05Å; I184-L225 HydrophobicContact CG2-CD2 4.21Å; D185-L225 PolarHBondContact N-O 3.07Å; L188-L225 HydrophobicContact CD1-CG 4.22Å; L188-L225 WeakPolarHBondContact CD1-O 3.1Å; L188-L225 HydrophobicContact CD2-CD1 4.46Å; L188-L225 HydrophobicContact CD2-CD2 3.49Å; L188-L225 VanDerWaalsContact CD2-CD2 3.49Å; L188-L225 HydrophobicContact CD2-CG 3.74Å; L225-V253 WeakPolarHBondContact CA-O 3.33Å; L225-V253 HydrophobicContact CB-CB 4.25Å; L225-V253 HydrophobicContact CD1-CB 3.94Å; L225-V253 HydrophobicContact CD1-CG1 3.51Å; L225-A255 HydrophobicContact CD1-CB 4.18Å
226	I	98.7	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	165.6	174.4	63.3	88.4	0	0	0	110.5	D185 W213 F238 L241 F252 V253 V254 A255	D185-I226 HydrophobicContact CB-CB 4.5Å; D185-I226 HydrophobicContact CB-CG2 4.24Å; W213-I226 HydrophobicContact CH2-CG2 4.37Å; W213-I226 HydrophobicContact CZ2-CG2 3.61Å; I226-F238 HydrophobicContact CB-CE1 4.38Å; I226-F238 HydrophobicContact CB-CZ 4.29Å; I226-F238 HydrophobicContact CD1-CD2 3.72Å; I226-F238 HydrophobicContact CD1-CE2 3.77Å; I226-F238 HydrophobicContact CD1-CG 4.27Å; I226-F238 HydrophobicContact CD1-CZ 4.37Å; I226-F238 HydrophobicContact CG1-CD2 4.29Å; I226-F238 HydrophobicContact CG1-CE2 4.4Å; I226-F238 HydrophobicContact CG1-CG 4.38Å; I226-F238 HydrophobicContact CG2-CD1 4.32Å; I226-F238 HydrophobicContact CG2-CE1 4.12Å; I226-L241 HydrophobicContact CG2-CD2 4.03Å; I226-F252 HydrophobicContact CD1-CZ 4.39Å; I226-F252 HydrophobicContact CG1-CE2 4.06Å; I226-F252 HydrophobicContact CG1-CZ 3.7Å; I226-F252 HydrophobicContact CG2-CE2 4.34Å; I226-V253 PolarHBondContact N-O 3.26Å; I226-V254 HydrophobicContact CD1-CB 4.13Å; I226-V254 HydrophobicContact CD1-CG1 3.64Å; I226-V254 HydrophobicContact CD1-CG2 3.85Å; I226-V254 HydrophobicContact CG1-CG2 4.06Å; I226-A255 PolarHBondContact O-N 3.21Å
227	Q	98.7	Very high	97.2	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.5	171.8	-169.1	115.6	22.2	0	0	109.7	E162 L188 H189 N192 P229 A255	E162-Q227 PolarHBondContact OE1-NE2 3.14Å; L188-Q227 VanDerWaalsContact CA-OE1 3.29Å; L188-Q227 HydrophobicContact CG-CB 4.16Å; H189-Q227 PolarHBondContact CD2-NE2 3.47Å; H189-Q227 PolarHBondContact NE2-NE2 2.7Å; N192-Q227 PolarHBondContact ND2-OE1 2.93Å; Q227-P229 CarbonylContact C-O 3.47Å; Q227-P229 WeakPolarHBondContact CG-O 3.32Å; Q227-A255 CarbonylContact C-O 3.51Å; Q227-A255 WeakPolarHBondContact CA-O 3.41Å
228	Y	98.6	Very high	97.4	Very high	14 Å²	14	43.3 Å²	43.3	6%	0.055	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	110.5	-176.3	-178.5	-103.3	0	0	0	112.2	I235 V236 F238 A255 T256 I264 R265 F270	Y228-I235 HydrophobicContact CE2-CB 4.46Å; Y228-I235 HydrophobicContact CE2-CG2 3.58Å; Y228-I235 WeakPolarHBondContact OH-CG2 3.26Å; Y228-V236 WeakPolarHBondContact CE2-O 3.49Å; Y228-F238 HydrophobicContact CD2-CD2 4.28Å; Y228-F238 HydrophobicContact CD2-CE2 4.27Å; Y228-A255 PolarHBondContact N-O 2.84Å; Y228-T256 VanDerWaalsContact O-CA 3.27Å; Y228-T256 WeakPolarHBondContact O-CA 3.31Å; Y228-T256 VanDerWaalsContact O-CB 3.28Å; Y228-T256 WeakPolarHBondContact O-CB 3.26Å; Y228-T256 PolarHBondContact O-OG1 3.42Å; Y228-I264 HydrophobicContact CD1-CD1 3.89Å; Y228-I264 HydrophobicContact CE1-CD1 3.27Å; Y228-I264 HydrophobicContact CE1-CG1 3.65Å; Y228-R265 VanDerWaalsContact CE1-O 3.23Å; Y228-R265 WeakPolarHBondContact CE1-O 3.33Å; Y228-F270 AromaticContact CD1-CE1 3.95Å; Y228-F270 HydrophobicContact CD1-CE1 3.95Å; Y228-F270 AromaticContact CD1-CZ 3.77Å; Y228-F270 HydrophobicContact CD1-CZ 3.77Å; Y228-F270 HydrophobicContact CD2-CZ 4.47Å; Y228-F270 AromaticContact CE1-CE1 3.72Å; Y228-F270 HydrophobicContact CE1-CE1 3.72Å; Y228-F270 HydrophobicContact CE1-CZ 4.01Å; Y228-F270 HydrophobicContact CG-CZ 4.02Å
229	P	98.4	Very high	97.4	Very high	30 Å²	30	43.7 Å²	43.7	20%	0.195	25%	0.249	C	C	.	.	S	Bend	cis	-56.8	155.7	-12	-20.9	33.3	0	0	0	112.1	Q227 S234 I235 A260 I264	Q227-P229 CarbonylContact C-O 3.47Å; Q227-P229 WeakPolarHBondContact CG-O 3.32Å; P229-S234 WeakPolarHBondContact CA-O 3.34Å; P229-I235 HydrophobicContact CB-CG1 4.24Å; P229-I235 HydrophobicContact CG-CG1 4.15Å; P229-A260 HydrophobicContact CG-CB 4.05Å; P229-I264 HydrophobicContact CG-CD1 4.02Å
230	D	98.2	Very high	97.5	Very high	25 Å²	25	43.4 Å²	43.4	13%	0.134	25%	0.25	C	S	.	.			trans	-71.8	174.6	-178.9	81.8	6.8	0	0	0	112.7	A187 N232 G233 S234	A187-D230 HydrophobicContact CB-CB 3.8Å; D230-N232 PolarHBondContact O-N 3.44Å; D230-N232 VanDerWaalsContact OD1-C 3.32Å; D230-N232 WeakPolarHBondContact OD1-CA 2.85Å; D230-N232 WeakPolarHBondContact OD1-CB 3.37Å; D230-N232 PolarHBondContact OD1-N 2.9Å; D230-G233 PolarHBondContact O-N 2.81Å; D230-G233 PolarHBondContact OD1-N 3.19Å; D230-S234 PolarHBondContact N-O 3.49Å; D230-S234 PolarHBondContact OD1-N 3.09Å; D230-S234 PolarHBondContact OD1-OG 3.29Å; D230-S234 VanDerWaalsContact OD2-CB 3.3Å; D230-S234 WeakPolarHBondContact OD2-CB 3.46Å; D230-S234 PolarHBondContact OD2-OG 3.5Å
231	T	98.4	Very high	97.6	Very high	35 Å²	35	40.1 Å²	40.1	22%	0.215	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18	-178.8	-165	0	0	0	0	114.6	A187 H189	A187-T231 VanDerWaalsContact O-CB 3.27Å; A187-T231 WeakPolarHBondContact O-CB 3.42Å; A187-T231 VanDerWaalsContact O-CG2 3.28Å; A187-T231 WeakPolarHBondContact O-CG2 3.38Å; A187-T231 PolarHBondContact O-N 3.27Å; H189-T231 WeakPolarHBondContact ND1-CB 3.42Å; H189-T231 PolarHBondContact ND1-OG1 3.01Å
232	N	97.5	Very high	97.6	Very high	132 Å²	132	40.1 Å²	40.1	71%	0.706	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	0.1	177.3	-59.7	-53.3	0	0	0	112.1	D230	D230-N232 PolarHBondContact O-N 3.44Å; D230-N232 VanDerWaalsContact OD1-C 3.32Å; D230-N232 WeakPolarHBondContact OD1-CA 2.85Å; D230-N232 WeakPolarHBondContact OD1-CB 3.37Å; D230-N232 PolarHBondContact OD1-N 2.9Å
233	G	97.3	Very high	97.5	Very high	53 Å²	53	43.2 Å²	43.2	55%	0.546	26%	0.255	S	S	.	.			trans	90.3	9.9	178.8	0	0	0	0	0	114.9	D230	D230-G233 PolarHBondContact O-N 2.81Å; D230-G233 PolarHBondContact OD1-N 3.19Å
234	S	97.6	Very high	97.5	Very high	54 Å²	54	46.2 Å²	46.2	38%	0.378	27%	0.269	S	S	.	.			trans	-76.8	140.4	-178.5	-47.2	0	0	0	0	111.7	P229 D230	P229-S234 WeakPolarHBondContact CA-O 3.34Å; D230-S234 PolarHBondContact N-O 3.49Å; D230-S234 PolarHBondContact OD1-N 3.09Å; D230-S234 PolarHBondContact OD1-OG 3.29Å; D230-S234 VanDerWaalsContact OD2-CB 3.3Å; D230-S234 WeakPolarHBondContact OD2-CB 3.46Å; D230-S234 PolarHBondContact OD2-OG 3.5Å
235	I	97.7	Very high	97.4	Very high	103 Å²	103	46.2 Å²	46.2	53%	0.528	27%	0.269	S	S	.	.			trans	-109.3	110.2	173.3	-60.9	168.5	0	0	0	106.9	Y228 P229 I264	Y228-I235 HydrophobicContact CE2-CB 4.46Å; Y228-I235 HydrophobicContact CE2-CG2 3.58Å; Y228-I235 WeakPolarHBondContact OH-CG2 3.26Å; P229-I235 HydrophobicContact CB-CG1 4.24Å; P229-I235 HydrophobicContact CG-CG1 4.15Å; I235-I264 HydrophobicContact CD1-CG2 3.95Å
236	V	95.3	Very high	97.3	Very high	70 Å²	70	49.9 Å²	49.9	42%	0.424	29%	0.286	S	S	.	.			trans	-117.3	144	-175.5	180	0	0	0	0	109.4	Y228 F238	Y228-V236 WeakPolarHBondContact CE2-O 3.49Å; V236-F238 HydrophobicContact CB-CD2 4.34Å; V236-F238 HydrophobicContact CB-CE1 4.49Å; V236-F238 HydrophobicContact CB-CE2 3.77Å; V236-F238 HydrophobicContact CB-CZ 3.86Å; V236-F238 HydrophobicContact CG1-CE1 4.21Å; V236-F238 HydrophobicContact CG1-CE2 4.29Å; V236-F238 HydrophobicContact CG1-CZ 4.08Å; V236-F238 WeakPolarHBondContact O-CD2 3.47Å; V236-F238 PolarHBondContact O-N 3.33Å
237	D	95.6	Very high	97.2	Very high	124 Å²	124	59 Å²	59	66%	0.663	32%	0.32	S	S	*	.			trans	-80.6	109.8	172.5	-174.2	0.8	0	0	0	110.5	G239	D237-G239 PolarHBondContact OD1-N 3.11Å
238	F	96.1	Very high	97.1	Very high	19 Å²	19	61 Å²	61	8%	0.083	33%	0.331	C	S	.	.			trans	-98.4	9.2	178	-66	-75.6	0	0	0	113.7	I226 Y228 V236 Q240 L241 A242 F252 F270	I226-F238 HydrophobicContact CB-CE1 4.38Å; I226-F238 HydrophobicContact CB-CZ 4.29Å; I226-F238 HydrophobicContact CD1-CD2 3.72Å; I226-F238 HydrophobicContact CD1-CE2 3.77Å; I226-F238 HydrophobicContact CD1-CG 4.27Å; I226-F238 HydrophobicContact CD1-CZ 4.37Å; I226-F238 HydrophobicContact CG1-CD2 4.29Å; I226-F238 HydrophobicContact CG1-CE2 4.4Å; I226-F238 HydrophobicContact CG1-CG 4.38Å; I226-F238 HydrophobicContact CG2-CD1 4.32Å; I226-F238 HydrophobicContact CG2-CE1 4.12Å; Y228-F238 HydrophobicContact CD2-CD2 4.28Å; Y228-F238 HydrophobicContact CD2-CE2 4.27Å; V236-F238 HydrophobicContact CB-CD2 4.34Å; V236-F238 HydrophobicContact CB-CE1 4.49Å; V236-F238 HydrophobicContact CB-CE2 3.77Å; V236-F238 HydrophobicContact CB-CZ 3.86Å; V236-F238 HydrophobicContact CG1-CE1 4.21Å; V236-F238 HydrophobicContact CG1-CE2 4.29Å; V236-F238 HydrophobicContact CG1-CZ 4.08Å; V236-F238 WeakPolarHBondContact O-CD2 3.47Å; V236-F238 PolarHBondContact O-N 3.33Å; F238-Q240 VanDerWaalsContact C-N 3.28Å; F238-Q240 PolarHBondContact O-N 3.02Å; F238-L241 HydrophobicContact CD1-CD2 3.87Å; F238-L241 HydrophobicContact CE1-CD2 4.46Å; F238-L241 PolarHBondContact O-N 3.38Å; F238-L241 VanDerWaalsContact O-N 3.1Å; F238-A242 PolarHBondContact O-N 3.06Å; F238-F252 HydrophobicContact CB-CE1 4.43Å; F238-F252 HydrophobicContact CB-CE2 4.5Å; F238-F252 HydrophobicContact CB-CZ 3.68Å; F238-F252 HydrophobicContact CG-CZ 4.38Å; F238-F270 HydrophobicContact CB-CE2 4.44Å
239	G	95.9	Very high	97	Very high	17 Å²	17	62.1 Å²	62.1	18%	0.175	35%	0.347	C	S	.	.	H	α-helix	trans	-59.6	-36.1	-176.5	0	0	0	0	0	113.8	D237 S243	D237-G239 PolarHBondContact OD1-N 3.11Å; G239-S243 PolarHBondContact O-N 3.35Å; G239-S243 VanDerWaalsContact O-N 3.16Å; G239-S243 PolarHBondContact O-OG 3.28Å
240	Q	96.4	Very high	96.9	Very high	141 Å²	141	60.8 Å²	60.8	66%	0.659	34%	0.339	S	S	*	.	H	α-helix	trans	-66.6	-46.4	173.9	-177.2	176.7	-11.8	0	0	111.4	F238 A242 S243 E244	F238-Q240 VanDerWaalsContact C-N 3.28Å; F238-Q240 PolarHBondContact O-N 3.02Å; Q240-A242 PolarHBondContact O-N 3.08Å; Q240-S243 WeakPolarHBondContact O-CB 3.45Å; Q240-S243 PolarHBondContact O-N 3.13Å; Q240-E244 PolarHBondContact NE2-OE1 2.85Å; Q240-E244 WeakPolarHBondContact O-CG 3.31Å; Q240-E244 PolarHBondContact O-N 3.25Å
241	L	97.2	Very high	96.9	Very high	16 Å²	16	59.6 Å²	59.6	8%	0.084	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-45.9	178.3	177.3	61.8	0	0	0	111.1	W213 L218 I226 F238 S243 E244 V245 F252	W213-L241 HydrophobicContact CB-CD1 4.45Å; W213-L241 HydrophobicContact CD2-CD1 3.92Å; W213-L241 HydrophobicContact CD2-CD2 3.61Å; W213-L241 HydrophobicContact CD2-CG 4.45Å; W213-L241 HydrophobicContact CE3-CD1 3.67Å; W213-L241 HydrophobicContact CE3-CD2 4Å; W213-L241 HydrophobicContact CG-CD1 4.26Å; W213-L241 HydrophobicContact CG-CD2 4.02Å; W213-L241 HydrophobicContact CH2-CD2 4.45Å; W213-L241 HydrophobicContact CZ2-CD2 4.08Å; W213-L241 HydrophobicContact CZ3-CD1 4.33Å; W213-L241 HydrophobicContact CZ3-CD2 4.4Å; L218-L241 HydrophobicContact CD1-CD1 4.08Å; I226-L241 HydrophobicContact CG2-CD2 4.03Å; F238-L241 HydrophobicContact CD1-CD2 3.87Å; F238-L241 HydrophobicContact CE1-CD2 4.46Å; F238-L241 PolarHBondContact O-N 3.38Å; F238-L241 VanDerWaalsContact O-N 3.1Å; L241-S243 VanDerWaalsContact C-N 3.31Å; L241-S243 PolarHBondContact O-N 3.24Å; L241-E244 PolarHBondContact O-N 3.26Å; L241-V245 HydrophobicContact CD1-CG2 4.1Å; L241-V245 HydrophobicContact CG-CG2 4.38Å; L241-V245 VanDerWaalsContact O-CG2 3.27Å; L241-V245 WeakPolarHBondContact O-CG2 3.49Å; L241-V245 PolarHBondContact O-N 2.94Å; L241-F252 HydrophobicContact CD2-CE2 3.92Å; L241-F252 HydrophobicContact CG-CE2 4Å
242	A	97.3	Very high	96.9	Very high	2 Å²	2	57.9 Å²	57.9	2%	0.017	32%	0.322	C	S	.	.	H	α-helix	trans	-55.1	-47.9	176	0	0	0	0	0	111.3	F238 Q240 E244 V245 H246 F252 F270	F238-A242 PolarHBondContact O-N 3.06Å; Q240-A242 PolarHBondContact O-N 3.08Å; A242-E244 VanDerWaalsContact C-N 3.34Å; A242-E244 PolarHBondContact O-N 3.01Å; A242-V245 PolarHBondContact O-N 3.44Å; A242-H246 VanDerWaalsContact O-CG 3.23Å; A242-H246 PolarHBondContact O-N 3.25Å; A242-H246 PolarHBondContact O-ND1 3.45Å; A242-F252 HydrophobicContact CB-CB 4.41Å; A242-F252 HydrophobicContact CB-CD1 3.53Å; A242-F252 HydrophobicContact CB-CD2 4.18Å; A242-F252 HydrophobicContact CB-CE1 3.8Å; A242-F252 HydrophobicContact CB-CE2 4.43Å; A242-F252 HydrophobicContact CB-CG 3.78Å; A242-F252 HydrophobicContact CB-CZ 4.26Å; A242-F270 WeakPolarHBondContact CB-O 3.21Å
243	S	97	Very high	97	Very high	65 Å²	65	51.6 Å²	51.6	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-39.7	178.4	-59.5	0	0	0	0	112.9	G239 Q240 L241 R247	G239-S243 PolarHBondContact O-N 3.35Å; G239-S243 VanDerWaalsContact O-N 3.16Å; G239-S243 PolarHBondContact O-OG 3.28Å; Q240-S243 WeakPolarHBondContact O-CB 3.45Å; Q240-S243 PolarHBondContact O-N 3.13Å; L241-S243 VanDerWaalsContact C-N 3.31Å; L241-S243 PolarHBondContact O-N 3.24Å; S243-R247 WeakPolarHBondContact O-CB 3.34Å; S243-R247 PolarHBondContact O-N 3.17Å
244	E	97.3	Very high	97.1	Very high	63 Å²	63	49.1 Å²	49.1	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-69.7	-40.8	177.5	-71.8	177.7	-170.2	0	0	112.2	L218 Q240 L241 A242 R247 N248	L218-E244 HydrophobicContact CD1-CB 3.81Å; Q240-E244 PolarHBondContact NE2-OE1 2.85Å; Q240-E244 WeakPolarHBondContact O-CG 3.31Å; Q240-E244 PolarHBondContact O-N 3.25Å; L241-E244 PolarHBondContact O-N 3.26Å; A242-E244 VanDerWaalsContact C-N 3.34Å; A242-E244 PolarHBondContact O-N 3.01Å; E244-R247 PolarHBondContact O-N 2.81Å; E244-N248 PolarHBondContact O-N 3.21Å; E244-N248 PolarHBondContact O-ND2 3.04Å
245	V	97.5	Very high	97.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-46.6	175.1	170.7	0	0	0	0	110.7	L218 V224 L241 A242 N248 G249 G250 F252	L218-V245 HydrophobicContact CD1-CG2 4.04Å; L218-V245 HydrophobicContact CD2-CG2 4.38Å; V224-V245 HydrophobicContact CB-CG2 4.38Å; V224-V245 HydrophobicContact CG1-CG2 3.71Å; V224-V245 HydrophobicContact CG2-CG1 4.4Å; V224-V245 HydrophobicContact CG2-CG2 3.67Å; L241-V245 HydrophobicContact CD1-CG2 4.1Å; L241-V245 HydrophobicContact CG-CG2 4.38Å; L241-V245 VanDerWaalsContact O-CG2 3.27Å; L241-V245 WeakPolarHBondContact O-CG2 3.49Å; L241-V245 PolarHBondContact O-N 2.94Å; A242-V245 PolarHBondContact O-N 3.44Å; V245-N248 CarbonylContact O-C 3.49Å; V245-N248 PolarHBondContact O-N 3.38Å; V245-G249 PolarHBondContact O-N 3.31Å; V245-G250 PolarHBondContact O-N 3.25Å; V245-F252 HydrophobicContact CG1-CB 4.36Å; V245-F252 HydrophobicContact CG2-CD2 4.45Å
246	H	96.9	Very high	97.2	Very high	76 Å²	76	41.8 Å²	41.8	35%	0.352	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-42.3	177.3	-66.7	161.2	0	0	0	112.7	A242 N248 G249 G271 D273	A242-H246 VanDerWaalsContact O-CG 3.23Å; A242-H246 PolarHBondContact O-N 3.25Å; A242-H246 PolarHBondContact O-ND1 3.45Å; H246-N248 PolarHBondContact O-N 3.31Å; H246-N248 VanDerWaalsContact O-N 3.17Å; H246-G249 PolarHBondContact O-N 3.31Å; H246-G271 PolarHBondContact CE1-O 3.19Å; H246-G271 PolarHBondContact NE2-O 3.04Å; H246-D273 IonicContact CD2-OD2 2.99Å; H246-D273 PolarHBondContact CD2-OD2 3.31Å; H246-D273 IonicContact CE1-OD2 2.63Å; H246-D273 IonicContact NE2-OD1 3.34Å; H246-D273 IonicContact NE2-OD2 2.93Å; H246-D273 PolarHBondContact NE2-OD2 2.9Å
247	R	96.7	Very high	97.3	Very high	193 Å²	193	39.3 Å²	39.3	73%	0.728	20%	0.204	S	C	*	.	H	α-helix	trans	-58.2	-30.1	176.8	-168	-175.4	-56.9	159	5.7	112.3	S243 E244	S243-R247 WeakPolarHBondContact O-CB 3.34Å; S243-R247 PolarHBondContact O-N 3.17Å; E244-R247 PolarHBondContact O-N 2.81Å
248	N	96.8	Very high	97.5	Very high	48 Å²	48	33.4 Å²	33.4	26%	0.257	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	5.3	178.2	-70.2	-69.4	0	0	0	113.9	K179 L218 K219 E244 V245 H246 G250	K179-N248 PolarHBondContact NZ-O 3.12Å; L218-N248 HydrophobicContact CB-CB 4.32Å; L218-N248 WeakPolarHBondContact O-CB 3.37Å; K219-N248 WeakPolarHBondContact CG-OD1 2.97Å; E244-N248 PolarHBondContact O-N 3.21Å; E244-N248 PolarHBondContact O-ND2 3.04Å; V245-N248 CarbonylContact O-C 3.49Å; V245-N248 PolarHBondContact O-N 3.38Å; H246-N248 PolarHBondContact O-N 3.31Å; H246-N248 VanDerWaalsContact O-N 3.17Å; N248-G250 VanDerWaalsContact C-N 3.34Å; N248-G250 PolarHBondContact O-N 2.69Å
249	G	95.7	Very high	97.6	Very high	38 Å²	38	36.3 Å²	36.3	39%	0.392	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	21.3	176	0	0	0	0	0	114.8	I177 V245 H246	I177-G249 WeakPolarHBondContact CD1-O 3.26Å; V245-G249 PolarHBondContact O-N 3.31Å; H246-G249 PolarHBondContact O-N 3.31Å
250	G	97.4	Very high	97.7	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.021	19%	0.188	C	C	.	.			trans	-89.9	171	168.3	0	0	0	0	0	111.8	V245 N248	V245-G250 PolarHBondContact O-N 3.25Å; N248-G250 VanDerWaalsContact C-N 3.34Å; N248-G250 PolarHBondContact O-N 2.69Å
251	L	98.1	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	144.1	171.4	-59.8	-176.3	0	0	0	111.7	L172 C173 V176 I177 S222 G223 V224 D273 Y302 L307	L172-L251 HydrophobicContact CD2-CD1 3.93Å; C173-L251 HydrophobicContact CB-CD1 4.38Å; V176-L251 HydrophobicContact CB-CD1 4.39Å; V176-L251 HydrophobicContact CG1-CD1 4.31Å; I177-L251 HydrophobicContact CD1-CD2 4.28Å; I177-L251 HydrophobicContact CD1-CG 4.14Å; I177-L251 HydrophobicContact CG1-CD1 4.46Å; I177-L251 HydrophobicContact CG1-CG 4.02Å; S222-L251 PolarHBondContact O-N 3.14Å; G223-L251 CarbonylContact C-O 3.52Å; G223-L251 WeakPolarHBondContact CA-O 3.42Å; V224-L251 PolarHBondContact N-O 3.23Å; L251-D273 WeakPolarHBondContact CA-OD2 3.25Å; L251-D273 HydrophobicContact CB-CB 4.2Å; L251-D273 HydrophobicContact CD2-CB 4.16Å; L251-Y302 HydrophobicContact CD2-CD2 3.42Å; L251-Y302 VanDerWaalsContact CD2-CD2 3.42Å; L251-Y302 HydrophobicContact CD2-CE2 3.42Å; L251-Y302 VanDerWaalsContact CD2-CE2 3.42Å; L251-Y302 HydrophobicContact CD2-CG 4.03Å; L251-L307 HydrophobicContact CD1-CD2 3.94Å
252	F	98.4	Very high	97.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110.5	178.8	-172.7	-113.6	0	0	0	110.5	V224 I226 F238 L241 A242 V245 V254 F270 A272 D273 V274	V224-F252 HydrophobicContact CG2-CD2 3.39Å; V224-F252 HydrophobicContact CG2-CE2 3.86Å; V224-F252 HydrophobicContact CG2-CG 4.48Å; I226-F252 HydrophobicContact CD1-CZ 4.39Å; I226-F252 HydrophobicContact CG1-CE2 4.06Å; I226-F252 HydrophobicContact CG1-CZ 3.7Å; I226-F252 HydrophobicContact CG2-CE2 4.34Å; F238-F252 HydrophobicContact CB-CE1 4.43Å; F238-F252 HydrophobicContact CB-CE2 4.5Å; F238-F252 HydrophobicContact CB-CZ 3.68Å; F238-F252 HydrophobicContact CG-CZ 4.38Å; L241-F252 HydrophobicContact CD2-CE2 3.92Å; L241-F252 HydrophobicContact CG-CE2 4Å; A242-F252 HydrophobicContact CB-CB 4.41Å; A242-F252 HydrophobicContact CB-CD1 3.53Å; A242-F252 HydrophobicContact CB-CD2 4.18Å; A242-F252 HydrophobicContact CB-CE1 3.8Å; A242-F252 HydrophobicContact CB-CE2 4.43Å; A242-F252 HydrophobicContact CB-CG 3.78Å; A242-F252 HydrophobicContact CB-CZ 4.26Å; V245-F252 HydrophobicContact CG1-CB 4.36Å; V245-F252 HydrophobicContact CG2-CD2 4.45Å; F252-V254 HydrophobicContact CD1-CG2 4.03Å; F252-V254 HydrophobicContact CE1-CG2 3.52Å; F252-V254 HydrophobicContact CZ-CG2 4.06Å; F252-F270 AromaticContact CE1-CD2 3.98Å; F252-F270 HydrophobicContact CE1-CD2 3.98Å; F252-F270 AromaticContact CE1-CE2 3.87Å; F252-F270 HydrophobicContact CE1-CE2 3.87Å; F252-F270 HydrophobicContact CZ-CE2 4.45Å; F252-A272 HydrophobicContact CD1-CB 4.49Å; F252-D273 PolarHBondContact N-OD2 3.48Å; F252-D273 PolarHBondContact O-N 2.89Å; F252-V274 PolarHBondContact O-N 2.93Å
253	V	98.8	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.4	-177.4	-172.5	0	0	0	0	110.4	A169 C173 F182 V224 L225 I226 V274	A169-V253 HydrophobicContact CB-CG1 3.56Å; A169-V253 HydrophobicContact CB-CG2 4.31Å; C173-V253 WeakPolarHBondContact SG-CG2 3.43Å; F182-V253 HydrophobicContact CZ-CG2 4.27Å; V224-V253 WeakPolarHBondContact O-CA 3.36Å; V224-V253 VanDerWaalsContact O-CB 3.27Å; V224-V253 WeakPolarHBondContact O-CB 3.29Å; V224-V253 PolarHBondContact O-N 3.13Å; L225-V253 WeakPolarHBondContact CA-O 3.33Å; L225-V253 HydrophobicContact CB-CB 4.25Å; L225-V253 HydrophobicContact CD1-CB 3.94Å; L225-V253 HydrophobicContact CD1-CG1 3.51Å; I226-V253 PolarHBondContact N-O 3.26Å; V253-V274 WeakPolarHBondContact CA-O 3.47Å; V253-V274 HydrophobicContact CB-CB 4.45Å; V253-V274 HydrophobicContact CG1-CB 4.03Å; V253-V274 HydrophobicContact CG1-CG1 4.19Å; V253-V274 HydrophobicContact CG2-CB 4.14Å; V253-V274 HydrophobicContact CG2-CG2 4.46Å
254	V	98.8	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.6	-179.6	-179.1	0	0	0	0	110.3	I226 F252 P267 F270 A272 V274 A275 V276	I226-V254 HydrophobicContact CD1-CB 4.13Å; I226-V254 HydrophobicContact CD1-CG1 3.64Å; I226-V254 HydrophobicContact CD1-CG2 3.85Å; I226-V254 HydrophobicContact CG1-CG2 4.06Å; F252-V254 HydrophobicContact CD1-CG2 4.03Å; F252-V254 HydrophobicContact CE1-CG2 3.52Å; F252-V254 HydrophobicContact CZ-CG2 4.06Å; V254-P267 HydrophobicContact CB-CB 3.91Å; V254-P267 HydrophobicContact CB-CG 4.17Å; V254-P267 HydrophobicContact CG1-CB 3.93Å; V254-P267 HydrophobicContact CG1-CG 3.7Å; V254-P267 HydrophobicContact CG2-CB 4.16Å; V254-F270 HydrophobicContact CG1-CZ 4.34Å; V254-F270 HydrophobicContact CG2-CE2 3.96Å; V254-F270 HydrophobicContact CG2-CZ 4.4Å; V254-A272 HydrophobicContact CB-CB 4.37Å; V254-A272 HydrophobicContact CG2-CB 3.78Å; V254-V274 PolarHBondContact N-O 2.94Å; V254-A275 CarbonylContact O-C 3.5Å; V254-A275 WeakPolarHBondContact O-CA 3.18Å; V254-V276 PolarHBondContact O-N 3.39Å
255	A	98.9	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.9	161.3	0	0	0	0	0	108.8	L225 I226 Q227 Y228 V276	L225-A255 HydrophobicContact CD1-CB 4.18Å; I226-A255 PolarHBondContact O-N 3.21Å; Q227-A255 CarbonylContact C-O 3.51Å; Q227-A255 WeakPolarHBondContact CA-O 3.41Å; Y228-A255 PolarHBondContact N-O 2.84Å; A255-V276 CarbonylContact C-O 3.53Å; A255-V276 VanDerWaalsContact CA-O 3.26Å; A255-V276 WeakPolarHBondContact CA-O 3.41Å; A255-V276 HydrophobicContact CB-CG2 4.05Å
256	T	98.8	Very high	97.9	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	171.6	-174.1	-161.3	0	0	0	0	113.1	T150 Y228 C261 P267 V276 F295	T150-T256 HydrophobicContact CG2-CG2 4.31Å; Y228-T256 VanDerWaalsContact O-CA 3.27Å; Y228-T256 WeakPolarHBondContact O-CA 3.31Å; Y228-T256 VanDerWaalsContact O-CB 3.28Å; Y228-T256 WeakPolarHBondContact O-CB 3.26Å; Y228-T256 PolarHBondContact O-OG1 3.42Å; T256-C261 PolarHBondContact OG1-SG 2.93Å; T256-C261 VanDerWaalsContact OG1-SG 3.33Å; T256-P267 HydrophobicContact CG2-CG 3.78Å; T256-V276 PolarHBondContact N-O 3.37Å; T256-F295 HydrophobicContact CG2-CE2 4.03Å; T256-F295 HydrophobicContact CG2-CZ 3.68Å
257	D	98.7	Very high	98	Very high	18 Å²	18	37.6 Å²	37.6	10%	0.096	20%	0.197	C	C	.	.			trans	-111.8	123.1	177.4	180	-63.5	0	0	0	109.3	L259 A260 C261 R281	D257-L259 VanDerWaalsContact C-N 3.31Å; D257-L259 PolarHBondContact O-N 3.47Å; D257-L259 WeakPolarHBondContact OD1-CA 3.44Å; D257-L259 VanDerWaalsContact OD1-CB 3.31Å; D257-L259 WeakPolarHBondContact OD1-CB 3.38Å; D257-L259 PolarHBondContact OD1-N 3.11Å; D257-A260 HydrophobicContact CB-CB 3.85Å; D257-A260 PolarHBondContact O-N 2.94Å; D257-A260 PolarHBondContact OD1-N 3.47Å; D257-C261 PolarHBondContact O-N 2.94Å; D257-C261 PolarHBondContact O-SG 3.45Å; D257-R281 WeakPolarHBondContact OD1-CD 2.99Å; D257-R281 IonicContact OD1-NE 2.72Å; D257-R281 IonicContact OD1-NH1 2.77Å; D257-R281 WeakPolarHBondContact OD2-CD 3.36Å; D257-R281 IonicContact OD2-CZ 3.95Å; D257-R281 IonicContact OD2-NE 3.67Å; D257-R281 IonicContact OD2-NH1 3.78Å; D257-R281 PolarHBondContact OD2-NH1 2.77Å
258	L	98.6	Very high	98	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-39.2	-178.4	-63.6	174.7	0	0	0	111.8	M145 M149 T150 A260 C261 A262 A279 F282 F295	M145-L258 HydrophobicContact CE-CD1 4Å; M145-L258 HydrophobicContact SD-CD1 3.87Å; M149-L258 HydrophobicContact CB-CD2 3.97Å; M149-L258 WeakPolarHBondContact CE-O 3.4Å; T150-L258 HydrophobicContact CG2-CD2 3.91Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 2.99Å; L258-C261 PolarHBondContact O-N 3.28Å; L258-A262 PolarHBondContact O-N 3.11Å; L258-A279 HydrophobicContact CD1-CB 3.97Å; L258-F282 HydrophobicContact CB-CD1 4.47Å; L258-F282 HydrophobicContact CB-CD2 4.45Å; L258-F282 HydrophobicContact CB-CE1 3.82Å; L258-F282 HydrophobicContact CB-CE2 3.79Å; L258-F282 HydrophobicContact CB-CZ 3.45Å; L258-F282 VanDerWaalsContact CB-CZ 3.45Å; L258-F282 HydrophobicContact CD1-CD2 4.14Å; L258-F282 HydrophobicContact CD1-CE2 4.06Å; L258-F295 HydrophobicContact CD1-CD1 3.81Å; L258-F295 HydrophobicContact CD1-CE1 3.99Å; L258-F295 HydrophobicContact CD2-CD1 3.98Å; L258-F295 HydrophobicContact CD2-CD2 4.42Å; L258-F295 HydrophobicContact CD2-CE1 3.69Å; L258-F295 HydrophobicContact CD2-CE2 4.15Å; L258-F295 HydrophobicContact CD2-CG 4.34Å; L258-F295 HydrophobicContact CD2-CZ 3.78Å; L258-F295 HydrophobicContact CG-CD1 3.83Å; L258-F295 HydrophobicContact CG-CE1 3.48Å; L258-F295 VanDerWaalsContact CG-CE1 3.48Å; L258-F295 HydrophobicContact CG-CZ 4.04Å
259	L	98.4	Very high	98	Very high	80 Å²	80	31.4 Å²	31.4	42%	0.419	18%	0.175	S	C	.	.	H	α-helix	trans	-67.9	-37.8	179.6	-168.7	63.8	0	0	0	111.3	D257 C261 A262 R281 F282	D257-L259 VanDerWaalsContact C-N 3.31Å; D257-L259 PolarHBondContact O-N 3.47Å; D257-L259 WeakPolarHBondContact OD1-CA 3.44Å; D257-L259 VanDerWaalsContact OD1-CB 3.31Å; D257-L259 WeakPolarHBondContact OD1-CB 3.38Å; D257-L259 PolarHBondContact OD1-N 3.11Å; L259-C261 VanDerWaalsContact C-N 3.33Å; L259-A262 WeakPolarHBondContact O-CB 3.39Å; L259-A262 PolarHBondContact O-N 3.09Å; L259-R281 HydrophobicContact CB-CG 4.19Å; L259-F282 HydrophobicContact CB-CE1 3.82Å; L259-F282 HydrophobicContact CD1-CE1 4Å
260	A	98.4	Very high	98.1	Very high	18 Å²	18	30.2 Å²	30.2	15%	0.149	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-44.2	175.2	0	0	0	0	0	110.9	P229 D257 L258 A262 I263 I264	P229-A260 HydrophobicContact CG-CB 4.05Å; D257-A260 HydrophobicContact CB-CB 3.85Å; D257-A260 PolarHBondContact O-N 2.94Å; D257-A260 PolarHBondContact OD1-N 3.47Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 2.99Å; A260-A262 PolarHBondContact O-N 3.19Å; A260-I263 WeakPolarHBondContact O-CG1 3.41Å; A260-I263 PolarHBondContact O-N 3.49Å; A260-I264 HydrophobicContact CB-CD1 3.86Å; A260-I264 WeakPolarHBondContact O-CG1 3.46Å; A260-I264 PolarHBondContact O-N 2.77Å; A260-I264 VanDerWaalsContact O-N 3.08Å
261	C	98.2	Very high	98.1	Very high	11 Å²	11	30.7 Å²	30.7	7%	0.074	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-14.8	177.6	-64.1	0	0	0	0	114.4	M149 T256 D257 L258 L259 I263 P266	M149-C261 WeakPolarHBondContact O-CB 3.33Å; T256-C261 PolarHBondContact OG1-SG 2.93Å; T256-C261 VanDerWaalsContact OG1-SG 3.33Å; D257-C261 PolarHBondContact O-N 2.94Å; D257-C261 PolarHBondContact O-SG 3.45Å; L258-C261 PolarHBondContact O-N 3.28Å; L259-C261 VanDerWaalsContact C-N 3.33Å; C261-I263 PolarHBondContact O-N 3.24Å; C261-P266 HydrophobicContact CB-CB 4.36Å
262	A	97.7	Very high	98.1	Very high	62 Å²	62	30.7 Å²	30.7	51%	0.512	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-23.1	172.8	0	0	0	0	0	113	M149 L258 L259 A260	M149-A262 HydrophobicContact CE-CB 3.81Å; L258-A262 PolarHBondContact O-N 3.11Å; L259-A262 WeakPolarHBondContact O-CB 3.39Å; L259-A262 PolarHBondContact O-N 3.09Å; A260-A262 PolarHBondContact O-N 3.19Å
263	I	97.5	Very high	98.1	Very high	155 Å²	155	31 Å²	31	80%	0.795	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.7	-13.3	-173.4	62.1	171	0	0	0	114.2	A260 C261	A260-I263 WeakPolarHBondContact O-CG1 3.41Å; A260-I263 PolarHBondContact O-N 3.49Å; C261-I263 PolarHBondContact O-N 3.24Å
264	I	97.7	Very high	98.1	Very high	28 Å²	28	31 Å²	31	14%	0.144	17%	0.166	C	C	.	.	S	Bend	trans	-109.9	157.2	175.1	75.4	-172.8	0	0	0	110.1	Y228 P229 I235 A260 P266	Y228-I264 HydrophobicContact CD1-CD1 3.89Å; Y228-I264 HydrophobicContact CE1-CD1 3.27Å; Y228-I264 HydrophobicContact CE1-CG1 3.65Å; P229-I264 HydrophobicContact CG-CD1 4.02Å; I235-I264 HydrophobicContact CD1-CG2 3.95Å; A260-I264 HydrophobicContact CB-CD1 3.86Å; A260-I264 WeakPolarHBondContact O-CG1 3.46Å; A260-I264 PolarHBondContact O-N 2.77Å; A260-I264 VanDerWaalsContact O-N 3.08Å; I264-P266 WeakPolarHBondContact O-CD 3.49Å; I264-P266 VanDerWaalsContact O-N 3.14Å
265	R	97.7	Very high	98	Very high	120 Å²	120	31 Å²	31	45%	0.453	17%	0.166	S	C	.	.			trans	-55	117.1	177	-174.7	-175.4	-177.8	-177.3	-0.1	109.9	Y228 E269 F270	Y228-R265 VanDerWaalsContact CE1-O 3.23Å; Y228-R265 WeakPolarHBondContact CE1-O 3.33Å; R265-E269 HydrophobicContact CG-CB 3.75Å; R265-E269 WeakPolarHBondContact CG-OE2 3.29Å; R265-E269 PolarHBondContact NH2-O 3.13Å; R265-F270 HydrophobicContact CG-CD1 4.13Å; R265-F270 WeakPolarHBondContact O-CE1 3.37Å
266	P	98.1	Very high	98	Very high	13 Å²	13	31 Å²	31	8%	0.084	17%	0.166	C	C	.	.			trans	-72.9	158.1	-175	29.3	-36.8	0	0	0	112.7	M149 A151 C261 I264 G268 E269 F270	M149-P266 VanDerWaalsContact O-CB 3.29Å; M149-P266 WeakPolarHBondContact O-CB 3.49Å; A151-P266 HydrophobicContact CB-CB 4.15Å; A151-P266 HydrophobicContact CB-CG 3.65Å; C261-P266 HydrophobicContact CB-CB 4.36Å; I264-P266 WeakPolarHBondContact O-CD 3.49Å; I264-P266 VanDerWaalsContact O-N 3.14Å; P266-G268 VanDerWaalsContact C-N 3.31Å; P266-G268 PolarHBondContact O-N 3.33Å; P266-G268 VanDerWaalsContact O-N 3.16Å; P266-E269 HydrophobicContact CG-CB 4.47Å; P266-E269 HydrophobicContact CG-CG 3.93Å; P266-E269 WeakPolarHBondContact CG-OE1 3.27Å; P266-E269 WeakPolarHBondContact O-CB 3.42Å; P266-E269 PolarHBondContact O-N 3.47Å; P266-F270 VanDerWaalsContact O-CD1 3.24Å; P266-F270 WeakPolarHBondContact O-CD1 3.41Å; P266-F270 WeakPolarHBondContact O-CE1 3.42Å
267	P	98.2	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-50.2	-42.7	-174.9	-30.3	36.1	0	0	0	116	V254 T256 E269 F270 G271 A272 A275	V254-P267 HydrophobicContact CB-CB 3.91Å; V254-P267 HydrophobicContact CB-CG 4.17Å; V254-P267 HydrophobicContact CG1-CB 3.93Å; V254-P267 HydrophobicContact CG1-CG 3.7Å; V254-P267 HydrophobicContact CG2-CB 4.16Å; T256-P267 HydrophobicContact CG2-CG 3.78Å; P267-E269 PolarHBondContact O-N 2.93Å; P267-F270 VanDerWaalsContact CA-CZ 3.48Å; P267-F270 HydrophobicContact CB-CE1 4.43Å; P267-F270 HydrophobicContact CB-CZ 4.15Å; P267-F270 HydrophobicContact CG-CZ 4.36Å; P267-F270 PolarHBondContact O-N 3.42Å; P267-G271 PolarHBondContact O-N 3.48Å; P267-A272 VanDerWaalsContact C-CB 3.48Å; P267-A272 HydrophobicContact CB-CB 3.56Å; P267-A272 VanDerWaalsContact O-CB 3.22Å; P267-A272 WeakPolarHBondContact O-CB 3.19Å; P267-A272 PolarHBondContact O-N 3.45Å; P267-A275 HydrophobicContact CB-CB 4.16Å; P267-A275 HydrophobicContact CG-CB 4.34Å
268	G	97.6	Very high	98	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-56.8	-40.4	178.8	0	0	0	0	0	111.6	T150 A151 P266 F270 G271 R301	T150-G268 WeakPolarHBondContact O-CA 3.47Å; T150-G268 PolarHBondContact O-N 2.94Å; A151-G268 WeakPolarHBondContact O-CA 3.41Å; P266-G268 VanDerWaalsContact C-N 3.31Å; P266-G268 PolarHBondContact O-N 3.33Å; P266-G268 VanDerWaalsContact O-N 3.16Å; G268-F270 VanDerWaalsContact C-N 3.26Å; G268-F270 PolarHBondContact O-N 2.93Å; G268-G271 PolarHBondContact O-N 3.01Å; G268-R301 VanDerWaalsContact C-NH2 3.32Å; G268-R301 PolarHBondContact O-NH1 3.43Å; G268-R301 PolarHBondContact O-NH2 3.14Å
269	E	97.1	Very high	98	Very high	110 Å²	110	31 Å²	31	51%	0.514	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-67.6	-23.9	-175.4	-72.5	-179.1	-157.5	0	0	113.9	A151 R265 P266 P267	A151-E269 HydrophobicContact CB-CG 3.99Å; R265-E269 HydrophobicContact CG-CB 3.75Å; R265-E269 WeakPolarHBondContact CG-OE2 3.29Å; R265-E269 PolarHBondContact NH2-O 3.13Å; P266-E269 HydrophobicContact CG-CB 4.47Å; P266-E269 HydrophobicContact CG-CG 3.93Å; P266-E269 WeakPolarHBondContact CG-OE1 3.27Å; P266-E269 WeakPolarHBondContact O-CB 3.42Å; P266-E269 PolarHBondContact O-N 3.47Å; P267-E269 PolarHBondContact O-N 2.93Å
270	F	96.9	Very high	98.1	Very high	13 Å²	13	27.2 Å²	27.2	6%	0.057	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-108.3	16.7	177.8	59.9	-98.5	0	0	0	114.2	Y228 F238 A242 F252 V254 R265 P266 P267 G268	Y228-F270 AromaticContact CD1-CE1 3.95Å; Y228-F270 HydrophobicContact CD1-CE1 3.95Å; Y228-F270 AromaticContact CD1-CZ 3.77Å; Y228-F270 HydrophobicContact CD1-CZ 3.77Å; Y228-F270 HydrophobicContact CD2-CZ 4.47Å; Y228-F270 AromaticContact CE1-CE1 3.72Å; Y228-F270 HydrophobicContact CE1-CE1 3.72Å; Y228-F270 HydrophobicContact CE1-CZ 4.01Å; Y228-F270 HydrophobicContact CG-CZ 4.02Å; F238-F270 HydrophobicContact CB-CE2 4.44Å; A242-F270 WeakPolarHBondContact CB-O 3.21Å; F252-F270 AromaticContact CE1-CD2 3.98Å; F252-F270 HydrophobicContact CE1-CD2 3.98Å; F252-F270 AromaticContact CE1-CE2 3.87Å; F252-F270 HydrophobicContact CE1-CE2 3.87Å; F252-F270 HydrophobicContact CZ-CE2 4.45Å; V254-F270 HydrophobicContact CG1-CZ 4.34Å; V254-F270 HydrophobicContact CG2-CE2 3.96Å; V254-F270 HydrophobicContact CG2-CZ 4.4Å; R265-F270 HydrophobicContact CG-CD1 4.13Å; R265-F270 WeakPolarHBondContact O-CE1 3.37Å; P266-F270 VanDerWaalsContact O-CD1 3.24Å; P266-F270 WeakPolarHBondContact O-CD1 3.41Å; P266-F270 WeakPolarHBondContact O-CE1 3.42Å; P267-F270 VanDerWaalsContact CA-CZ 3.48Å; P267-F270 HydrophobicContact CB-CE1 4.43Å; P267-F270 HydrophobicContact CB-CZ 4.15Å; P267-F270 HydrophobicContact CG-CZ 4.36Å; P267-F270 PolarHBondContact O-N 3.42Å; G268-F270 VanDerWaalsContact C-N 3.26Å; G268-F270 PolarHBondContact O-N 2.93Å
271	G	96.6	Very high	98	Very high	12 Å²	12	29.7 Å²	29.7	12%	0.124	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	18.8	166.1	0	0	0	0	0	115.5	H246 P267 G268 D273	H246-G271 PolarHBondContact CE1-O 3.19Å; H246-G271 PolarHBondContact NE2-O 3.04Å; P267-G271 PolarHBondContact O-N 3.48Å; G268-G271 PolarHBondContact O-N 3.01Å; G271-D273 PolarHBondContact O-N 2.92Å
272	A	98.1	Very high	98	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	17%	0.166	C	C	.	.			trans	-59.1	132.6	169.6	0	0	0	0	0	111.9	M152 F252 V254 P267 S299	M152-A272 HydrophobicContact CE-CB 4.38Å; M152-A272 HydrophobicContact SD-CB 4.2Å; F252-A272 HydrophobicContact CD1-CB 4.49Å; V254-A272 HydrophobicContact CB-CB 4.37Å; V254-A272 HydrophobicContact CG2-CB 3.78Å; P267-A272 VanDerWaalsContact C-CB 3.48Å; P267-A272 HydrophobicContact CB-CB 3.56Å; P267-A272 VanDerWaalsContact O-CB 3.22Å; P267-A272 WeakPolarHBondContact O-CB 3.19Å; P267-A272 PolarHBondContact O-N 3.45Å; A272-S299 WeakPolarHBondContact O-CB 3.48Å
273	D	98.4	Very high	98	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.037	15%	0.147	C	C	.	.	S	Bend	trans	-87	-32	166.9	-65	-65.9	0	0	0	111.1	M152 H246 L251 F252 G271 V298 S299 L307	M152-D273 VanDerWaalsContact CE-C 3.47Å; M152-D273 WeakPolarHBondContact CE-O 3.31Å; H246-D273 IonicContact CD2-OD2 2.99Å; H246-D273 PolarHBondContact CD2-OD2 3.31Å; H246-D273 IonicContact CE1-OD2 2.63Å; H246-D273 IonicContact NE2-OD1 3.34Å; H246-D273 IonicContact NE2-OD2 2.93Å; H246-D273 PolarHBondContact NE2-OD2 2.9Å; L251-D273 WeakPolarHBondContact CA-OD2 3.25Å; L251-D273 HydrophobicContact CB-CB 4.2Å; L251-D273 HydrophobicContact CD2-CB 4.16Å; F252-D273 PolarHBondContact N-OD2 3.48Å; F252-D273 PolarHBondContact O-N 2.89Å; G271-D273 PolarHBondContact O-N 2.92Å; D273-V298 CarbonylContact O-C 3.53Å; D273-V298 WeakPolarHBondContact O-CA 3.44Å; D273-S299 PolarHBondContact O-N 3.07Å; D273-L307 HydrophobicContact CB-CD1 4.08Å; D273-L307 WeakPolarHBondContact O-CD1 3.47Å
274	V	98.7	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133	178.2	-176	0	0	0	0	109.6	A169 L172 F252 V253 V254 V276 F296 A297 V298	A169-V274 HydrophobicContact CB-CG1 4.06Å; L172-V274 HydrophobicContact CD2-CG2 4.19Å; F252-V274 PolarHBondContact O-N 2.93Å; V253-V274 WeakPolarHBondContact CA-O 3.47Å; V253-V274 HydrophobicContact CB-CB 4.45Å; V253-V274 HydrophobicContact CG1-CB 4.03Å; V253-V274 HydrophobicContact CG1-CG1 4.19Å; V253-V274 HydrophobicContact CG2-CB 4.14Å; V253-V274 HydrophobicContact CG2-CG2 4.46Å; V254-V274 PolarHBondContact N-O 2.94Å; V274-V276 HydrophobicContact CG1-CG1 3.94Å; V274-F296 HydrophobicContact CG1-CD1 4.29Å; V274-F296 HydrophobicContact CG1-CD2 4.49Å; V274-F296 HydrophobicContact CG1-CE1 3.68Å; V274-F296 HydrophobicContact CG1-CE2 3.93Å; V274-F296 HydrophobicContact CG1-CZ 3.47Å; V274-F296 VanDerWaalsContact CG1-CZ 3.47Å; V274-A297 CarbonylContact C-O 3.48Å; V274-A297 VanDerWaalsContact CA-O 3.26Å; V274-A297 WeakPolarHBondContact CA-O 3.37Å; V274-V298 HydrophobicContact CG2-CG1 4.22Å
275	A	98.7	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	131	172.2	0	0	0	0	0	109.7	T150 M152 V254 P267 A297	T150-A275 HydrophobicContact CG2-CB 4.11Å; M152-A275 HydrophobicContact CE-CB 4.3Å; M152-A275 HydrophobicContact CG-CB 3.85Å; M152-A275 HydrophobicContact SD-CB 4.31Å; V254-A275 CarbonylContact O-C 3.5Å; V254-A275 WeakPolarHBondContact O-CA 3.18Å; P267-A275 HydrophobicContact CB-CB 4.16Å; P267-A275 HydrophobicContact CG-CB 4.34Å; A275-A297 PolarHBondContact N-O 2.99Å; A275-A297 PolarHBondContact O-N 3.1Å
276	V	98.9	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	161.1	-179.2	-59.2	0	0	0	0	111.1	A165 A169 V254 A255 T256 V274 F295 F296	A165-V276 HydrophobicContact CB-CB 4.06Å; A165-V276 HydrophobicContact CB-CG1 4.31Å; A169-V276 HydrophobicContact CB-CG1 4.17Å; V254-V276 PolarHBondContact O-N 3.39Å; A255-V276 CarbonylContact C-O 3.53Å; A255-V276 VanDerWaalsContact CA-O 3.26Å; A255-V276 WeakPolarHBondContact CA-O 3.41Å; A255-V276 HydrophobicContact CB-CG2 4.05Å; T256-V276 PolarHBondContact N-O 3.37Å; V274-V276 HydrophobicContact CG1-CG1 3.94Å; V276-F295 WeakPolarHBondContact CA-O 3.44Å; V276-F295 WeakPolarHBondContact O-CE2 3.38Å; V276-F295 WeakPolarHBondContact O-CZ 3.43Å; V276-F296 HydrophobicContact CG1-CB 4.5Å; V276-F296 HydrophobicContact CG1-CD2 3.38Å; V276-F296 HydrophobicContact CG1-CE2 3.74Å; V276-F296 HydrophobicContact CG1-CG 4.05Å
277	G	98.8	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.7	-172.3	176	0	0	0	0	0	112.5	A294 F295	G277-A294 CarbonylContact O-C 3.51Å; G277-A294 WeakPolarHBondContact O-CA 3.35Å; G277-A294 WeakPolarHBondContact O-CB 3.43Å; G277-F295 VanDerWaalsContact C-CD1 3.42Å; G277-F295 VanDerWaalsContact N-CZ 3.34Å; G277-F295 PolarHBondContact N-O 2.94Å; G277-F295 VanDerWaalsContact O-CD1 3.27Å; G277-F295 WeakPolarHBondContact O-CD1 3.19Å; G277-F295 PolarHBondContact O-N 3.23Å
278	S	98.8	Very high	98	Very high	13 Å²	13	36.6 Å²	36.6	9%	0.091	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137.4	174.8	-175.9	0	0	0	0	112.3	E162 Q280	E162-S278 PolarHBondContact OE2-N 2.87Å; S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 WeakPolarHBondContact OG-CB 3.47Å; S278-Q280 PolarHBondContact OG-N 3.1Å; S278-Q280 VanDerWaalsContact OG-N 3.11Å
279	A	98.6	Very high	98	Very high	8 Å²	8	38.8 Å²	38.8	7%	0.066	21%	0.21	C	C	.	.			trans	-89	8.4	168.2	0	0	0	0	0	113	F142 L258 R281 F282 A293	F142-A279 HydrophobicContact CE2-CB 3.91Å; L258-A279 HydrophobicContact CD1-CB 3.97Å; A279-R281 VanDerWaalsContact C-N 3.35Å; A279-R281 PolarHBondContact O-N 3.01Å; A279-F282 WeakPolarHBondContact O-CB 3.19Å; A279-F282 PolarHBondContact O-N 2.86Å; A279-F282 VanDerWaalsContact O-N 3.08Å; A279-A293 VanDerWaalsContact CB-O 3.3Å; A279-A293 WeakPolarHBondContact CB-O 3.42Å; A279-A293 PolarHBondContact N-O 3.24Å
280	Q	98.7	Very high	98.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-49	-173.5	177.4	-88.7	-52.5	0	0	113.5	Y102 S278 F282 L284 H292	Y102-Q280 PolarHBondContact O-NE2 2.88Å; Y102-Q280 PolarHBondContact O-OE1 3.34Å; S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 WeakPolarHBondContact OG-CB 3.47Å; S278-Q280 PolarHBondContact OG-N 3.1Å; S278-Q280 VanDerWaalsContact OG-N 3.11Å; Q280-F282 PolarHBondContact O-N 3.36Å; Q280-F282 VanDerWaalsContact O-N 3.1Å; Q280-L284 PolarHBondContact NE2-O 3.34Å; Q280-L284 WeakPolarHBondContact O-CA 3.32Å; Q280-L284 WeakPolarHBondContact O-CB 3.43Å; Q280-L284 PolarHBondContact O-N 3.41Å; Q280-H292 HydrophobicContact CB-CB 3.93Å; Q280-H292 HydrophobicContact CG-CB 4.46Å; Q280-H292 WeakPolarHBondContact CG-CD2 3.42Å; Q280-H292 VanDerWaalsContact CG-CE1 3.49Å; Q280-H292 WeakPolarHBondContact CG-CE1 3.45Å; Q280-H292 VanDerWaalsContact CG-NE2 3.31Å; Q280-H292 WeakPolarHBondContact CG-NE2 3.26Å
281	R	98.1	Very high	98.1	Very high	69 Å²	69	40 Å²	40	26%	0.26	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-0.7	-173.7	72.7	-173.9	-58.6	171.5	1.8	114.1	C104 D257 L259 A279 G283	C104-R281 HydrophobicContact CB-CB 4.48Å; D257-R281 WeakPolarHBondContact OD1-CD 2.99Å; D257-R281 IonicContact OD1-NE 2.72Å; D257-R281 IonicContact OD1-NH1 2.77Å; D257-R281 WeakPolarHBondContact OD2-CD 3.36Å; D257-R281 IonicContact OD2-CZ 3.95Å; D257-R281 IonicContact OD2-NE 3.67Å; D257-R281 IonicContact OD2-NH1 3.78Å; D257-R281 PolarHBondContact OD2-NH1 2.77Å; L259-R281 HydrophobicContact CB-CG 4.19Å; A279-R281 VanDerWaalsContact C-N 3.35Å; A279-R281 PolarHBondContact O-N 3.01Å; R281-G283 PolarHBondContact O-N 3.31Å; R281-G283 VanDerWaalsContact O-N 3.14Å
282	F	98.3	Very high	98.2	Very high	78 Å²	78	40.2 Å²	40.2	34%	0.342	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	51.6	168.6	-78.3	15	0	0	0	110.7	M145 M149 L258 L259 A279 Q280	M145-F282 HydrophobicContact CE-CD2 4.02Å; M145-F282 HydrophobicContact CE-CE2 4.32Å; M145-F282 HydrophobicContact CG-CE2 4.31Å; M145-F282 HydrophobicContact SD-CD2 3.85Å; M145-F282 HydrophobicContact SD-CE2 3.52Å; M145-F282 VanDerWaalsContact SD-CE2 3.52Å; M149-F282 HydrophobicContact CE-CZ 3.9Å; L258-F282 HydrophobicContact CB-CD1 4.47Å; L258-F282 HydrophobicContact CB-CD2 4.45Å; L258-F282 HydrophobicContact CB-CE1 3.82Å; L258-F282 HydrophobicContact CB-CE2 3.79Å; L258-F282 HydrophobicContact CB-CZ 3.45Å; L258-F282 VanDerWaalsContact CB-CZ 3.45Å; L258-F282 HydrophobicContact CD1-CD2 4.14Å; L258-F282 HydrophobicContact CD1-CE2 4.06Å; L259-F282 HydrophobicContact CB-CE1 3.82Å; L259-F282 HydrophobicContact CD1-CE1 4Å; A279-F282 WeakPolarHBondContact O-CB 3.19Å; A279-F282 PolarHBondContact O-N 2.86Å; A279-F282 VanDerWaalsContact O-N 3.08Å; Q280-F282 PolarHBondContact O-N 3.36Å; Q280-F282 VanDerWaalsContact O-N 3.1Å
283	G	97.7	Very high	98.2	Very high	11 Å²	11	41.7 Å²	41.7	11%	0.113	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	21	170.7	0	0	0	0	0	116	C104 L106 R281	C104-G283 VanDerWaalsContact SG-CA 3.57Å; L106-G283 WeakPolarHBondContact CA-O 3.41Å; L106-G283 WeakPolarHBondContact CB-O 3.37Å; L106-G283 WeakPolarHBondContact CD1-O 3.22Å; R281-G283 PolarHBondContact O-N 3.31Å; R281-G283 VanDerWaalsContact O-N 3.14Å
284	L	97.3	Very high	98.2	Very high	50 Å²	50	41.3 Å²	41.3	26%	0.262	24%	0.241	S	C	.	.			trans	-104	140.7	172	-61.7	177	0	0	0	112.1	C104 Q280	C104-L284 PolarHBondContact SG-N 3.03Å; C104-L284 PolarHBondContact SG-O 3.03Å; Q280-L284 PolarHBondContact NE2-O 3.34Å; Q280-L284 WeakPolarHBondContact O-CA 3.32Å; Q280-L284 WeakPolarHBondContact O-CB 3.43Å; Q280-L284 PolarHBondContact O-N 3.41Å
285	P	97.1	Very high	98.3	Very high	54 Å²	54	41.3 Å²	41.3	35%	0.351	24%	0.241	S	C	.	.			trans	-58.5	153.9	174.3	-20.6	32.2	0	0	0	111.9	L106 G287 H292	L106-P285 HydrophobicContact CD2-CG 3.95Å; P285-G287 PolarHBondContact O-N 3.18Å; P285-G287 VanDerWaalsContact O-N 3.12Å; P285-H292 PolarHBondContact O-NE2 2.98Å
286	L	98.3	Very high	98.3	Very high	53 Å²	53	41.3 Å²	41.3	28%	0.277	24%	0.241	S	C	.	.			trans	-55.6	-30.7	174.8	-70.1	174.5	0	0	0	113.4	F101 D103 Y288 G289 H292	F101-L286 HydrophobicContact CB-CD2 3.98Å; D103-L286 HydrophobicContact CB-CD1 4.27Å; L286-Y288 PolarHBondContact O-N 3.23Å; L286-G289 PolarHBondContact O-N 3.11Å; L286-G289 VanDerWaalsContact O-N 3.16Å; L286-H292 PolarHBondContact O-CE1 3.27Å
287	G	97.2	Very high	98.3	Very high	45 Å²	45	41.3 Å²	41.3	46%	0.464	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	60.3	16.2	171.1	0	0	0	0	0	115.6	P285 G289 G290	P285-G287 PolarHBondContact O-N 3.18Å; P285-G287 VanDerWaalsContact O-N 3.12Å; G287-G289 PolarHBondContact O-N 2.93Å; G287-G289 VanDerWaalsContact O-N 3.08Å; G287-G290 WeakPolarHBondContact CA-O 3.47Å; G287-G290 PolarHBondContact O-N 3.26Å
288	Y	98.2	Very high	98.2	Very high	244 Å²	244	41.3 Å²	41.3	96%	0.957	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	46.7	36.8	-170.8	-161.1	-115.3	0	0	0	112.9	L286	L286-Y288 PolarHBondContact O-N 3.23Å
289	G	98.1	Very high	98.1	Very high	46 Å²	46	40.9 Å²	40.9	47%	0.474	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	124	-22.7	179.2	0	0	0	0	0	114.9	L286 G287	L286-G289 PolarHBondContact O-N 3.11Å; L286-G289 VanDerWaalsContact O-N 3.16Å; G287-G289 PolarHBondContact O-N 2.93Å; G287-G289 VanDerWaalsContact O-N 3.08Å
290	G	97.7	Very high	97.8	Very high	27 Å²	27	44.2 Å²	44.2	28%	0.278	26%	0.255	S	S	.	.			trans	171.6	-176	-179.8	0	0	0	0	0	115.1	G287	G287-G290 WeakPolarHBondContact CA-O 3.47Å; G287-G290 PolarHBondContact O-N 3.26Å
291	P	98.1	Very high	97.2	Very high	121 Å²	121	51.1 Å²	51.1	79%	0.786	28%	0.281	S	S	*	.			cis	-83.8	139.9	3.9	32.9	-34.5	0	0	0	112.9
292	H	98.5	Very high	96.5	Very high	16 Å²	16	49.8 Å²	49.8	7%	0.074	28%	0.276	C	S	.	.			trans	-133.5	132.1	175.2	-52.8	127.8	0	0	0	110	F101 Q280 P285 L286 A294	F101-H292 AromaticContact CE1-ND1 3.82Å; Q280-H292 HydrophobicContact CB-CB 3.93Å; Q280-H292 HydrophobicContact CG-CB 4.46Å; Q280-H292 WeakPolarHBondContact CG-CD2 3.42Å; Q280-H292 VanDerWaalsContact CG-CE1 3.49Å; Q280-H292 WeakPolarHBondContact CG-CE1 3.45Å; Q280-H292 VanDerWaalsContact CG-NE2 3.31Å; Q280-H292 WeakPolarHBondContact CG-NE2 3.26Å; P285-H292 PolarHBondContact O-NE2 2.98Å; L286-H292 PolarHBondContact O-CE1 3.27Å; H292-A294 PolarHBondContact O-N 3.07Å
293	A	98.6	Very high	95.8	Very high	32 Å²	32	53 Å²	53	26%	0.264	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-68.8	119.3	173.4	0	0	0	0	0	109.4	F142 A279	F142-A293 HydrophobicContact CE2-CB 4.29Å; F142-A293 HydrophobicContact CZ-CB 4.32Å; A279-A293 VanDerWaalsContact CB-O 3.3Å; A279-A293 WeakPolarHBondContact CB-O 3.42Å; A279-A293 PolarHBondContact N-O 3.24Å
294	A	98.9	Very high	95	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	147.2	164.1	0	0	0	0	0	110.2	S158 L159 D161 A165 G277 H292	S158-A294 CarbonylContact C-O 3.49Å; S158-A294 WeakPolarHBondContact CA-O 3.47Å; L159-A294 HydrophobicContact CB-CB 4.08Å; L159-A294 PolarHBondContact N-O 3.02Å; L159-A294 PolarHBondContact O-N 3Å; L159-A294 VanDerWaalsContact O-N 3.13Å; D161-A294 VanDerWaalsContact O-CB 3.23Å; D161-A294 WeakPolarHBondContact O-CB 3.37Å; A165-A294 HydrophobicContact CB-CB 4.12Å; G277-A294 CarbonylContact O-C 3.51Å; G277-A294 WeakPolarHBondContact O-CA 3.35Å; G277-A294 WeakPolarHBondContact O-CB 3.43Å; H292-A294 PolarHBondContact O-N 3.07Å
295	F	98.8	Very high	94.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	151.3	174.1	66.2	-92.8	0	0	0	110.9	F142 V146 T150 T256 L258 V276 G277	F142-F295 HydrophobicContact CZ-CB 4.02Å; V146-F295 HydrophobicContact CB-CB 4.34Å; V146-F295 HydrophobicContact CG1-CB 3.78Å; V146-F295 HydrophobicContact CG1-CD2 3.7Å; V146-F295 HydrophobicContact CG1-CG 3.98Å; V146-F295 HydrophobicContact CG2-CB 3.55Å; V146-F295 HydrophobicContact CG2-CG 4.18Å; T150-F295 HydrophobicContact CG2-CD2 4.38Å; T150-F295 HydrophobicContact CG2-CE2 3.84Å; T150-F295 HydrophobicContact CG2-CZ 4.48Å; T256-F295 HydrophobicContact CG2-CE2 4.03Å; T256-F295 HydrophobicContact CG2-CZ 3.68Å; L258-F295 HydrophobicContact CD1-CD1 3.81Å; L258-F295 HydrophobicContact CD1-CE1 3.99Å; L258-F295 HydrophobicContact CD2-CD1 3.98Å; L258-F295 HydrophobicContact CD2-CD2 4.42Å; L258-F295 HydrophobicContact CD2-CE1 3.69Å; L258-F295 HydrophobicContact CD2-CE2 4.15Å; L258-F295 HydrophobicContact CD2-CG 4.34Å; L258-F295 HydrophobicContact CD2-CZ 3.78Å; L258-F295 HydrophobicContact CG-CD1 3.83Å; L258-F295 HydrophobicContact CG-CE1 3.48Å; L258-F295 VanDerWaalsContact CG-CE1 3.48Å; L258-F295 HydrophobicContact CG-CZ 4.04Å; V276-F295 WeakPolarHBondContact CA-O 3.44Å; V276-F295 WeakPolarHBondContact O-CE2 3.38Å; V276-F295 WeakPolarHBondContact O-CZ 3.43Å; G277-F295 VanDerWaalsContact C-CD1 3.42Å; G277-F295 VanDerWaalsContact N-CZ 3.34Å; G277-F295 PolarHBondContact N-O 2.94Å; G277-F295 VanDerWaalsContact O-CD1 3.27Å; G277-F295 WeakPolarHBondContact O-CD1 3.19Å; G277-F295 PolarHBondContact O-N 3.23Å
296	F	98.8	Very high	94	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	112.1	174.9	-168.4	-74	0	0	0	108.7	S155 N156 L159 E168 A169 L172 V274 V276 V298 M311 P312	S155-F296 WeakPolarHBondContact CA-O 3.32Å; S155-F296 PolarHBondContact OG-O 2.95Å; N156-F296 PolarHBondContact N-O 3.42Å; N156-F296 PolarHBondContact OD1-N 3.14Å; L159-F296 HydrophobicContact CD1-CB 3.82Å; L159-F296 HydrophobicContact CD1-CD2 3.64Å; L159-F296 HydrophobicContact CD1-CG 4.06Å; L159-F296 HydrophobicContact CG-CB 4.24Å; E168-F296 HydrophobicContact CB-CE2 4.11Å; A169-F296 HydrophobicContact CB-CE2 3.7Å; A169-F296 HydrophobicContact CB-CZ 4.11Å; L172-F296 HydrophobicContact CB-CZ 4.49Å; L172-F296 HydrophobicContact CD1-CE1 3.77Å; L172-F296 HydrophobicContact CD1-CZ 3.69Å; V274-F296 HydrophobicContact CG1-CD1 4.29Å; V274-F296 HydrophobicContact CG1-CD2 4.49Å; V274-F296 HydrophobicContact CG1-CE1 3.68Å; V274-F296 HydrophobicContact CG1-CE2 3.93Å; V274-F296 HydrophobicContact CG1-CZ 3.47Å; V274-F296 VanDerWaalsContact CG1-CZ 3.47Å; V276-F296 HydrophobicContact CG1-CB 4.5Å; V276-F296 HydrophobicContact CG1-CD2 3.38Å; V276-F296 HydrophobicContact CG1-CE2 3.74Å; V276-F296 HydrophobicContact CG1-CG 4.05Å; F296-V298 HydrophobicContact CD1-CG1 4.15Å; F296-V298 HydrophobicContact CE1-CG1 3.65Å; F296-M311 HydrophobicContact CD1-CE 4.28Å; F296-M311 HydrophobicContact CE1-CG 4.41Å; F296-M311 WeakPolarHBondContact O-CE 3.35Å; F296-P312 HydrophobicContact CD1-CG 4.14Å; F296-P312 HydrophobicContact CD2-CG 3.93Å; F296-P312 HydrophobicContact CE1-CG 4.18Å; F296-P312 HydrophobicContact CE2-CG 3.95Å; F296-P312 HydrophobicContact CG-CG 4.02Å; F296-P312 HydrophobicContact CZ-CG 4.08Å
297	A	98.7	Very high	93.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.1	-179	0	0	0	0	0	111.8	V146 M152 T154 V274 A275	V146-A297 HydrophobicContact CG1-CB 3.87Å; M152-A297 HydrophobicContact CB-CB 3.65Å; M152-A297 HydrophobicContact CG-CB 3.93Å; T154-A297 CarbonylContact O-C 3.48Å; T154-A297 WeakPolarHBondContact O-CA 3.46Å; V274-A297 CarbonylContact C-O 3.48Å; V274-A297 VanDerWaalsContact CA-O 3.26Å; V274-A297 WeakPolarHBondContact CA-O 3.37Å; A275-A297 PolarHBondContact N-O 2.99Å; A275-A297 PolarHBondContact O-N 3.1Å
298	V	98.4	Very high	93.7	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.4	-178.7	-55.6	0	0	0	0	111.4	M152 G153 T154 L172 D273 V274 F296 L307 I308 M311	M152-V298 VanDerWaalsContact CE-C 3.48Å; G153-V298 PolarHBondContact N-O 3.19Å; T154-V298 PolarHBondContact N-O 3.19Å; T154-V298 VanDerWaalsContact N-O 3.11Å; T154-V298 PolarHBondContact O-N 2.82Å; L172-V298 HydrophobicContact CD1-CG1 4.47Å; D273-V298 CarbonylContact O-C 3.53Å; D273-V298 WeakPolarHBondContact O-CA 3.44Å; V274-V298 HydrophobicContact CG2-CG1 4.22Å; F296-V298 HydrophobicContact CD1-CG1 4.15Å; F296-V298 HydrophobicContact CE1-CG1 3.65Å; V298-L307 HydrophobicContact CB-CB 3.8Å; V298-L307 HydrophobicContact CB-CD1 4.24Å; V298-L307 HydrophobicContact CG1-CB 4.17Å; V298-L307 HydrophobicContact CG2-CB 3.94Å; V298-I308 HydrophobicContact CG2-CG1 4Å; V298-M311 HydrophobicContact CB-CG 4.37Å; V298-M311 HydrophobicContact CB-SD 4.36Å; V298-M311 HydrophobicContact CG1-CE 4.42Å; V298-M311 HydrophobicContact CG1-CG 3.56Å; V298-M311 HydrophobicContact CG1-SD 4.05Å; V298-M311 HydrophobicContact CG2-CE 4.38Å; V298-M311 HydrophobicContact CG2-CG 3.85Å; V298-M311 HydrophobicContact CG2-SD 3.42Å; V298-M311 WeakPolarHBondContact CG2-SD 3.46Å
299	S	96.7	Very high	93.5	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.021	30%	0.297	C	S	.	.			trans	-81.6	142.9	-179.5	-178	0	0	0	0	111.6	M152 A272 D273 R301	M152-S299 VanDerWaalsContact CE-N 3.31Å; A272-S299 WeakPolarHBondContact O-CB 3.48Å; D273-S299 PolarHBondContact O-N 3.07Å; S299-R301 PolarHBondContact O-N 2.87Å; S299-R301 WeakPolarHBondContact OG-CB 3.24Å; S299-R301 WeakPolarHBondContact OG-CG 3.49Å; S299-R301 PolarHBondContact OG-N 2.99Å
300	D	91.7	Very high	93.3	Very high	78 Å²	78	58.3 Å²	58.3	42%	0.417	28%	0.28	S	S	.	.	S	Bend	trans	-76.6	-11.9	172.1	-65.2	-26.1	0	0	0	112.8	G153 R304 G305	G153-D300 VanDerWaalsContact CA-OD2 3.26Å; G153-D300 WeakPolarHBondContact CA-OD2 3.22Å; D300-R304 CarbonylContact O-C 3.58Å; D300-R304 WeakPolarHBondContact O-CA 3.43Å; D300-G305 PolarHBondContact O-N 2.99Å
301	R	86.2	Confident	93.2	Very high	147 Å²	147	58 Å²	58	56%	0.555	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-39	-174.8	-60.5	172	-144.3	178	5.6	112	G268 S299 K303	G268-R301 VanDerWaalsContact C-NH2 3.32Å; G268-R301 PolarHBondContact O-NH1 3.43Å; G268-R301 PolarHBondContact O-NH2 3.14Å; S299-R301 PolarHBondContact O-N 2.87Å; S299-R301 WeakPolarHBondContact OG-CB 3.24Å; S299-R301 WeakPolarHBondContact OG-CG 3.49Å; S299-R301 PolarHBondContact OG-N 2.99Å; R301-K303 PolarHBondContact O-N 2.99Å
302	Y	82.5	Confident	93.1	Very high	40 Å²	40	53 Å²	53	16%	0.157	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	108.1	-174.6	-175.8	-90.2	0	0	0	111.4	V176 I177 L251 R304 G305 S306 L307	V176-Y302 HydrophobicContact CG1-CE1 3.59Å; I177-Y302 HydrophobicContact CD1-CE2 4.33Å; I177-Y302 VanDerWaalsContact CD1-OH 3.28Å; I177-Y302 WeakPolarHBondContact CD1-OH 3.48Å; L251-Y302 HydrophobicContact CD2-CD2 3.42Å; L251-Y302 VanDerWaalsContact CD2-CD2 3.42Å; L251-Y302 HydrophobicContact CD2-CE2 3.42Å; L251-Y302 VanDerWaalsContact CD2-CE2 3.42Å; L251-Y302 HydrophobicContact CD2-CG 4.03Å; Y302-R304 PolarHBondContact O-N 2.72Å; Y302-R304 VanDerWaalsContact O-N 3.16Å; Y302-G305 PolarHBondContact O-N 2.63Å; Y302-S306 VanDerWaalsContact CD1-OG 3.28Å; Y302-S306 WeakPolarHBondContact CD1-OG 3.29Å; Y302-S306 PolarHBondContact O-N 2.81Å; Y302-S306 PolarHBondContact O-OG 3.49Å; Y302-S306 VanDerWaalsContact O-OG 3.12Å; Y302-L307 HydrophobicContact CD1-CD1 4.3Å; Y302-L307 HydrophobicContact CD1-CD2 3.47Å; Y302-L307 VanDerWaalsContact CD1-CD2 3.47Å; Y302-L307 HydrophobicContact CD1-CG 3.67Å; Y302-L307 HydrophobicContact CE1-CD2 3.95Å; Y302-L307 HydrophobicContact CG-CD1 4.17Å; Y302-L307 HydrophobicContact CG-CD2 4.09Å; Y302-L307 HydrophobicContact CG-CG 4.03Å
303	K	83.3	Confident	93	Very high	146 Å²	146	55.1 Å²	55.1	64%	0.635	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	44	45.4	-176.8	-57.6	176.6	178.2	166.8	0	112.5	R301 S306	R301-K303 PolarHBondContact O-N 2.99Å; K303-S306 WeakPolarHBondContact CB-OG 3.45Å
304	R	82.6	Confident	93	Very high	243 Å²	243	60.2 Å²	60.2	92%	0.917	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	60.8	178.5	-58.4	179.4	-177.3	174.3	-0.1	113	D300 Y302 S306	D300-R304 CarbonylContact O-C 3.58Å; D300-R304 WeakPolarHBondContact O-CA 3.43Å; Y302-R304 PolarHBondContact O-N 2.72Å; Y302-R304 VanDerWaalsContact O-N 3.16Å; R304-S306 PolarHBondContact O-N 2.78Å
305	G	82.9	Confident	92.9	Very high	13 Å²	13	63.6 Å²	63.6	13%	0.134	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	14.6	173.9	0	0	0	0	0	115.3	D300 Y302 L307 I308	D300-G305 PolarHBondContact O-N 2.99Å; Y302-G305 PolarHBondContact O-N 2.63Å; G305-L307 PolarHBondContact O-N 2.93Å; G305-L307 VanDerWaalsContact O-N 3.16Å; G305-I308 WeakPolarHBondContact O-CB 3.31Å; G305-I308 WeakPolarHBondContact O-CG1 3.28Å; G305-I308 PolarHBondContact O-N 2.73Å
306	S	90.5	Very high	92.9	Very high	43 Å²	43	64.6 Å²	64.6	30%	0.301	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-63.4	-23.4	-177.3	69.4	0	0	0	0	113.9	Y302 K303 R304 I308 R309	Y302-S306 VanDerWaalsContact CD1-OG 3.28Å; Y302-S306 WeakPolarHBondContact CD1-OG 3.29Å; Y302-S306 PolarHBondContact O-N 2.81Å; Y302-S306 PolarHBondContact O-OG 3.49Å; Y302-S306 VanDerWaalsContact O-OG 3.12Å; K303-S306 WeakPolarHBondContact CB-OG 3.45Å; R304-S306 PolarHBondContact O-N 2.78Å; S306-I308 PolarHBondContact O-N 3.45Å; S306-R309 PolarHBondContact O-N 3.45Å
307	L	95.3	Very high	92.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-64.5	-25.9	179.1	-63.6	-178.5	0	0	0	112.9	L172 V176 L251 D273 V298 Y302 G305 R309 A310 M311	L172-L307 HydrophobicContact CD2-CD2 4.15Å; V176-L307 HydrophobicContact CG1-CD2 4Å; V176-L307 HydrophobicContact CG2-CD2 4.14Å; L251-L307 HydrophobicContact CD1-CD2 3.94Å; D273-L307 HydrophobicContact CB-CD1 4.08Å; D273-L307 WeakPolarHBondContact O-CD1 3.47Å; V298-L307 HydrophobicContact CB-CB 3.8Å; V298-L307 HydrophobicContact CB-CD1 4.24Å; V298-L307 HydrophobicContact CG1-CB 4.17Å; V298-L307 HydrophobicContact CG2-CB 3.94Å; Y302-L307 HydrophobicContact CD1-CD1 4.3Å; Y302-L307 HydrophobicContact CD1-CD2 3.47Å; Y302-L307 VanDerWaalsContact CD1-CD2 3.47Å; Y302-L307 HydrophobicContact CD1-CG 3.67Å; Y302-L307 HydrophobicContact CE1-CD2 3.95Å; Y302-L307 HydrophobicContact CG-CD1 4.17Å; Y302-L307 HydrophobicContact CG-CD2 4.09Å; Y302-L307 HydrophobicContact CG-CG 4.03Å; G305-L307 PolarHBondContact O-N 2.93Å; G305-L307 VanDerWaalsContact O-N 3.16Å; L307-R309 PolarHBondContact O-N 2.78Å; L307-A310 PolarHBondContact O-N 3.29Å; L307-M311 PolarHBondContact O-N 3.42Å
308	I	94.2	Very high	92.5	Very high	60 Å²	60	75.5 Å²	75.5	31%	0.308	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-55.7	-37.5	179.5	-60.3	169.9	0	0	0	110.8	T154 V298 G305 S306 A310 M311 I315	T154-I308 HydrophobicContact CG2-CG1 4.31Å; T154-I308 HydrophobicContact CG2-CG2 4.35Å; T154-I308 WeakPolarHBondContact OG1-CD1 3.33Å; V298-I308 HydrophobicContact CG2-CG1 4Å; G305-I308 WeakPolarHBondContact O-CB 3.31Å; G305-I308 WeakPolarHBondContact O-CG1 3.28Å; G305-I308 PolarHBondContact O-N 2.73Å; S306-I308 PolarHBondContact O-N 3.45Å; I308-A310 PolarHBondContact O-N 3.27Å; I308-M311 HydrophobicContact CB-SD 4.49Å; I308-M311 HydrophobicContact CG2-SD 4.4Å; I308-M311 WeakPolarHBondContact O-CB 3.49Å; I308-M311 PolarHBondContact O-N 3.3Å; I308-I315 HydrophobicContact CG2-CD1 4.35Å
309	R	92.4	Very high	92.3	Very high	242 Å²	242	80.8 Å²	80.8	91%	0.913	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-71	-18.2	179.9	-61.1	-175.6	-177.8	-174.2	-0	113.8	S306 L307	S306-R309 PolarHBondContact O-N 3.45Å; L307-R309 PolarHBondContact O-N 2.78Å
310	A	94.1	Very high	92.1	Very high	14 Å²	14	93.7 Å²	93.7	12%	0.116	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-101.4	-4.3	179.3	0	0	0	0	0	112.7	L172 V176 L307 I308	L172-A310 HydrophobicContact CD1-CB 4.1Å; L172-A310 WeakPolarHBondContact CD1-O 3.35Å; L172-A310 HydrophobicContact CG-CB 3.99Å; V176-A310 HydrophobicContact CG2-CB 3.77Å; L307-A310 PolarHBondContact O-N 3.29Å; I308-A310 PolarHBondContact O-N 3.27Å
311	M	95.4	Very high	92.1	Very high	19 Å²	19	94.5 Å²	94.5	9%	0.094	47%	0.467	C	S	.	.			trans	-61	136.8	-178.7	-75.7	179	77.1	0	0	111.9	T154 N156 F296 V298 L307 I308 I315	T154-M311 HydrophobicContact CG2-CE 4.3Å; T154-M311 HydrophobicContact CG2-SD 3.86Å; N156-M311 HydrophobicContact CB-CE 3.84Å; N156-M311 VanDerWaalsContact N-CE 3.33Å; F296-M311 HydrophobicContact CD1-CE 4.28Å; F296-M311 HydrophobicContact CE1-CG 4.41Å; F296-M311 WeakPolarHBondContact O-CE 3.35Å; V298-M311 HydrophobicContact CB-CG 4.37Å; V298-M311 HydrophobicContact CB-SD 4.36Å; V298-M311 HydrophobicContact CG1-CE 4.42Å; V298-M311 HydrophobicContact CG1-CG 3.56Å; V298-M311 HydrophobicContact CG1-SD 4.05Å; V298-M311 HydrophobicContact CG2-CE 4.38Å; V298-M311 HydrophobicContact CG2-CG 3.85Å; V298-M311 HydrophobicContact CG2-SD 3.42Å; V298-M311 WeakPolarHBondContact CG2-SD 3.46Å; L307-M311 PolarHBondContact O-N 3.42Å; I308-M311 HydrophobicContact CB-SD 4.49Å; I308-M311 HydrophobicContact CG2-SD 4.4Å; I308-M311 WeakPolarHBondContact O-CB 3.49Å; I308-M311 PolarHBondContact O-N 3.3Å; M311-I315 HydrophobicContact CB-CD1 4.07Å; M311-I315 HydrophobicContact CE-CD1 4.25Å; M311-I315 HydrophobicContact SD-CD1 3.81Å
312	P	97.4	Very high	92.4	Very high	18 Å²	18	91.7 Å²	91.7	12%	0.117	46%	0.462	C	S	.	.			trans	-77.2	155.2	172.6	35	-38.3	0	0	0	111.4	N156 L159 E168 F296	N156-P312 PolarHBondContact ND2-O 3.49Å; L159-P312 HydrophobicContact CD1-CG 3.87Å; L159-P312 HydrophobicContact CD2-CB 4.03Å; L159-P312 HydrophobicContact CD2-CG 4.01Å; L159-P312 HydrophobicContact CG-CG 4.49Å; E168-P312 HydrophobicContact CB-CB 4.28Å; E168-P312 HydrophobicContact CB-CG 3.95Å; E168-P312 HydrophobicContact CG-CB 4.08Å; E168-P312 HydrophobicContact CG-CG 4.19Å; F296-P312 HydrophobicContact CD1-CG 4.14Å; F296-P312 HydrophobicContact CD2-CG 3.93Å; F296-P312 HydrophobicContact CE1-CG 4.18Å; F296-P312 HydrophobicContact CE2-CG 3.95Å; F296-P312 HydrophobicContact CG-CG 4.02Å; F296-P312 HydrophobicContact CZ-CG 4.08Å
313	G	96.6	Very high	93	Very high	59 Å²	59	94.6 Å²	94.6	61%	0.608	48%	0.479	S	S	*	.	S	Bend	trans	82.7	-164.9	172.7	0	0	0	0	0	114.3
314	R	97.9	Very high	93.6	Very high	139 Å²	139	91.6 Å²	91.6	53%	0.525	47%	0.47	S	S	.	.			trans	-92.3	150.9	179.8	-67.7	174.5	-68.8	-88.6	-3.8	109.7	N156 A157	N156-R314 WeakPolarHBondContact CB-O 3.42Å; A157-R314 HydrophobicContact CB-CB 4.32Å; A157-R314 WeakPolarHBondContact CB-O 3.35Å; A157-R314 PolarHBondContact N-O 3.23Å
315	I	97.1	Very high	94.2	Very high	71 Å²	71	82.1 Å²	82.1	36%	0.364	44%	0.442	S	S	.	.			trans	-130.8	127.6	173.8	-57	174.9	0	0	0	106.4	T154 N156 I308 M311	T154-I315 HydrophobicContact CG2-CG2 4.45Å; N156-I315 HydrophobicContact CB-CG1 4.21Å; I308-I315 HydrophobicContact CG2-CD1 4.35Å; M311-I315 HydrophobicContact CB-CD1 4.07Å; M311-I315 HydrophobicContact CE-CD1 4.25Å; M311-I315 HydrophobicContact SD-CD1 3.81Å
316	V	97.6	Very high	95	Very high	22 Å²	22	86.7 Å²	86.7	13%	0.133	46%	0.463	C	S	.	.			trans	-82.7	132.2	169	-172.5	0	0	0	0	108.2	L136 L139 M140 Q143 A157	L136-V316 HydrophobicContact CB-CG1 4.25Å; L136-V316 HydrophobicContact CD2-CG1 4.05Å; L136-V316 HydrophobicContact CD2-CG2 3.97Å; L139-V316 HydrophobicContact CB-CG2 3.69Å; L139-V316 HydrophobicContact CD1-CG2 4.28Å; M140-V316 HydrophobicContact CB-CG1 4.47Å; M140-V316 HydrophobicContact CE-CB 4.23Å; M140-V316 HydrophobicContact CE-CG1 3.8Å; Q143-V316 PolarHBondContact NE2-O 2.87Å; Q143-V316 VanDerWaalsContact NE2-O 3.08Å; A157-V316 HydrophobicContact CB-CG2 4.4Å
317	G	95.9	Very high	95.3	Very high	58 Å²	58	89.9 Å²	89.9	60%	0.598	47%	0.474	S	S	*	.			trans	-125.4	147.1	176.8	0	0	0	0	0	110.7
318	L	93.8	Very high	95.3	Very high	170 Å²	170	96.8 Å²	96.8	89%	0.89	51%	0.511	S	S	*	.			trans	-74.5	135.6	172.2	-164	76.7	0	0	0	109.5
319	S	95.4	Very high	95.4	Very high	112 Å²	112	99.8 Å²	99.8	78%	0.783	53%	0.528	S	S	*	.			trans	-135.2	169.7	177.2	-168.5	0	0	0	0	110.8
320	K	91.4	Very high	95.7	Very high	274 Å²	274	86.9 Å²	86.9	100%	1.191	49%	0.493	S	S	*	.			trans	-114.5	0	169.8	-68.7	-177.5	179.7	-178.8	0	110.3

Retrieved 320 of 320 residues in 1801.5 ms (Link to these results)

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