A0A096NHR1_PAPAN Loading...

Mitogen-activated protein kinase

AlphaFold DB (A0A1D5QZ91), UniProt , Accession A0A096NHR1, Species PAPAN (Papio anubis, Olive baboon), Gene MAPK3, Length 379 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	29.4	Very low	253 Å²	253	119.5 Å²	119.5	100%	1.246	91%	0.908	S	S	*	*				0	123.6	0	-76.6	-166.6	-99.9	0	0	107
2	A	29.6	Very low	29.4	Very low	103 Å²	103	115.6 Å²	115.6	85%	0.851	90%	0.895	S	S	*	*			cis	-154.8	154.5	-6.7	0	0	0	0	0	105.7
3	A	25.5	Very low	29.8	Very low	102 Å²	102	120.9 Å²	120.9	84%	0.843	89%	0.892	S	S	*	*			trans	-77.9	159.2	-175.8	0	0	0	0	0	113.5
4	A	28.6	Very low	30.1	Very low	106 Å²	106	121.1 Å²	121.1	88%	0.876	89%	0.886	S	S	*	*			trans	-162.5	132.9	134.9	0	0	0	0	0	110.8
5	A	29	Very low	30.4	Very low	103 Å²	103	129.7 Å²	129.7	85%	0.851	89%	0.89	S	S	*	*			trans	-98	156.9	178.6	0	0	0	0	0	111.2
6	A	29.9	Very low	30.5	Very low	106 Å²	106	136.4 Å²	136.4	88%	0.876	89%	0.89	S	S	*	*			trans	-159.5	142.3	146.4	0	0	0	0	0	111.3
7	Q	28.5	Very low	30.8	Very low	202 Å²	202	134.3 Å²	134.3	94%	0.944	89%	0.887	S	S	*	*			trans	-92.8	167.5	-169.2	-64.3	170.8	-3.6	0	0	113.5
8	G	28.1	Very low	30.9	Very low	80 Å²	80	137.4 Å²	137.4	83%	0.825	89%	0.887	S	S	*	*			trans	136.7	110.8	161.3	0	0	0	0	0	109.8
9	G	28.8	Very low	30.9	Very low	87 Å²	87	134 Å²	134	90%	0.897	88%	0.879	S	S	*	*			cis	108.6	97.4	41.7	0	0	0	0	0	107.3
10	G	28.3	Very low	31.4	Very low	80 Å²	80	134.7 Å²	134.7	83%	0.825	88%	0.88	S	S	*	*			trans	166.2	86.8	178	0	0	0	0	0	112.9	G12	G10-G12 PolarHBondContact O-N 2.76Å
11	G	34.3	Very low	31.6	Very low	93 Å²	93	130.6 Å²	130.6	96%	0.959	86%	0.862	S	S	*	*			trans	-67.5	121.3	167.7	0	0	0	0	0	110.3
12	G	29.9	Very low	32	Very low	72 Å²	72	124.7 Å²	124.7	74%	0.742	84%	0.843	S	S	*	*			trans	-115.8	113.7	166.5	0	0	0	0	0	108.6	G10	G10-G12 PolarHBondContact O-N 2.76Å
13	E	34.3	Very low	32.6	Very low	185 Å²	185	122.9 Å²	122.9	86%	0.864	83%	0.834	S	S	*	*			trans	-55.3	146.4	168.8	-69.1	179.3	140.8	0	0	110.8	R15	E13-R15 PolarHBondContact O-N 3.26Å; E13-R15 VanDerWaalsContact O-N 3.15Å
14	P	34.4	Very low	33.5	Very low	123 Å²	123	122.7 Å²	122.7	80%	0.799	82%	0.822	S	S	*	*			trans	-67.3	116.3	172	26.3	-29.7	0	0	0	109.3	R16	P14-R16 PolarHBondContact O-N 3.04Å
15	R	33.9	Very low	34.3	Very low	251 Å²	251	123.5 Å²	123.5	95%	0.947	82%	0.819	S	S	*	*			trans	-53.8	114.5	169.7	-77	-177.9	175	179.5	-2.3	108.8	E13 A17	E13-R15 PolarHBondContact O-N 3.26Å; E13-R15 VanDerWaalsContact O-N 3.15Å; R15-A17 PolarHBondContact O-N 2.84Å
16	R	31.4	Very low	35.7	Very low	236 Å²	236	122.3 Å²	122.3	89%	0.891	82%	0.817	S	S	*	*			trans	-53.9	131.7	166.6	-74.5	178.9	173	-177.4	-2.2	108.3	P14 E18	P14-R16 PolarHBondContact O-N 3.04Å; R16-E18 PolarHBondContact O-N 3.21Å; R16-E18 VanDerWaalsContact O-N 3.15Å
17	A	35.6	Very low	37.8	Very low	101 Å²	101	124.4 Å²	124.4	84%	0.835	81%	0.808	S	S	*	*			trans	-55.5	117.8	166.8	0	0	0	0	0	108.3	R15 G19	R15-A17 PolarHBondContact O-N 2.84Å; A17-G19 PolarHBondContact O-N 3.23Å; A17-G19 VanDerWaalsContact O-N 3.08Å
18	E	32.8	Very low	40.6	Very low	191 Å²	191	117.9 Å²	117.9	89%	0.893	78%	0.782	S	S	*	*			trans	-63.9	109.7	170.9	-73.6	-179.4	160.8	0	0	107.8	R16 V20	R16-E18 PolarHBondContact O-N 3.21Å; R16-E18 VanDerWaalsContact O-N 3.15Å; E18-V20 PolarHBondContact O-N 2.95Å
19	G	32.2	Very low	43.7	Very low	72 Å²	72	116.9 Å²	116.9	74%	0.742	76%	0.756	S	S	*	*			trans	-64.8	126.7	169.2	0	0	0	0	0	109.2	A17 G21	A17-G19 PolarHBondContact O-N 3.23Å; A17-G19 VanDerWaalsContact O-N 3.08Å; G19-G21 PolarHBondContact O-N 2.93Å; G19-G21 VanDerWaalsContact O-N 3.11Å
20	V	40.7	Very low	46.8	Very low	148 Å²	148	118.5 Å²	118.5	90%	0.897	74%	0.742	S	S	*	*			trans	-60.8	112.5	168.8	-176.8	0	0	0	0	107.2	E18	E18-V20 PolarHBondContact O-N 2.95Å
21	G	35.1	Very low	49.9	Very low	49 Å²	49	115.2 Å²	115.2	51%	0.505	71%	0.705	S	S	.	*	P	Polyproline II helix	trans	-62.2	158.2	176.6	0	0	0	0	0	111.7	G19 G23	G19-G21 PolarHBondContact O-N 2.93Å; G19-G21 VanDerWaalsContact O-N 3.11Å; G21-G23 PolarHBondContact O-N 3Å
22	P	40.9	Very low	52.6	Low	128 Å²	128	118.4 Å²	118.4	83%	0.831	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-61.4	123.7	174.3	26.2	-31.1	0	0	0	109.2
23	G	42.7	Very low	55.5	Low	66 Å²	66	117.9 Å²	117.9	68%	0.68	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-57.4	146.1	-177.5	0	0	0	0	0	113.1	G21	G21-G23 PolarHBondContact O-N 3Å
24	V	44.8	Very low	58.1	Low	97 Å²	97	112.2 Å²	112.2	59%	0.588	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-67.9	135.3	176.8	-175.1	0	0	0	0	109.2	G26 E27	V24-G26 PolarHBondContact O-N 2.88Å; V24-G26 VanDerWaalsContact O-N 3.09Å; V24-E27 PolarHBondContact O-N 2.88Å
25	P	45.5	Very low	60.9	Low	123 Å²	123	109.3 Å²	109.3	80%	0.799	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	115.6	176.8	-20.8	31	0	0	0	111.2
26	G	58.7	Low	63.7	Low	79 Å²	79	97.4 Å²	97.4	81%	0.814	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	111	-4.8	173.3	0	0	0	0	0	116.3	V24	V24-G26 PolarHBondContact O-N 2.88Å; V24-G26 VanDerWaalsContact O-N 3.09Å
27	E	73.4	Confident	66.7	Low	150 Å²	150	90.9 Å²	90.9	70%	0.701	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-85.6	131.3	171.1	-74.6	-171.8	160.5	0	0	111.4	V24 E29	V24-E27 PolarHBondContact O-N 2.88Å; E27-E29 PolarHBondContact O-N 3.18Å
28	V	87.5	Confident	69.6	Low	65 Å²	65	86.3 Å²	86.3	39%	0.394	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-69.1	116.4	173.6	176.5	0	0	0	0	108.7	P35 D37	V28-P35 HydrophobicContact CG1-CB 3.71Å; V28-D37 HydrophobicContact CG1-CB 4.24Å; V28-D37 HydrophobicContact CG2-CB 4.31Å
29	E	93.1	Very high	72.5	Confident	58 Å²	58	79.5 Å²	79.5	27%	0.271	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	142.7	177	-73.9	-174	-133.8	0	0	110.8	E27 F36 T43 Q44 L45	E27-E29 PolarHBondContact O-N 3.18Å; E29-F36 PolarHBondContact O-N 3.13Å; E29-T43 WeakPolarHBondContact OE1-CA 3.34Å; E29-T43 WeakPolarHBondContact OE1-CB 3.21Å; E29-Q44 PolarHBondContact OE1-N 3.12Å; E29-Q44 PolarHBondContact OE2-N 3.44Å; E29-L45 HydrophobicContact CB-CD1 3.59Å; E29-L45 HydrophobicContact CG-CD1 4.38Å; E29-L45 WeakPolarHBondContact OE2-CB 3.45Å; E29-L45 PolarHBondContact OE2-N 3.45Å
30	M	93.3	Very high	75.4	Confident	121 Å²	121	81.3 Å²	81.3	60%	0.596	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	126	179.3	-65.9	-69.1	-74.3	0	0	110.4	G33 Q34 P35	M30-G33 VanDerWaalsContact CE-O 3.31Å; M30-G33 WeakPolarHBondContact CE-O 3.41Å; M30-Q34 WeakPolarHBondContact CA-O 3.44Å; M30-P35 WeakPolarHBondContact SD-CA 3.17Å; M30-P35 HydrophobicContact SD-CB 3.84Å
31	V	93.2	Very high	78.1	Confident	11 Å²	11	77.2 Å²	77.2	7%	0.067	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.9	175.2	-174.2	0	0	0	0	108.9	G33 Q34 F36 L45 Y47 M55	V31-G33 PolarHBondContact O-N 3.37Å; V31-Q34 PolarHBondContact N-O 3.16Å; V31-Q34 PolarHBondContact O-N 2.9Å; V31-F36 HydrophobicContact CB-CD2 4.31Å; V31-F36 HydrophobicContact CG2-CD2 4.28Å; V31-F36 HydrophobicContact CG2-CG 4.48Å; V31-L45 HydrophobicContact CG2-CB 3.59Å; V31-L45 HydrophobicContact CG2-CD1 3.91Å; V31-L45 HydrophobicContact CG2-CG 4.34Å; V31-Y47 HydrophobicContact CG1-CD2 4.24Å; V31-Y47 HydrophobicContact CG1-CG 4.49Å; V31-M55 HydrophobicContact CB-SD 3.94Å; V31-M55 HydrophobicContact CG1-SD 3.74Å
32	K	91.9	Very high	81.1	Confident	160 Å²	160	74.9 Å²	74.9	70%	0.696	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	34.9	-178.4	-65.6	-71.6	-172.7	176.3	0	113.4	Y47 M55	K32-Y47 HydrophobicContact CG-CD2 3.79Å; K32-Y47 HydrophobicContact CG-CE2 4.24Å; K32-Y47 HydrophobicContact CG-CG 4.02Å; K32-M55 HydrophobicContact CB-CE 3.94Å
33	G	89.6	Confident	83.7	Confident	61 Å²	61	70.3 Å²	70.3	63%	0.629	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	5.5	179.4	0	0	0	0	0	115.3	M30 V31	M30-G33 VanDerWaalsContact CE-O 3.31Å; M30-G33 WeakPolarHBondContact CE-O 3.41Å; V31-G33 PolarHBondContact O-N 3.37Å
34	Q	89.9	Confident	86.2	Confident	67 Å²	67	72.2 Å²	72.2	31%	0.313	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.9	173.3	-61.9	-172.2	18.9	0	0	111.4	M30 V31 M55	M30-Q34 WeakPolarHBondContact CA-O 3.44Å; V31-Q34 PolarHBondContact N-O 3.16Å; V31-Q34 PolarHBondContact O-N 2.9Å; Q34-M55 HydrophobicContact CB-CE 4.18Å; Q34-M55 HydrophobicContact CG-CE 3.95Å
35	P	92.4	Very high	88.7	Confident	61 Å²	61	68.6 Å²	68.6	40%	0.396	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	137.2	175.8	27.7	-32.9	0	0	0	111.2	V28 M30 K72	V28-P35 HydrophobicContact CG1-CB 3.71Å; M30-P35 WeakPolarHBondContact SD-CA 3.17Å; M30-P35 HydrophobicContact SD-CB 3.84Å; P35-K72 PolarHBondContact O-NZ 3.06Å
36	F	93.8	Very high	91.1	Very high	1 Å²	1	68.3 Å²	68.3	0%	0.004	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	95.4	174.1	-110.9	-102.4	0	0	0	109.4	E29 V31 V38 L45 M55 I70 K72 Y119	E29-F36 PolarHBondContact O-N 3.13Å; V31-F36 HydrophobicContact CB-CD2 4.31Å; V31-F36 HydrophobicContact CG2-CD2 4.28Å; V31-F36 HydrophobicContact CG2-CG 4.48Å; F36-V38 HydrophobicContact CD1-CG1 4.08Å; F36-V38 HydrophobicContact CD1-CG2 4.44Å; F36-V38 PolarHBondContact O-N 3.08Å; F36-L45 HydrophobicContact CB-CD1 3.42Å; F36-L45 VanDerWaalsContact CB-CD1 3.42Å; F36-L45 HydrophobicContact CD1-CD1 4.08Å; F36-L45 HydrophobicContact CD1-CD2 4.06Å; F36-L45 HydrophobicContact CG-CD1 3.98Å; F36-M55 HydrophobicContact CE2-CB 4.07Å; F36-M55 HydrophobicContact CE2-CG 4.03Å; F36-M55 HydrophobicContact CE2-SD 3.79Å; F36-M55 HydrophobicContact CZ-CB 4.39Å; F36-M55 HydrophobicContact CZ-CG 4.4Å; F36-I70 HydrophobicContact CE1-CB 4.31Å; F36-I70 HydrophobicContact CE1-CG2 4.05Å; F36-K72 HydrophobicContact CD2-CB 4.44Å; F36-K72 HydrophobicContact CD2-CD 3.97Å; F36-K72 HydrophobicContact CE1-CB 3.82Å; F36-K72 HydrophobicContact CE2-CB 3.65Å; F36-K72 HydrophobicContact CE2-CD 3.83Å; F36-K72 HydrophobicContact CE2-CG 4.34Å; F36-K72 HydrophobicContact CZ-CB 3.29Å; F36-K72 HydrophobicContact CZ-CD 4.34Å; F36-K72 HydrophobicContact CZ-CG 4.38Å; F36-Y119 AromaticContact CD1-CD1 4Å; F36-Y119 HydrophobicContact CD1-CD1 4Å; F36-Y119 AromaticContact CD1-CE1 3.87Å; F36-Y119 HydrophobicContact CD1-CE1 3.87Å; F36-Y119 HydrophobicContact CE1-CD1 4.05Å; F36-Y119 HydrophobicContact CE1-CE1 4.24Å; F36-Y119 HydrophobicContact CG-CE1 4.15Å
37	D	93.6	Very high	92.8	Very high	100 Å²	100	69.2 Å²	69.2	54%	0.535	37%	0.372	S	S	.	.			trans	-89.6	80.1	-176.8	-170.3	15.8	0	0	0	111	V28 Y119	V28-D37 HydrophobicContact CG1-CB 4.24Å; V28-D37 HydrophobicContact CG2-CB 4.31Å; D37-Y119 PolarHBondContact N-OH 3.26Å; D37-Y119 VanDerWaalsContact N-OH 3.14Å
38	V	95.6	Very high	93.7	Very high	4 Å²	4	65 Å²	65	2%	0.024	35%	0.353	C	S	.	.			trans	-129.3	-0.2	-174.1	-59.5	0	0	0	0	113.8	F36 Y42 L45 I70 L107 Y119	F36-V38 HydrophobicContact CD1-CG1 4.08Å; F36-V38 HydrophobicContact CD1-CG2 4.44Å; F36-V38 PolarHBondContact O-N 3.08Å; V38-Y42 HydrophobicContact CB-CD2 4.5Å; V38-Y42 WeakPolarHBondContact O-CD2 3.33Å; V38-Y42 PolarHBondContact O-N 3.23Å; V38-L45 HydrophobicContact CG2-CD1 4.13Å; V38-L45 HydrophobicContact CG2-CD2 4.21Å; V38-I70 HydrophobicContact CB-CD1 4.3Å; V38-I70 HydrophobicContact CG1-CD1 4.43Å; V38-I70 HydrophobicContact CG1-CG2 4.23Å; V38-I70 HydrophobicContact CG2-CD1 4.21Å; V38-L107 HydrophobicContact CB-CD1 3.7Å; V38-L107 HydrophobicContact CG1-CD1 3.74Å; V38-Y119 HydrophobicContact CG1-CD1 3.4Å; V38-Y119 HydrophobicContact CG1-CD2 4.26Å; V38-Y119 HydrophobicContact CG1-CE1 3.79Å; V38-Y119 HydrophobicContact CG1-CG 3.67Å
39	G	94.2	Very high	93.7	Very high	48 Å²	48	62.9 Å²	62.9	50%	0.495	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	168.2	175	0	0	0	0	0	112.5	R41	G39-R41 VanDerWaalsContact C-N 3.33Å
40	P	94.5	Very high	93.3	Very high	111 Å²	111	66 Å²	66	72%	0.721	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	cis	-82.7	-5.6	-3.9	34.3	-36	0	0	0	113.4
41	R	96.1	Very high	92.1	Very high	62 Å²	62	62.4 Å²	62.4	23%	0.234	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-43.4	-175.3	177	174.3	-179.5	175.9	8.5	112.8	G39 D61 H62 V63 D105	G39-R41 VanDerWaalsContact C-N 3.33Å; R41-D61 IonicContact CZ-OD1 3.84Å; R41-D61 IonicContact CZ-OD2 3.79Å; R41-D61 IonicContact NE-OD1 3.49Å; R41-D61 PolarHBondContact NE-OD1 3.32Å; R41-D61 IonicContact NE-OD2 2.98Å; R41-D61 IonicContact NH2-OD1 3.02Å; R41-D61 PolarHBondContact NH2-OD1 2.72Å; R41-D61 IonicContact NH2-OD2 3.31Å; R41-D61 PolarHBondContact NH2-OD2 3.01Å; R41-H62 PolarHBondContact O-CD2 3.42Å; R41-H62 PolarHBondContact O-N 3.02Å; R41-V63 HydrophobicContact CG-CG2 4.03Å; R41-D105 IonicContact CZ-OD2 3.55Å; R41-D105 IonicContact NH1-OD2 3.85Å; R41-D105 PolarHBondContact NH1-OD2 2.75Å
42	Y	97.4	Very high	90.6	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.2	-178.8	-56.8	-79	0	0	0	109.5	V38 Y60 D61 V68 I70 D105 L107 V121	V38-Y42 HydrophobicContact CB-CD2 4.5Å; V38-Y42 WeakPolarHBondContact O-CD2 3.33Å; V38-Y42 PolarHBondContact O-N 3.23Å; Y42-Y60 WeakPolarHBondContact CA-O 3.49Å; Y42-D61 HydrophobicContact CD1-CB 3.94Å; Y42-D61 HydrophobicContact CE1-CB 3.66Å; Y42-V68 HydrophobicContact CD1-CG2 3.72Å; Y42-V68 HydrophobicContact CE1-CG2 3.77Å; Y42-I70 HydrophobicContact CD1-CD1 3.89Å; Y42-I70 HydrophobicContact CD2-CD1 4.19Å; Y42-I70 HydrophobicContact CG-CD1 3.62Å; Y42-D105 WeakPolarHBondContact OH-CB 3.5Å; Y42-D105 PolarHBondContact OH-OD2 3.48Å; Y42-D105 VanDerWaalsContact OH-OD2 3.06Å; Y42-L107 HydrophobicContact CD2-CD1 3.63Å; Y42-L107 HydrophobicContact CE2-CD1 3.78Å; Y42-L107 HydrophobicContact CE2-CD2 4.24Å; Y42-L107 HydrophobicContact CE2-CG 4.34Å; Y42-V121 HydrophobicContact CE1-CG1 3.88Å; Y42-V121 HydrophobicContact CE1-CG2 4.35Å; Y42-V121 HydrophobicContact CE2-CG2 3.98Å
43	T	96.6	Very high	89.5	Confident	31 Å²	31	59.4 Å²	59.4	19%	0.19	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	179	-179.1	66	0	0	0	0	111.4	E29 Y60 H62	E29-T43 WeakPolarHBondContact OE1-CA 3.34Å; E29-T43 WeakPolarHBondContact OE1-CB 3.21Å; T43-Y60 PolarHBondContact N-O 3.3Å; T43-Y60 PolarHBondContact O-N 2.95Å; T43-H62 PolarHBondContact OG1-NE2 3.33Å
44	Q	95.6	Very high	89.1	Confident	106 Å²	106	57.2 Å²	57.2	50%	0.495	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.2	50.3	175.6	-54.9	175.6	14.5	0	0	111.6	E29 R67	E29-Q44 PolarHBondContact OE1-N 3.12Å; E29-Q44 PolarHBondContact OE2-N 3.44Å; Q44-R67 PolarHBondContact O-NH2 3.11Å
45	L	96.8	Very high	89.3	Confident	22 Å²	22	54.2 Å²	54.2	12%	0.115	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	135.1	-175.7	-69.9	163	0	0	0	111.6	E29 V31 F36 V38 S58 A59	E29-L45 HydrophobicContact CB-CD1 3.59Å; E29-L45 HydrophobicContact CG-CD1 4.38Å; E29-L45 WeakPolarHBondContact OE2-CB 3.45Å; E29-L45 PolarHBondContact OE2-N 3.45Å; V31-L45 HydrophobicContact CG2-CB 3.59Å; V31-L45 HydrophobicContact CG2-CD1 3.91Å; V31-L45 HydrophobicContact CG2-CG 4.34Å; F36-L45 HydrophobicContact CB-CD1 3.42Å; F36-L45 VanDerWaalsContact CB-CD1 3.42Å; F36-L45 HydrophobicContact CD1-CD1 4.08Å; F36-L45 HydrophobicContact CD1-CD2 4.06Å; F36-L45 HydrophobicContact CG-CD1 3.98Å; V38-L45 HydrophobicContact CG2-CD1 4.13Å; V38-L45 HydrophobicContact CG2-CD2 4.21Å; L45-S58 CarbonylContact C-O 3.54Å; L45-S58 VanDerWaalsContact CA-O 3.26Å; L45-S58 WeakPolarHBondContact CA-O 3.41Å; L45-A59 HydrophobicContact CD2-CB 3.75Å
46	Q	95.8	Very high	89.4	Confident	116 Å²	116	53.1 Å²	53.1	54%	0.542	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.3	171.9	-62.6	177.3	-13.4	0	0	109.7	I48 S57 S58	Q46-I48 PolarHBondContact O-N 3.45Å; Q46-S57 CarbonylContact O-C 3.55Å; Q46-S57 VanDerWaalsContact O-CA 3.27Å; Q46-S57 WeakPolarHBondContact O-CA 3.32Å; Q46-S58 PolarHBondContact N-O 2.96Å; Q46-S58 PolarHBondContact O-N 2.85Å; Q46-S58 PolarHBondContact O-OG 3.14Å
47	Y	94.9	Very high	89.5	Confident	99 Å²	99	53 Å²	53	39%	0.388	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	131.4	178.5	176.5	-97.2	0	0	0	111.8	V31 K32 G49 E50 M55	V31-Y47 HydrophobicContact CG1-CD2 4.24Å; V31-Y47 HydrophobicContact CG1-CG 4.49Å; K32-Y47 HydrophobicContact CG-CD2 3.79Å; K32-Y47 HydrophobicContact CG-CE2 4.24Å; K32-Y47 HydrophobicContact CG-CG 4.02Å; Y47-G49 WeakPolarHBondContact CE2-O 3.36Å; Y47-G49 VanDerWaalsContact CZ-CA 3.46Å; Y47-G49 WeakPolarHBondContact OH-CA 3.49Å; Y47-E50 HydrophobicContact CE2-CB 4.49Å; Y47-E50 PolarHBondContact OH-N 3.49Å; Y47-M55 HydrophobicContact CD2-CG 4.03Å; Y47-M55 HydrophobicContact CD2-SD 4.03Å; Y47-M55 HydrophobicContact CE2-CG 4.04Å; Y47-M55 HydrophobicContact CE2-SD 4.37Å
48	I	91.9	Very high	89.7	Confident	62 Å²	62	48.7 Å²	48.7	32%	0.318	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-46.6	173.5	-59.1	179.6	0	0	0	110.5	Q46 V56 A69 L124	Q46-I48 PolarHBondContact O-N 3.45Å; I48-V56 HydrophobicContact CB-CG1 4.41Å; I48-V56 WeakPolarHBondContact CB-O 3.43Å; I48-V56 HydrophobicContact CD1-CG1 4.19Å; I48-V56 PolarHBondContact N-O 2.99Å; I48-A69 HydrophobicContact CD1-CB 4.46Å; I48-L124 HydrophobicContact CD1-CD1 3.54Å
49	G	87.7	Confident	89.8	Confident	19 Å²	19	48.5 Å²	48.5	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	176.6	-172.6	0	0	0	0	0	112.9	Y47 V56	Y47-G49 WeakPolarHBondContact CE2-O 3.36Å; Y47-G49 VanDerWaalsContact CZ-CA 3.46Å; Y47-G49 WeakPolarHBondContact OH-CA 3.49Å; G49-V56 PolarHBondContact N-O 3.32Å; G49-V56 PolarHBondContact O-N 2.94Å
50	E	83.6	Confident	90	Very high	123 Å²	123	49.1 Å²	49.1	58%	0.575	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	130.1	177.1	-169.8	170.1	-167.1	0	0	108.4	Y47	Y47-E50 HydrophobicContact CE2-CB 4.49Å; Y47-E50 PolarHBondContact OH-N 3.49Å
51	G	69.6	Low	90.1	Very high	47 Å²	47	43.9 Å²	43.9	49%	0.485	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-174.7	174.4	0	0	0	0	0	111.3	Y53 G54	G51-Y53 PolarHBondContact O-N 2.84Å; G51-G54 PolarHBondContact N-O 3.08Å
52	A	62.1	Low	90.2	Very high	81 Å²	81	44.1 Å²	44.1	67%	0.669	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-16.6	-175.9	0	0	0	0	0	115.1
53	Y	68.6	Low	90.1	Very high	27 Å²	27	49 Å²	49	11%	0.106	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-146.9	18.9	-175.3	55.5	-89.6	0	0	0	113.5	G51 K71 I73 E88 D184	G51-Y53 PolarHBondContact O-N 2.84Å; Y53-K71 PolarHBondContact OH-NZ 3.21Å; Y53-I73 HydrophobicContact CD2-CG1 4.34Å; Y53-I73 HydrophobicContact CD2-CG2 3.7Å; Y53-I73 HydrophobicContact CE2-CD1 4.13Å; Y53-I73 HydrophobicContact CE2-CG1 4.31Å; Y53-I73 HydrophobicContact CE2-CG2 4.22Å; Y53-E88 PolarHBondContact OH-OE2 3.09Å; Y53-D184 PolarHBondContact OH-OD1 2.88Å
54	G	81.4	Confident	90	Very high	14 Å²	14	53.9 Å²	53.9	14%	0.144	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	160.3	-178.2	0	0	0	0	0	116	G51 K72	G51-G54 PolarHBondContact N-O 3.08Å; G54-K72 CarbonylContact C-O 3.46Å; G54-K72 WeakPolarHBondContact CA-O 3.23Å
55	M	92.5	Very high	90	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.02	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.8	177.4	-177.2	-179.4	-62.6	0	0	110.3	V31 K32 Q34 F36 Y47 K71 K72	V31-M55 HydrophobicContact CB-SD 3.94Å; V31-M55 HydrophobicContact CG1-SD 3.74Å; K32-M55 HydrophobicContact CB-CE 3.94Å; Q34-M55 HydrophobicContact CB-CE 4.18Å; Q34-M55 HydrophobicContact CG-CE 3.95Å; F36-M55 HydrophobicContact CE2-CB 4.07Å; F36-M55 HydrophobicContact CE2-CG 4.03Å; F36-M55 HydrophobicContact CE2-SD 3.79Å; F36-M55 HydrophobicContact CZ-CB 4.39Å; F36-M55 HydrophobicContact CZ-CG 4.4Å; Y47-M55 HydrophobicContact CD2-CG 4.03Å; Y47-M55 HydrophobicContact CD2-SD 4.03Å; Y47-M55 HydrophobicContact CE2-CG 4.04Å; Y47-M55 HydrophobicContact CE2-SD 4.37Å; M55-K71 WeakPolarHBondContact O-CA 3.4Å; M55-K72 PolarHBondContact N-O 3.13Å; M55-K72 VanDerWaalsContact N-O 3.1Å; M55-K72 PolarHBondContact O-N 3.31Å
56	V	94.6	Very high	90	Very high	38 Å²	38	56.7 Å²	56.7	23%	0.23	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.2	175.3	-170.7	0	0	0	0	109.8	I48 G49 A69 I70 K71	I48-V56 HydrophobicContact CB-CG1 4.41Å; I48-V56 WeakPolarHBondContact CB-O 3.43Å; I48-V56 HydrophobicContact CD1-CG1 4.19Å; I48-V56 PolarHBondContact N-O 2.99Å; G49-V56 PolarHBondContact N-O 3.32Å; G49-V56 PolarHBondContact O-N 2.94Å; V56-A69 HydrophobicContact CG1-CB 4.36Å; V56-I70 WeakPolarHBondContact CA-O 3.4Å; V56-K71 HydrophobicContact CG2-CB 4.18Å; V56-K71 HydrophobicContact CG2-CG 4.06Å
57	S	96.6	Very high	90.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.9	176.5	-63.8	0	0	0	0	110.2	Q46 I70	Q46-S57 CarbonylContact O-C 3.55Å; Q46-S57 VanDerWaalsContact O-CA 3.27Å; Q46-S57 WeakPolarHBondContact O-CA 3.32Å; S57-I70 PolarHBondContact N-O 3.21Å; S57-I70 PolarHBondContact O-N 3.12Å
58	S	97.4	Very high	90.2	Very high	8 Å²	8	50 Å²	50	6%	0.056	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	146.5	165.2	62.3	0	0	0	0	109.7	L45 Q46 R67 V68	L45-S58 CarbonylContact C-O 3.54Å; L45-S58 VanDerWaalsContact CA-O 3.26Å; L45-S58 WeakPolarHBondContact CA-O 3.41Å; Q46-S58 PolarHBondContact N-O 2.96Å; Q46-S58 PolarHBondContact O-N 2.85Å; Q46-S58 PolarHBondContact O-OG 3.14Å; S58-R67 PolarHBondContact OG-NH2 3.09Å; S58-V68 CarbonylContact C-O 3.54Å; S58-V68 WeakPolarHBondContact CA-O 3.49Å
59	A	98.1	Very high	90.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	160.1	176.1	0	0	0	0	0	110.3	L45 R67 V68 I70	L45-A59 HydrophobicContact CD2-CB 3.75Å; A59-R67 CarbonylContact O-C 3.55Å; A59-R67 VanDerWaalsContact O-CA 3.22Å; A59-R67 WeakPolarHBondContact O-CA 3.44Å; A59-V68 HydrophobicContact CB-CG2 4.26Å; A59-V68 PolarHBondContact N-O 3.15Å; A59-V68 PolarHBondContact O-N 3.45Å; A59-I70 HydrophobicContact CB-CD1 3.54Å; A59-I70 HydrophobicContact CB-CG1 4.07Å
60	Y	98	Very high	91	Very high	62 Å²	62	46.5 Å²	46.5	24%	0.243	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.4	170.1	-172.6	-100.4	0	0	0	110.2	Y42 T43 H62 K65 R67	Y42-Y60 WeakPolarHBondContact CA-O 3.49Å; T43-Y60 PolarHBondContact N-O 3.3Å; T43-Y60 PolarHBondContact O-N 2.95Å; Y60-H62 AromaticContact CD1-CE1 3.64Å; Y60-H62 AromaticContact CD1-ND1 3.7Å; Y60-H62 AromaticContact CD1-NE2 3.99Å; Y60-H62 AromaticContact CE1-CE1 3.9Å; Y60-H62 AromaticContact CE1-ND1 3.62Å; Y60-K65 HydrophobicContact CE1-CD 4.37Å; Y60-K65 WeakPolarHBondContact OH-CA 3.39Å; Y60-K65 WeakPolarHBondContact OH-CD 3.16Å; Y60-R67 HydrophobicContact CD2-CG 4.33Å
61	D	97.9	Very high	91.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.6	174	-176.1	-14.8	0	0	0	109.7	R41 Y42 V63 R64 K65 T66 V68	R41-D61 IonicContact CZ-OD1 3.84Å; R41-D61 IonicContact CZ-OD2 3.79Å; R41-D61 IonicContact NE-OD1 3.49Å; R41-D61 PolarHBondContact NE-OD1 3.32Å; R41-D61 IonicContact NE-OD2 2.98Å; R41-D61 IonicContact NH2-OD1 3.02Å; R41-D61 PolarHBondContact NH2-OD1 2.72Å; R41-D61 IonicContact NH2-OD2 3.31Å; R41-D61 PolarHBondContact NH2-OD2 3.01Å; Y42-D61 HydrophobicContact CD1-CB 3.94Å; Y42-D61 HydrophobicContact CE1-CB 3.66Å; D61-V63 VanDerWaalsContact C-N 3.25Å; D61-V63 PolarHBondContact O-N 2.87Å; D61-V63 WeakPolarHBondContact OD1-CB 3.44Å; D61-V63 PolarHBondContact OD1-N 2.66Å; D61-R64 HydrophobicContact CB-CB 4.47Å; D61-R64 PolarHBondContact OD1-N 2.9Å; D61-R64 IonicContact OD2-NH1 2.64Å; D61-K65 VanDerWaalsContact O-CA 3.27Å; D61-K65 WeakPolarHBondContact O-CA 3.3Å; D61-K65 PolarHBondContact O-N 3.08Å; D61-T66 WeakPolarHBondContact CB-O 3.17Å; D61-T66 PolarHBondContact N-O 3.26Å; D61-V68 HydrophobicContact CB-CG1 4.3Å
62	H	96.8	Very high	92.8	Very high	67 Å²	67	39.9 Å²	39.9	31%	0.31	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.2	-179.4	-77.3	-71.9	0	0	0	114.6	R41 T43 Y60 K65	R41-H62 PolarHBondContact O-CD2 3.42Å; R41-H62 PolarHBondContact O-N 3.02Å; T43-H62 PolarHBondContact OG1-NE2 3.33Å; Y60-H62 AromaticContact CD1-CE1 3.64Å; Y60-H62 AromaticContact CD1-ND1 3.7Å; Y60-H62 AromaticContact CD1-NE2 3.99Å; Y60-H62 AromaticContact CE1-CE1 3.9Å; Y60-H62 AromaticContact CE1-ND1 3.62Å; H62-K65 WeakPolarHBondContact O-CD 3.18Å; H62-K65 WeakPolarHBondContact O-CE 3.19Å; H62-K65 PolarHBondContact O-NZ 3.19Å
63	V	95.3	Very high	94.3	Very high	102 Å²	102	36 Å²	36	62%	0.618	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-50.9	176.7	175.1	0	0	0	0	109.7	R41 D61	R41-V63 HydrophobicContact CG-CG2 4.03Å; D61-V63 VanDerWaalsContact C-N 3.25Å; D61-V63 PolarHBondContact O-N 2.87Å; D61-V63 WeakPolarHBondContact OD1-CB 3.44Å; D61-V63 PolarHBondContact OD1-N 2.66Å
64	R	94.7	Very high	95.5	Very high	134 Å²	134	37.7 Å²	37.7	51%	0.506	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-5.5	-176.2	-65.4	-175.3	174.4	108.2	-2.4	114.4	D61 T66	D61-R64 HydrophobicContact CB-CB 4.47Å; D61-R64 PolarHBondContact OD1-N 2.9Å; D61-R64 IonicContact OD2-NH1 2.64Å; R64-T66 HydrophobicContact CB-CG2 3.93Å; R64-T66 PolarHBondContact O-N 3.01Å
65	K	96.6	Very high	96.1	Very high	133 Å²	133	37 Å²	37	58%	0.578	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	35.6	179.9	-54.8	-56.8	-173.6	-166.4	0	113.7	Y60 D61 H62	Y60-K65 HydrophobicContact CE1-CD 4.37Å; Y60-K65 WeakPolarHBondContact OH-CA 3.39Å; Y60-K65 WeakPolarHBondContact OH-CD 3.16Å; D61-K65 VanDerWaalsContact O-CA 3.27Å; D61-K65 WeakPolarHBondContact O-CA 3.3Å; D61-K65 PolarHBondContact O-N 3.08Å; H62-K65 WeakPolarHBondContact O-CD 3.18Å; H62-K65 WeakPolarHBondContact O-CE 3.19Å; H62-K65 PolarHBondContact O-NZ 3.19Å
66	T	96.4	Very high	96.2	Very high	55 Å²	55	37.9 Å²	37.9	34%	0.337	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.2	179.5	-175.6	0	0	0	0	110.8	D61 R64 V68	D61-T66 WeakPolarHBondContact CB-O 3.17Å; D61-T66 PolarHBondContact N-O 3.26Å; R64-T66 HydrophobicContact CB-CG2 3.93Å; R64-T66 PolarHBondContact O-N 3.01Å; T66-V68 HydrophobicContact CG2-CG1 4.3Å
67	R	97	Very high	96	Very high	73 Å²	73	42.1 Å²	42.1	28%	0.275	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	149.2	166.3	-63.8	-171.1	75.7	85.4	3.6	110.5	Q44 S58 A59 Y60 L124	Q44-R67 PolarHBondContact O-NH2 3.11Å; S58-R67 PolarHBondContact OG-NH2 3.09Å; A59-R67 CarbonylContact O-C 3.55Å; A59-R67 VanDerWaalsContact O-CA 3.22Å; A59-R67 WeakPolarHBondContact O-CA 3.44Å; Y60-R67 HydrophobicContact CD2-CG 4.33Å; R67-L124 HydrophobicContact CB-CD2 3.6Å
68	V	97.9	Very high	95.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	162.3	179.2	-66	0	0	0	0	109.8	Y42 S58 A59 D61 T66 I70 V121	Y42-V68 HydrophobicContact CD1-CG2 3.72Å; Y42-V68 HydrophobicContact CE1-CG2 3.77Å; S58-V68 CarbonylContact C-O 3.54Å; S58-V68 WeakPolarHBondContact CA-O 3.49Å; A59-V68 HydrophobicContact CB-CG2 4.26Å; A59-V68 PolarHBondContact N-O 3.15Å; A59-V68 PolarHBondContact O-N 3.45Å; D61-V68 HydrophobicContact CB-CG1 4.3Å; T66-V68 HydrophobicContact CG2-CG1 4.3Å; V68-I70 HydrophobicContact CG2-CD1 4.42Å; V68-I70 HydrophobicContact CG2-CG1 4.11Å; V68-V121 HydrophobicContact CB-CG1 3.81Å; V68-V121 HydrophobicContact CG1-CG1 4.12Å; V68-V121 HydrophobicContact CG2-CG1 3.76Å
69	A	97.6	Very high	95.3	Very high	8 Å²	8	50.8 Å²	50.8	7%	0.066	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	139.5	165.3	0	0	0	0	0	109.6	I48 V56 V121 Q122 L124	I48-A69 HydrophobicContact CD1-CB 4.46Å; V56-A69 HydrophobicContact CG1-CB 4.36Å; A69-V121 CarbonylContact O-C 3.58Å; A69-V121 WeakPolarHBondContact O-CA 3.13Å; A69-Q122 PolarHBondContact N-O 3.32Å; A69-Q122 VanDerWaalsContact N-O 3.08Å; A69-Q122 PolarHBondContact O-N 3.05Å; A69-L124 HydrophobicContact CB-CD1 4.09Å
70	I	97.5	Very high	94.8	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.1	175.7	-51.7	-173.5	0	0	0	108.7	F36 V38 Y42 V56 S57 A59 V68 Y119 I120 V121	F36-I70 HydrophobicContact CE1-CB 4.31Å; F36-I70 HydrophobicContact CE1-CG2 4.05Å; V38-I70 HydrophobicContact CB-CD1 4.3Å; V38-I70 HydrophobicContact CG1-CD1 4.43Å; V38-I70 HydrophobicContact CG1-CG2 4.23Å; V38-I70 HydrophobicContact CG2-CD1 4.21Å; Y42-I70 HydrophobicContact CD1-CD1 3.89Å; Y42-I70 HydrophobicContact CD2-CD1 4.19Å; Y42-I70 HydrophobicContact CG-CD1 3.62Å; V56-I70 WeakPolarHBondContact CA-O 3.4Å; S57-I70 PolarHBondContact N-O 3.21Å; S57-I70 PolarHBondContact O-N 3.12Å; A59-I70 HydrophobicContact CB-CD1 3.54Å; A59-I70 HydrophobicContact CB-CG1 4.07Å; V68-I70 HydrophobicContact CG2-CD1 4.42Å; V68-I70 HydrophobicContact CG2-CG1 4.11Å; I70-Y119 HydrophobicContact CG2-CD1 4.26Å; I70-I120 WeakPolarHBondContact CA-O 3.39Å; I70-V121 HydrophobicContact CD1-CG2 4.37Å; I70-V121 HydrophobicContact CG1-CG1 4.45Å; I70-V121 HydrophobicContact CG1-CG2 4.18Å; I70-V121 HydrophobicContact CG2-CG2 4.47Å
71	K	95.6	Very high	94.5	Very high	23 Å²	23	54.7 Å²	54.7	10%	0.1	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	110	175.5	-177.4	-177.6	-179.8	-171.5	0	108.9	Y53 M55 V56 I73 E88 Y119 I120	Y53-K71 PolarHBondContact OH-NZ 3.21Å; M55-K71 WeakPolarHBondContact O-CA 3.4Å; V56-K71 HydrophobicContact CG2-CB 4.18Å; V56-K71 HydrophobicContact CG2-CG 4.06Å; K71-I73 HydrophobicContact CD-CD1 4.03Å; K71-I73 HydrophobicContact CD-CG1 4.26Å; K71-I73 HydrophobicContact CG-CD1 4.19Å; K71-I73 HydrophobicContact CG-CG1 3.93Å; K71-E88 IonicContact NZ-OE1 2.81Å; K71-E88 PolarHBondContact NZ-OE1 3.1Å; K71-E88 IonicContact NZ-OE2 3.55Å; K71-E88 PolarHBondContact NZ-OE2 3.25Å; K71-Y119 CarbonylContact O-C 3.6Å; K71-Y119 WeakPolarHBondContact O-CA 3.43Å; K71-I120 PolarHBondContact N-O 2.81Å; K71-I120 PolarHBondContact O-N 3.39Å
72	K	96	Very high	94.2	Very high	9 Å²	9	54.7 Å²	54.7	4%	0.039	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127	171.3	179	-177.4	-173.4	178.9	0	109.6	P35 F36 G54 M55 D117 Y119	P35-K72 PolarHBondContact O-NZ 3.06Å; F36-K72 HydrophobicContact CD2-CB 4.44Å; F36-K72 HydrophobicContact CD2-CD 3.97Å; F36-K72 HydrophobicContact CE1-CB 3.82Å; F36-K72 HydrophobicContact CE2-CB 3.65Å; F36-K72 HydrophobicContact CE2-CD 3.83Å; F36-K72 HydrophobicContact CE2-CG 4.34Å; F36-K72 HydrophobicContact CZ-CB 3.29Å; F36-K72 HydrophobicContact CZ-CD 4.34Å; F36-K72 HydrophobicContact CZ-CG 4.38Å; G54-K72 CarbonylContact C-O 3.46Å; G54-K72 WeakPolarHBondContact CA-O 3.23Å; M55-K72 PolarHBondContact N-O 3.13Å; M55-K72 VanDerWaalsContact N-O 3.1Å; M55-K72 PolarHBondContact O-N 3.31Å; K72-D117 WeakPolarHBondContact CE-OD1 3.41Å; K72-D117 WeakPolarHBondContact CE-OD2 3.37Å; K72-D117 HydrophobicContact CG-CB 4.47Å; K72-D117 IonicContact NZ-OD1 3.78Å; K72-D117 IonicContact NZ-OD2 2.7Å; K72-D117 PolarHBondContact NZ-OD2 2.82Å; K72-Y119 HydrophobicContact CB-CD1 3.77Å; K72-Y119 HydrophobicContact CB-CE1 3.82Å; K72-Y119 HydrophobicContact CD-CD1 4.48Å; K72-Y119 HydrophobicContact CD-CE1 3.67Å; K72-Y119 HydrophobicContact CG-CD1 3.9Å; K72-Y119 HydrophobicContact CG-CE1 3.53Å
73	I	94.3	Very high	93.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.7	-179.5	-54.4	168.4	0	0	0	109.4	Y53 K71 P75 T85 D117 V118 I120	Y53-I73 HydrophobicContact CD2-CG1 4.34Å; Y53-I73 HydrophobicContact CD2-CG2 3.7Å; Y53-I73 HydrophobicContact CE2-CD1 4.13Å; Y53-I73 HydrophobicContact CE2-CG1 4.31Å; Y53-I73 HydrophobicContact CE2-CG2 4.22Å; K71-I73 HydrophobicContact CD-CD1 4.03Å; K71-I73 HydrophobicContact CD-CG1 4.26Å; K71-I73 HydrophobicContact CG-CD1 4.19Å; K71-I73 HydrophobicContact CG-CG1 3.93Å; I73-P75 HydrophobicContact CG2-CB 3.94Å; I73-P75 HydrophobicContact CG2-CG 3.95Å; I73-P75 WeakPolarHBondContact O-CD 3.46Å; I73-T85 HydrophobicContact CD1-CG2 4.24Å; I73-T85 HydrophobicContact CG2-CG2 4.34Å; I73-D117 CarbonylContact O-C 3.57Å; I73-D117 VanDerWaalsContact O-CA 3.32Å; I73-D117 WeakPolarHBondContact O-CA 3.11Å; I73-V118 PolarHBondContact N-O 3.48Å; I73-V118 PolarHBondContact O-N 3.26Å; I73-I120 HydrophobicContact CD1-CD1 3.6Å; I73-I120 HydrophobicContact CD1-CG1 4.19Å
74	S	93.8	Very high	93.7	Very high	61 Å²	61	50.2 Å²	50.2	43%	0.427	23%	0.234	S	C	.	.			trans	-122.3	70.3	178.5	-47.7	0	0	0	0	110.1	D117	S74-D117 WeakPolarHBondContact CB-OD1 3.48Å; S74-D117 PolarHBondContact OG-OD1 2.87Å
75	P	92.9	Very high	93.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.			trans	-89.6	-15	-161.3	34.6	-31	0	0	0	114	I73 E77 H78 C82 T85	I73-P75 HydrophobicContact CG2-CB 3.94Å; I73-P75 HydrophobicContact CG2-CG 3.95Å; I73-P75 WeakPolarHBondContact O-CD 3.46Å; P75-E77 PolarHBondContact O-N 3.13Å; P75-H78 PolarHBondContact O-N 3.44Å; P75-H78 VanDerWaalsContact O-N 3.15Å; P75-C82 PolarHBondContact O-SG 2.85Å; P75-C82 VanDerWaalsContact O-SG 3.39Å; P75-T85 WeakPolarHBondContact CB-OG1 3.14Å; P75-T85 HydrophobicContact CG-CG2 4.29Å
76	F	94.4	Very high	93.5	Very high	23 Å²	23	37.6 Å²	37.6	10%	0.101	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-3.1	-159.8	-53.2	-58.2	0	0	0	115.9	M115 R116 V118 K361 I364	F76-M115 HydrophobicContact CE1-CE 3.85Å; F76-M115 HydrophobicContact CE2-CE 4.08Å; F76-M115 HydrophobicContact CE2-CG 3.78Å; F76-M115 HydrophobicContact CE2-SD 4.35Å; F76-M115 HydrophobicContact CZ-CE 3.43Å; F76-M115 VanDerWaalsContact CZ-CE 3.43Å; F76-M115 HydrophobicContact CZ-CG 3.97Å; F76-M115 HydrophobicContact CZ-SD 3.91Å; F76-R116 VanDerWaalsContact CD2-O 3.24Å; F76-R116 WeakPolarHBondContact CD2-O 3.35Å; F76-R116 WeakPolarHBondContact CE2-O 3.16Å; F76-V118 HydrophobicContact CE2-CG2 4.19Å; F76-V118 HydrophobicContact CZ-CG2 3.74Å; F76-K361 HydrophobicContact CB-CD 4.38Å; F76-K361 HydrophobicContact CD1-CB 3.8Å; F76-K361 HydrophobicContact CD1-CD 3.92Å; F76-K361 HydrophobicContact CD1-CG 3.5Å; F76-K361 HydrophobicContact CE1-CB 4.07Å; F76-K361 HydrophobicContact CE1-CD 4.39Å; F76-K361 HydrophobicContact CE1-CG 3.61Å; F76-K361 HydrophobicContact CG-CD 4.02Å; F76-K361 HydrophobicContact CG-CG 4.11Å; F76-K361 HydrophobicContact CZ-CG 4.28Å; F76-I364 HydrophobicContact CE1-CD1 3.86Å; F76-I364 HydrophobicContact CE1-CG2 4.4Å; F76-I364 HydrophobicContact CZ-CG2 4.35Å
77	E	90.9	Very high	93.3	Very high	126 Å²	126	35.8 Å²	35.8	59%	0.589	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-23.7	173.1	-64.1	-54.1	142.5	0	0	112.8	P75 K357	P75-E77 PolarHBondContact O-N 3.13Å; E77-K357 PolarHBondContact O-NZ 2.96Å
78	H	90.3	Very high	93.1	Very high	107 Å²	107	32.4 Å²	32.4	50%	0.495	16%	0.158	S	C	.	.			trans	-131	127.5	-173.1	-59.4	-70.4	0	0	0	112.6	P75 T80 Y81 C82	P75-H78 PolarHBondContact O-N 3.44Å; P75-H78 VanDerWaalsContact O-N 3.15Å; H78-T80 VanDerWaalsContact C-N 3.31Å; H78-T80 PolarHBondContact O-N 2.72Å; H78-Y81 HydrophobicContact CB-CD2 3.79Å; H78-Y81 HydrophobicContact CB-CE2 4.28Å; H78-Y81 HydrophobicContact CB-CG 3.98Å; H78-Y81 AromaticContact CD2-CD2 3.6Å; H78-Y81 AromaticContact CD2-CE2 3.48Å; H78-Y81 VanDerWaalsContact CD2-CE2 3.48Å; H78-Y81 WeakPolarHBondContact CD2-CE2 3.3Å; H78-Y81 PolarHBondContact O-N 3.07Å; H78-C82 PolarHBondContact O-N 3.33Å; H78-C82 VanDerWaalsContact O-N 3.09Å
79	Q	90.1	Very high	93	Very high	83 Å²	83	32.4 Å²	32.4	39%	0.388	16%	0.158	S	C	.	.	H	α-helix	trans	-53.1	-46.5	178	-173.5	-172.5	5.2	0	0	112.3	Y81 C82 Q83 L355 K357 L360	Q79-Y81 VanDerWaalsContact C-N 3.27Å; Q79-Y81 PolarHBondContact O-N 3.13Å; Q79-C82 WeakPolarHBondContact O-CB 3.42Å; Q79-C82 PolarHBondContact O-N 2.92Å; Q79-Q83 WeakPolarHBondContact O-CG 3.12Å; Q79-Q83 PolarHBondContact O-N 3.45Å; Q79-L355 PolarHBondContact NE2-O 3.18Å; Q79-K357 HydrophobicContact CB-CB 4.28Å; Q79-L360 HydrophobicContact CG-CD1 3.98Å
80	T	87.7	Confident	92.8	Very high	69 Å²	69	33.8 Å²	33.8	42%	0.423	16%	0.163	S	C	.	.	H	α-helix	trans	-59.7	-36.1	179.3	-47.9	0	0	0	0	112.5	H78 R84	H78-T80 VanDerWaalsContact C-N 3.31Å; H78-T80 PolarHBondContact O-N 2.72Å; T80-R84 VanDerWaalsContact O-CG 3.24Å; T80-R84 WeakPolarHBondContact O-CG 3.33Å; T80-R84 PolarHBondContact O-N 3.4Å; T80-R84 VanDerWaalsContact O-N 3.08Å
81	Y	90	Very high	92.7	Very high	75 Å²	75	34.2 Å²	34.2	29%	0.294	17%	0.165	S	C	.	.	H	α-helix	trans	-75	-38.4	179	-63.5	-11.9	0	0	0	111.6	H78 Q79 Q83 R84 T85	H78-Y81 HydrophobicContact CB-CD2 3.79Å; H78-Y81 HydrophobicContact CB-CE2 4.28Å; H78-Y81 HydrophobicContact CB-CG 3.98Å; H78-Y81 AromaticContact CD2-CD2 3.6Å; H78-Y81 AromaticContact CD2-CE2 3.48Å; H78-Y81 VanDerWaalsContact CD2-CE2 3.48Å; H78-Y81 WeakPolarHBondContact CD2-CE2 3.3Å; H78-Y81 PolarHBondContact O-N 3.07Å; Q79-Y81 VanDerWaalsContact C-N 3.27Å; Q79-Y81 PolarHBondContact O-N 3.13Å; Y81-Q83 VanDerWaalsContact C-N 3.34Å; Y81-Q83 PolarHBondContact O-N 2.92Å; Y81-R84 PolarHBondContact O-N 2.96Å; Y81-T85 WeakPolarHBondContact O-CB 3.31Å; Y81-T85 PolarHBondContact O-N 3.44Å; Y81-T85 PolarHBondContact O-OG1 3.15Å
82	C	92.9	Very high	92.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.9	-45.4	170.9	-66	0	0	0	0	111.5	P75 H78 Q79 R84 T85 L86 L360 I364	P75-C82 PolarHBondContact O-SG 2.85Å; P75-C82 VanDerWaalsContact O-SG 3.39Å; H78-C82 PolarHBondContact O-N 3.33Å; H78-C82 VanDerWaalsContact O-N 3.09Å; Q79-C82 WeakPolarHBondContact O-CB 3.42Å; Q79-C82 PolarHBondContact O-N 2.92Å; C82-R84 PolarHBondContact O-N 3.26Å; C82-T85 PolarHBondContact O-N 3.45Å; C82-L86 WeakPolarHBondContact O-CB 3.35Å; C82-L86 PolarHBondContact O-N 3.17Å; C82-L360 HydrophobicContact CB-CB 3.61Å; C82-L360 HydrophobicContact CB-CD1 3.76Å; C82-L360 HydrophobicContact CB-CG 4.32Å; C82-I364 HydrophobicContact CB-CD1 4.39Å
83	Q	90.5	Very high	92.6	Very high	23 Å²	23	34.3 Å²	34.3	11%	0.107	17%	0.167	C	C	.	.	H	α-helix	trans	-60.7	-45.2	177.8	-71.8	175.8	-30.5	0	0	112.3	Q79 Y81 R87 L352 D353 L360	Q79-Q83 WeakPolarHBondContact O-CG 3.12Å; Q79-Q83 PolarHBondContact O-N 3.45Å; Y81-Q83 VanDerWaalsContact C-N 3.34Å; Y81-Q83 PolarHBondContact O-N 2.92Å; Q83-R87 WeakPolarHBondContact O-CB 3.37Å; Q83-R87 PolarHBondContact O-N 3.39Å; Q83-L352 PolarHBondContact NE2-O 2.74Å; Q83-D353 VanDerWaalsContact NE2-C 3.26Å; Q83-D353 PolarHBondContact NE2-O 3.47Å; Q83-L360 HydrophobicContact CG-CD1 3.5Å; Q83-L360 VanDerWaalsContact CG-CD1 3.5Å; Q83-L360 HydrophobicContact CG-CD2 4.19Å
84	R	90.2	Very high	92.6	Very high	52 Å²	52	38.9 Å²	38.9	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-44.3	177.4	-70	177.4	-177	-166.9	3.7	111.5	T80 Y81 C82 E88 G186	T80-R84 VanDerWaalsContact O-CG 3.24Å; T80-R84 WeakPolarHBondContact O-CG 3.33Å; T80-R84 PolarHBondContact O-N 3.4Å; T80-R84 VanDerWaalsContact O-N 3.08Å; Y81-R84 PolarHBondContact O-N 2.96Å; C82-R84 PolarHBondContact O-N 3.26Å; R84-E88 WeakPolarHBondContact O-CB 3.26Å; R84-E88 PolarHBondContact O-N 2.79Å; R84-G186 WeakPolarHBondContact CG-O 3.46Å
85	T	93.3	Very high	92.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-49.8	-179.2	-55	0	0	0	0	111.3	I73 P75 Y81 C82 R87 E88 I89 I364	I73-T85 HydrophobicContact CD1-CG2 4.24Å; I73-T85 HydrophobicContact CG2-CG2 4.34Å; P75-T85 WeakPolarHBondContact CB-OG1 3.14Å; P75-T85 HydrophobicContact CG-CG2 4.29Å; Y81-T85 WeakPolarHBondContact O-CB 3.31Å; Y81-T85 PolarHBondContact O-N 3.44Å; Y81-T85 PolarHBondContact O-OG1 3.15Å; C82-T85 PolarHBondContact O-N 3.45Å; T85-R87 VanDerWaalsContact C-N 3.33Å; T85-R87 PolarHBondContact O-N 3.15Å; T85-E88 PolarHBondContact O-N 3.12Å; T85-I89 HydrophobicContact CG2-CD1 3.89Å; T85-I89 WeakPolarHBondContact O-CB 3.28Å; T85-I89 VanDerWaalsContact O-CG1 3.28Å; T85-I89 WeakPolarHBondContact O-CG1 3.19Å; T85-I89 PolarHBondContact O-N 3.5Å; T85-I364 HydrophobicContact CG2-CD1 4.19Å
86	L	94	Very high	93	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-45	178.9	-178.9	56.5	0	0	0	111.3	C82 I89 Q90 L352 L360 L363 I364 E367	C82-L86 WeakPolarHBondContact O-CB 3.35Å; C82-L86 PolarHBondContact O-N 3.17Å; L86-I89 PolarHBondContact O-N 2.91Å; L86-Q90 HydrophobicContact CD1-CG 4.06Å; L86-Q90 HydrophobicContact CG-CG 4.49Å; L86-Q90 WeakPolarHBondContact O-CB 3.37Å; L86-Q90 WeakPolarHBondContact O-CG 3.4Å; L86-Q90 PolarHBondContact O-N 2.91Å; L86-L352 HydrophobicContact CD2-CD1 3.35Å; L86-L352 HydrophobicContact CG-CD1 4.22Å; L86-L360 HydrophobicContact CD2-CD2 3.78Å; L86-L363 HydrophobicContact CD1-CB 4.1Å; L86-L363 HydrophobicContact CD2-CB 3.63Å; L86-L363 HydrophobicContact CD2-CD1 3.88Å; L86-L363 HydrophobicContact CD2-CG 4.43Å; L86-I364 HydrophobicContact CB-CD1 4.2Å; L86-I364 HydrophobicContact CB-CG1 3.75Å; L86-I364 HydrophobicContact CD1-CG1 3.9Å; L86-I364 HydrophobicContact CG-CG1 4.32Å; L86-E367 HydrophobicContact CD1-CG 3.87Å
87	R	91.8	Very high	93.2	Very high	17 Å²	17	47.3 Å²	47.3	6%	0.064	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-47.9	178	-176.2	178.6	-63.7	99.7	3.2	112.4	Q83 T85 I89 Q90 I91 G186 A188 R189 E351 D353	Q83-R87 WeakPolarHBondContact O-CB 3.37Å; Q83-R87 PolarHBondContact O-N 3.39Å; T85-R87 VanDerWaalsContact C-N 3.33Å; T85-R87 PolarHBondContact O-N 3.15Å; R87-I89 VanDerWaalsContact C-N 3.3Å; R87-I89 PolarHBondContact O-N 2.88Å; R87-Q90 PolarHBondContact O-N 3.02Å; R87-I91 HydrophobicContact CG-CD1 3.6Å; R87-I91 HydrophobicContact CG-CG1 4.29Å; R87-I91 WeakPolarHBondContact O-CB 3.38Å; R87-I91 VanDerWaalsContact O-CG1 3.31Å; R87-I91 WeakPolarHBondContact O-CG1 3.49Å; R87-I91 PolarHBondContact O-N 3.48Å; R87-G186 PolarHBondContact NH1-O 2.9Å; R87-A188 WeakPolarHBondContact CD-O 3.3Å; R87-A188 PolarHBondContact NE-O 3.38Å; R87-A188 VanDerWaalsContact NE-O 3.13Å; R87-R189 VanDerWaalsContact NH2-NH2 3.14Å; R87-E351 IonicContact CZ-OE2 3.46Å; R87-E351 IonicContact NE-OE1 3.83Å; R87-E351 IonicContact NE-OE2 3.46Å; R87-E351 PolarHBondContact NE-OE2 2.95Å; R87-E351 IonicContact NH2-OE2 2.98Å; R87-E351 PolarHBondContact NH2-OE2 3.04Å; R87-D353 IonicContact NH2-OD1 2.67Å; R87-D353 PolarHBondContact NH2-OD1 3.43Å; R87-D353 VanDerWaalsContact NH2-OD1 3.15Å
88	E	93.8	Very high	93.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-57.4	-45.6	177.2	-178.3	175.2	-142.8	0	0	110.8	Y53 K71 R84 T85 L92 F185	Y53-E88 PolarHBondContact OH-OE2 3.09Å; K71-E88 IonicContact NZ-OE1 2.81Å; K71-E88 PolarHBondContact NZ-OE1 3.1Å; K71-E88 IonicContact NZ-OE2 3.55Å; K71-E88 PolarHBondContact NZ-OE2 3.25Å; R84-E88 WeakPolarHBondContact O-CB 3.26Å; R84-E88 PolarHBondContact O-N 2.79Å; T85-E88 PolarHBondContact O-N 3.12Å; E88-L92 HydrophobicContact CG-CD1 3.83Å; E88-L92 HydrophobicContact CG-CG 4.39Å; E88-L92 VanDerWaalsContact O-CB 3.29Å; E88-L92 WeakPolarHBondContact O-CB 3.37Å; E88-L92 VanDerWaalsContact O-CG 3.27Å; E88-L92 WeakPolarHBondContact O-CG 3.45Å; E88-L92 PolarHBondContact O-N 2.66Å; E88-F185 HydrophobicContact CG-CB 4.43Å
89	I	95.2	Very high	93.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-53.4	177.2	-69.9	171.9	0	0	0	110.9	T85 L86 R87 I91 L92 L93 I106 V118 I120 I364 E367 T368	T85-I89 HydrophobicContact CG2-CD1 3.89Å; T85-I89 WeakPolarHBondContact O-CB 3.28Å; T85-I89 VanDerWaalsContact O-CG1 3.28Å; T85-I89 WeakPolarHBondContact O-CG1 3.19Å; T85-I89 PolarHBondContact O-N 3.5Å; L86-I89 PolarHBondContact O-N 2.91Å; R87-I89 VanDerWaalsContact C-N 3.3Å; R87-I89 PolarHBondContact O-N 2.88Å; I89-I91 VanDerWaalsContact C-N 3.34Å; I89-I91 PolarHBondContact O-N 2.69Å; I89-L92 PolarHBondContact O-N 2.73Å; I89-L93 HydrophobicContact CG2-CD1 3.44Å; I89-L93 VanDerWaalsContact CG2-CD1 3.44Å; I89-L93 HydrophobicContact CG2-CG 4.19Å; I89-L93 VanDerWaalsContact O-CB 3.23Å; I89-L93 WeakPolarHBondContact O-CB 3.27Å; I89-L93 WeakPolarHBondContact O-CG 3.48Å; I89-L93 PolarHBondContact O-N 3.15Å; I89-I106 HydrophobicContact CG1-CD1 4.42Å; I89-I106 HydrophobicContact CG2-CD1 4.06Å; I89-V118 HydrophobicContact CD1-CG1 4.47Å; I89-I120 HydrophobicContact CD1-CD1 4.32Å; I89-I120 HydrophobicContact CG1-CD1 3.87Å; I89-I364 HydrophobicContact CD1-CG2 4.28Å; I89-E367 HydrophobicContact CG2-CB 4.15Å; I89-T368 HydrophobicContact CD1-CG2 4.2Å
90	Q	93.8	Very high	94.3	Very high	37 Å²	37	39 Å²	39	17%	0.173	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-40.2	-176.4	-74.9	-179.3	-38.4	0	0	112.8	L86 R87 E367	L86-Q90 HydrophobicContact CD1-CG 4.06Å; L86-Q90 HydrophobicContact CG-CG 4.49Å; L86-Q90 WeakPolarHBondContact O-CB 3.37Å; L86-Q90 WeakPolarHBondContact O-CG 3.4Å; L86-Q90 PolarHBondContact O-N 2.91Å; R87-Q90 PolarHBondContact O-N 3.02Å; Q90-E367 HydrophobicContact CG-CG 4.04Å; Q90-E367 PolarHBondContact NE2-OE1 2.81Å
91	I	94.6	Very high	94.8	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.046	15%	0.149	C	C	.	.	H	α-helix	trans	-67	-54.5	177.9	-69	173.9	0	0	0	110.3	R87 I89 L93 R94 F95 V162 F185 A188 F346	R87-I91 HydrophobicContact CG-CD1 3.6Å; R87-I91 HydrophobicContact CG-CG1 4.29Å; R87-I91 WeakPolarHBondContact O-CB 3.38Å; R87-I91 VanDerWaalsContact O-CG1 3.31Å; R87-I91 WeakPolarHBondContact O-CG1 3.49Å; R87-I91 PolarHBondContact O-N 3.48Å; I89-I91 VanDerWaalsContact C-N 3.34Å; I89-I91 PolarHBondContact O-N 2.69Å; I91-L93 PolarHBondContact O-N 3.43Å; I91-R94 PolarHBondContact O-N 3.43Å; I91-R94 VanDerWaalsContact O-N 3.09Å; I91-F95 HydrophobicContact CG2-CD1 4.5Å; I91-F95 HydrophobicContact CG2-CD2 3.44Å; I91-F95 VanDerWaalsContact CG2-CD2 3.44Å; I91-F95 HydrophobicContact CG2-CE1 4.41Å; I91-F95 HydrophobicContact CG2-CE2 3.3Å; I91-F95 HydrophobicContact CG2-CG 4.08Å; I91-F95 HydrophobicContact CG2-CZ 3.84Å; I91-F95 WeakPolarHBondContact O-CG 3.28Å; I91-F95 PolarHBondContact O-N 2.99Å; I91-V162 HydrophobicContact CD1-CG1 4.14Å; I91-F185 HydrophobicContact CD1-CB 4.41Å; I91-F185 HydrophobicContact CG2-CB 4.36Å; I91-F185 HydrophobicContact CG2-CD1 3.7Å; I91-F185 HydrophobicContact CG2-CE1 4.21Å; I91-F185 HydrophobicContact CG2-CG 4.1Å; I91-A188 HydrophobicContact CD1-CB 3.56Å; I91-F346 HydrophobicContact CB-CZ 4.49Å; I91-F346 HydrophobicContact CG1-CE1 4.16Å; I91-F346 HydrophobicContact CG1-CZ 4.27Å
92	L	96.1	Very high	95.1	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-69.2	-21.6	-174.4	-67.1	-175	0	0	0	113.7	E88 I89 V100 I101 I103 F185	E88-L92 HydrophobicContact CG-CD1 3.83Å; E88-L92 HydrophobicContact CG-CG 4.39Å; E88-L92 VanDerWaalsContact O-CB 3.29Å; E88-L92 WeakPolarHBondContact O-CB 3.37Å; E88-L92 VanDerWaalsContact O-CG 3.27Å; E88-L92 WeakPolarHBondContact O-CG 3.45Å; E88-L92 PolarHBondContact O-N 2.66Å; I89-L92 PolarHBondContact O-N 2.73Å; L92-V100 HydrophobicContact CD2-CG1 4.09Å; L92-I101 HydrophobicContact CD1-CG2 4.01Å; L92-I101 HydrophobicContact CD2-CG2 4.2Å; L92-I101 VanDerWaalsContact CD2-O 3.22Å; L92-I101 WeakPolarHBondContact CD2-O 3.48Å; L92-I103 HydrophobicContact CB-CD1 3.68Å; L92-I103 HydrophobicContact CB-CG1 3.79Å; L92-I103 HydrophobicContact CD1-CD1 4.28Å; L92-I103 HydrophobicContact CD1-CG1 4.13Å; L92-F185 HydrophobicContact CD1-CD2 4.49Å; L92-F185 HydrophobicContact CD2-CD2 3.42Å; L92-F185 VanDerWaalsContact CD2-CD2 3.42Å; L92-F185 HydrophobicContact CD2-CE2 3.57Å; L92-F185 HydrophobicContact CD2-CG 4.13Å; L92-F185 HydrophobicContact CD2-CZ 4.38Å; L92-F185 HydrophobicContact CG-CD2 4.11Å
93	L	94.9	Very high	95.3	Very high	31 Å²	31	34.4 Å²	34.4	16%	0.162	15%	0.152	C	C	.	.	H	α-helix	trans	-76.9	-21.5	173.5	-74.8	178.2	0	0	0	113.9	I89 I91 I103 I106 R370 F371	I89-L93 HydrophobicContact CG2-CD1 3.44Å; I89-L93 VanDerWaalsContact CG2-CD1 3.44Å; I89-L93 HydrophobicContact CG2-CG 4.19Å; I89-L93 VanDerWaalsContact O-CB 3.23Å; I89-L93 WeakPolarHBondContact O-CB 3.27Å; I89-L93 WeakPolarHBondContact O-CG 3.48Å; I89-L93 PolarHBondContact O-N 3.15Å; I91-L93 PolarHBondContact O-N 3.43Å; L93-I103 HydrophobicContact CD2-CB 4.09Å; L93-I103 HydrophobicContact CD2-CD1 4.34Å; L93-I103 HydrophobicContact CD2-CG2 4.09Å; L93-I103 HydrophobicContact CG-CD1 4.24Å; L93-I106 HydrophobicContact CD1-CD1 4.45Å; L93-R370 VanDerWaalsContact CB-NH2 3.28Å; L93-F371 HydrophobicContact CD1-CE2 4.15Å; L93-F371 HydrophobicContact CD2-CE2 3.67Å; L93-F371 HydrophobicContact CD2-CZ 3.45Å; L93-F371 VanDerWaalsContact CD2-CZ 3.45Å
94	R	94.4	Very high	95.6	Very high	95 Å²	95	37.3 Å²	37.3	36%	0.358	16%	0.162	S	C	.	.	H	α-helix	trans	-95.9	-25.5	172.9	-66	-174.6	69.8	-163.2	9.5	112.4	I91 E344 F346	I91-R94 PolarHBondContact O-N 3.43Å; I91-R94 VanDerWaalsContact O-N 3.09Å; R94-E344 IonicContact NH2-OE2 3.77Å; R94-E344 PolarHBondContact NH2-OE2 3.08Å; R94-F346 HydrophobicContact CB-CE2 4.28Å; R94-F346 HydrophobicContact CB-CZ 3.78Å; R94-F346 HydrophobicContact CG-CZ 4.11Å
95	F	96.7	Very high	95.9	Very high	15 Å²	15	35.4 Å²	35.4	7%	0.066	16%	0.156	C	C	.	.			trans	-77.5	132	179.4	-76.2	-3	0	0	0	112.5	I91 V100 Y156 I157 A160 V162 F185 F346	I91-F95 HydrophobicContact CG2-CD1 4.5Å; I91-F95 HydrophobicContact CG2-CD2 3.44Å; I91-F95 VanDerWaalsContact CG2-CD2 3.44Å; I91-F95 HydrophobicContact CG2-CE1 4.41Å; I91-F95 HydrophobicContact CG2-CE2 3.3Å; I91-F95 HydrophobicContact CG2-CG 4.08Å; I91-F95 HydrophobicContact CG2-CZ 3.84Å; I91-F95 WeakPolarHBondContact O-CG 3.28Å; I91-F95 PolarHBondContact O-N 2.99Å; F95-V100 HydrophobicContact CB-CG1 4.47Å; F95-V100 HydrophobicContact CD2-CG1 4.13Å; F95-Y156 HydrophobicContact CB-CE1 3.96Å; F95-Y156 HydrophobicContact CD1-CD1 4.45Å; F95-Y156 AromaticContact CD1-CE1 3.64Å; F95-Y156 HydrophobicContact CD1-CE1 3.64Å; F95-Y156 HydrophobicContact CD2-CE1 4.43Å; F95-Y156 HydrophobicContact CE1-CE1 4.15Å; F95-Y156 HydrophobicContact CG-CD1 4.46Å; F95-Y156 AromaticContact CG-CE1 3.78Å; F95-Y156 HydrophobicContact CG-CE1 3.78Å; F95-I157 HydrophobicContact CE2-CB 4.37Å; F95-I157 HydrophobicContact CE2-CG1 3.88Å; F95-I157 HydrophobicContact CE2-CG2 4.3Å; F95-I157 HydrophobicContact CZ-CG1 4.49Å; F95-I157 HydrophobicContact CZ-CG2 4.46Å; F95-A160 HydrophobicContact CE1-CB 3.45Å; F95-A160 VanDerWaalsContact CE1-CB 3.45Å; F95-A160 HydrophobicContact CZ-CB 3.8Å; F95-V162 HydrophobicContact CZ-CB 4.08Å; F95-V162 HydrophobicContact CZ-CG1 4.43Å; F95-V162 HydrophobicContact CZ-CG2 3.91Å; F95-F185 HydrophobicContact CD2-CE1 4.17Å; F95-F185 HydrophobicContact CD2-CZ 4.32Å; F95-F185 HydrophobicContact CE2-CD1 4.37Å; F95-F185 AromaticContact CE2-CE1 3.76Å; F95-F185 HydrophobicContact CE2-CE1 3.76Å; F95-F185 HydrophobicContact CE2-CZ 4.31Å; F95-F346 HydrophobicContact CD1-CE2 4.04Å; F95-F346 HydrophobicContact CE1-CD2 4.24Å; F95-F346 AromaticContact CE1-CE2 3.47Å; F95-F346 HydrophobicContact CE1-CE2 3.47Å; F95-F346 VanDerWaalsContact CE1-CE2 3.47Å; F95-F346 HydrophobicContact CE1-CZ 4.29Å; F95-F346 HydrophobicContact CZ-CE2 4.17Å
96	R	96.9	Very high	96.1	Very high	229 Å²	229	35.4 Å²	35.4	86%	0.864	16%	0.156	S	C	*	.			trans	-139	95.4	172.5	-173.7	176.8	178	171.6	-1.4	109.1	Y156	R96-Y156 PolarHBondContact N-OH 3.35Å; R96-Y156 PolarHBondContact O-OH 3.46Å
97	H	98.4	Very high	96.3	Very high	18 Å²	18	37.2 Å²	37.2	8%	0.083	17%	0.165	C	C	.	.			trans	-149.2	144.4	-178.4	-172.8	-87.5	0	0	0	110.2	N99 V100 Y156	H97-N99 VanDerWaalsContact C-N 3.31Å; H97-N99 PolarHBondContact CE1-OD1 3.43Å; H97-N99 VanDerWaalsContact CE1-OD1 3.32Å; H97-N99 PolarHBondContact ND1-N 3.3Å; H97-N99 PolarHBondContact O-N 2.83Å; H97-V100 HydrophobicContact CB-CB 4.16Å; H97-V100 HydrophobicContact CB-CG2 4.03Å; H97-V100 PolarHBondContact O-N 3.16Å; H97-Y156 HydrophobicContact CB-CD1 3.75Å; H97-Y156 HydrophobicContact CB-CD2 4.13Å; H97-Y156 HydrophobicContact CB-CE1 3.99Å; H97-Y156 HydrophobicContact CB-CE2 4.35Å; H97-Y156 HydrophobicContact CB-CG 3.82Å; H97-Y156 AromaticContact CD2-CD2 3.62Å; H97-Y156 AromaticContact CD2-CG 3.6Å; H97-Y156 AromaticContact CG-CG 3.84Å
98	E	98.3	Very high	96.5	Very high	128 Å²	128	37.7 Å²	37.7	60%	0.598	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-37.6	-175.5	-65	173.4	146	0	0	112.4	V100 R152 K181	E98-V100 VanDerWaalsContact C-N 3.33Å; E98-V100 PolarHBondContact O-N 2.91Å; E98-R152 IonicContact OE2-CZ 3.31Å; E98-R152 IonicContact OE2-NH1 4Å; E98-R152 PolarHBondContact OE2-NH1 3.37Å; E98-R152 IonicContact OE2-NH2 3.06Å; E98-R152 PolarHBondContact OE2-NH2 3.31Å; E98-K181 WeakPolarHBondContact O-CG 3.43Å; E98-K181 PolarHBondContact O-NZ 3.25Å
99	N	98.8	Very high	96.5	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.043	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	15.4	179	-50.3	108.8	0	0	0	114.9	H97 Q149 R152 L180 K181 I182	H97-N99 VanDerWaalsContact C-N 3.31Å; H97-N99 PolarHBondContact CE1-OD1 3.43Å; H97-N99 VanDerWaalsContact CE1-OD1 3.32Å; H97-N99 PolarHBondContact ND1-N 3.3Å; H97-N99 PolarHBondContact O-N 2.83Å; N99-Q149 WeakPolarHBondContact CB-O 3.44Å; N99-Q149 WeakPolarHBondContact ND2-CB 3.32Å; N99-Q149 PolarHBondContact ND2-OE1 2.89Å; N99-Q149 VanDerWaalsContact ND2-OE1 3.13Å; N99-R152 WeakPolarHBondContact OD1-CD 3.34Å; N99-R152 PolarHBondContact OD1-NH1 3.25Å; N99-L180 VanDerWaalsContact CA-O 3.24Å; N99-L180 WeakPolarHBondContact CA-O 3.49Å; N99-L180 WeakPolarHBondContact CB-O 3.37Å; N99-L180 PolarHBondContact ND2-O 3.19Å; N99-K181 WeakPolarHBondContact O-CA 3.45Å; N99-I182 PolarHBondContact O-N 3.45Å
100	V	98.6	Very high	96.4	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.024	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-124.2	136.8	172.4	-179.4	0	0	0	0	108.6	L92 F95 H97 E98 G102 I157 F185	L92-V100 HydrophobicContact CD2-CG1 4.09Å; F95-V100 HydrophobicContact CB-CG1 4.47Å; F95-V100 HydrophobicContact CD2-CG1 4.13Å; H97-V100 HydrophobicContact CB-CB 4.16Å; H97-V100 HydrophobicContact CB-CG2 4.03Å; H97-V100 PolarHBondContact O-N 3.16Å; E98-V100 VanDerWaalsContact C-N 3.33Å; E98-V100 PolarHBondContact O-N 2.91Å; V100-G102 PolarHBondContact O-N 2.82Å; V100-I157 HydrophobicContact CG2-CD1 4.1Å; V100-I157 HydrophobicContact CG2-CG1 4.1Å; V100-F185 HydrophobicContact CG1-CE2 3.75Å; V100-F185 HydrophobicContact CG1-CZ 3.65Å
101	I	97.8	Very high	96.5	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66	132.8	178.7	-164.4	64.1	0	0	0	110.5	L92 Q122 D123 L173 K181 I182 C183	L92-I101 HydrophobicContact CD1-CG2 4.01Å; L92-I101 HydrophobicContact CD2-CG2 4.2Å; L92-I101 VanDerWaalsContact CD2-O 3.22Å; L92-I101 WeakPolarHBondContact CD2-O 3.48Å; I101-Q122 HydrophobicContact CD1-CB 4.22Å; I101-Q122 HydrophobicContact CG1-CB 4.03Å; I101-Q122 HydrophobicContact CG1-CG 4.4Å; I101-D123 HydrophobicContact CD1-CB 3.83Å; I101-L173 HydrophobicContact CD1-CD1 4.33Å; I101-K181 HydrophobicContact CB-CB 4.48Å; I101-K181 HydrophobicContact CD1-CD 3.82Å; I101-I182 WeakPolarHBondContact CG2-O 3.37Å; I101-I182 PolarHBondContact N-O 2.85Å; I101-C183 HydrophobicContact CB-CB 4.13Å; I101-C183 HydrophobicContact CG2-CB 3.64Å
102	G	96.4	Very high	96.5	Very high	22 Å²	22	46.5 Å²	46.5	23%	0.227	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-94.4	165.3	175.8	0	0	0	0	0	113.1	V100 Q122	V100-G102 PolarHBondContact O-N 2.82Å; G102-Q122 WeakPolarHBondContact O-CG 3.24Å
103	I	97.4	Very high	96.5	Very high	26 Å²	26	52.5 Å²	52.5	13%	0.133	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-99.9	122.3	164.6	-66.1	177.8	0	0	0	108.6	L92 L93 I106 I120 F371	L92-I103 HydrophobicContact CB-CD1 3.68Å; L92-I103 HydrophobicContact CB-CG1 3.79Å; L92-I103 HydrophobicContact CD1-CD1 4.28Å; L92-I103 HydrophobicContact CD1-CG1 4.13Å; L93-I103 HydrophobicContact CD2-CB 4.09Å; L93-I103 HydrophobicContact CD2-CD1 4.34Å; L93-I103 HydrophobicContact CD2-CG2 4.09Å; L93-I103 HydrophobicContact CG-CD1 4.24Å; I103-I106 HydrophobicContact CD1-CD1 4.35Å; I103-I106 HydrophobicContact CG2-CD1 3.94Å; I103-I106 HydrophobicContact CG2-CG1 3.56Å; I103-I120 HydrophobicContact CB-CG2 4.46Å; I103-I120 HydrophobicContact CD1-CG2 3.92Å; I103-I120 HydrophobicContact CG1-CG2 3.7Å; I103-I120 HydrophobicContact CG2-CG2 4.14Å; I103-F371 HydrophobicContact CG2-CZ 4.35Å
104	R	96	Very high	96.6	Very high	84 Å²	84	53.5 Å²	53.5	32%	0.317	27%	0.27	S	S	.	.			trans	-92.9	-32.6	178.9	-67.8	-174.9	172.7	-161.7	-0.8	113.4	V121 D123	R104-V121 HydrophobicContact CB-CG1 4.29Å; R104-V121 PolarHBondContact N-O 3.29Å; R104-D123 IonicContact CZ-OD1 3.43Å; R104-D123 IonicContact NE-OD1 3.13Å; R104-D123 PolarHBondContact NE-OD1 3.2Å; R104-D123 IonicContact NH2-OD1 2.82Å; R104-D123 PolarHBondContact NH2-OD1 3.02Å
105	D	97.2	Very high	96.6	Very high	12 Å²	12	49 Å²	49	6%	0.064	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	158.4	-178.7	-157.5	-4.4	0	0	0	109.3	R41 Y42 V121	R41-D105 IonicContact CZ-OD2 3.55Å; R41-D105 IonicContact NH1-OD2 3.85Å; R41-D105 PolarHBondContact NH1-OD2 2.75Å; Y42-D105 WeakPolarHBondContact OH-CB 3.5Å; Y42-D105 PolarHBondContact OH-OD2 3.48Å; Y42-D105 VanDerWaalsContact OH-OD2 3.06Å; D105-V121 HydrophobicContact CB-CB 3.83Å; D105-V121 HydrophobicContact CB-CG2 3.86Å; D105-V121 WeakPolarHBondContact O-CB 3.34Å; D105-V121 PolarHBondContact O-N 2.74Å
106	I	97.7	Very high	96.5	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	119.9	171.9	-53.3	178.2	0	0	0	110.2	I89 L93 I103 V118 Y119 T368 F371	I89-I106 HydrophobicContact CG1-CD1 4.42Å; I89-I106 HydrophobicContact CG2-CD1 4.06Å; L93-I106 HydrophobicContact CD1-CD1 4.45Å; I103-I106 HydrophobicContact CD1-CD1 4.35Å; I103-I106 HydrophobicContact CG2-CD1 3.94Å; I103-I106 HydrophobicContact CG2-CG1 3.56Å; I106-V118 HydrophobicContact CG2-CG1 3.54Å; I106-Y119 CarbonylContact C-O 3.6Å; I106-Y119 WeakPolarHBondContact CA-O 3.38Å; I106-T368 HydrophobicContact CB-CG2 4.28Å; I106-T368 HydrophobicContact CD1-CG2 3.87Å; I106-T368 HydrophobicContact CG2-CG2 3.63Å; I106-F371 HydrophobicContact CB-CB 4.28Å; I106-F371 HydrophobicContact CB-CD2 3.9Å; I106-F371 HydrophobicContact CB-CE2 4.49Å; I106-F371 HydrophobicContact CB-CG 4.06Å; I106-F371 HydrophobicContact CD1-CD2 3.91Å; I106-F371 HydrophobicContact CD1-CE2 3.72Å; I106-F371 HydrophobicContact CD1-CZ 4.46Å; I106-F371 HydrophobicContact CG1-CD2 3.9Å; I106-F371 HydrophobicContact CG1-CE2 3.97Å; I106-F371 HydrophobicContact CG1-CG 4.31Å; I106-F371 HydrophobicContact CG1-CZ 4.43Å; I106-F371 WeakPolarHBondContact O-CB 3.4Å
107	L	97.1	Very high	96.4	Very high	39 Å²	39	46.6 Å²	46.6	20%	0.204	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.2	176.1	-45.8	155	0	0	0	110.3	V38 Y42 Y119 V121	V38-L107 HydrophobicContact CB-CD1 3.7Å; V38-L107 HydrophobicContact CG1-CD1 3.74Å; Y42-L107 HydrophobicContact CD2-CD1 3.63Å; Y42-L107 HydrophobicContact CE2-CD1 3.78Å; Y42-L107 HydrophobicContact CE2-CD2 4.24Å; Y42-L107 HydrophobicContact CE2-CG 4.34Å; L107-Y119 HydrophobicContact CB-CD2 4.19Å; L107-Y119 HydrophobicContact CB-CG 4.49Å; L107-Y119 PolarHBondContact N-O 2.88Å; L107-Y119 PolarHBondContact O-N 3.02Å; L107-V121 HydrophobicContact CD1-CG2 4.46Å
108	R	96	Very high	96.3	Very high	28 Å²	28	45.8 Å²	45.8	11%	0.106	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	168.8	176.2	53.5	135.3	178.7	94.9	-11.7	108.8	M115 T368 Q372	R108-M115 HydrophobicContact CB-CG 4.19Å; R108-M115 HydrophobicContact CB-SD 4.13Å; R108-M115 VanDerWaalsContact CD-SD 3.53Å; R108-M115 HydrophobicContact CG-SD 4.43Å; R108-T368 PolarHBondContact NE-OG1 2.73Å; R108-Q372 VanDerWaalsContact NH1-OE1 3.12Å
109	A	94.9	Very high	96.3	Very high	32 Å²	32	40.2 Å²	40.2	26%	0.264	22%	0.216	S	C	.	.			trans	-60.9	154.7	172.8	0	0	0	0	0	111.9	T111 A114 M115	A109-T111 VanDerWaalsContact C-N 3.33Å; A109-T111 PolarHBondContact O-N 3.18Å; A109-A114 VanDerWaalsContact CB-C 3.45Å; A109-A114 HydrophobicContact CB-CB 3.69Å; A109-A114 WeakPolarHBondContact CB-O 3.04Å; A109-M115 HydrophobicContact CB-CB 4.39Å
110	S	92.9	Very high	96.2	Very high	97 Å²	97	39.9 Å²	39.9	68%	0.678	21%	0.214	S	C	*	.	S	Bend	trans	-68.6	-27.6	-175.9	54.4	0	0	0	0	114.2	F365	S110-F365 WeakPolarHBondContact O-CZ 3.38Å
111	T	95.3	Very high	96.2	Very high	61 Å²	61	39.7 Å²	39.7	37%	0.374	21%	0.213	S	C	.	.	S	Bend	trans	-116.5	156.7	179.6	75.8	0	0	0	0	112.3	A109 E113 A114 M115 F365	A109-T111 VanDerWaalsContact C-N 3.33Å; A109-T111 PolarHBondContact O-N 3.18Å; T111-E113 VanDerWaalsContact C-N 3.29Å; T111-E113 WeakPolarHBondContact CB-OE2 3.36Å; T111-E113 PolarHBondContact O-N 3.31Å; T111-E113 PolarHBondContact OG1-OE2 2.72Å; T111-A114 PolarHBondContact O-N 3.25Å; T111-A114 WeakPolarHBondContact OG1-CB 3.09Å; T111-A114 PolarHBondContact OG1-N 3.06Å; T111-M115 PolarHBondContact O-N 3.47Å; T111-M115 VanDerWaalsContact O-N 3.07Å; T111-F365 VanDerWaalsContact C-CE2 3.45Å
112	L	95.6	Very high	96.2	Very high	43 Å²	43	40.5 Å²	40.5	23%	0.225	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-37.2	-179.6	-178.5	67.2	0	0	0	111.9	M115 K361 E362 F365	L112-M115 HydrophobicContact CD1-CE 4.11Å; L112-M115 PolarHBondContact O-N 3.42Å; L112-K361 HydrophobicContact CD1-CD 4.22Å; L112-K361 HydrophobicContact CD1-CG 3.86Å; L112-K361 VanDerWaalsContact O-CE 3.27Å; L112-K361 WeakPolarHBondContact O-CE 3.3Å; L112-K361 PolarHBondContact O-NZ 2.82Å; L112-E362 HydrophobicContact CD1-CG 4.47Å; L112-E362 HydrophobicContact CD2-CG 3.83Å; L112-F365 HydrophobicContact CB-CD2 4.35Å; L112-F365 HydrophobicContact CB-CE2 4.49Å; L112-F365 HydrophobicContact CB-CG 4.46Å; L112-F365 HydrophobicContact CD1-CB 3.71Å; L112-F365 HydrophobicContact CD1-CD2 4.25Å; L112-F365 HydrophobicContact CD1-CG 3.98Å
113	E	95.5	Very high	96.2	Very high	130 Å²	130	41 Å²	41	61%	0.607	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-39.4	-177.9	-59.2	70.1	-148.9	0	0	111.2	T111	T111-E113 VanDerWaalsContact C-N 3.29Å; T111-E113 WeakPolarHBondContact CB-OE2 3.36Å; T111-E113 PolarHBondContact O-N 3.31Å; T111-E113 PolarHBondContact OG1-OE2 2.72Å
114	A	95.6	Very high	96.1	Very high	51 Å²	51	42.1 Å²	42.1	42%	0.421	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-18.2	179	0	0	0	0	0	112.9	A109 T111 R116	A109-A114 VanDerWaalsContact CB-C 3.45Å; A109-A114 HydrophobicContact CB-CB 3.69Å; A109-A114 WeakPolarHBondContact CB-O 3.04Å; T111-A114 PolarHBondContact O-N 3.25Å; T111-A114 WeakPolarHBondContact OG1-CB 3.09Å; T111-A114 PolarHBondContact OG1-N 3.06Å; A114-R116 PolarHBondContact O-N 3.18Å
115	M	96	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.			trans	-68.1	100.8	-179.6	-174	176.3	67.6	0	0	111	F76 R108 A109 T111 L112 V118 K361 I364 F365	F76-M115 HydrophobicContact CE1-CE 3.85Å; F76-M115 HydrophobicContact CE2-CE 4.08Å; F76-M115 HydrophobicContact CE2-CG 3.78Å; F76-M115 HydrophobicContact CE2-SD 4.35Å; F76-M115 HydrophobicContact CZ-CE 3.43Å; F76-M115 VanDerWaalsContact CZ-CE 3.43Å; F76-M115 HydrophobicContact CZ-CG 3.97Å; F76-M115 HydrophobicContact CZ-SD 3.91Å; R108-M115 HydrophobicContact CB-CG 4.19Å; R108-M115 HydrophobicContact CB-SD 4.13Å; R108-M115 VanDerWaalsContact CD-SD 3.53Å; R108-M115 HydrophobicContact CG-SD 4.43Å; A109-M115 HydrophobicContact CB-CB 4.39Å; T111-M115 PolarHBondContact O-N 3.47Å; T111-M115 VanDerWaalsContact O-N 3.07Å; L112-M115 HydrophobicContact CD1-CE 4.11Å; L112-M115 PolarHBondContact O-N 3.42Å; M115-V118 HydrophobicContact SD-CG2 4.24Å; M115-K361 HydrophobicContact CE-CD 4.35Å; M115-K361 HydrophobicContact CE-CG 3.53Å; M115-K361 WeakPolarHBondContact CE-O 3.25Å; M115-K361 WeakPolarHBondContact O-CE 3.27Å; M115-K361 PolarHBondContact O-NZ 2.94Å; M115-I364 HydrophobicContact CE-CG2 4.45Å; M115-F365 HydrophobicContact CE-CB 3.86Å; M115-F365 HydrophobicContact CE-CD2 4.16Å; M115-F365 HydrophobicContact SD-CB 4.4Å; M115-F365 HydrophobicContact SD-CD2 3.95Å
116	R	94	Very high	96	Very high	162 Å²	162	43.4 Å²	43.4	61%	0.611	23%	0.229	S	C	*	.			trans	-103	-37.1	173.5	-59.5	-60.2	175.1	178.2	-4.1	112.4	F76 A114	F76-R116 VanDerWaalsContact CD2-O 3.24Å; F76-R116 WeakPolarHBondContact CD2-O 3.35Å; F76-R116 WeakPolarHBondContact CE2-O 3.16Å; A114-R116 PolarHBondContact O-N 3.18Å
117	D	95.3	Very high	95.9	Very high	33 Å²	33	45.1 Å²	45.1	18%	0.176	24%	0.24	C	C	.	.			trans	-124.9	151.7	-176.7	-59.8	-47.7	0	0	0	110.2	K72 I73 S74 Y119	K72-D117 WeakPolarHBondContact CE-OD1 3.41Å; K72-D117 WeakPolarHBondContact CE-OD2 3.37Å; K72-D117 HydrophobicContact CG-CB 4.47Å; K72-D117 IonicContact NZ-OD1 3.78Å; K72-D117 IonicContact NZ-OD2 2.7Å; K72-D117 PolarHBondContact NZ-OD2 2.82Å; I73-D117 CarbonylContact O-C 3.57Å; I73-D117 VanDerWaalsContact O-CA 3.32Å; I73-D117 WeakPolarHBondContact O-CA 3.11Å; S74-D117 WeakPolarHBondContact CB-OD1 3.48Å; S74-D117 PolarHBondContact OG-OD1 2.87Å; D117-Y119 HydrophobicContact CB-CE2 3.85Å
118	V	96.7	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.3	168.3	-178	0	0	0	0	107.9	I73 F76 I89 I106 M115 I120 I364	I73-V118 PolarHBondContact N-O 3.48Å; I73-V118 PolarHBondContact O-N 3.26Å; F76-V118 HydrophobicContact CE2-CG2 4.19Å; F76-V118 HydrophobicContact CZ-CG2 3.74Å; I89-V118 HydrophobicContact CD1-CG1 4.47Å; I106-V118 HydrophobicContact CG2-CG1 3.54Å; M115-V118 HydrophobicContact SD-CG2 4.24Å; V118-I120 HydrophobicContact CG1-CG1 4.24Å; V118-I364 HydrophobicContact CG2-CG2 4.05Å
119	Y	97.3	Very high	96	Very high	12 Å²	12	42.7 Å²	42.7	5%	0.047	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.1	178.7	-54.4	-96.3	0	0	0	109	F36 D37 V38 I70 K71 K72 I106 L107 D117	F36-Y119 AromaticContact CD1-CD1 4Å; F36-Y119 HydrophobicContact CD1-CD1 4Å; F36-Y119 AromaticContact CD1-CE1 3.87Å; F36-Y119 HydrophobicContact CD1-CE1 3.87Å; F36-Y119 HydrophobicContact CE1-CD1 4.05Å; F36-Y119 HydrophobicContact CE1-CE1 4.24Å; F36-Y119 HydrophobicContact CG-CE1 4.15Å; D37-Y119 PolarHBondContact N-OH 3.26Å; D37-Y119 VanDerWaalsContact N-OH 3.14Å; V38-Y119 HydrophobicContact CG1-CD1 3.4Å; V38-Y119 HydrophobicContact CG1-CD2 4.26Å; V38-Y119 HydrophobicContact CG1-CE1 3.79Å; V38-Y119 HydrophobicContact CG1-CG 3.67Å; I70-Y119 HydrophobicContact CG2-CD1 4.26Å; K71-Y119 CarbonylContact O-C 3.6Å; K71-Y119 WeakPolarHBondContact O-CA 3.43Å; K72-Y119 HydrophobicContact CB-CD1 3.77Å; K72-Y119 HydrophobicContact CB-CE1 3.82Å; K72-Y119 HydrophobicContact CD-CD1 4.48Å; K72-Y119 HydrophobicContact CD-CE1 3.67Å; K72-Y119 HydrophobicContact CG-CD1 3.9Å; K72-Y119 HydrophobicContact CG-CE1 3.53Å; I106-Y119 CarbonylContact C-O 3.6Å; I106-Y119 WeakPolarHBondContact CA-O 3.38Å; L107-Y119 HydrophobicContact CB-CD2 4.19Å; L107-Y119 HydrophobicContact CB-CG 4.49Å; L107-Y119 PolarHBondContact N-O 2.88Å; L107-Y119 PolarHBondContact O-N 3.02Å; D117-Y119 HydrophobicContact CB-CE2 3.85Å
120	I	97.1	Very high	96	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.2	179.4	-55.5	-178.9	0	0	0	108.3	I70 K71 I73 I89 I103 V118 Q122	I70-I120 WeakPolarHBondContact CA-O 3.39Å; K71-I120 PolarHBondContact N-O 2.81Å; K71-I120 PolarHBondContact O-N 3.39Å; I73-I120 HydrophobicContact CD1-CD1 3.6Å; I73-I120 HydrophobicContact CD1-CG1 4.19Å; I89-I120 HydrophobicContact CD1-CD1 4.32Å; I89-I120 HydrophobicContact CG1-CD1 3.87Å; I103-I120 HydrophobicContact CB-CG2 4.46Å; I103-I120 HydrophobicContact CD1-CG2 3.92Å; I103-I120 HydrophobicContact CG1-CG2 3.7Å; I103-I120 HydrophobicContact CG2-CG2 4.14Å; V118-I120 HydrophobicContact CG1-CG1 4.24Å; I120-Q122 HydrophobicContact CG2-CG 3.92Å
121	V	97.9	Very high	96.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.8	178.7	-173.7	0	0	0	0	109.6	Y42 V68 A69 I70 R104 D105 L107	Y42-V121 HydrophobicContact CE1-CG1 3.88Å; Y42-V121 HydrophobicContact CE1-CG2 4.35Å; Y42-V121 HydrophobicContact CE2-CG2 3.98Å; V68-V121 HydrophobicContact CB-CG1 3.81Å; V68-V121 HydrophobicContact CG1-CG1 4.12Å; V68-V121 HydrophobicContact CG2-CG1 3.76Å; A69-V121 CarbonylContact O-C 3.58Å; A69-V121 WeakPolarHBondContact O-CA 3.13Å; I70-V121 HydrophobicContact CD1-CG2 4.37Å; I70-V121 HydrophobicContact CG1-CG1 4.45Å; I70-V121 HydrophobicContact CG1-CG2 4.18Å; I70-V121 HydrophobicContact CG2-CG2 4.47Å; R104-V121 HydrophobicContact CB-CG1 4.29Å; R104-V121 PolarHBondContact N-O 3.29Å; D105-V121 HydrophobicContact CB-CB 3.83Å; D105-V121 HydrophobicContact CB-CG2 3.86Å; D105-V121 WeakPolarHBondContact O-CB 3.34Å; D105-V121 PolarHBondContact O-N 2.74Å; L107-V121 HydrophobicContact CD1-CG2 4.46Å
122	Q	97.6	Very high	96.3	Very high	18 Å²	18	43.8 Å²	43.8	8%	0.084	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	172.1	-173.6	-54.9	-173.8	-75.8	0	0	111.4	A69 I101 G102 I120 L124	A69-Q122 PolarHBondContact N-O 3.32Å; A69-Q122 VanDerWaalsContact N-O 3.08Å; A69-Q122 PolarHBondContact O-N 3.05Å; I101-Q122 HydrophobicContact CD1-CB 4.22Å; I101-Q122 HydrophobicContact CG1-CB 4.03Å; I101-Q122 HydrophobicContact CG1-CG 4.4Å; G102-Q122 WeakPolarHBondContact O-CG 3.24Å; I120-Q122 HydrophobicContact CG2-CG 3.92Å; Q122-L124 PolarHBondContact O-N 2.79Å
123	D	96.1	Very high	96.4	Very high	31 Å²	31	42.1 Å²	42.1	17%	0.166	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	134.5	168.2	-58	-28.9	0	0	0	109.6	I101 R104 K181	I101-D123 HydrophobicContact CD1-CB 3.83Å; R104-D123 IonicContact CZ-OD1 3.43Å; R104-D123 IonicContact NE-OD1 3.13Å; R104-D123 PolarHBondContact NE-OD1 3.2Å; R104-D123 IonicContact NH2-OD1 2.82Å; R104-D123 PolarHBondContact NH2-OD1 3.02Å; D123-K181 WeakPolarHBondContact OD2-CE 3.28Å; D123-K181 IonicContact OD2-NZ 2.95Å; D123-K181 PolarHBondContact OD2-NZ 2.8Å
124	L	96.9	Very high	96.4	Very high	50 Å²	50	42.8 Å²	42.8	26%	0.262	20%	0.202	S	C	.	.			trans	-78.4	127.7	170.3	-178.3	61.3	0	0	0	108.8	I48 R67 A69 Q122	I48-L124 HydrophobicContact CD1-CD1 3.54Å; R67-L124 HydrophobicContact CB-CD2 3.6Å; A69-L124 HydrophobicContact CB-CD1 4.09Å; Q122-L124 PolarHBondContact O-N 2.79Å
125	M	96.4	Very high	96.4	Very high	20 Å²	20	44.2 Å²	44.2	10%	0.099	21%	0.209	C	C	.	.			trans	-119.1	140.9	175	-54.7	-67.1	-73.7	0	0	108.7	L173 N175 D179 K181	M125-L173 HydrophobicContact CB-CB 3.68Å; M125-L173 HydrophobicContact CB-CD1 4.26Å; M125-L173 HydrophobicContact CB-CG 4.47Å; M125-L173 HydrophobicContact CE-CB 4.12Å; M125-L173 HydrophobicContact CG-CB 3.61Å; M125-L173 HydrophobicContact CG-CD1 3.87Å; M125-L173 HydrophobicContact CG-CG 4.38Å; M125-N175 HydrophobicContact CE-CB 3.96Å; M125-N175 HydrophobicContact SD-CB 4.24Å; M125-D179 WeakPolarHBondContact CE-O 3.4Å; M125-K181 HydrophobicContact CE-CB 4.17Å; M125-K181 HydrophobicContact CE-CD 4.11Å; M125-K181 HydrophobicContact CE-CG 4.06Å; M125-K181 HydrophobicContact SD-CD 3.88Å; M125-K181 HydrophobicContact SD-CG 4.48Å
126	E	93.4	Very high	96.3	Very high	103 Å²	103	49.5 Å²	49.5	48%	0.481	23%	0.234	S	C	.	.	S	Bend	trans	-76.5	-35.2	-169.1	-72.5	90.8	137.9	0	0	113	I174 N175 T176	E126-I174 PolarHBondContact N-O 3.21Å; E126-N175 WeakPolarHBondContact OE2-CA 3.42Å; E126-N175 WeakPolarHBondContact OE2-CB 3.18Å; E126-T176 HydrophobicContact CG-CG2 3.84Å; E126-T176 WeakPolarHBondContact OE1-CB 3.29Å; E126-T176 WeakPolarHBondContact OE1-CG2 3.32Å; E126-T176 PolarHBondContact OE1-N 2.77Å; E126-T176 VanDerWaalsContact OE1-N 3.15Å; E126-T176 PolarHBondContact OE1-OG1 2.83Å
127	T	95.5	Very high	96.4	Very high	37 Å²	37	48.7 Å²	48.7	23%	0.227	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	178.9	178	-167	0	0	0	0	111.3	K131 L173 I174	T127-K131 WeakPolarHBondContact OG1-CB 3.49Å; T127-L173 WeakPolarHBondContact O-CA 3.42Å; T127-I174 HydrophobicContact CG2-CB 4.04Å; T127-I174 PolarHBondContact N-O 2.94Å; T127-I174 PolarHBondContact O-N 2.7Å
128	D	96.9	Very high	96.5	Very high	16 Å²	16	48.4 Å²	48.4	9%	0.086	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	160.5	165.9	53	69.8	0	0	0	109.3	Y130 K131 L132 L172 L173	D128-Y130 PolarHBondContact O-N 3Å; D128-Y130 WeakPolarHBondContact OD1-CB 3.39Å; D128-Y130 PolarHBondContact OD1-N 2.92Å; D128-K131 PolarHBondContact O-N 3.17Å; D128-K131 WeakPolarHBondContact OD1-CG 3.37Å; D128-K131 PolarHBondContact OD1-N 2.98Å; D128-K131 VanDerWaalsContact OD2-CD 3.29Å; D128-K131 WeakPolarHBondContact OD2-CD 3.25Å; D128-K131 WeakPolarHBondContact OD2-CE 3.22Å; D128-K131 IonicContact OD2-NZ 3.18Å; D128-K131 PolarHBondContact OD2-NZ 3.38Å; D128-L132 PolarHBondContact O-N 3.31Å; D128-L172 CarbonylContact C-O 3.51Å; D128-L172 VanDerWaalsContact CA-O 3.28Å; D128-L172 WeakPolarHBondContact CA-O 3.28Å; D128-L173 HydrophobicContact CB-CD2 4.18Å
129	L	98.1	Very high	96.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-31.7	-179.5	-175.5	65.5	0	0	0	111.3	L132 L133 L138 F146 P169 L172 I174 I234 M238	L129-L132 HydrophobicContact CD1-CD2 4.29Å; L129-L132 PolarHBondContact O-N 3.5Å; L129-L133 HydrophobicContact CD1-CD1 4.26Å; L129-L133 HydrophobicContact CD1-CD2 4.44Å; L129-L133 HydrophobicContact CD1-CG 4.09Å; L129-L133 HydrophobicContact CD2-CD1 4.35Å; L129-L133 HydrophobicContact CG-CD1 3.87Å; L129-L133 HydrophobicContact CG-CG 4.13Å; L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 VanDerWaalsContact O-CG 3.23Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 2.87Å; L129-L138 HydrophobicContact CD1-CD1 4.26Å; L129-F146 HydrophobicContact CD1-CD2 4.35Å; L129-P169 HydrophobicContact CB-CB 4.03Å; L129-P169 WeakPolarHBondContact CB-O 3.44Å; L129-P169 HydrophobicContact CD2-CB 4.19Å; L129-P169 HydrophobicContact CG-CB 4.09Å; L129-P169 PolarHBondContact N-O 3.38Å; L129-L172 HydrophobicContact CB-CB 4.03Å; L129-L172 HydrophobicContact CD2-CD1 3.69Å; L129-L172 PolarHBondContact N-O 2.96Å; L129-I174 HydrophobicContact CB-CD1 3.89Å; L129-I174 HydrophobicContact CD1-CD1 3.84Å; L129-I174 HydrophobicContact CG-CD1 4.48Å; L129-I234 HydrophobicContact CD2-CG2 3.69Å; L129-M238 HydrophobicContact CD1-CG 4.32Å; L129-M238 HydrophobicContact CD1-SD 4.22Å; L129-M238 HydrophobicContact CD2-CG 4.03Å; L129-M238 HydrophobicContact CD2-SD 3.95Å
130	Y	96.6	Very high	96.6	Very high	88 Å²	88	53.1 Å²	53.1	35%	0.345	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-49	176.6	175.9	-104.1	0	0	0	112.7	D128 L132 L133 K134 P169	D128-Y130 PolarHBondContact O-N 3Å; D128-Y130 WeakPolarHBondContact OD1-CB 3.39Å; D128-Y130 PolarHBondContact OD1-N 2.92Å; Y130-L132 VanDerWaalsContact C-N 3.33Å; Y130-L133 PolarHBondContact O-N 3.44Å; Y130-K134 HydrophobicContact CE1-CD 4.16Å; Y130-K134 VanDerWaalsContact CE1-CE 3.45Å; Y130-K134 VanDerWaalsContact CE1-NZ 3.28Å; Y130-K134 VanDerWaalsContact CZ-NZ 3.26Å; Y130-K134 PolarHBondContact O-N 3.01Å; Y130-K134 WeakPolarHBondContact OH-CE 3.23Å; Y130-K134 PolarHBondContact OH-NZ 2.96Å; Y130-P169 PolarHBondContact N-O 3.45Å; Y130-P169 VanDerWaalsContact N-O 3.14Å
131	K	96.2	Very high	96.7	Very high	94 Å²	94	57.7 Å²	57.7	41%	0.409	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-37.8	175.3	-73.1	171.8	-170.4	140.6	0	111.8	T127 D128 K134 S135	T127-K131 WeakPolarHBondContact OG1-CB 3.49Å; D128-K131 PolarHBondContact O-N 3.17Å; D128-K131 WeakPolarHBondContact OD1-CG 3.37Å; D128-K131 PolarHBondContact OD1-N 2.98Å; D128-K131 VanDerWaalsContact OD2-CD 3.29Å; D128-K131 WeakPolarHBondContact OD2-CD 3.25Å; D128-K131 WeakPolarHBondContact OD2-CE 3.22Å; D128-K131 IonicContact OD2-NZ 3.18Å; D128-K131 PolarHBondContact OD2-NZ 3.38Å; K131-K134 PolarHBondContact O-N 3.36Å; K131-S135 PolarHBondContact O-N 2.95Å; K131-S135 PolarHBondContact O-OG 3.37Å; K131-S135 VanDerWaalsContact O-OG 3.08Å
132	L	97.2	Very high	96.7	Very high	31 Å²	31	61.5 Å²	61.5	16%	0.162	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-49.1	177.1	-173.1	62.3	0	0	0	110.8	D128 L129 Y130 K134 S135 Q136 L138 F146 I174	D128-L132 PolarHBondContact O-N 3.31Å; L129-L132 HydrophobicContact CD1-CD2 4.29Å; L129-L132 PolarHBondContact O-N 3.5Å; Y130-L132 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 2.99Å; L132-S135 PolarHBondContact O-N 3.25Å; L132-S135 PolarHBondContact O-OG 3.44Å; L132-Q136 HydrophobicContact CD1-CB 3.91Å; L132-Q136 HydrophobicContact CD1-CG 3.74Å; L132-Q136 HydrophobicContact CG-CB 4.46Å; L132-Q136 PolarHBondContact O-N 3.08Å; L132-L138 HydrophobicContact CD2-CD2 3.84Å; L132-L138 HydrophobicContact CG-CD2 4.08Å; L132-F146 HydrophobicContact CD2-CE2 3.88Å; L132-F146 HydrophobicContact CD2-CZ 4.03Å; L132-I174 HydrophobicContact CD2-CD1 3.82Å
133	L	97.6	Very high	96.8	Very high	8 Å²	8	61 Å²	61	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-66.5	-18.7	179.5	-66.5	176	0	0	0	113.8	L129 Y130 L138 P169 E237 M238 N241	L129-L133 HydrophobicContact CD1-CD1 4.26Å; L129-L133 HydrophobicContact CD1-CD2 4.44Å; L129-L133 HydrophobicContact CD1-CG 4.09Å; L129-L133 HydrophobicContact CD2-CD1 4.35Å; L129-L133 HydrophobicContact CG-CD1 3.87Å; L129-L133 HydrophobicContact CG-CG 4.13Å; L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 VanDerWaalsContact O-CG 3.23Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 2.87Å; Y130-L133 PolarHBondContact O-N 3.44Å; L133-L138 HydrophobicContact CD2-CD1 3.65Å; L133-L138 HydrophobicContact CD2-CG 4.03Å; L133-P169 HydrophobicContact CD1-CB 4.42Å; L133-P169 HydrophobicContact CD1-CG 4.43Å; L133-E237 HydrophobicContact CD1-CB 4.43Å; L133-E237 HydrophobicContact CD1-CG 3.93Å; L133-M238 HydrophobicContact CD1-CG 4.26Å; L133-M238 HydrophobicContact CD2-CG 4.32Å; L133-N241 PolarHBondContact O-ND2 2.94Å
134	K	96.4	Very high	96.9	Very high	144 Å²	144	59.6 Å²	59.6	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-76.1	-25.1	171	-79	-173.8	174	178.9	0	114.2	Y130 K131 L132	Y130-K134 HydrophobicContact CE1-CD 4.16Å; Y130-K134 VanDerWaalsContact CE1-CE 3.45Å; Y130-K134 VanDerWaalsContact CE1-NZ 3.28Å; Y130-K134 VanDerWaalsContact CZ-NZ 3.26Å; Y130-K134 PolarHBondContact O-N 3.01Å; Y130-K134 WeakPolarHBondContact OH-CE 3.23Å; Y130-K134 PolarHBondContact OH-NZ 2.96Å; K131-K134 PolarHBondContact O-N 3.36Å; L132-K134 PolarHBondContact O-N 2.99Å
135	S	94.5	Very high	97	Very high	80 Å²	80	60.2 Å²	60.2	56%	0.559	30%	0.297	S	S	*	.	H	α-helix	trans	-118.8	-21.3	-167.5	57.1	0	0	0	0	113.9	K131 L132	K131-S135 PolarHBondContact O-N 2.95Å; K131-S135 PolarHBondContact O-OG 3.37Å; K131-S135 VanDerWaalsContact O-OG 3.08Å; L132-S135 PolarHBondContact O-N 3.25Å; L132-S135 PolarHBondContact O-OG 3.44Å
136	Q	94.9	Very high	97.1	Very high	112 Å²	112	59.4 Å²	59.4	52%	0.523	29%	0.293	S	S	.	.			trans	-132.3	140.6	-172.5	-60.8	-60.4	-28.3	0	0	111.8	L132 N241	L132-Q136 HydrophobicContact CD1-CB 3.91Å; L132-Q136 HydrophobicContact CD1-CG 3.74Å; L132-Q136 HydrophobicContact CG-CB 4.46Å; L132-Q136 PolarHBondContact O-N 3.08Å; Q136-N241 PolarHBondContact O-ND2 2.67Å
137	Q	95.4	Very high	97.3	Very high	145 Å²	145	54.5 Å²	54.5	68%	0.678	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-88.6	125.3	166.1	-70.7	-71.2	-32.6	0	0	108.2	N241	Q137-N241 PolarHBondContact NE2-OD1 2.94Å; Q137-N241 PolarHBondContact OE1-OD1 3.26Å
138	L	97.6	Very high	97.5	Very high	26 Å²	26	53.5 Å²	53.5	14%	0.136	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-83.1	138.9	-177	-58.9	-177.3	0	0	0	110.7	L129 L132 L133 H142 I143 F146 M238	L129-L138 HydrophobicContact CD1-CD1 4.26Å; L132-L138 HydrophobicContact CD2-CD2 3.84Å; L132-L138 HydrophobicContact CG-CD2 4.08Å; L133-L138 HydrophobicContact CD2-CD1 3.65Å; L133-L138 HydrophobicContact CD2-CG 4.03Å; L138-H142 HydrophobicContact CB-CB 4.38Å; L138-I143 HydrophobicContact CB-CD1 4.13Å; L138-I143 HydrophobicContact CB-CG1 3.63Å; L138-I143 HydrophobicContact CD1-CG1 4.2Å; L138-F146 HydrophobicContact CD1-CD2 4.05Å; L138-F146 HydrophobicContact CD1-CE2 4.14Å; L138-F146 HydrophobicContact CD2-CE2 4.16Å; L138-M238 HydrophobicContact CD1-CB 4.21Å; L138-M238 HydrophobicContact CD1-CG 4.09Å; L138-M238 HydrophobicContact CD1-SD 4.29Å
139	S	98.2	Very high	97.6	Very high	53 Å²	53	53 Å²	53	37%	0.371	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-72.7	159	166.7	67.3	0	0	0	0	110.2	D141 H142 I143	S139-D141 PolarHBondContact O-N 3.36Å; S139-H142 PolarHBondContact O-N 3.12Å; S139-H142 VanDerWaalsContact O-N 3.12Å; S139-H142 PolarHBondContact OG-N 2.89Å; S139-H142 PolarHBondContact OG-ND1 3.01Å; S139-I143 WeakPolarHBondContact O-CG1 3.43Å; S139-I143 PolarHBondContact O-N 2.82Å
140	N	98.3	Very high	97.6	Very high	58 Å²	58	53 Å²	53	31%	0.31	26%	0.259	S	S	.	.	H	α-helix	trans	-54.5	-38.7	176.6	-179.1	66.5	0	0	0	112.4	I143 C144 Y329	N140-I143 PolarHBondContact O-N 3.13Å; N140-C144 WeakPolarHBondContact O-CB 3.49Å; N140-C144 PolarHBondContact O-N 2.87Å; N140-Y329 PolarHBondContact O-OH 3.32Å; N140-Y329 WeakPolarHBondContact OD1-CE2 3.35Å; N140-Y329 PolarHBondContact OD1-OH 3.08Å
141	D	98.3	Very high	97.8	Very high	97 Å²	97	48.8 Å²	48.8	52%	0.519	24%	0.243	S	C	.	.	H	α-helix	trans	-65	-41.1	179.6	-55.4	-25.9	0	0	0	112	S139 C144 Y145	S139-D141 PolarHBondContact O-N 3.36Å; D141-C144 PolarHBondContact O-N 3.48Å; D141-Y145 WeakPolarHBondContact O-CB 3.49Å; D141-Y145 PolarHBondContact O-N 3Å
142	H	98.4	Very high	97.9	Very high	81 Å²	81	44.9 Å²	44.9	38%	0.375	23%	0.225	S	C	.	.	H	α-helix	trans	-64.4	-42.3	173.3	-73.2	110.3	0	0	0	111.6	L138 S139 Y145 F146	L138-H142 HydrophobicContact CB-CB 4.38Å; S139-H142 PolarHBondContact O-N 3.12Å; S139-H142 VanDerWaalsContact O-N 3.12Å; S139-H142 PolarHBondContact OG-N 2.89Å; S139-H142 PolarHBondContact OG-ND1 3.01Å; H142-Y145 PolarHBondContact O-N 2.81Å; H142-F146 HydrophobicContact CB-CD2 4.37Å; H142-F146 HydrophobicContact CB-CE2 4.07Å; H142-F146 WeakPolarHBondContact O-CB 3.37Å; H142-F146 WeakPolarHBondContact O-CD2 3.29Å; H142-F146 VanDerWaalsContact O-CG 3.3Å; H142-F146 WeakPolarHBondContact O-CG 3.38Å; H142-F146 PolarHBondContact O-N 2.88Å
143	I	98.8	Very high	98	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.036	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-46.8	177.6	-62.9	176.3	0	0	0	110.3	L138 S139 N140 L147 L235 M238 L239	L138-I143 HydrophobicContact CB-CD1 4.13Å; L138-I143 HydrophobicContact CB-CG1 3.63Å; L138-I143 HydrophobicContact CD1-CG1 4.2Å; S139-I143 WeakPolarHBondContact O-CG1 3.43Å; S139-I143 PolarHBondContact O-N 2.82Å; N140-I143 PolarHBondContact O-N 3.13Å; I143-L147 VanDerWaalsContact O-CB 3.23Å; I143-L147 WeakPolarHBondContact O-CB 3.49Å; I143-L147 PolarHBondContact O-N 3.21Å; I143-L235 HydrophobicContact CG2-CD1 3.65Å; I143-M238 HydrophobicContact CD1-CB 4.45Å; I143-M238 WeakPolarHBondContact CD1-O 3.41Å; I143-M238 HydrophobicContact CG1-CB 4.16Å; I143-M238 HydrophobicContact CG2-CB 4.15Å; I143-M238 HydrophobicContact CG2-CE 4.13Å; I143-L239 HydrophobicContact CD1-CD2 3.85Å; I143-L239 HydrophobicContact CG2-CD2 4.25Å
144	C	98.8	Very high	98	Very high	1 Å²	1	43 Å²	43	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-46.7	177.3	-175.8	0	0	0	0	111.1	N140 D141 L147 Y148 Y329 Q332 Y333	N140-C144 WeakPolarHBondContact O-CB 3.49Å; N140-C144 PolarHBondContact O-N 2.87Å; D141-C144 PolarHBondContact O-N 3.48Å; C144-L147 PolarHBondContact O-N 3.26Å; C144-Y148 WeakPolarHBondContact O-CB 3.27Å; C144-Y148 PolarHBondContact O-N 3.18Å; C144-Y329 HydrophobicContact CB-CE1 4.12Å; C144-Y329 HydrophobicContact CB-CE2 4.35Å; C144-Y329 PolarHBondContact N-OH 3.36Å; C144-Y329 PolarHBondContact SG-O 3.06Å; C144-Q332 PolarHBondContact SG-NE2 2.92Å; C144-Y333 HydrophobicContact CB-CE2 4.36Å
145	Y	98.8	Very high	98.1	Very high	64 Å²	64	37.2 Å²	37.2	25%	0.251	19%	0.191	S	C	.	.	H	α-helix	trans	-66.7	-43.6	-179.6	-173.1	-129.7	0	0	0	113	D141 H142 Y148 Q149 C178 Y333	D141-Y145 WeakPolarHBondContact O-CB 3.49Å; D141-Y145 PolarHBondContact O-N 3Å; H142-Y145 PolarHBondContact O-N 2.81Å; Y145-Y148 PolarHBondContact O-N 3.01Å; Y145-Q149 VanDerWaalsContact CD1-NE2 3.31Å; Y145-Q149 HydrophobicContact CD2-CG 4.48Å; Y145-Q149 HydrophobicContact CE2-CG 4.17Å; Y145-Q149 VanDerWaalsContact CZ-NE2 3.33Å; Y145-Q149 WeakPolarHBondContact O-CG 3.44Å; Y145-Q149 PolarHBondContact O-N 2.87Å; Y145-Q149 VanDerWaalsContact O-N 3.07Å; Y145-C178 HydrophobicContact CD1-CB 4.37Å; Y145-C178 HydrophobicContact CE1-CB 4.23Å; Y145-C178 WeakPolarHBondContact CE1-O 3.1Å; Y145-Y333 HydrophobicContact CD2-CD1 4.18Å; Y145-Y333 AromaticContact CD2-CE1 3.7Å; Y145-Y333 HydrophobicContact CD2-CE1 3.7Å; Y145-Y333 HydrophobicContact CD2-CE2 4.08Å; Y145-Y333 AromaticContact CD2-CZ 3.66Å; Y145-Y333 HydrophobicContact CE2-CE1 4.23Å
146	F	98.9	Very high	98.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-42.4	174.9	-67.4	-40.5	0	0	0	111.6	L129 L132 L138 H142 Y148 Q149 I150 I174 C178 L180 M238	L129-F146 HydrophobicContact CD1-CD2 4.35Å; L132-F146 HydrophobicContact CD2-CE2 3.88Å; L132-F146 HydrophobicContact CD2-CZ 4.03Å; L138-F146 HydrophobicContact CD1-CD2 4.05Å; L138-F146 HydrophobicContact CD1-CE2 4.14Å; L138-F146 HydrophobicContact CD2-CE2 4.16Å; H142-F146 HydrophobicContact CB-CD2 4.37Å; H142-F146 HydrophobicContact CB-CE2 4.07Å; H142-F146 WeakPolarHBondContact O-CB 3.37Å; H142-F146 WeakPolarHBondContact O-CD2 3.29Å; H142-F146 VanDerWaalsContact O-CG 3.3Å; H142-F146 WeakPolarHBondContact O-CG 3.38Å; H142-F146 PolarHBondContact O-N 2.88Å; F146-Y148 VanDerWaalsContact C-N 3.35Å; F146-Y148 PolarHBondContact O-N 3.43Å; F146-Q149 PolarHBondContact O-N 3.4Å; F146-I150 WeakPolarHBondContact O-CD1 3.35Å; F146-I150 WeakPolarHBondContact O-CG1 3.11Å; F146-I150 PolarHBondContact O-N 3.06Å; F146-I174 HydrophobicContact CD1-CD1 4.41Å; F146-I174 HydrophobicContact CE1-CD1 3.97Å; F146-I174 HydrophobicContact CE1-CG1 4.33Å; F146-I174 HydrophobicContact CE1-CG2 3.99Å; F146-I174 HydrophobicContact CE2-CD1 4.42Å; F146-I174 HydrophobicContact CZ-CD1 3.99Å; F146-I174 HydrophobicContact CZ-CG2 4.22Å; F146-C178 HydrophobicContact CE1-CB 3.83Å; F146-C178 HydrophobicContact CZ-CB 4.12Å; F146-L180 HydrophobicContact CB-CD1 4.16Å; F146-L180 HydrophobicContact CD1-CB 4.48Å; F146-L180 HydrophobicContact CD1-CD1 4.03Å; F146-L180 HydrophobicContact CG-CD1 4.39Å; F146-M238 HydrophobicContact CB-SD 3.95Å; F146-M238 HydrophobicContact CD2-SD 4.39Å
147	L	98.9	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-44	177.3	-175.5	64.7	0	0	0	111.7	I143 C144 I150 L151 V231 L235 M238 L306 M310 Y329 L330	I143-L147 VanDerWaalsContact O-CB 3.23Å; I143-L147 WeakPolarHBondContact O-CB 3.49Å; I143-L147 PolarHBondContact O-N 3.21Å; C144-L147 PolarHBondContact O-N 3.26Å; L147-I150 PolarHBondContact O-N 3.32Å; L147-L151 HydrophobicContact CD1-CD1 4.24Å; L147-L151 HydrophobicContact CD1-CG 4.42Å; L147-L151 HydrophobicContact CG-CD1 3.98Å; L147-L151 WeakPolarHBondContact O-CG 3.39Å; L147-L151 PolarHBondContact O-N 3.31Å; L147-V231 HydrophobicContact CD1-CG1 3.58Å; L147-L235 HydrophobicContact CD1-CB 4.38Å; L147-L235 HydrophobicContact CD2-CD1 4.03Å; L147-L235 HydrophobicContact CD2-CD2 3.87Å; L147-L235 HydrophobicContact CD2-CG 4.46Å; L147-M238 HydrophobicContact CB-CE 4.25Å; L147-L306 HydrophobicContact CD2-CD2 3.68Å; L147-M310 HydrophobicContact CD1-CE 4.28Å; L147-Y329 HydrophobicContact CD2-CD1 3.9Å; L147-Y329 HydrophobicContact CD2-CE1 3.87Å; L147-L330 HydrophobicContact CB-CD2 4.42Å; L147-L330 HydrophobicContact CD2-CD2 4.22Å; L147-L330 HydrophobicContact CG-CD2 4.43Å
148	Y	98.9	Very high	98.6	Very high	17 Å²	17	22.1 Å²	22.1	7%	0.067	11%	0.111	C	C	.	.	H	α-helix	trans	-56.4	-52.3	174.7	170.4	-103	0	0	0	111.5	C144 Y145 F146 I150 L151 R152 L325 Y333	C144-Y148 WeakPolarHBondContact O-CB 3.27Å; C144-Y148 PolarHBondContact O-N 3.18Å; Y145-Y148 PolarHBondContact O-N 3.01Å; F146-Y148 VanDerWaalsContact C-N 3.35Å; F146-Y148 PolarHBondContact O-N 3.43Å; Y148-I150 VanDerWaalsContact C-N 3.33Å; Y148-I150 PolarHBondContact O-N 3.08Å; Y148-L151 PolarHBondContact O-N 3.5Å; Y148-R152 WeakPolarHBondContact O-CB 3.16Å; Y148-R152 PolarHBondContact O-N 3.26Å; Y148-L325 HydrophobicContact CD2-CD2 3.84Å; Y148-L325 HydrophobicContact CE2-CD2 4.01Å; Y148-Y333 HydrophobicContact CD1-CG 4.13Å; Y148-Y333 VanDerWaalsContact CD2-CB 3.45Å; Y148-Y333 HydrophobicContact CD2-CG 4.46Å; Y148-Y333 WeakPolarHBondContact CE2-O 3.38Å; Y148-Y333 VanDerWaalsContact CG-CB 3.48Å; Y148-Y333 HydrophobicContact CG-CD2 4.25Å; Y148-Y333 HydrophobicContact CG-CG 4.04Å; Y148-Y333 VanDerWaalsContact CZ-O 3.23Å; Y148-Y333 PolarHBondContact OH-O 3.02Å
149	Q	98.9	Very high	98.6	Very high	5 Å²	5	22.5 Å²	22.5	2%	0.023	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-37.4	-179.5	-71.4	-176.5	81.2	0	0	113.1	N99 Y145 F146 G153 C178 L180	N99-Q149 WeakPolarHBondContact CB-O 3.44Å; N99-Q149 WeakPolarHBondContact ND2-CB 3.32Å; N99-Q149 PolarHBondContact ND2-OE1 2.89Å; N99-Q149 VanDerWaalsContact ND2-OE1 3.13Å; Y145-Q149 VanDerWaalsContact CD1-NE2 3.31Å; Y145-Q149 HydrophobicContact CD2-CG 4.48Å; Y145-Q149 HydrophobicContact CE2-CG 4.17Å; Y145-Q149 VanDerWaalsContact CZ-NE2 3.33Å; Y145-Q149 WeakPolarHBondContact O-CG 3.44Å; Y145-Q149 PolarHBondContact O-N 2.87Å; Y145-Q149 VanDerWaalsContact O-N 3.07Å; F146-Q149 PolarHBondContact O-N 3.4Å; Q149-G153 PolarHBondContact O-N 2.87Å; Q149-C178 PolarHBondContact NE2-O 3Å; Q149-L180 HydrophobicContact CB-CB 4Å; Q149-L180 HydrophobicContact CB-CD2 4.38Å
150	I	98.9	Very high	98.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.2	-49.7	173.9	-67.6	160.4	0	0	0	110	F146 L147 Y148 G153 L154 L172 L180 V231 I234 M238	F146-I150 WeakPolarHBondContact O-CD1 3.35Å; F146-I150 WeakPolarHBondContact O-CG1 3.11Å; F146-I150 PolarHBondContact O-N 3.06Å; L147-I150 PolarHBondContact O-N 3.32Å; Y148-I150 VanDerWaalsContact C-N 3.33Å; Y148-I150 PolarHBondContact O-N 3.08Å; I150-G153 PolarHBondContact O-N 3.32Å; I150-L154 VanDerWaalsContact O-CB 3.28Å; I150-L154 WeakPolarHBondContact O-CB 3.09Å; I150-L154 PolarHBondContact O-N 3.42Å; I150-L172 HydrophobicContact CD1-CD1 3.54Å; I150-L172 HydrophobicContact CG1-CD1 3.88Å; I150-L172 HydrophobicContact CG1-CD2 4.15Å; I150-L180 HydrophobicContact CD1-CD1 4.1Å; I150-L180 HydrophobicContact CG1-CD1 3.71Å; I150-L180 HydrophobicContact CG1-CD2 3.8Å; I150-L180 HydrophobicContact CG1-CG 4.45Å; I150-V231 HydrophobicContact CG2-CG1 4.15Å; I150-V231 HydrophobicContact CG2-CG2 3.74Å; I150-I234 HydrophobicContact CD1-CG2 4.19Å; I150-M238 HydrophobicContact CD1-CE 4.49Å
151	L	98.9	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69.3	-36.8	-178.3	-69.8	168.2	0	0	0	112.4	L147 Y148 L154 K155 I228 V231 M310 V321 A324 L325 L330	L147-L151 HydrophobicContact CD1-CD1 4.24Å; L147-L151 HydrophobicContact CD1-CG 4.42Å; L147-L151 HydrophobicContact CG-CD1 3.98Å; L147-L151 WeakPolarHBondContact O-CG 3.39Å; L147-L151 PolarHBondContact O-N 3.31Å; Y148-L151 PolarHBondContact O-N 3.5Å; L151-L154 CarbonylContact O-C 3.6Å; L151-L154 PolarHBondContact O-N 3.27Å; L151-K155 WeakPolarHBondContact O-CB 3.5Å; L151-K155 PolarHBondContact O-N 2.82Å; L151-I228 HydrophobicContact CD2-CD1 4.45Å; L151-V231 HydrophobicContact CD2-CG1 4.07Å; L151-V231 HydrophobicContact CG-CG1 4.47Å; L151-M310 HydrophobicContact CD1-CE 3.86Å; L151-M310 HydrophobicContact CD2-CE 3.88Å; L151-M310 HydrophobicContact CG-CE 4.36Å; L151-V321 HydrophobicContact CB-CG2 4.34Å; L151-V321 HydrophobicContact CD2-CG2 4.06Å; L151-V321 VanDerWaalsContact O-CG2 3.27Å; L151-V321 WeakPolarHBondContact O-CG2 3.28Å; L151-A324 HydrophobicContact CD1-CB 3.91Å; L151-A324 HydrophobicContact CD2-CB 4.03Å; L151-L325 HydrophobicContact CB-CD1 4.48Å; L151-L325 HydrophobicContact CB-CD2 3.67Å; L151-L325 HydrophobicContact CB-CG 3.85Å; L151-L330 HydrophobicContact CD1-CD1 3.47Å; L151-L330 VanDerWaalsContact CD1-CD1 3.47Å
152	R	98.9	Very high	98.1	Very high	11 Å²	11	14.9 Å²	14.9	4%	0.042	7%	0.071	C	C	.	.	H	α-helix	trans	-60.8	-48.7	174.4	-174.1	179.2	178.5	-106.9	9.6	111	E98 N99 Y148 L154 K155 Y156 D338 E339	E98-R152 IonicContact OE2-CZ 3.31Å; E98-R152 IonicContact OE2-NH1 4Å; E98-R152 PolarHBondContact OE2-NH1 3.37Å; E98-R152 IonicContact OE2-NH2 3.06Å; E98-R152 PolarHBondContact OE2-NH2 3.31Å; N99-R152 WeakPolarHBondContact OD1-CD 3.34Å; N99-R152 PolarHBondContact OD1-NH1 3.25Å; Y148-R152 WeakPolarHBondContact O-CB 3.16Å; Y148-R152 PolarHBondContact O-N 3.26Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.08Å; R152-K155 PolarHBondContact O-N 3.15Å; R152-Y156 PolarHBondContact O-N 3.38Å; R152-D338 PolarHBondContact NE-O 3.41Å; R152-D338 PolarHBondContact NH2-O 2.79Å; R152-D338 IonicContact NH2-OD1 3.01Å; R152-D338 PolarHBondContact NH2-OD1 2.67Å; R152-D338 VanDerWaalsContact NH2-OD1 3.08Å; R152-D338 IonicContact NH2-OD2 3.55Å; R152-E339 HydrophobicContact CG-CG 4.17Å
153	G	98.9	Very high	97.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61	-40.8	172.5	0	0	0	0	0	112.8	Q149 I150 Y156 I157	Q149-G153 PolarHBondContact O-N 2.87Å; I150-G153 PolarHBondContact O-N 3.32Å; G153-Y156 WeakPolarHBondContact O-CB 3.47Å; G153-Y156 PolarHBondContact O-N 3.15Å; G153-I157 VanDerWaalsContact O-CG1 3.27Å; G153-I157 WeakPolarHBondContact O-CG1 3.27Å; G153-I157 PolarHBondContact O-N 3.43Å; G153-I157 VanDerWaalsContact O-N 3.07Å
154	L	98.8	Very high	97.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-68.1	-35.4	179.8	-169.4	60.3	0	0	0	112.8	I150 L151 R152 Y156 I157 H158 L167 D227 I228 V231 V321	I150-L154 VanDerWaalsContact O-CB 3.28Å; I150-L154 WeakPolarHBondContact O-CB 3.09Å; I150-L154 PolarHBondContact O-N 3.42Å; L151-L154 CarbonylContact O-C 3.6Å; L151-L154 PolarHBondContact O-N 3.27Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.08Å; L154-Y156 VanDerWaalsContact C-N 3.33Å; L154-Y156 PolarHBondContact O-N 3.22Å; L154-I157 HydrophobicContact CD1-CB 4.49Å; L154-I157 HydrophobicContact CD1-CD1 4.47Å; L154-I157 PolarHBondContact O-N 3.41Å; L154-H158 WeakPolarHBondContact CD1-NE2 3.49Å; L154-H158 WeakPolarHBondContact O-CB 3.26Å; L154-H158 PolarHBondContact O-N 3.15Å; L154-L167 HydrophobicContact CD1-CD1 3.98Å; L154-L167 HydrophobicContact CD2-CD1 4.15Å; L154-D227 HydrophobicContact CD1-CB 3.97Å; L154-D227 HydrophobicContact CD2-CB 4Å; L154-I228 HydrophobicContact CD2-CD1 4.03Å; L154-V231 HydrophobicContact CD2-CG2 3.86Å; L154-V321 HydrophobicContact CB-CG2 4.06Å; L154-V321 HydrophobicContact CD2-CG2 4.42Å; L154-V321 HydrophobicContact CG-CG2 4.25Å
155	K	98.8	Very high	97.4	Very high	22 Å²	22	12.7 Å²	12.7	10%	0.096	6%	0.058	C	C	.	.	H	α-helix	trans	-58	-48.1	173.3	-179.8	-169.5	-176.7	-176.9	0	110.2	L151 R152 I157 H158 S159 V321 L325 E339	L151-K155 WeakPolarHBondContact O-CB 3.5Å; L151-K155 PolarHBondContact O-N 2.82Å; R152-K155 PolarHBondContact O-N 3.15Å; K155-I157 PolarHBondContact O-N 3.5Å; K155-H158 PolarHBondContact O-N 3.33Å; K155-S159 VanDerWaalsContact O-CB 3.29Å; K155-S159 WeakPolarHBondContact O-CB 3.12Å; K155-S159 PolarHBondContact O-N 3.49Å; K155-S159 PolarHBondContact O-OG 2.84Å; K155-V321 HydrophobicContact CB-CG1 4.2Å; K155-V321 HydrophobicContact CB-CG2 3.99Å; K155-L325 HydrophobicContact CB-CD1 3.91Å; K155-L325 HydrophobicContact CD-CD1 3.7Å; K155-L325 HydrophobicContact CG-CD1 4.28Å; K155-E339 HydrophobicContact CD-CB 3.99Å; K155-E339 WeakPolarHBondContact CE-O 3.36Å; K155-E339 PolarHBondContact NZ-O 3.12Å; K155-E339 IonicContact NZ-OE2 2.92Å; K155-E339 PolarHBondContact NZ-OE2 2.88Å
156	Y	98.8	Very high	97.1	Very high	19 Å²	19	10.5 Å²	10.5	8%	0.075	5%	0.051	C	C	.	.	H	α-helix	trans	-58.4	-49.5	175.5	-176.2	-91.6	0	0	0	111.6	F95 R96 H97 R152 G153 L154 H158 S159 A160 A342	F95-Y156 HydrophobicContact CB-CE1 3.96Å; F95-Y156 HydrophobicContact CD1-CD1 4.45Å; F95-Y156 AromaticContact CD1-CE1 3.64Å; F95-Y156 HydrophobicContact CD1-CE1 3.64Å; F95-Y156 HydrophobicContact CD2-CE1 4.43Å; F95-Y156 HydrophobicContact CE1-CE1 4.15Å; F95-Y156 HydrophobicContact CG-CD1 4.46Å; F95-Y156 AromaticContact CG-CE1 3.78Å; F95-Y156 HydrophobicContact CG-CE1 3.78Å; R96-Y156 PolarHBondContact N-OH 3.35Å; R96-Y156 PolarHBondContact O-OH 3.46Å; H97-Y156 HydrophobicContact CB-CD1 3.75Å; H97-Y156 HydrophobicContact CB-CD2 4.13Å; H97-Y156 HydrophobicContact CB-CE1 3.99Å; H97-Y156 HydrophobicContact CB-CE2 4.35Å; H97-Y156 HydrophobicContact CB-CG 3.82Å; H97-Y156 AromaticContact CD2-CD2 3.62Å; H97-Y156 AromaticContact CD2-CG 3.6Å; H97-Y156 AromaticContact CG-CG 3.84Å; R152-Y156 PolarHBondContact O-N 3.38Å; G153-Y156 WeakPolarHBondContact O-CB 3.47Å; G153-Y156 PolarHBondContact O-N 3.15Å; L154-Y156 VanDerWaalsContact C-N 3.33Å; L154-Y156 PolarHBondContact O-N 3.22Å; Y156-H158 PolarHBondContact O-N 3.37Å; Y156-S159 PolarHBondContact O-N 2.99Å; Y156-S159 PolarHBondContact O-OG 3.47Å; Y156-A160 PolarHBondContact O-N 3.03Å; Y156-A342 HydrophobicContact CE1-CB 4.46Å; Y156-A342 HydrophobicContact CE2-CB 4.13Å
157	I	98.5	Very high	97	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.8	-47.6	178.4	-64	163.6	0	0	0	111.5	F95 V100 G153 L154 K155 A160 V162 I182 F185	F95-I157 HydrophobicContact CE2-CB 4.37Å; F95-I157 HydrophobicContact CE2-CG1 3.88Å; F95-I157 HydrophobicContact CE2-CG2 4.3Å; F95-I157 HydrophobicContact CZ-CG1 4.49Å; F95-I157 HydrophobicContact CZ-CG2 4.46Å; V100-I157 HydrophobicContact CG2-CD1 4.1Å; V100-I157 HydrophobicContact CG2-CG1 4.1Å; G153-I157 VanDerWaalsContact O-CG1 3.27Å; G153-I157 WeakPolarHBondContact O-CG1 3.27Å; G153-I157 PolarHBondContact O-N 3.43Å; G153-I157 VanDerWaalsContact O-N 3.07Å; L154-I157 HydrophobicContact CD1-CB 4.49Å; L154-I157 HydrophobicContact CD1-CD1 4.47Å; L154-I157 PolarHBondContact O-N 3.41Å; K155-I157 PolarHBondContact O-N 3.5Å; I157-A160 WeakPolarHBondContact O-CB 3.27Å; I157-A160 PolarHBondContact O-N 2.81Å; I157-V162 HydrophobicContact CG2-CB 3.93Å; I157-V162 HydrophobicContact CG2-CG1 3.91Å; I157-V162 WeakPolarHBondContact CG2-O 3.39Å; I157-V162 PolarHBondContact O-N 3.32Å; I157-I182 HydrophobicContact CD1-CD1 3.84Å; I157-I182 HydrophobicContact CD1-CG2 4.27Å; I157-F185 HydrophobicContact CD1-CE1 3.81Å; I157-F185 HydrophobicContact CD1-CZ 3.67Å; I157-F185 HydrophobicContact CG1-CE1 4.03Å; I157-F185 HydrophobicContact CG1-CZ 4.14Å; I157-F185 HydrophobicContact CG2-CE1 4.3Å
158	H	97.6	Very high	96.9	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.009	6%	0.056	C	C	.	.	H	α-helix	trans	-69	-34.8	-178.8	-78.3	-169.3	0	0	0	112.5	L154 K155 Y156 A160 N161 V162 K224 D227 V321	L154-H158 WeakPolarHBondContact CD1-NE2 3.49Å; L154-H158 WeakPolarHBondContact O-CB 3.26Å; L154-H158 PolarHBondContact O-N 3.15Å; K155-H158 PolarHBondContact O-N 3.33Å; Y156-H158 PolarHBondContact O-N 3.37Å; H158-A160 PolarHBondContact O-N 3.26Å; H158-N161 PolarHBondContact O-N 3.49Å; H158-V162 PolarHBondContact CD2-O 3.39Å; H158-K224 HydrophobicContact CB-CD 3.91Å; H158-K224 HydrophobicContact CB-CG 4.29Å; H158-K224 PolarHBondContact CE1-O 3.46Å; H158-K224 VanDerWaalsContact CE1-O 3.22Å; H158-K224 WeakPolarHBondContact O-CE 3.48Å; H158-K224 PolarHBondContact O-NZ 3.33Å; H158-D227 IonicContact CD2-OD2 2.63Å; H158-D227 IonicContact CE1-OD2 2.99Å; H158-D227 IonicContact NE2-OD2 2.98Å; H158-D227 PolarHBondContact NE2-OD2 2.88Å; H158-V321 HydrophobicContact CB-CG1 4.33Å
159	S	97.7	Very high	96.8	Very high	33 Å²	33	10.8 Å²	10.8	23%	0.231	5%	0.053	C	C	.	.	H	α-helix	trans	-64	-29.7	174.7	73	0	0	0	0	112.2	K155 Y156 N161 V341 A342	K155-S159 VanDerWaalsContact O-CB 3.29Å; K155-S159 WeakPolarHBondContact O-CB 3.12Å; K155-S159 PolarHBondContact O-N 3.49Å; K155-S159 PolarHBondContact O-OG 2.84Å; Y156-S159 PolarHBondContact O-N 2.99Å; Y156-S159 PolarHBondContact O-OG 3.47Å; S159-N161 PolarHBondContact O-N 3.07Å; S159-V341 WeakPolarHBondContact OG-CA 3.38Å; S159-V341 WeakPolarHBondContact OG-CB 3.38Å; S159-A342 PolarHBondContact OG-N 3.47Å
160	A	96.6	Very high	96.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	7.4	172.7	0	0	0	0	0	113.9	F95 Y156 I157 H158 V162 A342 P345 F346	F95-A160 HydrophobicContact CE1-CB 3.45Å; F95-A160 VanDerWaalsContact CE1-CB 3.45Å; F95-A160 HydrophobicContact CZ-CB 3.8Å; Y156-A160 PolarHBondContact O-N 3.03Å; I157-A160 WeakPolarHBondContact O-CB 3.27Å; I157-A160 PolarHBondContact O-N 2.81Å; H158-A160 PolarHBondContact O-N 3.26Å; A160-V162 HydrophobicContact CB-CG2 4.3Å; A160-V162 PolarHBondContact O-N 3.32Å; A160-A342 HydrophobicContact CB-CB 3.53Å; A160-P345 WeakPolarHBondContact O-CA 3.49Å; A160-F346 HydrophobicContact CB-CD2 4.06Å; A160-F346 HydrophobicContact CB-CE2 4.38Å; A160-F346 PolarHBondContact O-N 2.94Å
161	N	94.2	Very high	96.6	Very high	49 Å²	49	13.2 Å²	13.2	26%	0.262	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	30.8	-173.8	-158.7	47.1	0	0	0	114	H158 S159 I190 A191 P345	H158-N161 PolarHBondContact O-N 3.49Å; S159-N161 PolarHBondContact O-N 3.07Å; N161-I190 WeakPolarHBondContact ND2-CG2 3.43Å; N161-I190 CarbonylContact O-C 3.53Å; N161-I190 WeakPolarHBondContact O-CA 3.42Å; N161-A191 PolarHBondContact ND2-O 3.35Å; N161-A191 PolarHBondContact O-N 3.28Å; N161-A191 WeakPolarHBondContact OD1-CB 3.26Å; N161-P345 HydrophobicContact CB-CB 3.94Å
162	V	93.9	Very high	96.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.2	177.1	176.5	0	0	0	0	110.2	I91 F95 I157 H158 A160 A188 F346	I91-V162 HydrophobicContact CD1-CG1 4.14Å; F95-V162 HydrophobicContact CZ-CB 4.08Å; F95-V162 HydrophobicContact CZ-CG1 4.43Å; F95-V162 HydrophobicContact CZ-CG2 3.91Å; I157-V162 HydrophobicContact CG2-CB 3.93Å; I157-V162 HydrophobicContact CG2-CG1 3.91Å; I157-V162 WeakPolarHBondContact CG2-O 3.39Å; I157-V162 PolarHBondContact O-N 3.32Å; H158-V162 PolarHBondContact CD2-O 3.39Å; A160-V162 HydrophobicContact CB-CG2 4.3Å; A160-V162 PolarHBondContact O-N 3.32Å; V162-A188 HydrophobicContact CG1-CB 4.06Å; V162-F346 HydrophobicContact CG2-CB 4.1Å; V162-F346 HydrophobicContact CG2-CD2 3.6Å; V162-F346 HydrophobicContact CG2-CE2 4.18Å; V162-F346 HydrophobicContact CG2-CG 3.9Å
163	L	93.3	Very high	96.5	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.2	169.4	-53.1	-179	0	0	0	108.6	R165 A188 R189 A191 K224 I226 D227	L163-R165 HydrophobicContact CB-CG 3.73Å; L163-A188 CarbonylContact O-C 3.58Å; L163-A188 WeakPolarHBondContact O-CA 3.22Å; L163-A188 VanDerWaalsContact O-CB 3.27Å; L163-A188 WeakPolarHBondContact O-CB 3.39Å; L163-R189 PolarHBondContact N-O 3.45Å; L163-R189 PolarHBondContact O-N 3.05Å; L163-A191 HydrophobicContact CD1-CB 4.07Å; L163-A191 HydrophobicContact CD2-CB 3.83Å; L163-A191 HydrophobicContact CG-CB 3.8Å; L163-K224 HydrophobicContact CD2-CB 4.25Å; L163-K224 HydrophobicContact CD2-CG 3.75Å; L163-I226 HydrophobicContact CD1-CD1 4.14Å; L163-D227 WeakPolarHBondContact CA-OD2 3.46Å
164	H	94.8	Very high	96.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.			trans	-76.1	-43	179.2	-173.7	-80.1	0	0	0	112	D166 L167 C183 D184 F185 D227	H164-D166 PolarHBondContact CE1-O 2.98Å; H164-D166 VanDerWaalsContact ND1-C 3.3Å; H164-D166 PolarHBondContact ND1-N 3.41Å; H164-D166 PolarHBondContact O-N 2.63Å; H164-L167 HydrophobicContact CB-CD1 4.46Å; H164-L167 HydrophobicContact CB-CD2 4.18Å; H164-L167 HydrophobicContact CB-CG 3.94Å; H164-L167 PolarHBondContact ND1-N 2.78Å; H164-C183 PolarHBondContact NE2-O 3.11Å; H164-C183 VanDerWaalsContact NE2-O 3.1Å; H164-D184 PolarHBondContact NE2-O 3.25Å; H164-F185 AromaticContact CD2-CE1 3.77Å; H164-F185 AromaticContact CD2-CZ 3.93Å; H164-D227 PolarHBondContact N-OD1 2.88Å; H164-D227 PolarHBondContact N-OD2 2.81Å
165	R	91.7	Very high	96.3	Very high	42 Å²	42	16.1 Å²	16.1	16%	0.158	9%	0.085	C	C	.	.			trans	67.4	-8.8	173.5	-54.2	-179.7	65.5	-147.8	15.9	117.1	L163 L187 Y222 I226 D227	L163-R165 HydrophobicContact CB-CG 3.73Å; R165-L187 WeakPolarHBondContact CD-O 3.43Å; R165-L187 PolarHBondContact NH1-O 3.08Å; R165-Y222 VanDerWaalsContact NH2-CE1 3.26Å; R165-I226 HydrophobicContact CG-CD1 3.93Å; R165-D227 PolarHBondContact N-OD1 3.45Å
166	D	92.3	Very high	96	Very high	18 Å²	18	20.4 Å²	20.4	10%	0.096	11%	0.114	C	C	.	.			trans	-138.2	40.8	176.5	-163.7	26.6	0	0	0	112.5	H164 K168 N171 L187	H164-D166 PolarHBondContact CE1-O 2.98Å; H164-D166 VanDerWaalsContact ND1-C 3.3Å; H164-D166 PolarHBondContact ND1-N 3.41Å; H164-D166 PolarHBondContact O-N 2.63Å; D166-K168 PolarHBondContact O-N 2.64Å; D166-K168 IonicContact OD1-NZ 3.93Å; D166-K168 PolarHBondContact OD1-NZ 3.31Å; D166-K168 IonicContact OD2-NZ 2.91Å; D166-K168 PolarHBondContact OD2-NZ 2.77Å; D166-N171 PolarHBondContact O-ND2 3.48Å; D166-L187 HydrophobicContact CB-CB 4.22Å; D166-L187 HydrophobicContact CB-CD1 3.88Å
167	L	97	Very high	95.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.			trans	-68.5	125.5	173.1	-72.5	176	0	0	0	109.9	L154 H164 I182 Y210 D227 V231 I234	L154-L167 HydrophobicContact CD1-CD1 3.98Å; L154-L167 HydrophobicContact CD2-CD1 4.15Å; H164-L167 HydrophobicContact CB-CD1 4.46Å; H164-L167 HydrophobicContact CB-CD2 4.18Å; H164-L167 HydrophobicContact CB-CG 3.94Å; H164-L167 PolarHBondContact ND1-N 2.78Å; L167-I182 HydrophobicContact CD2-CG2 3.83Å; L167-Y210 WeakPolarHBondContact O-CB 3.48Å; L167-D227 HydrophobicContact CD1-CB 3.88Å; L167-V231 HydrophobicContact CD1-CG2 3.83Å; L167-I234 HydrophobicContact CB-CD1 4.17Å
168	K	96.9	Very high	95.7	Very high	24 Å²	24	25.5 Å²	25.5	10%	0.104	15%	0.148	C	C	.	.			trans	-162.5	161.9	178.3	61.7	-169.1	175	-144.2	0	109.6	D166 S170 N171 Y210	D166-K168 PolarHBondContact O-N 2.64Å; D166-K168 IonicContact OD1-NZ 3.93Å; D166-K168 PolarHBondContact OD1-NZ 3.31Å; D166-K168 IonicContact OD2-NZ 2.91Å; D166-K168 PolarHBondContact OD2-NZ 2.77Å; K168-S170 VanDerWaalsContact CE-OG 3.26Å; K168-S170 WeakPolarHBondContact CE-OG 3.41Å; K168-S170 PolarHBondContact O-N 3.48Å; K168-S170 VanDerWaalsContact O-N 3.08Å; K168-N171 WeakPolarHBondContact CE-ND2 3.49Å; K168-N171 WeakPolarHBondContact CE-OD1 3.35Å; K168-N171 HydrophobicContact CG-CB 4.21Å; K168-N171 PolarHBondContact O-N 2.88Å; K168-Y210 HydrophobicContact CB-CD1 4.38Å; K168-Y210 HydrophobicContact CB-CD2 3.51Å; K168-Y210 HydrophobicContact CB-CE1 4.36Å; K168-Y210 HydrophobicContact CB-CE2 3.49Å; K168-Y210 VanDerWaalsContact CB-CE2 3.49Å; K168-Y210 HydrophobicContact CB-CG 3.99Å
169	P	98	Very high	95.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-56.3	-29.9	-176	-27.6	36.9	0	0	0	115.1	L129 Y130 L133 N171 L172 Y210 I234	L129-P169 HydrophobicContact CB-CB 4.03Å; L129-P169 WeakPolarHBondContact CB-O 3.44Å; L129-P169 HydrophobicContact CD2-CB 4.19Å; L129-P169 HydrophobicContact CG-CB 4.09Å; L129-P169 PolarHBondContact N-O 3.38Å; Y130-P169 PolarHBondContact N-O 3.45Å; Y130-P169 VanDerWaalsContact N-O 3.14Å; L133-P169 HydrophobicContact CD1-CB 4.42Å; L133-P169 HydrophobicContact CD1-CG 4.43Å; P169-N171 PolarHBondContact O-N 3.32Å; P169-L172 PolarHBondContact O-N 3.02Å; P169-Y210 VanDerWaalsContact CD-CE1 3.44Å; P169-Y210 WeakPolarHBondContact CD-OH 3.05Å; P169-Y210 HydrophobicContact CG-CE1 4.14Å; P169-Y210 WeakPolarHBondContact CG-OH 3.22Å; P169-I234 HydrophobicContact CG-CG1 4.29Å
170	S	95.5	Very high	95.8	Very high	45 Å²	45	26.7 Å²	26.7	32%	0.315	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-73.1	-16.5	177.3	65.4	0	0	0	0	113.9	K168	K168-S170 VanDerWaalsContact CE-OG 3.26Å; K168-S170 WeakPolarHBondContact CE-OG 3.41Å; K168-S170 PolarHBondContact O-N 3.48Å; K168-S170 VanDerWaalsContact O-N 3.08Å
171	N	96.9	Very high	95.9	Very high	10 Å²	10	28.3 Å²	28.3	5%	0.053	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-100.8	12.7	179.9	-69.1	8	0	0	0	111.7	D166 K168 P169 C183	D166-N171 PolarHBondContact O-ND2 3.48Å; K168-N171 WeakPolarHBondContact CE-ND2 3.49Å; K168-N171 WeakPolarHBondContact CE-OD1 3.35Å; K168-N171 HydrophobicContact CG-CB 4.21Å; K168-N171 PolarHBondContact O-N 2.88Å; P169-N171 PolarHBondContact O-N 3.32Å; N171-C183 PolarHBondContact O-N 3.48Å; N171-C183 PolarHBondContact O-SG 3.06Å
172	L	98.5	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	96.3	176.4	-58.8	178.5	0	0	0	107.9	D128 L129 I150 P169 L180 I182 I234	D128-L172 CarbonylContact C-O 3.51Å; D128-L172 VanDerWaalsContact CA-O 3.28Å; D128-L172 WeakPolarHBondContact CA-O 3.28Å; L129-L172 HydrophobicContact CB-CB 4.03Å; L129-L172 HydrophobicContact CD2-CD1 3.69Å; L129-L172 PolarHBondContact N-O 2.96Å; I150-L172 HydrophobicContact CD1-CD1 3.54Å; I150-L172 HydrophobicContact CG1-CD1 3.88Å; I150-L172 HydrophobicContact CG1-CD2 4.15Å; P169-L172 PolarHBondContact O-N 3.02Å; L172-L180 HydrophobicContact CB-CD1 4.26Å; L172-L180 HydrophobicContact CB-CG 4.46Å; L172-L180 HydrophobicContact CD2-CD2 4.23Å; L172-I182 HydrophobicContact CD2-CG1 3.81Å; L172-I234 HydrophobicContact CD1-CD1 4.04Å; L172-I234 HydrophobicContact CD1-CG2 3.98Å
173	L	98.3	Very high	96.2	Very high	35 Å²	35	26.8 Å²	26.8	18%	0.183	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	142.7	-178.3	-54.4	179.7	0	0	0	109.9	I101 M125 T127 D128 L180 K181 C183	I101-L173 HydrophobicContact CD1-CD1 4.33Å; M125-L173 HydrophobicContact CB-CB 3.68Å; M125-L173 HydrophobicContact CB-CD1 4.26Å; M125-L173 HydrophobicContact CB-CG 4.47Å; M125-L173 HydrophobicContact CE-CB 4.12Å; M125-L173 HydrophobicContact CG-CB 3.61Å; M125-L173 HydrophobicContact CG-CD1 3.87Å; M125-L173 HydrophobicContact CG-CG 4.38Å; T127-L173 WeakPolarHBondContact O-CA 3.42Å; D128-L173 HydrophobicContact CB-CD2 4.18Å; L173-L180 CarbonylContact O-C 3.57Å; L173-L180 VanDerWaalsContact O-CA 3.25Å; L173-L180 WeakPolarHBondContact O-CA 3.47Å; L173-K181 PolarHBondContact N-O 3.43Å; L173-K181 PolarHBondContact O-N 3.4Å; L173-C183 HydrophobicContact CD1-CB 3.93Å; L173-C183 HydrophobicContact CG-CB 4.18Å
174	I	98.1	Very high	96.1	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.4	-175.3	-58.2	170.9	0	0	0	109.1	E126 T127 L129 L132 F146 D179 L180	E126-I174 PolarHBondContact N-O 3.21Å; T127-I174 HydrophobicContact CG2-CB 4.04Å; T127-I174 PolarHBondContact N-O 2.94Å; T127-I174 PolarHBondContact O-N 2.7Å; L129-I174 HydrophobicContact CB-CD1 3.89Å; L129-I174 HydrophobicContact CD1-CD1 3.84Å; L129-I174 HydrophobicContact CG-CD1 4.48Å; L132-I174 HydrophobicContact CD2-CD1 3.82Å; F146-I174 HydrophobicContact CD1-CD1 4.41Å; F146-I174 HydrophobicContact CE1-CD1 3.97Å; F146-I174 HydrophobicContact CE1-CG1 4.33Å; F146-I174 HydrophobicContact CE1-CG2 3.99Å; F146-I174 HydrophobicContact CE2-CD1 4.42Å; F146-I174 HydrophobicContact CZ-CD1 3.99Å; F146-I174 HydrophobicContact CZ-CG2 4.22Å; I174-D179 WeakPolarHBondContact CA-O 3.03Å; I174-L180 HydrophobicContact CG1-CD1 4.42Å
175	N	94.8	Very high	96.1	Very high	33 Å²	33	28.5 Å²	28.5	18%	0.176	16%	0.161	C	C	.	.			trans	-97	179.5	174.5	74.4	4.1	0	0	0	113	M125 E126 T177 C178 D179	M125-N175 HydrophobicContact CE-CB 3.96Å; M125-N175 HydrophobicContact SD-CB 4.24Å; E126-N175 WeakPolarHBondContact OE2-CA 3.42Å; E126-N175 WeakPolarHBondContact OE2-CB 3.18Å; N175-T177 VanDerWaalsContact CG-OG1 3.32Å; N175-T177 PolarHBondContact ND2-OG1 3.43Å; N175-T177 VanDerWaalsContact ND2-OG1 3.15Å; N175-T177 PolarHBondContact O-N 2.89Å; N175-T177 PolarHBondContact OD1-N 3.33Å; N175-T177 VanDerWaalsContact OD1-N 3.09Å; N175-T177 PolarHBondContact OD1-OG1 2.87Å; N175-C178 PolarHBondContact O-N 3.49Å; N175-C178 VanDerWaalsContact O-N 3.1Å; N175-C178 PolarHBondContact OD1-N 2.96Å; N175-C178 VanDerWaalsContact OD1-N 3.12Å; N175-D179 PolarHBondContact N-O 3.25Å; N175-D179 VanDerWaalsContact N-O 3.08Å; N175-D179 WeakPolarHBondContact ND2-CB 3.41Å; N175-D179 PolarHBondContact ND2-OD2 2.89Å; N175-D179 WeakPolarHBondContact OD1-CB 3.35Å; N175-D179 PolarHBondContact OD1-N 2.97Å; N175-D179 PolarHBondContact OD1-O 3.18Å; N175-D179 PolarHBondContact OD1-OD2 3.49Å
176	T	92.1	Very high	95.9	Very high	113 Å²	113	26.5 Å²	26.5	69%	0.693	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.1	-180	40	0	0	0	0	114.9	E126	E126-T176 HydrophobicContact CG-CG2 3.84Å; E126-T176 WeakPolarHBondContact OE1-CB 3.29Å; E126-T176 WeakPolarHBondContact OE1-CG2 3.32Å; E126-T176 PolarHBondContact OE1-N 2.77Å; E126-T176 VanDerWaalsContact OE1-N 3.15Å; E126-T176 PolarHBondContact OE1-OG1 2.83Å
177	T	94.4	Very high	95.7	Very high	91 Å²	91	26.4 Å²	26.4	56%	0.558	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	8.3	176.1	44.4	0	0	0	0	113.3	N175 D179	N175-T177 VanDerWaalsContact CG-OG1 3.32Å; N175-T177 PolarHBondContact ND2-OG1 3.43Å; N175-T177 VanDerWaalsContact ND2-OG1 3.15Å; N175-T177 PolarHBondContact O-N 2.89Å; N175-T177 PolarHBondContact OD1-N 3.33Å; N175-T177 VanDerWaalsContact OD1-N 3.09Å; N175-T177 PolarHBondContact OD1-OG1 2.87Å; T177-D179 VanDerWaalsContact C-N 3.25Å; T177-D179 PolarHBondContact O-N 3.4Å; T177-D179 PolarHBondContact OG1-OD2 3.12Å
178	C	96.8	Very high	95.3	Very high	34 Å²	34	26.4 Å²	26.4	23%	0.23	15%	0.153	C	C	.	.			trans	65.4	21.7	-176.7	-60.2	0	0	0	0	114.8	Y145 F146 Q149 N175	Y145-C178 HydrophobicContact CD1-CB 4.37Å; Y145-C178 HydrophobicContact CE1-CB 4.23Å; Y145-C178 WeakPolarHBondContact CE1-O 3.1Å; F146-C178 HydrophobicContact CE1-CB 3.83Å; F146-C178 HydrophobicContact CZ-CB 4.12Å; Q149-C178 PolarHBondContact NE2-O 3Å; N175-C178 PolarHBondContact O-N 3.49Å; N175-C178 VanDerWaalsContact O-N 3.1Å; N175-C178 PolarHBondContact OD1-N 2.96Å; N175-C178 VanDerWaalsContact OD1-N 3.12Å
179	D	98.1	Very high	94.9	Very high	61 Å²	61	26.3 Å²	26.3	33%	0.326	15%	0.152	S	C	.	.			trans	-74.1	134	167.2	-49.7	-50.1	0	0	0	109.4	M125 I174 N175 T177	M125-D179 WeakPolarHBondContact CE-O 3.4Å; I174-D179 WeakPolarHBondContact CA-O 3.03Å; N175-D179 PolarHBondContact N-O 3.25Å; N175-D179 VanDerWaalsContact N-O 3.08Å; N175-D179 WeakPolarHBondContact ND2-CB 3.41Å; N175-D179 PolarHBondContact ND2-OD2 2.89Å; N175-D179 WeakPolarHBondContact OD1-CB 3.35Å; N175-D179 PolarHBondContact OD1-N 2.97Å; N175-D179 PolarHBondContact OD1-O 3.18Å; N175-D179 PolarHBondContact OD1-OD2 3.49Å; T177-D179 VanDerWaalsContact C-N 3.25Å; T177-D179 PolarHBondContact O-N 3.4Å; T177-D179 PolarHBondContact OG1-OD2 3.12Å
180	L	98.7	Very high	94.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135	-173.7	-178.5	153.3	0	0	0	110.7	N99 F146 Q149 I150 L172 L173 I174 I182	N99-L180 VanDerWaalsContact CA-O 3.24Å; N99-L180 WeakPolarHBondContact CA-O 3.49Å; N99-L180 WeakPolarHBondContact CB-O 3.37Å; N99-L180 PolarHBondContact ND2-O 3.19Å; F146-L180 HydrophobicContact CB-CD1 4.16Å; F146-L180 HydrophobicContact CD1-CB 4.48Å; F146-L180 HydrophobicContact CD1-CD1 4.03Å; F146-L180 HydrophobicContact CG-CD1 4.39Å; Q149-L180 HydrophobicContact CB-CB 4Å; Q149-L180 HydrophobicContact CB-CD2 4.38Å; I150-L180 HydrophobicContact CD1-CD1 4.1Å; I150-L180 HydrophobicContact CG1-CD1 3.71Å; I150-L180 HydrophobicContact CG1-CD2 3.8Å; I150-L180 HydrophobicContact CG1-CG 4.45Å; L172-L180 HydrophobicContact CB-CD1 4.26Å; L172-L180 HydrophobicContact CB-CG 4.46Å; L172-L180 HydrophobicContact CD2-CD2 4.23Å; L173-L180 CarbonylContact O-C 3.57Å; L173-L180 VanDerWaalsContact O-CA 3.25Å; L173-L180 WeakPolarHBondContact O-CA 3.47Å; I174-L180 HydrophobicContact CG1-CD1 4.42Å; L180-I182 HydrophobicContact CD2-CG1 4.42Å
181	K	98.8	Very high	93.7	Very high	33 Å²	33	25 Å²	25	14%	0.143	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128	173.7	-69.7	179.5	-177.2	-76.4	0	111.8	E98 N99 I101 D123 M125 L173	E98-K181 WeakPolarHBondContact O-CG 3.43Å; E98-K181 PolarHBondContact O-NZ 3.25Å; N99-K181 WeakPolarHBondContact O-CA 3.45Å; I101-K181 HydrophobicContact CB-CB 4.48Å; I101-K181 HydrophobicContact CD1-CD 3.82Å; D123-K181 WeakPolarHBondContact OD2-CE 3.28Å; D123-K181 IonicContact OD2-NZ 2.95Å; D123-K181 PolarHBondContact OD2-NZ 2.8Å; M125-K181 HydrophobicContact CE-CB 4.17Å; M125-K181 HydrophobicContact CE-CD 4.11Å; M125-K181 HydrophobicContact CE-CG 4.06Å; M125-K181 HydrophobicContact SD-CD 3.88Å; M125-K181 HydrophobicContact SD-CG 4.48Å; L173-K181 PolarHBondContact N-O 3.43Å; L173-K181 PolarHBondContact O-N 3.4Å
182	I	98.8	Very high	92.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134.5	170.5	-59.1	169.2	0	0	0	109.2	N99 I101 I157 L167 L172 L180 F185	N99-I182 PolarHBondContact O-N 3.45Å; I101-I182 WeakPolarHBondContact CG2-O 3.37Å; I101-I182 PolarHBondContact N-O 2.85Å; I157-I182 HydrophobicContact CD1-CD1 3.84Å; I157-I182 HydrophobicContact CD1-CG2 4.27Å; L167-I182 HydrophobicContact CD2-CG2 3.83Å; L172-I182 HydrophobicContact CD2-CG1 3.81Å; L180-I182 HydrophobicContact CD2-CG1 4.42Å; I182-F185 HydrophobicContact CG2-CE2 4.3Å; I182-F185 HydrophobicContact CG2-CZ 4.14Å
183	C	96.4	Very high	90.9	Very high	17 Å²	17	31.2 Å²	31.2	12%	0.115	18%	0.182	C	C	.	.			trans	-135.5	172.9	179.2	74.1	0	0	0	0	113.4	I101 H164 N171 L173	I101-C183 HydrophobicContact CB-CB 4.13Å; I101-C183 HydrophobicContact CG2-CB 3.64Å; H164-C183 PolarHBondContact NE2-O 3.11Å; H164-C183 VanDerWaalsContact NE2-O 3.1Å; N171-C183 PolarHBondContact O-N 3.48Å; N171-C183 PolarHBondContact O-SG 3.06Å; L173-C183 HydrophobicContact CD1-CB 3.93Å; L173-C183 HydrophobicContact CG-CB 4.18Å
184	D	92.3	Very high	89.1	Confident	37 Å²	37	37.6 Å²	37.6	20%	0.198	21%	0.211	C	C	.	.			trans	65.8	75.1	179.1	-164.7	10.7	0	0	0	115	Y53 H164 G186	Y53-D184 PolarHBondContact OH-OD1 2.88Å; H164-D184 PolarHBondContact NE2-O 3.25Å; D184-G186 VanDerWaalsContact C-N 3.27Å; D184-G186 PolarHBondContact O-N 3.38Å
185	F	93.3	Very high	87.1	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-87.3	13.6	178.2	-72.8	-100	0	0	0	113.4	E88 I91 L92 F95 V100 I157 H164 I182 L187 A188	E88-F185 HydrophobicContact CG-CB 4.43Å; I91-F185 HydrophobicContact CD1-CB 4.41Å; I91-F185 HydrophobicContact CG2-CB 4.36Å; I91-F185 HydrophobicContact CG2-CD1 3.7Å; I91-F185 HydrophobicContact CG2-CE1 4.21Å; I91-F185 HydrophobicContact CG2-CG 4.1Å; L92-F185 HydrophobicContact CD1-CD2 4.49Å; L92-F185 HydrophobicContact CD2-CD2 3.42Å; L92-F185 VanDerWaalsContact CD2-CD2 3.42Å; L92-F185 HydrophobicContact CD2-CE2 3.57Å; L92-F185 HydrophobicContact CD2-CG 4.13Å; L92-F185 HydrophobicContact CD2-CZ 4.38Å; L92-F185 HydrophobicContact CG-CD2 4.11Å; F95-F185 HydrophobicContact CD2-CE1 4.17Å; F95-F185 HydrophobicContact CD2-CZ 4.32Å; F95-F185 HydrophobicContact CE2-CD1 4.37Å; F95-F185 AromaticContact CE2-CE1 3.76Å; F95-F185 HydrophobicContact CE2-CE1 3.76Å; F95-F185 HydrophobicContact CE2-CZ 4.31Å; V100-F185 HydrophobicContact CG1-CE2 3.75Å; V100-F185 HydrophobicContact CG1-CZ 3.65Å; I157-F185 HydrophobicContact CD1-CE1 3.81Å; I157-F185 HydrophobicContact CD1-CZ 3.67Å; I157-F185 HydrophobicContact CG1-CE1 4.03Å; I157-F185 HydrophobicContact CG1-CZ 4.14Å; I157-F185 HydrophobicContact CG2-CE1 4.3Å; H164-F185 AromaticContact CD2-CE1 3.77Å; H164-F185 AromaticContact CD2-CZ 3.93Å; I182-F185 HydrophobicContact CG2-CE2 4.3Å; I182-F185 HydrophobicContact CG2-CZ 4.14Å; F185-L187 PolarHBondContact O-N 3.4Å; F185-A188 HydrophobicContact CB-CB 4.24Å; F185-A188 HydrophobicContact CD1-CB 4.19Å; F185-A188 VanDerWaalsContact O-CB 3.23Å; F185-A188 WeakPolarHBondContact O-CB 3.47Å; F185-A188 PolarHBondContact O-N 3.14Å; F185-A188 VanDerWaalsContact O-N 3.11Å
186	G	87.8	Confident	85.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-61.3	-32	-176.7	0	0	0	0	0	113.4	R84 R87 D184	R84-G186 WeakPolarHBondContact CG-O 3.46Å; R87-G186 PolarHBondContact NH1-O 2.9Å; D184-G186 VanDerWaalsContact C-N 3.27Å; D184-G186 PolarHBondContact O-N 3.38Å
187	L	87.9	Confident	83.2	Confident	16 Å²	16	38.4 Å²	38.4	8%	0.084	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-94.1	-1.4	178.9	-66.9	-173.7	0	0	0	114.6	R165 D166 F185 Y204	R165-L187 WeakPolarHBondContact CD-O 3.43Å; R165-L187 PolarHBondContact NH1-O 3.08Å; D166-L187 HydrophobicContact CB-CB 4.22Å; D166-L187 HydrophobicContact CB-CD1 3.88Å; F185-L187 PolarHBondContact O-N 3.4Å; L187-Y204 HydrophobicContact CD1-CE1 4.25Å; L187-Y204 HydrophobicContact CD2-CE1 3.82Å
188	A	89.8	Confident	80.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.			trans	-57.2	158.1	179.8	0	0	0	0	0	111.4	R87 I91 V162 L163 F185	R87-A188 WeakPolarHBondContact CD-O 3.3Å; R87-A188 PolarHBondContact NE-O 3.38Å; R87-A188 VanDerWaalsContact NE-O 3.13Å; I91-A188 HydrophobicContact CD1-CB 3.56Å; V162-A188 HydrophobicContact CG1-CB 4.06Å; L163-A188 CarbonylContact O-C 3.58Å; L163-A188 WeakPolarHBondContact O-CA 3.22Å; L163-A188 VanDerWaalsContact O-CB 3.27Å; L163-A188 WeakPolarHBondContact O-CB 3.39Å; F185-A188 HydrophobicContact CB-CB 4.24Å; F185-A188 HydrophobicContact CD1-CB 4.19Å; F185-A188 VanDerWaalsContact O-CB 3.23Å; F185-A188 WeakPolarHBondContact O-CB 3.47Å; F185-A188 PolarHBondContact O-N 3.14Å; F185-A188 VanDerWaalsContact O-N 3.11Å
189	R	87.3	Confident	78	Confident	22 Å²	22	40.5 Å²	40.5	8%	0.083	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.8	170.6	-75.9	-62.3	-174.9	-78.2	12.5	110.2	R87 L163 E351 D353	R87-R189 VanDerWaalsContact NH2-NH2 3.14Å; L163-R189 PolarHBondContact N-O 3.45Å; L163-R189 PolarHBondContact O-N 3.05Å; R189-E351 WeakPolarHBondContact CA-OE1 3.34Å; R189-E351 VanDerWaalsContact CD-CD 3.49Å; R189-E351 WeakPolarHBondContact CD-OE1 3.48Å; R189-E351 WeakPolarHBondContact CD-OE2 3.18Å; R189-E351 IonicContact NE-OE2 3.54Å; R189-D353 IonicContact CZ-OD1 2.72Å; R189-D353 IonicContact NE-OD1 3.7Å; R189-D353 PolarHBondContact NE-OD1 2.76Å; R189-D353 IonicContact NE-OD2 3.43Å; R189-D353 IonicContact NH2-OD1 3.92Å; R189-D353 PolarHBondContact NH2-OD1 3.32Å; R189-D353 IonicContact NH2-OD2 2.79Å
190	I	86.8	Confident	75.1	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.041	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	133.9	166.7	-57.5	178.9	0	0	0	108	N161 D192 F346 T347 M350 E351	N161-I190 WeakPolarHBondContact ND2-CG2 3.43Å; N161-I190 CarbonylContact O-C 3.53Å; N161-I190 WeakPolarHBondContact O-CA 3.42Å; I190-D192 PolarHBondContact O-N 3.06Å; I190-F346 HydrophobicContact CD1-CB 3.74Å; I190-F346 HydrophobicContact CG1-CB 3.87Å; I190-F346 WeakPolarHBondContact CG2-O 3.32Å; I190-T347 VanDerWaalsContact CD1-C 3.44Å; I190-T347 WeakPolarHBondContact CD1-O 3.45Å; I190-M350 HydrophobicContact CD1-CB 4.03Å; I190-E351 HydrophobicContact CB-CG 4.33Å; I190-E351 HydrophobicContact CD1-CG 4.01Å; I190-E351 HydrophobicContact CG1-CG 4.16Å; I190-E351 PolarHBondContact N-OE1 3.23Å
191	A	81.4	Confident	72.4	Confident	10 Å²	10	50.4 Å²	50.4	8%	0.083	27%	0.271	C	S	.	.			trans	-72.2	120.9	177.1	0	0	0	0	0	109.2	N161 L163	N161-A191 PolarHBondContact ND2-O 3.35Å; N161-A191 PolarHBondContact O-N 3.28Å; N161-A191 WeakPolarHBondContact OD1-CB 3.26Å; L163-A191 HydrophobicContact CD1-CB 4.07Å; L163-A191 HydrophobicContact CD2-CB 3.83Å; L163-A191 HydrophobicContact CG-CB 3.8Å
192	D	72.6	Confident	69.6	Low	25 Å²	25	54.5 Å²	54.5	13%	0.134	30%	0.299	C	S	.	.			trans	-129.8	102.6	173.3	-167	-23.6	0	0	0	109.8	I190 E194 H195 F348	I190-D192 PolarHBondContact O-N 3.06Å; D192-E194 VanDerWaalsContact C-N 3.26Å; D192-E194 PolarHBondContact O-N 2.92Å; D192-E194 WeakPolarHBondContact OD1-CA 3.42Å; D192-E194 PolarHBondContact OD1-N 3.27Å; D192-H195 VanDerWaalsContact CG-N 3.34Å; D192-H195 PolarHBondContact OD1-N 3.08Å; D192-H195 IonicContact OD1-ND1 3.15Å; D192-H195 WeakPolarHBondContact OD2-CB 3.49Å; D192-H195 IonicContact OD2-CG 2.93Å; D192-H195 IonicContact OD2-ND1 3.3Å; D192-F348 HydrophobicContact CB-CD2 4.04Å; D192-F348 HydrophobicContact CB-CE2 4.42Å
193	P	64.6	Low	67	Low	116 Å²	116	62.6 Å²	62.6	75%	0.753	34%	0.337	S	S	*	.	S	Bend	trans	-68.5	-21.1	175.7	-19.6	33	0	0	0	114.1
194	E	60.4	Low	64.9	Low	170 Å²	170	64.5 Å²	64.5	79%	0.794	34%	0.342	S	S	*	.	S	Bend	trans	-96.9	-43.1	-174.3	-62.3	-164.5	156.8	0	0	112.5	D192	D192-E194 VanDerWaalsContact C-N 3.26Å; D192-E194 PolarHBondContact O-N 2.92Å; D192-E194 WeakPolarHBondContact OD1-CA 3.42Å; D192-E194 PolarHBondContact OD1-N 3.27Å
195	H	56.8	Low	62.7	Low	118 Å²	118	69.6 Å²	69.6	55%	0.546	37%	0.374	S	S	.	.	S	Bend	trans	-112.4	75.2	177.1	-54.4	83.5	0	0	0	110	D192 H197	D192-H195 VanDerWaalsContact CG-N 3.34Å; D192-H195 PolarHBondContact OD1-N 3.08Å; D192-H195 IonicContact OD1-ND1 3.15Å; D192-H195 WeakPolarHBondContact OD2-CB 3.49Å; D192-H195 IonicContact OD2-CG 2.93Å; D192-H195 IonicContact OD2-ND1 3.3Å; H195-H197 PolarHBondContact O-N 2.82Å
196	D	54.3	Low	60.9	Low	25 Å²	25	71.1 Å²	71.1	13%	0.134	39%	0.387	C	S	.	.			trans	-64.5	138.2	175.4	-155.6	-3	0	0	0	110.6	T198 K220 G221 Y222	D196-T198 VanDerWaalsContact C-N 3.28Å; D196-T198 VanDerWaalsContact O-CG2 3.29Å; D196-T198 WeakPolarHBondContact O-CG2 3.41Å; D196-T198 PolarHBondContact O-N 3.42Å; D196-K220 VanDerWaalsContact OD2-C 3.23Å; D196-K220 WeakPolarHBondContact OD2-CA 3.46Å; D196-G221 PolarHBondContact OD2-N 3.2Å; D196-Y222 VanDerWaalsContact OD1-CD2 3.22Å; D196-Y222 WeakPolarHBondContact OD1-CD2 3.48Å
197	H	49.3	Very low	60.1	Low	23 Å²	23	74.2 Å²	74.2	11%	0.106	41%	0.406	C	S	.	.			trans	-61.3	88.6	-175.2	-64.8	-89.7	0	0	0	110	H195 G199 F348 D353	H195-H197 PolarHBondContact O-N 2.82Å; H197-G199 PolarHBondContact O-N 3.48Å; H197-G199 VanDerWaalsContact O-N 3.12Å; H197-F348 AromaticContact CE1-CE2 3.67Å; H197-D353 IonicContact CE1-OD2 3.98Å; H197-D353 PolarHBondContact CE1-OD2 2.95Å; H197-D353 IonicContact ND1-OD2 3.41Å; H197-D353 PolarHBondContact ND1-OD2 2.54Å
198	T	42	Very low	59.9	Low	119 Å²	119	76.2 Å²	76.2	73%	0.73	41%	0.412	S	S	*	.			trans	-70	-2.4	-176.6	54.7	0	0	0	0	113.8	D196 F200	D196-T198 VanDerWaalsContact C-N 3.28Å; D196-T198 VanDerWaalsContact O-CG2 3.29Å; D196-T198 WeakPolarHBondContact O-CG2 3.41Å; D196-T198 PolarHBondContact O-N 3.42Å; T198-F200 PolarHBondContact O-N 2.98Å; T198-F200 VanDerWaalsContact O-N 3.13Å
199	G	40.8	Very low	60.2	Low	51 Å²	51	80.2 Å²	80.2	53%	0.526	43%	0.428	S	S	.	.	S	Bend	trans	-53.1	123.3	170.8	0	0	0	0	0	108.4	H197 L201	H197-G199 PolarHBondContact O-N 3.48Å; H197-G199 VanDerWaalsContact O-N 3.12Å; G199-L201 VanDerWaalsContact C-N 3.27Å; G199-L201 WeakPolarHBondContact O-CA 3.39Å; G199-L201 WeakPolarHBondContact O-CG 3.36Å; G199-L201 PolarHBondContact O-N 2.77Å
200	F	37	Very low	60.6	Low	210 Å²	210	79.9 Å²	79.9	92%	0.921	43%	0.426	S	S	*	.			trans	-46.8	97.3	170.6	-129.7	-99.8	0	0	0	107.4	T198 T202	T198-F200 PolarHBondContact O-N 2.98Å; T198-F200 VanDerWaalsContact O-N 3.13Å; F200-T202 VanDerWaalsContact C-N 3.29Å; F200-T202 PolarHBondContact O-N 3Å
201	L	42.2	Very low	60.8	Low	59 Å²	59	82 Å²	82	31%	0.309	43%	0.434	S	S	.	.			trans	-70	98.5	-169.3	-81.6	166.4	0	0	0	106.3	G199 E203 Y204 Y222	G199-L201 VanDerWaalsContact C-N 3.27Å; G199-L201 WeakPolarHBondContact O-CA 3.39Å; G199-L201 WeakPolarHBondContact O-CG 3.36Å; G199-L201 PolarHBondContact O-N 2.77Å; L201-E203 PolarHBondContact O-N 3.14Å; L201-Y204 HydrophobicContact CB-CE2 4.07Å; L201-Y204 HydrophobicContact CD2-CE2 3.87Å; L201-Y222 HydrophobicContact CD1-CE1 4.3Å; L201-Y222 HydrophobicContact CD1-CE2 3.41Å; L201-Y222 VanDerWaalsContact CD1-CE2 3.41Å; L201-Y222 WeakPolarHBondContact CD1-OH 3.47Å
202	T	40.5	Very low	61.3	Low	118 Å²	118	81.5 Å²	81.5	72%	0.724	43%	0.43	S	S	*	.			trans	-42.5	129.2	-175.5	-31.3	0	0	0	0	108.2	F200 Y204	F200-T202 VanDerWaalsContact C-N 3.29Å; F200-T202 PolarHBondContact O-N 3Å; T202-Y204 WeakPolarHBondContact O-CA 3.42Å; T202-Y204 WeakPolarHBondContact O-CD2 3.44Å; T202-Y204 PolarHBondContact O-N 3.23Å
203	E	43.1	Very low	62.1	Low	171 Å²	171	80.3 Å²	80.3	80%	0.799	42%	0.424	S	S	*	.			trans	-39.5	95.2	-179.5	-157.3	173	-166.2	0	0	111.3	L201 V205	L201-E203 PolarHBondContact O-N 3.14Å; E203-V205 PolarHBondContact O-N 2.88Å; E203-V205 VanDerWaalsContact O-N 3.14Å
204	Y	52.5	Low	63.1	Low	56 Å²	56	75.3 Å²	75.3	22%	0.22	39%	0.39	C	S	.	.			trans	-71.1	116.6	-165	-91.3	-98.5	0	0	0	110.7	L187 L201 T202 A206 R208 R211	L187-Y204 HydrophobicContact CD1-CE1 4.25Å; L187-Y204 HydrophobicContact CD2-CE1 3.82Å; L201-Y204 HydrophobicContact CB-CE2 4.07Å; L201-Y204 HydrophobicContact CD2-CE2 3.87Å; T202-Y204 WeakPolarHBondContact O-CA 3.42Å; T202-Y204 WeakPolarHBondContact O-CD2 3.44Å; T202-Y204 PolarHBondContact O-N 3.23Å; Y204-A206 PolarHBondContact O-N 2.94Å; Y204-A206 VanDerWaalsContact O-N 3.12Å; Y204-R208 PolarHBondContact O-NH2 3.38Å; Y204-R211 PolarHBondContact O-NH2 3.49Å
205	V	45.8	Very low	64	Low	144 Å²	144	68.7 Å²	68.7	87%	0.873	36%	0.36	S	S	*	.			trans	-70.8	4.3	-179.7	-171.8	0	0	0	0	113.6	E203	E203-V205 PolarHBondContact O-N 2.88Å; E203-V205 VanDerWaalsContact O-N 3.14Å
206	A	57.1	Low	65	Low	32 Å²	32	63.4 Å²	63.4	26%	0.264	34%	0.335	S	S	.	.	S	Bend	trans	-89.6	166.7	-178.3	0	0	0	0	0	114.4	Y204 R208 R211	Y204-A206 PolarHBondContact O-N 2.94Å; Y204-A206 VanDerWaalsContact O-N 3.12Å; A206-R208 PolarHBondContact O-N 3.41Å; A206-R208 PolarHBondContact O-NH1 3.2Å; A206-R211 PolarHBondContact O-NH2 3.13Å
207	T	69.1	Low	65.9	Low	65 Å²	65	62.5 Å²	62.5	40%	0.399	33%	0.331	S	S	.	.			trans	-51.4	123.8	174.1	-51	0	0	0	0	111.1	W209 Y210	T207-W209 HydrophobicContact CG2-CB 4.26Å; T207-W209 HydrophobicContact CG2-CD2 3.79Å; T207-W209 HydrophobicContact CG2-CE3 3.99Å; T207-W209 HydrophobicContact CG2-CG 3.91Å; T207-Y210 HydrophobicContact CG2-CD2 4.35Å; T207-Y210 HydrophobicContact CG2-CE2 3.99Å
208	R	85.5	Confident	66.7	Low	59 Å²	59	62.5 Å²	62.5	22%	0.223	33%	0.332	C	S	.	.			trans	-92.8	-11.8	-172.5	-67.6	175.7	174.5	71.6	-4.3	113.9	Y204 A206 Y210 R211 Q253	Y204-R208 PolarHBondContact O-NH2 3.38Å; A206-R208 PolarHBondContact O-N 3.41Å; A206-R208 PolarHBondContact O-NH1 3.2Å; R208-Y210 PolarHBondContact O-N 2.81Å; R208-Y210 VanDerWaalsContact O-N 3.08Å; R208-R211 WeakPolarHBondContact O-CB 3.39Å; R208-R211 WeakPolarHBondContact O-CG 3.16Å; R208-R211 PolarHBondContact O-N 3.44Å; R208-Q253 PolarHBondContact O-NE2 2.92Å
209	W	95.3	Very high	67.2	Low	84 Å²	84	61 Å²	61	32%	0.318	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.7	-165.6	-54.8	-18.2	0	0	0	114.7	T207 P243 F245 P246 G247 Q253	T207-W209 HydrophobicContact CG2-CB 4.26Å; T207-W209 HydrophobicContact CG2-CD2 3.79Å; T207-W209 HydrophobicContact CG2-CE3 3.99Å; T207-W209 HydrophobicContact CG2-CG 3.91Å; W209-P243 HydrophobicContact CD2-CB 4.18Å; W209-P243 HydrophobicContact CD2-CG 4.48Å; W209-P243 HydrophobicContact CE3-CB 3.57Å; W209-P243 HydrophobicContact CE3-CG 3.81Å; W209-P243 HydrophobicContact CH2-CG 4.32Å; W209-P243 HydrophobicContact CZ3-CB 4.01Å; W209-P243 HydrophobicContact CZ3-CG 3.72Å; W209-F245 WeakPolarHBondContact CA-O 3.5Å; W209-F245 WeakPolarHBondContact CB-O 3.42Å; W209-P246 HydrophobicContact CZ2-CB 4.48Å; W209-G247 PolarHBondContact NE1-O 3.23Å; W209-Q253 PolarHBondContact O-NE2 3.41Å
210	Y	95.3	Very high	67.9	Low	15 Å²	15	64.3 Å²	64.3	6%	0.059	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	6.1	-177.7	-48.1	-84.6	0	0	0	113.2	L167 K168 P169 T207 R208 S230 C233 I234 E237	L167-Y210 WeakPolarHBondContact O-CB 3.48Å; K168-Y210 HydrophobicContact CB-CD1 4.38Å; K168-Y210 HydrophobicContact CB-CD2 3.51Å; K168-Y210 HydrophobicContact CB-CE1 4.36Å; K168-Y210 HydrophobicContact CB-CE2 3.49Å; K168-Y210 VanDerWaalsContact CB-CE2 3.49Å; K168-Y210 HydrophobicContact CB-CG 3.99Å; P169-Y210 VanDerWaalsContact CD-CE1 3.44Å; P169-Y210 WeakPolarHBondContact CD-OH 3.05Å; P169-Y210 HydrophobicContact CG-CE1 4.14Å; P169-Y210 WeakPolarHBondContact CG-OH 3.22Å; T207-Y210 HydrophobicContact CG2-CD2 4.35Å; T207-Y210 HydrophobicContact CG2-CE2 3.99Å; R208-Y210 PolarHBondContact O-N 2.81Å; R208-Y210 VanDerWaalsContact O-N 3.08Å; Y210-S230 PolarHBondContact O-OG 2.7Å; Y210-C233 HydrophobicContact CD1-CB 3.66Å; Y210-C233 HydrophobicContact CE1-CB 4.34Å; Y210-I234 HydrophobicContact CD1-CG1 4.08Å; Y210-I234 HydrophobicContact CE1-CG1 4.11Å; Y210-E237 PolarHBondContact OH-OE2 3.44Å
211	R	90.9	Very high	68.8	Low	51 Å²	51	55.7 Å²	55.7	19%	0.192	30%	0.296	C	S	.	.			trans	-80.9	134.9	-179.1	-64.2	-176.3	-172.2	172	10.3	110.9	Y204 A206 R208 M216 W229	Y204-R211 PolarHBondContact O-NH2 3.49Å; A206-R211 PolarHBondContact O-NH2 3.13Å; R208-R211 WeakPolarHBondContact O-CB 3.39Å; R208-R211 WeakPolarHBondContact O-CG 3.16Å; R208-R211 PolarHBondContact O-N 3.44Å; R211-M216 HydrophobicContact CB-SD 4.4Å; R211-W229 PolarHBondContact O-NE1 3.11Å
212	A	91.4	Very high	70	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	29%	0.287	C	S	.	.			trans	-68.9	150.3	177	0	0	0	0	0	112	E214 I215 M216 W229	A212-E214 HydrophobicContact CB-CG 4.4Å; A212-E214 WeakPolarHBondContact CB-OE1 3.19Å; A212-E214 WeakPolarHBondContact CB-OE2 3.44Å; A212-E214 PolarHBondContact O-N 3.05Å; A212-I215 HydrophobicContact CB-CG1 4.27Å; A212-I215 WeakPolarHBondContact O-CB 3.43Å; A212-I215 PolarHBondContact O-N 2.68Å; A212-M216 VanDerWaalsContact O-SD 3.37Å; A212-W229 VanDerWaalsContact CA-CG 3.49Å; A212-W229 HydrophobicContact CB-CB 3.64Å; A212-W229 HydrophobicContact CB-CD2 4Å; A212-W229 HydrophobicContact CB-CG 3.49Å; A212-W229 VanDerWaalsContact CB-CG 3.49Å
213	P	90	Very high	72.2	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-34.3	-176.7	23.6	-33.2	0	0	0	112.3	I215 M216 L217 W229 L254 I257 F313	P213-I215 VanDerWaalsContact C-N 3.28Å; P213-I215 PolarHBondContact O-N 3.22Å; P213-M216 CarbonylContact O-C 3.4Å; P213-M216 WeakPolarHBondContact O-CA 3.26Å; P213-M216 WeakPolarHBondContact O-CB 3.39Å; P213-M216 PolarHBondContact O-N 3.43Å; P213-L217 HydrophobicContact CB-CD1 4.4Å; P213-L217 WeakPolarHBondContact O-CD1 3.49Å; P213-L217 WeakPolarHBondContact O-CG 3.46Å; P213-L217 PolarHBondContact O-N 2.79Å; P213-W229 HydrophobicContact CG-CE3 4.37Å; P213-W229 HydrophobicContact CG-CH2 4.06Å; P213-W229 HydrophobicContact CG-CZ3 3.97Å; P213-L254 HydrophobicContact CB-CD1 4.36Å; P213-I257 HydrophobicContact CB-CD1 4.21Å; P213-I257 HydrophobicContact CB-CG2 4.49Å; P213-F313 HydrophobicContact CB-CD2 3.96Å; P213-F313 HydrophobicContact CB-CE2 3.7Å; P213-F313 HydrophobicContact CB-CZ 4.41Å; P213-F313 HydrophobicContact CG-CD2 3.88Å; P213-F313 HydrophobicContact CG-CE2 4.1Å; P213-F313 HydrophobicContact CG-CG 4.43Å
214	E	85.2	Confident	74.6	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-66.4	-25.4	177.6	66	-83.7	-166.5	0	0	113.7	A212 M216 L217 N218 P315 R318	A212-E214 HydrophobicContact CB-CG 4.4Å; A212-E214 WeakPolarHBondContact CB-OE1 3.19Å; A212-E214 WeakPolarHBondContact CB-OE2 3.44Å; A212-E214 PolarHBondContact O-N 3.05Å; E214-M216 PolarHBondContact O-N 2.86Å; E214-L217 WeakPolarHBondContact O-CA 3.26Å; E214-L217 PolarHBondContact O-N 3.21Å; E214-L217 VanDerWaalsContact O-N 3.08Å; E214-N218 PolarHBondContact O-N 3.23Å; E214-P315 HydrophobicContact CB-CG 4.36Å; E214-P315 HydrophobicContact CG-CB 4.39Å; E214-P315 HydrophobicContact CG-CG 4.2Å; E214-R318 IonicContact OE1-CZ 2.77Å; E214-R318 IonicContact OE1-NH1 3.99Å; E214-R318 PolarHBondContact OE1-NH1 3.31Å; E214-R318 IonicContact OE1-NH2 3.85Å; E214-R318 PolarHBondContact OE1-NH2 3.38Å; E214-R318 IonicContact OE2-CZ 3.8Å; E214-R318 IonicContact OE2-NH1 3.87Å; E214-R318 IonicContact OE2-NH2 3.87Å; E214-R318 PolarHBondContact OE2-NH2 2.95Å
215	I	80.9	Confident	76.6	Confident	31 Å²	31	44.5 Å²	44.5	16%	0.159	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-28.6	170.1	-58.3	-53.5	0	0	0	110.6	A212 P213 Y222 I226	A212-I215 HydrophobicContact CB-CG1 4.27Å; A212-I215 WeakPolarHBondContact O-CB 3.43Å; A212-I215 PolarHBondContact O-N 2.68Å; P213-I215 VanDerWaalsContact C-N 3.28Å; P213-I215 PolarHBondContact O-N 3.22Å; I215-Y222 HydrophobicContact CD1-CD1 3.69Å; I215-Y222 HydrophobicContact CD1-CE1 3.28Å; I215-I226 HydrophobicContact CD1-CG2 3.88Å; I215-I226 HydrophobicContact CG1-CG2 4.35Å
216	M	77.4	Confident	78.8	Confident	7 Å²	7	38 Å²	38	3%	0.034	20%	0.199	C	C	.	.	H	α-helix	trans	-89.9	-18.1	171.1	-57.8	113.2	65.7	0	0	113.8	R211 A212 P213 E214 Y250 Q253 L254 I257	R211-M216 HydrophobicContact CB-SD 4.4Å; A212-M216 VanDerWaalsContact O-SD 3.37Å; P213-M216 CarbonylContact O-C 3.4Å; P213-M216 WeakPolarHBondContact O-CA 3.26Å; P213-M216 WeakPolarHBondContact O-CB 3.39Å; P213-M216 PolarHBondContact O-N 3.43Å; E214-M216 PolarHBondContact O-N 2.86Å; M216-Y250 WeakPolarHBondContact CA-OH 3.45Å; M216-Y250 HydrophobicContact CB-CD1 4.46Å; M216-Y250 HydrophobicContact CB-CD2 4.3Å; M216-Y250 HydrophobicContact CB-CE1 3.93Å; M216-Y250 HydrophobicContact CB-CE2 3.76Å; M216-Y250 HydrophobicContact CG-CD2 3.83Å; M216-Y250 HydrophobicContact CG-CE1 4.48Å; M216-Y250 HydrophobicContact CG-CE2 3.65Å; M216-Y250 HydrophobicContact CG-CG 4.38Å; M216-Y250 WeakPolarHBondContact O-CE1 3.31Å; M216-Y250 PolarHBondContact O-OH 3.33Å; M216-Q253 HydrophobicContact CE-CB 3.84Å; M216-Q253 HydrophobicContact CE-CG 3.61Å; M216-Q253 HydrophobicContact SD-CB 4.42Å; M216-Q253 HydrophobicContact SD-CG 3.87Å; M216-L254 HydrophobicContact CE-CB 3.49Å; M216-L254 VanDerWaalsContact CE-CB 3.49Å; M216-L254 HydrophobicContact CE-CD1 3.99Å; M216-L254 HydrophobicContact CE-CG 4.33Å; M216-I257 HydrophobicContact CE-CD1 3.67Å; M216-I257 HydrophobicContact SD-CD1 4.44Å
217	L	73.3	Confident	80.7	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-75.7	-60.4	-178.4	47.3	74.8	0	0	0	114.5	P213 E214 L254 I272 A277 L281 F313	P213-L217 HydrophobicContact CB-CD1 4.4Å; P213-L217 WeakPolarHBondContact O-CD1 3.49Å; P213-L217 WeakPolarHBondContact O-CG 3.46Å; P213-L217 PolarHBondContact O-N 2.79Å; E214-L217 WeakPolarHBondContact O-CA 3.26Å; E214-L217 PolarHBondContact O-N 3.21Å; E214-L217 VanDerWaalsContact O-N 3.08Å; L217-L254 HydrophobicContact CD1-CD1 4.42Å; L217-L254 HydrophobicContact CD2-CD1 4.07Å; L217-L254 HydrophobicContact CD2-CD2 3.38Å; L217-L254 HydrophobicContact CD2-CG 4.38Å; L217-L254 HydrophobicContact CG-CD1 4.28Å; L217-L254 HydrophobicContact CG-CD2 4.21Å; L217-I272 HydrophobicContact CD1-CD1 4.01Å; L217-A277 HydrophobicContact CB-CB 3.51Å; L217-A277 HydrophobicContact CD2-CB 4.2Å; L217-A277 WeakPolarHBondContact O-CB 3.27Å; L217-L281 HydrophobicContact CD1-CD1 4.06Å; L217-L281 HydrophobicContact CD2-CD1 3.54Å; L217-L281 HydrophobicContact CD2-CD2 3.83Å; L217-L281 HydrophobicContact CD2-CG 3.63Å; L217-L281 HydrophobicContact CG-CD1 4.43Å; L217-F313 HydrophobicContact CD1-CE2 4.37Å; L217-F313 HydrophobicContact CD1-CZ 3.79Å
218	N	66.3	Low	82.1	Confident	24 Å²	24	33.5 Å²	33.5	13%	0.128	17%	0.168	C	C	.	.			trans	-125	144.9	-161.9	-64	-34.9	0	0	0	107.6	E214 K220 I272 I273	E214-N218 PolarHBondContact O-N 3.23Å; N218-K220 WeakPolarHBondContact CB-O 3.46Å; N218-K220 PolarHBondContact O-N 3.01Å; N218-I272 WeakPolarHBondContact OD1-CG2 3.41Å; N218-I273 PolarHBondContact OD1-N 3.36Å
219	S	52.1	Low	82.7	Confident	87 Å²	87	30.7 Å²	30.7	61%	0.608	16%	0.158	S	C	*	.	S	Bend	trans	-77.1	-2	164.4	88.3	0	0	0	0	111.5
220	K	55.8	Low	82.9	Confident	121 Å²	121	27.1 Å²	27.1	53%	0.526	15%	0.145	S	C	.	.	S	Bend	trans	-134	128.8	-174.5	-56.1	-175.3	179.5	-171.7	0	110.2	D196 N218	D196-K220 VanDerWaalsContact OD2-C 3.23Å; D196-K220 WeakPolarHBondContact OD2-CA 3.46Å; N218-K220 WeakPolarHBondContact CB-O 3.46Å; N218-K220 PolarHBondContact O-N 3.01Å
221	G	54.4	Low	83.1	Confident	29 Å²	29	26.4 Å²	26.4	30%	0.299	14%	0.142	S	C	.	.			trans	144.5	28.2	173.7	0	0	0	0	0	115.4	D196 T223	D196-G221 PolarHBondContact OD2-N 3.2Å; G221-T223 PolarHBondContact O-N 2.91Å
222	Y	68.6	Low	83.4	Confident	27 Å²	27	24 Å²	24	11%	0.106	13%	0.133	C	C	.	.			trans	-72.3	94.4	176.5	-65.7	-85.2	0	0	0	110.2	R165 D196 L201 I215 I226	R165-Y222 VanDerWaalsContact NH2-CE1 3.26Å; D196-Y222 VanDerWaalsContact OD1-CD2 3.22Å; D196-Y222 WeakPolarHBondContact OD1-CD2 3.48Å; L201-Y222 HydrophobicContact CD1-CE1 4.3Å; L201-Y222 HydrophobicContact CD1-CE2 3.41Å; L201-Y222 VanDerWaalsContact CD1-CE2 3.41Å; L201-Y222 WeakPolarHBondContact CD1-OH 3.47Å; I215-Y222 HydrophobicContact CD1-CD1 3.69Å; I215-Y222 HydrophobicContact CD1-CE1 3.28Å; Y222-I226 HydrophobicContact CD1-CD1 3.83Å
223	T	86.8	Confident	83.8	Confident	50 Å²	50	24 Å²	24	31%	0.307	13%	0.133	S	C	.	.			trans	-118.6	170.3	176.3	63.5	0	0	0	0	110	G221 S225 I226	G221-T223 PolarHBondContact O-N 2.91Å; T223-S225 PolarHBondContact O-N 3.16Å; T223-S225 PolarHBondContact OG1-OG 3.22Å; T223-I226 VanDerWaalsContact O-CG1 3.25Å; T223-I226 WeakPolarHBondContact O-CG1 3.46Å; T223-I226 PolarHBondContact O-N 2.98Å; T223-I226 VanDerWaalsContact O-N 3.11Å
224	K	93.4	Very high	84.2	Confident	79 Å²	79	24 Å²	24	34%	0.343	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-28.8	172.9	-70	175.6	177.2	-175.4	0	113.5	H158 L163 I226 D227	H158-K224 HydrophobicContact CB-CD 3.91Å; H158-K224 HydrophobicContact CB-CG 4.29Å; H158-K224 PolarHBondContact CE1-O 3.46Å; H158-K224 VanDerWaalsContact CE1-O 3.22Å; H158-K224 WeakPolarHBondContact O-CE 3.48Å; H158-K224 PolarHBondContact O-NZ 3.33Å; L163-K224 HydrophobicContact CD2-CB 4.25Å; L163-K224 HydrophobicContact CD2-CG 3.75Å; K224-I226 PolarHBondContact O-N 3.49Å; K224-I226 VanDerWaalsContact O-N 3.16Å; K224-D227 PolarHBondContact O-N 2.79Å
225	S	93.8	Very high	84.9	Confident	13 Å²	13	23.5 Å²	23.5	9%	0.091	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-24.9	179.7	72.6	0	0	0	0	114.2	T223 D227 I228 W229 P315 R318	T223-S225 PolarHBondContact O-N 3.16Å; T223-S225 PolarHBondContact OG1-OG 3.22Å; S225-D227 VanDerWaalsContact C-N 3.33Å; S225-D227 PolarHBondContact O-N 2.9Å; S225-I228 PolarHBondContact O-N 3.5Å; S225-W229 PolarHBondContact O-N 3.16Å; S225-P315 VanDerWaalsContact OG-CB 3.3Å; S225-P315 WeakPolarHBondContact OG-CB 3.21Å; S225-R318 VanDerWaalsContact C-NH1 3.29Å; S225-R318 WeakPolarHBondContact O-CD 3.35Å; S225-R318 PolarHBondContact O-NH1 3.26Å; S225-R318 PolarHBondContact OG-NH1 3.26Å
226	I	93.3	Very high	85.7	Confident	8 Å²	8	22 Å²	22	4%	0.041	12%	0.123	C	C	.	.	H	α-helix	trans	-68.5	-35.6	-179.5	72.3	-167.8	0	0	0	111.5	L163 R165 I215 Y222 T223 K224 W229 S230	L163-I226 HydrophobicContact CD1-CD1 4.14Å; R165-I226 HydrophobicContact CG-CD1 3.93Å; I215-I226 HydrophobicContact CD1-CG2 3.88Å; I215-I226 HydrophobicContact CG1-CG2 4.35Å; Y222-I226 HydrophobicContact CD1-CD1 3.83Å; T223-I226 VanDerWaalsContact O-CG1 3.25Å; T223-I226 WeakPolarHBondContact O-CG1 3.46Å; T223-I226 PolarHBondContact O-N 2.98Å; T223-I226 VanDerWaalsContact O-N 3.11Å; K224-I226 PolarHBondContact O-N 3.49Å; K224-I226 VanDerWaalsContact O-N 3.16Å; I226-W229 WeakPolarHBondContact O-CB 3.36Å; I226-W229 PolarHBondContact O-N 3.23Å; I226-S230 PolarHBondContact O-N 3.05Å; I226-S230 PolarHBondContact O-OG 3.3Å
227	D	96.8	Very high	86.7	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-71.1	-38.1	176.6	-70.7	-30.6	0	0	0	110	L154 H158 L163 H164 R165 L167 K224 S225 W229 S230 V231	L154-D227 HydrophobicContact CD1-CB 3.97Å; L154-D227 HydrophobicContact CD2-CB 4Å; H158-D227 IonicContact CD2-OD2 2.63Å; H158-D227 IonicContact CE1-OD2 2.99Å; H158-D227 IonicContact NE2-OD2 2.98Å; H158-D227 PolarHBondContact NE2-OD2 2.88Å; L163-D227 WeakPolarHBondContact CA-OD2 3.46Å; H164-D227 PolarHBondContact N-OD1 2.88Å; H164-D227 PolarHBondContact N-OD2 2.81Å; R165-D227 PolarHBondContact N-OD1 3.45Å; L167-D227 HydrophobicContact CD1-CB 3.88Å; K224-D227 PolarHBondContact O-N 2.79Å; S225-D227 VanDerWaalsContact C-N 3.33Å; S225-D227 PolarHBondContact O-N 2.9Å; D227-W229 VanDerWaalsContact C-N 3.3Å; D227-W229 PolarHBondContact O-N 3.16Å; D227-S230 WeakPolarHBondContact O-CB 3.43Å; D227-S230 PolarHBondContact O-N 2.81Å; D227-S230 VanDerWaalsContact O-N 3.12Å; D227-V231 WeakPolarHBondContact O-CG2 3.29Å; D227-V231 PolarHBondContact O-N 3.33Å
228	I	98.6	Very high	87.9	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-41.1	174.3	-60.8	-63.7	0	0	0	111.4	L151 L154 S225 S230 V231 G232 M310 R318 I319 V321	L151-I228 HydrophobicContact CD2-CD1 4.45Å; L154-I228 HydrophobicContact CD2-CD1 4.03Å; S225-I228 PolarHBondContact O-N 3.5Å; I228-S230 VanDerWaalsContact C-N 3.34Å; I228-S230 PolarHBondContact O-N 3.01Å; I228-V231 PolarHBondContact O-N 3.26Å; I228-G232 PolarHBondContact O-N 2.96Å; I228-M310 HydrophobicContact CG2-CB 4.1Å; I228-M310 HydrophobicContact CG2-CG 3.92Å; I228-R318 HydrophobicContact CB-CG 4.46Å; I228-R318 HydrophobicContact CG2-CG 3.91Å; I228-I319 HydrophobicContact CG2-CG2 3.92Å; I228-I319 WeakPolarHBondContact CG2-O 2.99Å; I228-V321 HydrophobicContact CD1-CB 3.93Å
229	W	98	Very high	89.5	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.4	-47	173.9	177.2	-82	0	0	0	111.5	R211 A212 P213 S225 I226 D227 V231 G232 C233 F245 I257 L261 L311	R211-W229 PolarHBondContact O-NE1 3.11Å; A212-W229 VanDerWaalsContact CA-CG 3.49Å; A212-W229 HydrophobicContact CB-CB 3.64Å; A212-W229 HydrophobicContact CB-CD2 4Å; A212-W229 HydrophobicContact CB-CG 3.49Å; A212-W229 VanDerWaalsContact CB-CG 3.49Å; P213-W229 HydrophobicContact CG-CE3 4.37Å; P213-W229 HydrophobicContact CG-CH2 4.06Å; P213-W229 HydrophobicContact CG-CZ3 3.97Å; S225-W229 PolarHBondContact O-N 3.16Å; I226-W229 WeakPolarHBondContact O-CB 3.36Å; I226-W229 PolarHBondContact O-N 3.23Å; D227-W229 VanDerWaalsContact C-N 3.3Å; D227-W229 PolarHBondContact O-N 3.16Å; W229-V231 VanDerWaalsContact C-N 3.29Å; W229-V231 PolarHBondContact O-N 3.43Å; W229-G232 PolarHBondContact O-N 3.11Å; W229-G232 VanDerWaalsContact O-N 3.12Å; W229-C233 PolarHBondContact NE1-SG 2.89Å; W229-C233 PolarHBondContact O-N 3.22Å; W229-F245 HydrophobicContact CH2-CE2 4.17Å; W229-F245 HydrophobicContact CH2-CZ 4.47Å; W229-F245 HydrophobicContact CZ2-CD2 4.01Å; W229-F245 AromaticContact CZ2-CE2 3.52Å; W229-F245 HydrophobicContact CZ2-CE2 3.52Å; W229-F245 HydrophobicContact CZ2-CZ 4.2Å; W229-I257 HydrophobicContact CH2-CD1 4.26Å; W229-I257 HydrophobicContact CH2-CG1 4.38Å; W229-I257 HydrophobicContact CH2-CG2 3.64Å; W229-I257 HydrophobicContact CZ2-CD1 3.59Å; W229-I257 HydrophobicContact CZ2-CG1 3.83Å; W229-I257 HydrophobicContact CZ2-CG2 3.98Å; W229-L261 HydrophobicContact CH2-CD1 3.71Å; W229-L261 HydrophobicContact CZ3-CD1 4Å; W229-L311 HydrophobicContact CD2-CD2 3.94Å; W229-L311 HydrophobicContact CE3-CD2 4.02Å; W229-L311 HydrophobicContact CG-CD2 4.48Å; W229-L311 HydrophobicContact CH2-CD2 4.29Å; W229-L311 HydrophobicContact CZ2-CD2 4.19Å; W229-L311 HydrophobicContact CZ3-CB 4.35Å; W229-L311 HydrophobicContact CZ3-CD2 4.21Å
230	S	98.1	Very high	91.6	Very high	8 Å²	8	19.5 Å²	19.5	6%	0.056	11%	0.106	C	C	.	.	H	α-helix	trans	-59.5	-40.4	176.8	-58.4	0	0	0	0	111.9	Y210 I226 D227 I228 C233 I234	Y210-S230 PolarHBondContact O-OG 2.7Å; I226-S230 PolarHBondContact O-N 3.05Å; I226-S230 PolarHBondContact O-OG 3.3Å; D227-S230 WeakPolarHBondContact O-CB 3.43Å; D227-S230 PolarHBondContact O-N 2.81Å; D227-S230 VanDerWaalsContact O-N 3.12Å; I228-S230 VanDerWaalsContact C-N 3.34Å; I228-S230 PolarHBondContact O-N 3.01Å; S230-C233 WeakPolarHBondContact O-CB 3.49Å; S230-C233 PolarHBondContact O-N 3.13Å; S230-I234 WeakPolarHBondContact O-CD1 3.4Å; S230-I234 VanDerWaalsContact O-CG1 3.26Å; S230-I234 WeakPolarHBondContact O-CG1 3.36Å; S230-I234 PolarHBondContact O-N 3.37Å
231	V	98.9	Very high	93.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.7	-41.4	173.4	177.1	0	0	0	0	111.6	L147 I150 L151 L154 L167 D227 I228 W229 C233 I234 L235 M310	L147-V231 HydrophobicContact CD1-CG1 3.58Å; I150-V231 HydrophobicContact CG2-CG1 4.15Å; I150-V231 HydrophobicContact CG2-CG2 3.74Å; L151-V231 HydrophobicContact CD2-CG1 4.07Å; L151-V231 HydrophobicContact CG-CG1 4.47Å; L154-V231 HydrophobicContact CD2-CG2 3.86Å; L167-V231 HydrophobicContact CD1-CG2 3.83Å; D227-V231 WeakPolarHBondContact O-CG2 3.29Å; D227-V231 PolarHBondContact O-N 3.33Å; I228-V231 PolarHBondContact O-N 3.26Å; W229-V231 VanDerWaalsContact C-N 3.29Å; W229-V231 PolarHBondContact O-N 3.43Å; V231-C233 VanDerWaalsContact C-N 3.34Å; V231-C233 PolarHBondContact O-N 3Å; V231-I234 WeakPolarHBondContact O-CB 3.27Å; V231-I234 PolarHBondContact O-N 3.27Å; V231-I234 VanDerWaalsContact O-N 3.13Å; V231-L235 PolarHBondContact O-N 3.47Å; V231-M310 HydrophobicContact CG1-CE 4.03Å; V231-M310 HydrophobicContact CG1-SD 3.98Å
232	G	98.9	Very high	95.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.5	-42.1	173.1	0	0	0	0	0	112.7	I228 W229 I234 L235 A236 L307	I228-G232 PolarHBondContact O-N 2.96Å; W229-G232 PolarHBondContact O-N 3.11Å; W229-G232 VanDerWaalsContact O-N 3.12Å; G232-I234 VanDerWaalsContact C-N 3.34Å; G232-I234 PolarHBondContact O-N 3.15Å; G232-L235 PolarHBondContact O-N 3.43Å; G232-A236 PolarHBondContact O-N 3.26Å; G232-L307 WeakPolarHBondContact O-CD1 3.02Å
233	C	98.8	Very high	97	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-41.3	173.1	-71.5	0	0	0	0	112.2	Y210 W229 S230 V231 A236 E237 I244	Y210-C233 HydrophobicContact CD1-CB 3.66Å; Y210-C233 HydrophobicContact CE1-CB 4.34Å; W229-C233 PolarHBondContact NE1-SG 2.89Å; W229-C233 PolarHBondContact O-N 3.22Å; S230-C233 WeakPolarHBondContact O-CB 3.49Å; S230-C233 PolarHBondContact O-N 3.13Å; V231-C233 VanDerWaalsContact C-N 3.34Å; V231-C233 PolarHBondContact O-N 3Å; C233-A236 PolarHBondContact O-N 3.08Å; C233-E237 PolarHBondContact O-N 3.43Å; C233-I244 HydrophobicContact CB-CG2 4.14Å
234	I	98.9	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-42.7	177.2	-67.4	159	0	0	0	110.6	L129 I150 L167 P169 L172 Y210 S230 V231 G232 E237 M238	L129-I234 HydrophobicContact CD2-CG2 3.69Å; I150-I234 HydrophobicContact CD1-CG2 4.19Å; L167-I234 HydrophobicContact CB-CD1 4.17Å; P169-I234 HydrophobicContact CG-CG1 4.29Å; L172-I234 HydrophobicContact CD1-CD1 4.04Å; L172-I234 HydrophobicContact CD1-CG2 3.98Å; Y210-I234 HydrophobicContact CD1-CG1 4.08Å; Y210-I234 HydrophobicContact CE1-CG1 4.11Å; S230-I234 WeakPolarHBondContact O-CD1 3.4Å; S230-I234 VanDerWaalsContact O-CG1 3.26Å; S230-I234 WeakPolarHBondContact O-CG1 3.36Å; S230-I234 PolarHBondContact O-N 3.37Å; V231-I234 WeakPolarHBondContact O-CB 3.27Å; V231-I234 PolarHBondContact O-N 3.27Å; V231-I234 VanDerWaalsContact O-N 3.13Å; G232-I234 VanDerWaalsContact C-N 3.34Å; G232-I234 PolarHBondContact O-N 3.15Å; I234-E237 PolarHBondContact O-N 2.94Å; I234-M238 HydrophobicContact CG2-CE 4.28Å; I234-M238 HydrophobicContact CG2-CG 4.43Å; I234-M238 WeakPolarHBondContact O-CG 3.08Å; I234-M238 PolarHBondContact O-N 3.35Å
235	L	98.9	Very high	97.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.8	-48.8	174.9	176.2	56.1	0	0	0	111.2	I143 L147 V231 G232 E237 M238 L239 L307 M310	I143-L235 HydrophobicContact CG2-CD1 3.65Å; L147-L235 HydrophobicContact CD1-CB 4.38Å; L147-L235 HydrophobicContact CD2-CD1 4.03Å; L147-L235 HydrophobicContact CD2-CD2 3.87Å; L147-L235 HydrophobicContact CD2-CG 4.46Å; V231-L235 PolarHBondContact O-N 3.47Å; G232-L235 PolarHBondContact O-N 3.43Å; L235-E237 VanDerWaalsContact C-N 3.25Å; L235-E237 PolarHBondContact O-N 3.33Å; L235-M238 HydrophobicContact CD1-CE 4.19Å; L235-M238 PolarHBondContact O-N 3.23Å; L235-M238 VanDerWaalsContact O-N 3.16Å; L235-L239 HydrophobicContact CD1-CD1 4.23Å; L235-L239 HydrophobicContact CD1-CG 4.22Å; L235-L239 HydrophobicContact CG-CD1 4.17Å; L235-L239 VanDerWaalsContact O-CG 3.26Å; L235-L239 WeakPolarHBondContact O-CG 3.43Å; L235-L239 PolarHBondContact O-N 2.74Å; L235-L307 HydrophobicContact CB-CD1 4.19Å; L235-L307 HydrophobicContact CD2-CB 3.98Å; L235-L307 HydrophobicContact CD2-CD1 4.11Å; L235-L307 HydrophobicContact CG-CD1 4.15Å; L235-M310 HydrophobicContact CD2-SD 4.41Å
236	A	98.8	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.7	-37.1	175.6	0	0	0	0	0	113	G232 C233 L239 S240 I244 F296 L307	G232-A236 PolarHBondContact O-N 3.26Å; C233-A236 PolarHBondContact O-N 3.08Å; A236-L239 PolarHBondContact O-N 2.93Å; A236-S240 PolarHBondContact O-N 2.83Å; A236-S240 PolarHBondContact O-OG 3.1Å; A236-I244 HydrophobicContact CB-CB 3.77Å; A236-I244 HydrophobicContact CB-CD1 3.73Å; A236-I244 HydrophobicContact CB-CG1 4.29Å; A236-I244 HydrophobicContact CB-CG2 3.83Å; A236-F296 HydrophobicContact CB-CE2 4.45Å; A236-F296 HydrophobicContact CB-CZ 3.87Å; A236-L307 HydrophobicContact CB-CD1 4.04Å; A236-L307 HydrophobicContact CB-CD2 4.28Å
237	E	98.6	Very high	97.9	Very high	9 Å²	9	19.7 Å²	19.7	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-71.3	-37.6	176.6	-165	166.1	151.7	0	0	112	L133 Y210 C233 I234 L235 L239 S240 N241 R242 P243	L133-E237 HydrophobicContact CD1-CB 4.43Å; L133-E237 HydrophobicContact CD1-CG 3.93Å; Y210-E237 PolarHBondContact OH-OE2 3.44Å; C233-E237 PolarHBondContact O-N 3.43Å; I234-E237 PolarHBondContact O-N 2.94Å; L235-E237 VanDerWaalsContact C-N 3.25Å; L235-E237 PolarHBondContact O-N 3.33Å; E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 3.38Å; E237-S240 PolarHBondContact O-N 2.76Å; E237-N241 WeakPolarHBondContact O-CA 3.25Å; E237-N241 PolarHBondContact O-N 2.76Å; E237-R242 WeakPolarHBondContact CA-O 3.23Å; E237-P243 WeakPolarHBondContact OE2-CA 3.27Å
238	M	98.8	Very high	97.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-34.6	172.2	-71.2	-167.4	-65.9	0	0	112.6	L129 L133 L138 I143 F146 L147 I150 I234 L235 S240	L129-M238 HydrophobicContact CD1-CG 4.32Å; L129-M238 HydrophobicContact CD1-SD 4.22Å; L129-M238 HydrophobicContact CD2-CG 4.03Å; L129-M238 HydrophobicContact CD2-SD 3.95Å; L133-M238 HydrophobicContact CD1-CG 4.26Å; L133-M238 HydrophobicContact CD2-CG 4.32Å; L138-M238 HydrophobicContact CD1-CB 4.21Å; L138-M238 HydrophobicContact CD1-CG 4.09Å; L138-M238 HydrophobicContact CD1-SD 4.29Å; I143-M238 HydrophobicContact CD1-CB 4.45Å; I143-M238 WeakPolarHBondContact CD1-O 3.41Å; I143-M238 HydrophobicContact CG1-CB 4.16Å; I143-M238 HydrophobicContact CG2-CB 4.15Å; I143-M238 HydrophobicContact CG2-CE 4.13Å; F146-M238 HydrophobicContact CB-SD 3.95Å; F146-M238 HydrophobicContact CD2-SD 4.39Å; L147-M238 HydrophobicContact CB-CE 4.25Å; I150-M238 HydrophobicContact CD1-CE 4.49Å; I234-M238 HydrophobicContact CG2-CE 4.28Å; I234-M238 HydrophobicContact CG2-CG 4.43Å; I234-M238 WeakPolarHBondContact O-CG 3.08Å; I234-M238 PolarHBondContact O-N 3.35Å; L235-M238 HydrophobicContact CD1-CE 4.19Å; L235-M238 PolarHBondContact O-N 3.23Å; L235-M238 VanDerWaalsContact O-N 3.16Å; M238-S240 VanDerWaalsContact C-N 3.32Å; M238-S240 PolarHBondContact O-N 3.26Å
239	L	98.5	Very high	96.8	Very high	22 Å²	22	33.2 Å²	33.2	12%	0.115	16%	0.16	C	C	.	.	H	α-helix	trans	-73.8	-17.8	179	-65.9	168.6	0	0	0	113.9	I143 L235 A236 E237 F296 L304 L307	I143-L239 HydrophobicContact CD1-CD2 3.85Å; I143-L239 HydrophobicContact CG2-CD2 4.25Å; L235-L239 HydrophobicContact CD1-CD1 4.23Å; L235-L239 HydrophobicContact CD1-CG 4.22Å; L235-L239 HydrophobicContact CG-CD1 4.17Å; L235-L239 VanDerWaalsContact O-CG 3.26Å; L235-L239 WeakPolarHBondContact O-CG 3.43Å; L235-L239 PolarHBondContact O-N 2.74Å; A236-L239 PolarHBondContact O-N 2.93Å; E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 3.38Å; L239-F296 HydrophobicContact CB-CD1 3.97Å; L239-F296 HydrophobicContact CB-CE1 4.3Å; L239-F296 HydrophobicContact CB-CG 4.45Å; L239-L304 HydrophobicContact CD1-CD2 4.1Å; L239-L307 HydrophobicContact CD1-CD2 4.2Å
240	S	97.5	Very high	95.9	Very high	39 Å²	39	38.4 Å²	38.4	27%	0.273	18%	0.181	S	C	.	.	H	α-helix	trans	-138.9	-5	-171	65.3	0	0	0	0	116.3	A236 E237 M238 R242	A236-S240 PolarHBondContact O-N 2.83Å; A236-S240 PolarHBondContact O-OG 3.1Å; E237-S240 PolarHBondContact O-N 2.76Å; M238-S240 VanDerWaalsContact C-N 3.32Å; M238-S240 PolarHBondContact O-N 3.26Å; S240-R242 PolarHBondContact O-N 3.19Å; S240-R242 PolarHBondContact OG-N 2.82Å; S240-R242 PolarHBondContact OG-O 2.9Å
241	N	97.7	Very high	95.1	Very high	30 Å²	30	41.7 Å²	41.7	16%	0.16	20%	0.197	C	C	.	.	S	Bend	trans	56.6	21.8	-171.5	-62.6	77.1	0	0	0	114	L133 Q136 Q137 E237	L133-N241 PolarHBondContact O-ND2 2.94Å; Q136-N241 PolarHBondContact O-ND2 2.67Å; Q137-N241 PolarHBondContact NE2-OD1 2.94Å; Q137-N241 PolarHBondContact OE1-OD1 3.26Å; E237-N241 WeakPolarHBondContact O-CA 3.25Å; E237-N241 PolarHBondContact O-N 2.76Å
242	R	96.9	Very high	94.6	Very high	188 Å²	188	43.3 Å²	43.3	71%	0.709	21%	0.205	S	C	*	.	S	Bend	trans	-137.8	137.6	-178.3	-65.1	-177.9	-175	-173.8	1.5	110.9	E237 S240 I244	E237-R242 WeakPolarHBondContact CA-O 3.23Å; S240-R242 PolarHBondContact O-N 3.19Å; S240-R242 PolarHBondContact OG-N 2.82Å; S240-R242 PolarHBondContact OG-O 2.9Å; R242-I244 PolarHBondContact O-N 3.05Å
243	P	97.7	Very high	94.2	Very high	37 Å²	37	43.3 Å²	43.3	24%	0.24	21%	0.206	C	C	.	.			trans	-61.6	130	175.8	26.3	-35.2	0	0	0	109.8	W209 E237 P246	W209-P243 HydrophobicContact CD2-CB 4.18Å; W209-P243 HydrophobicContact CD2-CG 4.48Å; W209-P243 HydrophobicContact CE3-CB 3.57Å; W209-P243 HydrophobicContact CE3-CG 3.81Å; W209-P243 HydrophobicContact CH2-CG 4.32Å; W209-P243 HydrophobicContact CZ3-CB 4.01Å; W209-P243 HydrophobicContact CZ3-CG 3.72Å; E237-P243 WeakPolarHBondContact OE2-CA 3.27Å; P243-P246 HydrophobicContact CB-CB 4.5Å; P243-P246 HydrophobicContact CG-CB 4.1Å
244	I	98.3	Very high	93.8	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.108	21%	0.206	C	C	.	.	S	Bend	trans	-70.1	-34.2	-177.2	-178.1	170.5	0	0	0	112.8	C233 A236 R242 P246 I260 W292 F296 L311	C233-I244 HydrophobicContact CB-CG2 4.14Å; A236-I244 HydrophobicContact CB-CB 3.77Å; A236-I244 HydrophobicContact CB-CD1 3.73Å; A236-I244 HydrophobicContact CB-CG1 4.29Å; A236-I244 HydrophobicContact CB-CG2 3.83Å; R242-I244 PolarHBondContact O-N 3.05Å; I244-P246 WeakPolarHBondContact O-CD 3.45Å; I244-I260 HydrophobicContact CD1-CD1 4.08Å; I244-I260 HydrophobicContact CG1-CD1 3.63Å; I244-W292 HydrophobicContact CD1-CH2 4.17Å; I244-W292 HydrophobicContact CD1-CZ3 3.68Å; I244-F296 HydrophobicContact CD1-CZ 4.39Å; I244-L311 HydrophobicContact CD1-CD1 3.83Å
245	F	97.8	Very high	93.4	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	22%	0.219	C	C	.	.			trans	-126.9	75.1	-178.4	-52	-56.5	0	0	0	111.8	W209 W229 G247 Q253 H256 I257 I260 L311	W209-F245 WeakPolarHBondContact CA-O 3.5Å; W209-F245 WeakPolarHBondContact CB-O 3.42Å; W229-F245 HydrophobicContact CH2-CE2 4.17Å; W229-F245 HydrophobicContact CH2-CZ 4.47Å; W229-F245 HydrophobicContact CZ2-CD2 4.01Å; W229-F245 AromaticContact CZ2-CE2 3.52Å; W229-F245 HydrophobicContact CZ2-CE2 3.52Å; W229-F245 HydrophobicContact CZ2-CZ 4.2Å; F245-G247 VanDerWaalsContact C-N 3.26Å; F245-G247 PolarHBondContact O-N 3.08Å; F245-Q253 VanDerWaalsContact CB-NE2 3.26Å; F245-Q253 PolarHBondContact O-NE2 3.46Å; F245-Q253 VanDerWaalsContact O-NE2 3.14Å; F245-Q253 PolarHBondContact O-OE1 3.36Å; F245-H256 HydrophobicContact CB-CB 4.22Å; F245-H256 HydrophobicContact CD1-CB 4.28Å; F245-I257 HydrophobicContact CB-CG1 4.32Å; F245-I257 HydrophobicContact CD1-CB 4.44Å; F245-I257 HydrophobicContact CD1-CG1 3.93Å; F245-I257 HydrophobicContact CD2-CG1 3.95Å; F245-I257 HydrophobicContact CE1-CB 4.38Å; F245-I257 HydrophobicContact CE1-CG1 4.19Å; F245-I257 HydrophobicContact CE2-CG1 4.25Å; F245-I257 HydrophobicContact CG-CG1 3.81Å; F245-I257 HydrophobicContact CZ-CG1 4.36Å; F245-I260 HydrophobicContact CD1-CD1 4.17Å; F245-I260 HydrophobicContact CE1-CB 4.04Å; F245-I260 HydrophobicContact CE1-CD1 3.71Å; F245-I260 HydrophobicContact CE1-CG1 4.13Å; F245-L311 HydrophobicContact CE2-CD1 4.14Å; F245-L311 HydrophobicContact CE2-CD2 4.22Å; F245-L311 HydrophobicContact CZ-CD1 4.21Å
246	P	96.1	Very high	93.3	Very high	50 Å²	50	49 Å²	49	33%	0.325	23%	0.233	S	C	.	.			trans	-83.8	55.2	-174.5	35.2	-37	0	0	0	113.5	W209 P243 I244	W209-P246 HydrophobicContact CZ2-CB 4.48Å; P243-P246 HydrophobicContact CB-CB 4.5Å; P243-P246 HydrophobicContact CG-CB 4.1Å; I244-P246 WeakPolarHBondContact O-CD 3.45Å
247	G	92.8	Very high	93.1	Very high	4 Å²	4	49 Å²	49	4%	0.041	23%	0.233	C	C	.	.			trans	-66.9	138.7	-178.2	0	0	0	0	0	113.8	W209 F245 Q253	W209-G247 PolarHBondContact NE1-O 3.23Å; F245-G247 VanDerWaalsContact C-N 3.26Å; F245-G247 PolarHBondContact O-N 3.08Å; G247-Q253 VanDerWaalsContact N-OE1 3.08Å
248	K	88.4	Confident	93	Very high	179 Å²	179	48.7 Å²	48.7	78%	0.778	23%	0.232	S	C	*	.	S	Bend	trans	-83.2	-29.4	-178.8	-62.9	177.9	-175.8	176.6	0	113.4	D252	K248-D252 WeakPolarHBondContact CB-OD2 3.47Å; K248-D252 PolarHBondContact N-OD2 2.9Å
249	H	84.2	Confident	92.9	Very high	107 Å²	107	50.3 Å²	50.3	50%	0.495	25%	0.249	S	C	.	.	S	Bend	trans	-149.3	177.9	177.8	51.8	76.9	0	0	0	110	L251 D252 Q253	H249-L251 PolarHBondContact O-N 2.9Å; H249-D252 PolarHBondContact ND1-N 3.39Å; H249-D252 WeakPolarHBondContact O-CB 3.33Å; H249-D252 PolarHBondContact O-N 2.96Å; H249-D252 VanDerWaalsContact O-N 3.1Å; H249-Q253 PolarHBondContact O-N 3.24Å
250	Y	78.4	Confident	92.8	Very high	109 Å²	109	50.4 Å²	50.4	43%	0.427	25%	0.25	S	C	.	.	H	α-helix	trans	-53.8	-53.4	-170.7	-174.2	-97.6	0	0	0	114.2	M216 D252 Q253 L254	M216-Y250 WeakPolarHBondContact CA-OH 3.45Å; M216-Y250 HydrophobicContact CB-CD1 4.46Å; M216-Y250 HydrophobicContact CB-CD2 4.3Å; M216-Y250 HydrophobicContact CB-CE1 3.93Å; M216-Y250 HydrophobicContact CB-CE2 3.76Å; M216-Y250 HydrophobicContact CG-CD2 3.83Å; M216-Y250 HydrophobicContact CG-CE1 4.48Å; M216-Y250 HydrophobicContact CG-CE2 3.65Å; M216-Y250 HydrophobicContact CG-CG 4.38Å; M216-Y250 WeakPolarHBondContact O-CE1 3.31Å; M216-Y250 PolarHBondContact O-OH 3.33Å; Y250-D252 VanDerWaalsContact C-N 3.32Å; Y250-D252 PolarHBondContact O-N 3.02Å; Y250-Q253 PolarHBondContact O-N 2.84Å; Y250-L254 PolarHBondContact O-N 3.39Å
251	L	82.1	Confident	92.8	Very high	77 Å²	77	49.5 Å²	49.5	40%	0.403	24%	0.242	S	C	.	.	H	α-helix	trans	-68	-32	178.4	-66.8	177.7	0	0	0	112.8	H249 L254 N255 Y280	H249-L251 PolarHBondContact O-N 2.9Å; L251-L254 PolarHBondContact O-N 3.32Å; L251-N255 PolarHBondContact O-N 2.94Å; L251-N255 PolarHBondContact O-ND2 2.78Å; L251-Y280 HydrophobicContact CD2-CE1 4.04Å; L251-Y280 HydrophobicContact CD2-CE2 4.43Å
252	D	88.5	Confident	92.8	Very high	33 Å²	33	48.2 Å²	48.2	18%	0.176	24%	0.236	C	C	.	.	H	α-helix	trans	-68.2	-40.8	178.8	-166.1	42.9	0	0	0	111.2	K248 H249 Y250 L254 N255 H256	K248-D252 WeakPolarHBondContact CB-OD2 3.47Å; K248-D252 PolarHBondContact N-OD2 2.9Å; H249-D252 PolarHBondContact ND1-N 3.39Å; H249-D252 WeakPolarHBondContact O-CB 3.33Å; H249-D252 PolarHBondContact O-N 2.96Å; H249-D252 VanDerWaalsContact O-N 3.1Å; Y250-D252 VanDerWaalsContact C-N 3.32Å; Y250-D252 PolarHBondContact O-N 3.02Å; D252-L254 VanDerWaalsContact C-N 3.27Å; D252-L254 PolarHBondContact O-N 3.45Å; D252-N255 WeakPolarHBondContact O-CB 3.33Å; D252-N255 PolarHBondContact O-N 3.12Å; D252-N255 VanDerWaalsContact O-N 3.12Å; D252-H256 PolarHBondContact O-CD2 3.43Å; D252-H256 VanDerWaalsContact O-CD2 3.25Å; D252-H256 PolarHBondContact O-N 2.99Å; D252-H256 IonicContact OD1-CD2 2.78Å; D252-H256 IonicContact OD1-NE2 3.42Å; D252-H256 IonicContact OD2-CD2 2.81Å; D252-H256 IonicContact OD2-NE2 2.94Å
253	Q	91.3	Very high	92.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-54.2	-45.9	172.7	-173.5	64.5	28	0	0	111.2	R208 W209 M216 F245 G247 H249 Y250 H256 I257	R208-Q253 PolarHBondContact O-NE2 2.92Å; W209-Q253 PolarHBondContact O-NE2 3.41Å; M216-Q253 HydrophobicContact CE-CB 3.84Å; M216-Q253 HydrophobicContact CE-CG 3.61Å; M216-Q253 HydrophobicContact SD-CB 4.42Å; M216-Q253 HydrophobicContact SD-CG 3.87Å; F245-Q253 VanDerWaalsContact CB-NE2 3.26Å; F245-Q253 PolarHBondContact O-NE2 3.46Å; F245-Q253 VanDerWaalsContact O-NE2 3.14Å; F245-Q253 PolarHBondContact O-OE1 3.36Å; G247-Q253 VanDerWaalsContact N-OE1 3.08Å; H249-Q253 PolarHBondContact O-N 3.24Å; Y250-Q253 PolarHBondContact O-N 2.84Å; Q253-H256 PolarHBondContact O-N 3.32Å; Q253-I257 WeakPolarHBondContact O-CG1 3.34Å; Q253-I257 PolarHBondContact O-N 3.41Å; Q253-I257 VanDerWaalsContact O-N 3.13Å
254	L	89.4	Confident	92.5	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-41.6	178.5	-176.8	60.4	0	0	0	111.4	P213 M216 L217 Y250 L251 D252 H256 I257 L258 Y280 L281	P213-L254 HydrophobicContact CB-CD1 4.36Å; M216-L254 HydrophobicContact CE-CB 3.49Å; M216-L254 VanDerWaalsContact CE-CB 3.49Å; M216-L254 HydrophobicContact CE-CD1 3.99Å; M216-L254 HydrophobicContact CE-CG 4.33Å; L217-L254 HydrophobicContact CD1-CD1 4.42Å; L217-L254 HydrophobicContact CD2-CD1 4.07Å; L217-L254 HydrophobicContact CD2-CD2 3.38Å; L217-L254 HydrophobicContact CD2-CG 4.38Å; L217-L254 HydrophobicContact CG-CD1 4.28Å; L217-L254 HydrophobicContact CG-CD2 4.21Å; Y250-L254 PolarHBondContact O-N 3.39Å; L251-L254 PolarHBondContact O-N 3.32Å; D252-L254 VanDerWaalsContact C-N 3.27Å; D252-L254 PolarHBondContact O-N 3.45Å; L254-H256 VanDerWaalsContact C-N 3.32Å; L254-H256 PolarHBondContact O-N 3.32Å; L254-I257 PolarHBondContact O-N 3.25Å; L254-L258 HydrophobicContact CD1-CD1 4.21Å; L254-L258 HydrophobicContact CD1-CG 4.18Å; L254-L258 HydrophobicContact CG-CD1 4.01Å; L254-L258 HydrophobicContact CG-CG 4.37Å; L254-L258 VanDerWaalsContact O-CG 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.37Å; L254-L258 PolarHBondContact O-N 3.11Å; L254-Y280 HydrophobicContact CD2-CD1 4.24Å; L254-Y280 HydrophobicContact CD2-CE1 3.78Å; L254-L281 HydrophobicContact CD2-CD2 4.08Å
255	N	90.8	Very high	92.2	Very high	52 Å²	52	42.4 Å²	42.4	28%	0.278	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-38.2	177.3	-75.4	-32.8	0	0	0	113	L251 D252 G259	L251-N255 PolarHBondContact O-N 2.94Å; L251-N255 PolarHBondContact O-ND2 2.78Å; D252-N255 WeakPolarHBondContact O-CB 3.33Å; D252-N255 PolarHBondContact O-N 3.12Å; D252-N255 VanDerWaalsContact O-N 3.12Å; N255-G259 PolarHBondContact O-N 3.38Å
256	H	95.8	Very high	91.8	Very high	65 Å²	65	47.5 Å²	47.5	30%	0.301	25%	0.25	S	C	.	.	H	α-helix	trans	-62.4	-46.5	173	-86.2	-77.2	0	0	0	111.7	F245 D252 Q253 L254 G259 I260	F245-H256 HydrophobicContact CB-CB 4.22Å; F245-H256 HydrophobicContact CD1-CB 4.28Å; D252-H256 PolarHBondContact O-CD2 3.43Å; D252-H256 VanDerWaalsContact O-CD2 3.25Å; D252-H256 PolarHBondContact O-N 2.99Å; D252-H256 IonicContact OD1-CD2 2.78Å; D252-H256 IonicContact OD1-NE2 3.42Å; D252-H256 IonicContact OD2-CD2 2.81Å; D252-H256 IonicContact OD2-NE2 2.94Å; Q253-H256 PolarHBondContact O-N 3.32Å; L254-H256 VanDerWaalsContact C-N 3.32Å; L254-H256 PolarHBondContact O-N 3.32Å; H256-G259 PolarHBondContact O-N 3.36Å; H256-I260 PolarHBondContact O-N 2.81Å
257	I	96.2	Very high	91.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-54.2	177.6	-66.2	172.9	0	0	0	110.9	P213 M216 W229 F245 Q253 L254 G259 I260 L261	P213-I257 HydrophobicContact CB-CD1 4.21Å; P213-I257 HydrophobicContact CB-CG2 4.49Å; M216-I257 HydrophobicContact CE-CD1 3.67Å; M216-I257 HydrophobicContact SD-CD1 4.44Å; W229-I257 HydrophobicContact CH2-CD1 4.26Å; W229-I257 HydrophobicContact CH2-CG1 4.38Å; W229-I257 HydrophobicContact CH2-CG2 3.64Å; W229-I257 HydrophobicContact CZ2-CD1 3.59Å; W229-I257 HydrophobicContact CZ2-CG1 3.83Å; W229-I257 HydrophobicContact CZ2-CG2 3.98Å; F245-I257 HydrophobicContact CB-CG1 4.32Å; F245-I257 HydrophobicContact CD1-CB 4.44Å; F245-I257 HydrophobicContact CD1-CG1 3.93Å; F245-I257 HydrophobicContact CD2-CG1 3.95Å; F245-I257 HydrophobicContact CE1-CB 4.38Å; F245-I257 HydrophobicContact CE1-CG1 4.19Å; F245-I257 HydrophobicContact CE2-CG1 4.25Å; F245-I257 HydrophobicContact CG-CG1 3.81Å; F245-I257 HydrophobicContact CZ-CG1 4.36Å; Q253-I257 WeakPolarHBondContact O-CG1 3.34Å; Q253-I257 PolarHBondContact O-N 3.41Å; Q253-I257 VanDerWaalsContact O-N 3.13Å; L254-I257 PolarHBondContact O-N 3.25Å; I257-G259 PolarHBondContact O-N 3.25Å; I257-I260 PolarHBondContact O-N 3.47Å; I257-I260 VanDerWaalsContact O-N 3.08Å; I257-L261 HydrophobicContact CG2-CD1 3.8Å; I257-L261 HydrophobicContact CG2-CG 4.22Å; I257-L261 PolarHBondContact O-N 2.96Å
258	L	95.3	Very high	91.4	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-24	179.9	-61.5	177.7	0	0	0	112.7	L254 I260 G262 P264 L281 L284 K287 F313	L254-L258 HydrophobicContact CD1-CD1 4.21Å; L254-L258 HydrophobicContact CD1-CG 4.18Å; L254-L258 HydrophobicContact CG-CD1 4.01Å; L254-L258 HydrophobicContact CG-CG 4.37Å; L254-L258 VanDerWaalsContact O-CG 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.37Å; L254-L258 PolarHBondContact O-N 3.11Å; L258-I260 PolarHBondContact O-N 2.81Å; L258-G262 CarbonylContact O-C 3.47Å; L258-G262 VanDerWaalsContact O-CA 3.25Å; L258-G262 WeakPolarHBondContact O-CA 3.41Å; L258-G262 PolarHBondContact O-N 3.09Å; L258-P264 HydrophobicContact CD2-CG 3.88Å; L258-L281 HydrophobicContact CD1-CD2 3.53Å; L258-L284 HydrophobicContact CD1-CD1 3.63Å; L258-K287 HydrophobicContact CB-CD 4.37Å; L258-K287 WeakPolarHBondContact O-CD 3.23Å; L258-F313 HydrophobicContact CD2-CD2 4.3Å; L258-F313 HydrophobicContact CD2-CE2 3.9Å
259	G	96.6	Very high	91.4	Very high	35 Å²	35	43.6 Å²	43.6	36%	0.361	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-27	173.4	0	0	0	0	0	113.4	N255 H256 I257	N255-G259 PolarHBondContact O-N 3.38Å; H256-G259 PolarHBondContact O-N 3.36Å; I257-G259 PolarHBondContact O-N 3.25Å
260	I	97.8	Very high	91.4	Very high	25 Å²	25	43 Å²	43	13%	0.128	23%	0.23	C	C	.	.	H	α-helix	trans	-102.9	-48.8	178.2	-61.4	-174.2	0	0	0	111	I244 F245 H256 I257 L258 G262 K289 V290 W292 L295	I244-I260 HydrophobicContact CD1-CD1 4.08Å; I244-I260 HydrophobicContact CG1-CD1 3.63Å; F245-I260 HydrophobicContact CD1-CD1 4.17Å; F245-I260 HydrophobicContact CE1-CB 4.04Å; F245-I260 HydrophobicContact CE1-CD1 3.71Å; F245-I260 HydrophobicContact CE1-CG1 4.13Å; H256-I260 PolarHBondContact O-N 2.81Å; I257-I260 PolarHBondContact O-N 3.47Å; I257-I260 VanDerWaalsContact O-N 3.08Å; L258-I260 PolarHBondContact O-N 2.81Å; I260-G262 VanDerWaalsContact C-N 3.28Å; I260-G262 PolarHBondContact O-N 3.34Å; I260-K289 WeakPolarHBondContact O-CA 3.5Å; I260-V290 PolarHBondContact O-N 3.06Å; I260-W292 HydrophobicContact CG2-CE3 4.39Å; I260-W292 HydrophobicContact CG2-CH2 3.71Å; I260-W292 HydrophobicContact CG2-CZ3 3.56Å; I260-L295 HydrophobicContact CD1-CD1 4.04Å; I260-L295 HydrophobicContact CG1-CD1 4.44Å; I260-L295 HydrophobicContact CG2-CD1 3.72Å
261	L	97.6	Very high	91.5	Very high	20 Å²	20	40.2 Å²	40.2	11%	0.105	23%	0.226	C	C	.	.	H	α-helix	trans	-74.5	-18.7	-177.2	-62.9	-170	0	0	0	113.5	W229 I257 K289 W292 L311 F313	W229-L261 HydrophobicContact CH2-CD1 3.71Å; W229-L261 HydrophobicContact CZ3-CD1 4Å; I257-L261 HydrophobicContact CG2-CD1 3.8Å; I257-L261 HydrophobicContact CG2-CG 4.22Å; I257-L261 PolarHBondContact O-N 2.96Å; L261-K289 WeakPolarHBondContact O-CB 3.31Å; L261-W292 HydrophobicContact CD2-CH2 3.83Å; L261-W292 HydrophobicContact CD2-CZ2 3.68Å; L261-L311 VanDerWaalsContact CD1-O 3.28Å; L261-L311 WeakPolarHBondContact CD1-O 3.24Å; L261-L311 WeakPolarHBondContact CD2-O 2.92Å; L261-F313 HydrophobicContact CD1-CB 4.16Å
262	G	96.5	Very high	91.5	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.031	21%	0.209	C	C	.	.			trans	81.9	-175.9	-171.8	0	0	0	0	0	112.7	L258 I260 K287	L258-G262 CarbonylContact O-C 3.47Å; L258-G262 VanDerWaalsContact O-CA 3.25Å; L258-G262 WeakPolarHBondContact O-CA 3.41Å; L258-G262 PolarHBondContact O-N 3.09Å; I260-G262 VanDerWaalsContact C-N 3.28Å; I260-G262 PolarHBondContact O-N 3.34Å; G262-K287 CarbonylContact C-O 3.53Å; G262-K287 WeakPolarHBondContact CA-O 3.47Å
263	S	94.7	Very high	90.8	Very high	51 Å²	51	41.6 Å²	41.6	36%	0.357	23%	0.233	S	C	.	.	S	Bend	trans	-67.6	135.2	175.4	-67.2	0	0	0	0	110.6	S286 K287	S263-S286 WeakPolarHBondContact OG-CA 3.43Å; S263-K287 PolarHBondContact N-O 2.98Å; S263-K287 PolarHBondContact OG-N 2.95Å
264	P	93.5	Very high	90.2	Very high	21 Å²	21	44.6 Å²	44.6	14%	0.136	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-62.5	148.5	178.4	-19.7	33.3	0	0	0	111.1	L258 D268 L269 L281 F313	L258-P264 HydrophobicContact CD2-CG 3.88Å; P264-D268 HydrophobicContact CB-CB 4.26Å; P264-L269 HydrophobicContact CB-CD2 4.01Å; P264-L269 HydrophobicContact CB-CG 4.15Å; P264-L269 HydrophobicContact CG-CD2 4.21Å; P264-L281 HydrophobicContact CG-CD1 4.43Å; P264-F313 HydrophobicContact CB-CD1 3.98Å; P264-F313 HydrophobicContact CB-CE1 3.78Å; P264-F313 HydrophobicContact CB-CG 4.48Å; P264-F313 HydrophobicContact CB-CZ 4.1Å; P264-F313 HydrophobicContact CG-CD1 4.2Å; P264-F313 HydrophobicContact CG-CD2 4.22Å; P264-F313 HydrophobicContact CG-CE1 3.77Å; P264-F313 HydrophobicContact CG-CE2 3.78Å; P264-F313 HydrophobicContact CG-CG 4.42Å; P264-F313 HydrophobicContact CG-CZ 3.54Å
265	S	92.7	Very high	89.8	Confident	51 Å²	51	49.6 Å²	49.6	36%	0.357	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-66.7	161	175	73.7	0	0	0	0	111.1	E267 D268 L269	S265-E267 PolarHBondContact O-N 2.81Å; S265-D268 PolarHBondContact O-N 3.42Å; S265-D268 VanDerWaalsContact O-N 3.11Å; S265-D268 PolarHBondContact OG-N 3.26Å; S265-D268 PolarHBondContact OG-OD2 2.7Å; S265-L269 WeakPolarHBondContact O-CG 3.46Å; S265-L269 PolarHBondContact O-N 3.47Å
266	Q	89.7	Confident	89.2	Confident	108 Å²	108	55.7 Å²	55.7	51%	0.505	30%	0.297	S	S	.	.	H	α-helix	trans	-59.5	-34.8	176.4	-173.2	58.3	56.5	0	0	111.9	N270	Q266-N270 PolarHBondContact NE2-OD1 2.69Å; Q266-N270 PolarHBondContact O-N 2.76Å; Q266-N270 VanDerWaalsContact O-N 3.13Å; Q266-N270 PolarHBondContact O-ND2 3.38Å; Q266-N270 PolarHBondContact O-OD1 2.86Å
267	E	90.3	Very high	88.5	Confident	115 Å²	115	53.1 Å²	53.1	54%	0.537	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-46	175.2	-166.5	-164.8	154.2	0	0	111.4	S265 L269 N270 C271 K317	S265-E267 PolarHBondContact O-N 2.81Å; E267-L269 PolarHBondContact O-N 3.16Å; E267-N270 WeakPolarHBondContact O-CB 3.37Å; E267-N270 PolarHBondContact O-N 3.06Å; E267-N270 VanDerWaalsContact O-N 3.15Å; E267-C271 PolarHBondContact O-N 3.01Å; E267-K317 WeakPolarHBondContact OE1-CE 3.37Å; E267-K317 IonicContact OE1-NZ 3.98Å; E267-K317 PolarHBondContact OE1-NZ 2.88Å; E267-K317 IonicContact OE2-NZ 3.38Å; E267-K317 PolarHBondContact OE2-NZ 3Å
268	D	90.3	Very high	87.9	Confident	24 Å²	24	55.4 Å²	55.4	13%	0.128	30%	0.296	C	S	.	.	H	α-helix	trans	-69.3	-34.3	-179.3	-55.7	-36.6	0	0	0	112	P264 S265 N270 C271 F313 N314 K317	P264-D268 HydrophobicContact CB-CB 4.26Å; S265-D268 PolarHBondContact O-N 3.42Å; S265-D268 VanDerWaalsContact O-N 3.11Å; S265-D268 PolarHBondContact OG-N 3.26Å; S265-D268 PolarHBondContact OG-OD2 2.7Å; D268-N270 VanDerWaalsContact C-N 3.27Å; D268-N270 PolarHBondContact O-N 3.03Å; D268-C271 WeakPolarHBondContact O-CB 3.43Å; D268-C271 PolarHBondContact O-N 2.95Å; D268-F313 HydrophobicContact CB-CD1 4.03Å; D268-F313 HydrophobicContact CB-CE1 4.42Å; D268-N314 HydrophobicContact CB-CB 4.18Å; D268-N314 VanDerWaalsContact OD1-CB 3.26Å; D268-N314 WeakPolarHBondContact OD1-CB 3.35Å; D268-N314 PolarHBondContact OD1-ND2 3.26Å; D268-K317 IonicContact OD1-NZ 2.66Å; D268-K317 PolarHBondContact OD1-NZ 2.83Å
269	L	87.2	Confident	87.5	Confident	13 Å²	13	59.4 Å²	59.4	7%	0.068	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-34.3	172.2	-70.4	176.9	0	0	0	112.2	P264 S265 E267 C271 I272 R278 L281 Q282	P264-L269 HydrophobicContact CB-CD2 4.01Å; P264-L269 HydrophobicContact CB-CG 4.15Å; P264-L269 HydrophobicContact CG-CD2 4.21Å; S265-L269 WeakPolarHBondContact O-CG 3.46Å; S265-L269 PolarHBondContact O-N 3.47Å; E267-L269 PolarHBondContact O-N 3.16Å; L269-C271 PolarHBondContact O-N 2.94Å; L269-I272 HydrophobicContact CD2-CD1 4.08Å; L269-I272 WeakPolarHBondContact O-CB 3.16Å; L269-I272 PolarHBondContact O-N 2.96Å; L269-I272 VanDerWaalsContact O-N 3.16Å; L269-R278 PolarHBondContact O-NE 3.32Å; L269-R278 PolarHBondContact O-NH2 3.38Å; L269-L281 HydrophobicContact CD2-CB 3.8Å; L269-L281 HydrophobicContact CD2-CD1 3.64Å; L269-L281 HydrophobicContact CD2-CG 4.41Å; L269-Q282 HydrophobicContact CD1-CG 3.93Å
270	N	85.1	Confident	86.9	Confident	93 Å²	93	61 Å²	61	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-68.6	-24.3	179.2	-67.5	-15.7	0	0	0	112.2	Q266 E267 D268 I272 R278	Q266-N270 PolarHBondContact NE2-OD1 2.69Å; Q266-N270 PolarHBondContact O-N 2.76Å; Q266-N270 VanDerWaalsContact O-N 3.13Å; Q266-N270 PolarHBondContact O-ND2 3.38Å; Q266-N270 PolarHBondContact O-OD1 2.86Å; E267-N270 WeakPolarHBondContact O-CB 3.37Å; E267-N270 PolarHBondContact O-N 3.06Å; E267-N270 VanDerWaalsContact O-N 3.15Å; D268-N270 VanDerWaalsContact C-N 3.27Å; D268-N270 PolarHBondContact O-N 3.03Å; N270-I272 VanDerWaalsContact C-N 3.28Å; N270-I272 PolarHBondContact O-N 2.89Å; N270-R278 PolarHBondContact O-NH2 3.23Å
271	C	81	Confident	86.4	Confident	52 Å²	52	60.2 Å²	60.2	35%	0.351	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.6	173.6	-61.7	0	0	0	0	113.5	E267 D268 L269 I273 N314	E267-C271 PolarHBondContact O-N 3.01Å; D268-C271 WeakPolarHBondContact O-CB 3.43Å; D268-C271 PolarHBondContact O-N 2.95Å; L269-C271 PolarHBondContact O-N 2.94Å; C271-I273 PolarHBondContact O-N 3.44Å; C271-N314 PolarHBondContact SG-ND2 3.38Å
272	I	80.6	Confident	86	Confident	7 Å²	7	64 Å²	64	4%	0.036	33%	0.326	C	S	.	.			trans	-80.7	108.3	179.2	-58.7	173	0	0	0	109	L217 N218 L269 N270 N274 A277 R278 L281 F313	L217-I272 HydrophobicContact CD1-CD1 4.01Å; N218-I272 WeakPolarHBondContact OD1-CG2 3.41Å; L269-I272 HydrophobicContact CD2-CD1 4.08Å; L269-I272 WeakPolarHBondContact O-CB 3.16Å; L269-I272 PolarHBondContact O-N 2.96Å; L269-I272 VanDerWaalsContact O-N 3.16Å; N270-I272 VanDerWaalsContact C-N 3.28Å; N270-I272 PolarHBondContact O-N 2.89Å; I272-N274 VanDerWaalsContact C-N 3.34Å; I272-A277 HydrophobicContact CG2-CB 4.11Å; I272-R278 HydrophobicContact CG2-CB 4.41Å; I272-R278 VanDerWaalsContact O-CZ 3.29Å; I272-R278 PolarHBondContact O-NE 2.89Å; I272-R278 PolarHBondContact O-NH2 2.74Å; I272-L281 HydrophobicContact CD1-CD1 3.27Å; I272-F313 HydrophobicContact CD1-CE1 4.22Å; I272-F313 HydrophobicContact CD1-CZ 4.28Å
273	I	75.1	Confident	85.7	Confident	132 Å²	132	68 Å²	68	68%	0.677	35%	0.354	S	S	*	.			trans	-71	-32.5	-176.9	-55.6	172.7	0	0	0	111.1	N218 C271 M275	N218-I273 PolarHBondContact OD1-N 3.36Å; C271-I273 PolarHBondContact O-N 3.44Å; I273-M275 PolarHBondContact O-N 3.39Å; I273-M275 VanDerWaalsContact O-N 3.15Å
274	N	77.9	Confident	85.5	Confident	63 Å²	63	67.5 Å²	67.5	34%	0.337	35%	0.347	S	S	.	.			trans	-73.8	106.7	-178.6	-174.9	-26.7	0	0	0	111.7	I272 K276 A277 R278	I272-N274 VanDerWaalsContact C-N 3.34Å; N274-K276 VanDerWaalsContact C-N 3.3Å; N274-K276 PolarHBondContact O-N 2.92Å; N274-K276 WeakPolarHBondContact OD1-CB 3.45Å; N274-K276 PolarHBondContact OD1-N 3.01Å; N274-A277 HydrophobicContact CB-CB 4Å; N274-A277 PolarHBondContact O-N 3.11Å; N274-A277 VanDerWaalsContact O-N 3.16Å; N274-A277 PolarHBondContact OD1-N 3.04Å; N274-R278 PolarHBondContact O-N 3.22Å
275	M	80.8	Confident	85.4	Confident	108 Å²	108	71.3 Å²	71.3	53%	0.532	37%	0.372	S	S	.	.	H	α-helix	trans	-58.6	-35.2	179.6	-70.3	-63.8	-70	0	0	113.8	I273 R278 N279	I273-M275 PolarHBondContact O-N 3.39Å; I273-M275 VanDerWaalsContact O-N 3.15Å; M275-R278 PolarHBondContact O-N 3.08Å; M275-N279 WeakPolarHBondContact O-CB 3.41Å; M275-N279 PolarHBondContact O-N 3.22Å; M275-N279 PolarHBondContact O-ND2 2.96Å; M275-N279 PolarHBondContact O-OD1 2.92Å
276	K	79.6	Confident	85.5	Confident	179 Å²	179	74.1 Å²	74.1	78%	0.778	39%	0.392	S	S	*	.	H	α-helix	trans	-66.2	-43.8	177.8	-66.9	-176.7	179.6	178.6	0	110.9	N274 Y280	N274-K276 VanDerWaalsContact C-N 3.3Å; N274-K276 PolarHBondContact O-N 2.92Å; N274-K276 WeakPolarHBondContact OD1-CB 3.45Å; N274-K276 PolarHBondContact OD1-N 3.01Å; K276-Y280 WeakPolarHBondContact O-CB 3.48Å; K276-Y280 PolarHBondContact O-N 3Å
277	A	80.3	Confident	85.7	Confident	12 Å²	12	72.2 Å²	72.2	10%	0.099	38%	0.382	C	S	.	.	H	α-helix	trans	-65.7	-41.9	177.2	0	0	0	0	0	112.1	L217 I272 N274 Y280 L281	L217-A277 HydrophobicContact CB-CB 3.51Å; L217-A277 HydrophobicContact CD2-CB 4.2Å; L217-A277 WeakPolarHBondContact O-CB 3.27Å; I272-A277 HydrophobicContact CG2-CB 4.11Å; N274-A277 HydrophobicContact CB-CB 4Å; N274-A277 PolarHBondContact O-N 3.11Å; N274-A277 VanDerWaalsContact O-N 3.16Å; N274-A277 PolarHBondContact OD1-N 3.04Å; A277-Y280 PolarHBondContact O-N 3.36Å; A277-L281 WeakPolarHBondContact O-CG 3.45Å; A277-L281 PolarHBondContact O-N 2.84Å
278	R	84.3	Confident	86	Confident	48 Å²	48	72.8 Å²	72.8	18%	0.181	39%	0.393	C	S	.	.	H	α-helix	trans	-59.9	-49.6	175	-172.6	-174.7	-68.6	175.1	-3.2	111.6	L269 N270 I272 N274 M275 Y280 L281 Q282	L269-R278 PolarHBondContact O-NE 3.32Å; L269-R278 PolarHBondContact O-NH2 3.38Å; N270-R278 PolarHBondContact O-NH2 3.23Å; I272-R278 HydrophobicContact CG2-CB 4.41Å; I272-R278 VanDerWaalsContact O-CZ 3.29Å; I272-R278 PolarHBondContact O-NE 2.89Å; I272-R278 PolarHBondContact O-NH2 2.74Å; N274-R278 PolarHBondContact O-N 3.22Å; M275-R278 PolarHBondContact O-N 3.08Å; R278-Y280 VanDerWaalsContact C-N 3.3Å; R278-Y280 PolarHBondContact O-N 2.95Å; R278-L281 PolarHBondContact O-N 2.8Å; R278-Q282 WeakPolarHBondContact O-CG 3.13Å; R278-Q282 PolarHBondContact O-N 2.98Å
279	N	85.8	Confident	86.4	Confident	88 Å²	88	76.1 Å²	76.1	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-62.2	-38.5	178.6	-69.5	-6.2	0	0	0	112	M275 Q282 S283	M275-N279 WeakPolarHBondContact O-CB 3.41Å; M275-N279 PolarHBondContact O-N 3.22Å; M275-N279 PolarHBondContact O-ND2 2.96Å; M275-N279 PolarHBondContact O-OD1 2.92Å; N279-Q282 PolarHBondContact O-N 3.35Å; N279-S283 PolarHBondContact O-N 2.81Å
280	Y	85.1	Confident	86.9	Confident	67 Å²	67	77.4 Å²	77.4	26%	0.263	42%	0.415	S	S	.	.	H	α-helix	trans	-61.6	-46.2	174.4	171.9	-100.2	0	0	0	111.9	L251 L254 K276 A277 R278 Q282 S283 L284	L251-Y280 HydrophobicContact CD2-CE1 4.04Å; L251-Y280 HydrophobicContact CD2-CE2 4.43Å; L254-Y280 HydrophobicContact CD2-CD1 4.24Å; L254-Y280 HydrophobicContact CD2-CE1 3.78Å; K276-Y280 WeakPolarHBondContact O-CB 3.48Å; K276-Y280 PolarHBondContact O-N 3Å; A277-Y280 PolarHBondContact O-N 3.36Å; R278-Y280 VanDerWaalsContact C-N 3.3Å; R278-Y280 PolarHBondContact O-N 2.95Å; Y280-Q282 VanDerWaalsContact C-N 3.31Å; Y280-Q282 PolarHBondContact O-N 3.4Å; Y280-S283 PolarHBondContact O-N 3.01Å; Y280-S283 PolarHBondContact O-OG 3.43Å; Y280-L284 HydrophobicContact CE1-CD1 4.01Å; Y280-L284 HydrophobicContact CE1-CG 4.49Å; Y280-L284 HydrophobicContact CE2-CD2 4.35Å; Y280-L284 PolarHBondContact O-N 3.21Å
281	L	87.1	Confident	87.5	Confident	10 Å²	10	76 Å²	76	5%	0.052	42%	0.416	C	S	.	.	H	α-helix	trans	-62.9	-38.8	177.2	-73.8	175.9	0	0	0	112.6	L217 L254 L258 P264 L269 I272 A277 R278 S283 L284 F313	L217-L281 HydrophobicContact CD1-CD1 4.06Å; L217-L281 HydrophobicContact CD2-CD1 3.54Å; L217-L281 HydrophobicContact CD2-CD2 3.83Å; L217-L281 HydrophobicContact CD2-CG 3.63Å; L217-L281 HydrophobicContact CG-CD1 4.43Å; L254-L281 HydrophobicContact CD2-CD2 4.08Å; L258-L281 HydrophobicContact CD1-CD2 3.53Å; P264-L281 HydrophobicContact CG-CD1 4.43Å; L269-L281 HydrophobicContact CD2-CB 3.8Å; L269-L281 HydrophobicContact CD2-CD1 3.64Å; L269-L281 HydrophobicContact CD2-CG 4.41Å; I272-L281 HydrophobicContact CD1-CD1 3.27Å; A277-L281 WeakPolarHBondContact O-CG 3.45Å; A277-L281 PolarHBondContact O-N 2.84Å; R278-L281 PolarHBondContact O-N 2.8Å; L281-S283 VanDerWaalsContact C-N 3.29Å; L281-S283 PolarHBondContact O-N 2.68Å; L281-L284 HydrophobicContact CD2-CD1 4.26Å; L281-L284 PolarHBondContact O-N 3.47Å; L281-F313 HydrophobicContact CD1-CZ 4.15Å
282	Q	88.9	Confident	88.3	Confident	98 Å²	98	74.4 Å²	74.4	46%	0.458	40%	0.403	S	S	.	.	H	α-helix	trans	-69.3	-25.3	178	-72.4	177.6	-44.4	0	0	113.2	L269 R278 N279 Y280 L284	L269-Q282 HydrophobicContact CD1-CG 3.93Å; R278-Q282 WeakPolarHBondContact O-CG 3.13Å; R278-Q282 PolarHBondContact O-N 2.98Å; N279-Q282 PolarHBondContact O-N 3.35Å; Y280-Q282 VanDerWaalsContact C-N 3.31Å; Y280-Q282 PolarHBondContact O-N 3.4Å; Q282-L284 VanDerWaalsContact C-N 3.34Å
283	S	90	Very high	89.1	Confident	89 Å²	89	77.1 Å²	77.1	62%	0.622	43%	0.426	S	S	*	.	H	α-helix	trans	-81.8	-12.4	177.5	74.6	0	0	0	0	113.6	N279 Y280 L281	N279-S283 PolarHBondContact O-N 2.81Å; Y280-S283 PolarHBondContact O-N 3.01Å; Y280-S283 PolarHBondContact O-OG 3.43Å; L281-S283 VanDerWaalsContact C-N 3.29Å; L281-S283 PolarHBondContact O-N 2.68Å
284	L	89.4	Confident	90.2	Very high	39 Å²	39	78.8 Å²	78.8	20%	0.204	43%	0.429	C	S	.	.	S	Bend	trans	-72.9	146	177.6	-65.3	176.4	0	0	0	111.2	L258 Y280 L281 Q282	L258-L284 HydrophobicContact CD1-CD1 3.63Å; Y280-L284 HydrophobicContact CE1-CD1 4.01Å; Y280-L284 HydrophobicContact CE1-CG 4.49Å; Y280-L284 HydrophobicContact CE2-CD2 4.35Å; Y280-L284 PolarHBondContact O-N 3.21Å; L281-L284 HydrophobicContact CD2-CD1 4.26Å; L281-L284 PolarHBondContact O-N 3.47Å; Q282-L284 VanDerWaalsContact C-N 3.34Å
285	P	92.4	Very high	91.1	Very high	101 Å²	101	79 Å²	79	66%	0.656	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-56.9	143.7	171.4	-23	33.2	0	0	0	111.6	K287	P285-K287 PolarHBondContact O-N 3.4Å
286	S	93.9	Very high	91.9	Very high	111 Å²	111	74.5 Å²	74.5	78%	0.776	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-59.9	131.7	176.8	-174.7	0	0	0	0	111.4	S263	S263-S286 WeakPolarHBondContact OG-CA 3.43Å
287	K	95.1	Very high	92.7	Very high	68 Å²	68	71 Å²	71	30%	0.296	40%	0.402	S	S	.	.			trans	-121.5	135.5	177.8	-64.6	-179.4	-177.2	179.5	0	110.3	L258 G262 S263 P285	L258-K287 HydrophobicContact CB-CD 4.37Å; L258-K287 WeakPolarHBondContact O-CD 3.23Å; G262-K287 CarbonylContact C-O 3.53Å; G262-K287 WeakPolarHBondContact CA-O 3.47Å; S263-K287 PolarHBondContact N-O 2.98Å; S263-K287 PolarHBondContact OG-N 2.95Å; P285-K287 PolarHBondContact O-N 3.4Å
288	T	96.3	Very high	93.3	Very high	126 Å²	126	80.2 Å²	80.2	77%	0.773	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-86.4	139.3	174	-50.1	0	0	0	0	110.3	V290	T288-V290 PolarHBondContact O-N 2.93Å
289	K	97.7	Very high	93.9	Very high	95 Å²	95	79.4 Å²	79.4	41%	0.413	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-56.6	133.1	173.4	-174	-179.6	175	99.8	0	110.7	I260 L261 D308	I260-K289 WeakPolarHBondContact O-CA 3.5Å; L261-K289 WeakPolarHBondContact O-CB 3.31Å; K289-D308 VanDerWaalsContact CE-OD1 3.31Å; K289-D308 WeakPolarHBondContact CE-OD1 3.01Å; K289-D308 IonicContact NZ-OD1 2.74Å; K289-D308 PolarHBondContact NZ-OD1 3.32Å
290	V	97.9	Very high	94.5	Very high	40 Å²	40	78 Å²	78	24%	0.242	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-84	126.6	172	-177.3	0	0	0	0	108.5	I260 T288 W292 K294 L295	I260-V290 PolarHBondContact O-N 3.06Å; T288-V290 PolarHBondContact O-N 2.93Å; V290-W292 PolarHBondContact O-N 3.09Å; V290-K294 HydrophobicContact CG1-CD 4.41Å; V290-L295 HydrophobicContact CG1-CD1 4.23Å; V290-L295 HydrophobicContact CG1-CD2 4.09Å; V290-L295 HydrophobicContact CG1-CG 3.94Å
291	A	97.9	Very high	95.2	Very high	63 Å²	63	79.3 Å²	79.3	52%	0.521	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-63.4	132.9	178.1	0	0	0	0	0	111.4	A293 K294	A291-A293 VanDerWaalsContact C-N 3.29Å; A291-A293 PolarHBondContact O-N 3.06Å; A291-K294 VanDerWaalsContact O-CB 3.28Å; A291-K294 WeakPolarHBondContact O-CB 3.48Å; A291-K294 PolarHBondContact O-N 3.25Å
292	W	98.3	Very high	95.7	Very high	19 Å²	19	82.2 Å²	82.2	7%	0.072	47%	0.465	C	S	.	.	H	α-helix	trans	-57.7	-40.2	180	-61.9	122.9	0	0	0	113.2	I244 I260 L261 V290 K294 L295 F296 L304 L307 D308 L311	I244-W292 HydrophobicContact CD1-CH2 4.17Å; I244-W292 HydrophobicContact CD1-CZ3 3.68Å; I260-W292 HydrophobicContact CG2-CE3 4.39Å; I260-W292 HydrophobicContact CG2-CH2 3.71Å; I260-W292 HydrophobicContact CG2-CZ3 3.56Å; L261-W292 HydrophobicContact CD2-CH2 3.83Å; L261-W292 HydrophobicContact CD2-CZ2 3.68Å; V290-W292 PolarHBondContact O-N 3.09Å; W292-K294 PolarHBondContact O-N 3.44Å; W292-K294 VanDerWaalsContact O-N 3.14Å; W292-L295 HydrophobicContact CE3-CD1 3.94Å; W292-L295 HydrophobicContact CZ3-CD1 4.02Å; W292-L295 PolarHBondContact O-N 3.1Å; W292-F296 HydrophobicContact CE3-CD2 4.38Å; W292-F296 AromaticContact CE3-CE2 3.89Å; W292-F296 HydrophobicContact CE3-CE2 3.89Å; W292-F296 HydrophobicContact CZ3-CE2 4.31Å; W292-F296 PolarHBondContact O-N 2.85Å; W292-L304 HydrophobicContact CB-CB 4.19Å; W292-L304 HydrophobicContact CB-CD1 4.25Å; W292-L304 HydrophobicContact CB-CD2 4.3Å; W292-L304 HydrophobicContact CB-CG 4.48Å; W292-L307 HydrophobicContact CD2-CD2 4.31Å; W292-L307 HydrophobicContact CE3-CD2 4.01Å; W292-L307 HydrophobicContact CZ3-CD2 4.3Å; W292-D308 VanDerWaalsContact NE1-CB 3.33Å; W292-D308 PolarHBondContact NE1-OD1 2.92Å; W292-L311 HydrophobicContact CH2-CB 4.23Å; W292-L311 HydrophobicContact CH2-CD1 3.69Å; W292-L311 HydrophobicContact CZ2-CB 4.17Å; W292-L311 HydrophobicContact CZ2-CD1 4.33Å; W292-L311 HydrophobicContact CZ3-CD1 4.3Å
293	A	97.5	Very high	96.2	Very high	64 Å²	64	77.5 Å²	77.5	53%	0.529	44%	0.443	S	S	.	.	H	α-helix	trans	-61.3	-22	176.4	0	0	0	0	0	113.4	A291 P297 L304	A291-A293 VanDerWaalsContact C-N 3.29Å; A291-A293 PolarHBondContact O-N 3.06Å; A293-P297 WeakPolarHBondContact O-CA 3.38Å; A293-L304 HydrophobicContact CB-CD1 4.28Å
294	K	97.3	Very high	96.6	Very high	167 Å²	167	74.1 Å²	74.1	73%	0.726	42%	0.418	S	S	*	.	H	α-helix	trans	-76.9	-34.5	173	-175	177.9	176.5	180	0	111.8	V290 A291 W292	V290-K294 HydrophobicContact CG1-CD 4.41Å; A291-K294 VanDerWaalsContact O-CB 3.28Å; A291-K294 WeakPolarHBondContact O-CB 3.48Å; A291-K294 PolarHBondContact O-N 3.25Å; W292-K294 PolarHBondContact O-N 3.44Å; W292-K294 VanDerWaalsContact O-N 3.14Å
295	L	97.1	Very high	97.1	Very high	68 Å²	68	75.5 Å²	75.5	36%	0.356	43%	0.426	S	S	.	.	H	α-helix	trans	-78.8	-36.5	177.7	-64.9	176.2	0	0	0	111.6	I260 V290 W292 P297	I260-L295 HydrophobicContact CD1-CD1 4.04Å; I260-L295 HydrophobicContact CG1-CD1 4.44Å; I260-L295 HydrophobicContact CG2-CD1 3.72Å; V290-L295 HydrophobicContact CG1-CD1 4.23Å; V290-L295 HydrophobicContact CG1-CD2 4.09Å; V290-L295 HydrophobicContact CG1-CG 3.94Å; W292-L295 HydrophobicContact CE3-CD1 3.94Å; W292-L295 HydrophobicContact CZ3-CD1 4.02Å; W292-L295 PolarHBondContact O-N 3.1Å; L295-P297 VanDerWaalsContact C-CD 3.48Å; L295-P297 WeakPolarHBondContact O-CD 3.35Å
296	F	97.7	Very high	97.4	Very high	13 Å²	13	70.7 Å²	70.7	6%	0.057	39%	0.394	C	S	.	.			trans	-128.6	65.2	-173.2	-50.5	-65.5	0	0	0	111	A236 L239 I244 W292 K298 S299 L304 L307	A236-F296 HydrophobicContact CB-CE2 4.45Å; A236-F296 HydrophobicContact CB-CZ 3.87Å; L239-F296 HydrophobicContact CB-CD1 3.97Å; L239-F296 HydrophobicContact CB-CE1 4.3Å; L239-F296 HydrophobicContact CB-CG 4.45Å; I244-F296 HydrophobicContact CD1-CZ 4.39Å; W292-F296 HydrophobicContact CE3-CD2 4.38Å; W292-F296 AromaticContact CE3-CE2 3.89Å; W292-F296 HydrophobicContact CE3-CE2 3.89Å; W292-F296 HydrophobicContact CZ3-CE2 4.31Å; W292-F296 PolarHBondContact O-N 2.85Å; F296-K298 PolarHBondContact O-N 3.47Å; F296-K298 VanDerWaalsContact O-N 3.12Å; F296-S299 WeakPolarHBondContact CB-OG 3.28Å; F296-S299 PolarHBondContact O-N 3.12Å; F296-L304 HydrophobicContact CB-CD2 3.81Å; F296-L304 HydrophobicContact CD2-CD2 3.86Å; F296-L304 HydrophobicContact CG-CD2 4.2Å; F296-L307 HydrophobicContact CD2-CD2 4.06Å; F296-L307 HydrophobicContact CE2-CD2 3.63Å; F296-L307 HydrophobicContact CZ-CD2 4.48Å
297	P	96.6	Very high	97.6	Very high	104 Å²	104	65.4 Å²	65.4	68%	0.675	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-13.6	-169.1	26.8	-36.2	0	0	0	115.2	A293 L295	A293-P297 WeakPolarHBondContact O-CA 3.38Å; L295-P297 VanDerWaalsContact C-CD 3.48Å; L295-P297 WeakPolarHBondContact O-CD 3.35Å
298	K	94.1	Very high	97.8	Very high	207 Å²	207	64.5 Å²	64.5	90%	0.9	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	2.1	-178.7	-61.7	-177.1	-180	-179.1	0	113.1	F296	F296-K298 PolarHBondContact O-N 3.47Å; F296-K298 VanDerWaalsContact O-N 3.12Å
299	S	97.1	Very high	97.9	Very high	30 Å²	30	64.2 Å²	64.2	21%	0.21	34%	0.341	C	S	.	.	S	Bend	trans	-89.2	151.8	-173.3	-62.9	0	0	0	0	111.7	F296	F296-S299 WeakPolarHBondContact CB-OG 3.28Å; F296-S299 PolarHBondContact O-N 3.12Å
300	D	98	Very high	98	Very high	58 Å²	58	59.7 Å²	59.7	31%	0.31	32%	0.321	S	S	.	.			trans	-59.4	134.2	176.6	-172.6	-63.6	0	0	0	111	K302 A303 L304 Y329	D300-K302 VanDerWaalsContact C-N 3.28Å; D300-K302 PolarHBondContact O-N 3.46Å; D300-K302 WeakPolarHBondContact OD1-CA 3.21Å; D300-K302 WeakPolarHBondContact OD1-CB 2.86Å; D300-K302 PolarHBondContact OD1-N 3.38Å; D300-A303 HydrophobicContact CB-CB 4.14Å; D300-A303 VanDerWaalsContact O-CB 3.32Å; D300-A303 WeakPolarHBondContact O-CB 3.08Å; D300-A303 PolarHBondContact O-N 3.07Å; D300-A303 VanDerWaalsContact O-N 3.08Å; D300-L304 WeakPolarHBondContact O-CG 3.49Å; D300-L304 PolarHBondContact O-N 3.28Å; D300-L304 VanDerWaalsContact O-N 3.13Å; D300-Y329 HydrophobicContact CB-CE2 4.21Å
301	S	98.4	Very high	98	Very high	95 Å²	95	57.8 Å²	57.8	66%	0.664	31%	0.309	S	S	*	.	H	α-helix	trans	-61.5	-34.4	-178.8	51.6	0	0	0	0	113.3	A303 L304 D305	S301-A303 VanDerWaalsContact C-N 3.34Å; S301-L304 PolarHBondContact O-N 3.38Å; S301-D305 PolarHBondContact O-N 3.1Å
302	K	98.8	Very high	98	Very high	71 Å²	71	56.3 Å²	56.3	31%	0.309	29%	0.294	S	S	.	.	H	α-helix	trans	-67.7	-35.7	175.5	-58.2	-179.4	173.1	-170.9	0	110.8	D300 L304 D305 L306 H327 P328 Y329 E331	D300-K302 VanDerWaalsContact C-N 3.28Å; D300-K302 PolarHBondContact O-N 3.46Å; D300-K302 WeakPolarHBondContact OD1-CA 3.21Å; D300-K302 WeakPolarHBondContact OD1-CB 2.86Å; D300-K302 PolarHBondContact OD1-N 3.38Å; K302-L304 VanDerWaalsContact C-N 3.33Å; K302-D305 PolarHBondContact O-N 2.93Å; K302-L306 PolarHBondContact O-N 3.24Å; K302-L306 VanDerWaalsContact O-N 3.08Å; K302-H327 PolarHBondContact O-CE1 2.85Å; K302-H327 VanDerWaalsContact O-CE1 3.26Å; K302-P328 HydrophobicContact CD-CB 4.15Å; K302-P328 WeakPolarHBondContact CD-O 3.37Å; K302-P328 PolarHBondContact NZ-O 2.94Å; K302-Y329 HydrophobicContact CB-CD2 4.04Å; K302-Y329 HydrophobicContact CB-CG 4.4Å; K302-E331 IonicContact NZ-OE1 3.67Å; K302-E331 PolarHBondContact NZ-OE1 2.91Å; K302-E331 IonicContact NZ-OE2 3.74Å; K302-E331 PolarHBondContact NZ-OE2 3.22Å
303	A	98.7	Very high	97.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-41.3	173.9	0	0	0	0	0	111.3	D300 S301 L306 L307 Y329	D300-A303 HydrophobicContact CB-CB 4.14Å; D300-A303 VanDerWaalsContact O-CB 3.32Å; D300-A303 WeakPolarHBondContact O-CB 3.08Å; D300-A303 PolarHBondContact O-N 3.07Å; D300-A303 VanDerWaalsContact O-N 3.08Å; S301-A303 VanDerWaalsContact C-N 3.34Å; A303-L306 PolarHBondContact O-N 2.91Å; A303-L307 WeakPolarHBondContact O-CB 3.32Å; A303-L307 PolarHBondContact O-N 2.92Å; A303-Y329 HydrophobicContact CB-CD1 4.24Å; A303-Y329 HydrophobicContact CB-CD2 3.84Å; A303-Y329 HydrophobicContact CB-CE1 3.93Å; A303-Y329 HydrophobicContact CB-CE2 3.52Å; A303-Y329 HydrophobicContact CB-CG 4.19Å
304	L	98.8	Very high	97.6	Very high	17 Å²	17	53.6 Å²	53.6	9%	0.089	27%	0.271	C	S	.	.	H	α-helix	trans	-69.8	-33.8	178.3	-58.7	-173.7	0	0	0	112.9	L239 W292 A293 F296 D300 S301 K302 L307 D308	L239-L304 HydrophobicContact CD1-CD2 4.1Å; W292-L304 HydrophobicContact CB-CB 4.19Å; W292-L304 HydrophobicContact CB-CD1 4.25Å; W292-L304 HydrophobicContact CB-CD2 4.3Å; W292-L304 HydrophobicContact CB-CG 4.48Å; A293-L304 HydrophobicContact CB-CD1 4.28Å; F296-L304 HydrophobicContact CB-CD2 3.81Å; F296-L304 HydrophobicContact CD2-CD2 3.86Å; F296-L304 HydrophobicContact CG-CD2 4.2Å; D300-L304 WeakPolarHBondContact O-CG 3.49Å; D300-L304 PolarHBondContact O-N 3.28Å; D300-L304 VanDerWaalsContact O-N 3.13Å; S301-L304 PolarHBondContact O-N 3.38Å; K302-L304 VanDerWaalsContact C-N 3.33Å; L304-L307 HydrophobicContact CD2-CD2 4.44Å; L304-L307 PolarHBondContact O-N 3.13Å; L304-D308 PolarHBondContact O-N 3.21Å
305	D	98.9	Very high	97.3	Very high	68 Å²	68	47 Å²	47	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-48.2	172.2	-166.9	73.4	0	0	0	111	S301 K302 L307 D308 R309 H327	S301-D305 PolarHBondContact O-N 3.1Å; K302-D305 PolarHBondContact O-N 2.93Å; D305-L307 VanDerWaalsContact C-N 3.31Å; D305-L307 PolarHBondContact O-N 3.31Å; D305-D308 WeakPolarHBondContact O-CB 3.48Å; D305-D308 PolarHBondContact O-N 3.33Å; D305-R309 WeakPolarHBondContact O-CG 3.37Å; D305-R309 PolarHBondContact O-N 3.02Å; D305-R309 VanDerWaalsContact O-N 3.15Å; D305-R309 IonicContact OD2-CZ 3.87Å; D305-R309 IonicContact OD2-NE 3.86Å; D305-R309 PolarHBondContact OD2-NE 3Å; D305-R309 IonicContact OD2-NH2 3.08Å; D305-R309 PolarHBondContact OD2-NH2 3.42Å; D305-R309 VanDerWaalsContact OD2-NH2 3.13Å; D305-H327 IonicContact OD2-CE1 2.76Å; D305-H327 IonicContact OD2-NE2 3.04Å; D305-H327 PolarHBondContact OD2-NE2 2.97Å
306	L	98.9	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-41	176.4	-174.2	52	0	0	0	111.7	L147 K302 A303 D308 R309 M310 I319 A324 H327 Y329 L330	L147-L306 HydrophobicContact CD2-CD2 3.68Å; K302-L306 PolarHBondContact O-N 3.24Å; K302-L306 VanDerWaalsContact O-N 3.08Å; A303-L306 PolarHBondContact O-N 2.91Å; L306-D308 VanDerWaalsContact C-N 3.33Å; L306-D308 PolarHBondContact O-N 2.86Å; L306-R309 PolarHBondContact O-N 2.83Å; L306-M310 HydrophobicContact CD1-CE 3.92Å; L306-M310 HydrophobicContact CD1-CG 4.41Å; L306-M310 HydrophobicContact CD2-CE 4.09Å; L306-M310 HydrophobicContact CG-CE 3.85Å; L306-M310 HydrophobicContact CG-SD 4.36Å; L306-M310 WeakPolarHBondContact O-CG 3.22Å; L306-M310 PolarHBondContact O-N 3.45Å; L306-I319 HydrophobicContact CD1-CD1 3.85Å; L306-A324 HydrophobicContact CD1-CB 4.11Å; L306-H327 HydrophobicContact CD1-CB 3.88Å; L306-H327 HydrophobicContact CD2-CB 4.2Å; L306-Y329 HydrophobicContact CD2-CD1 4.1Å; L306-L330 HydrophobicContact CD2-CD1 4.35Å; L306-L330 HydrophobicContact CD2-CG 4.42Å
307	L	98.9	Very high	96.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-42.1	175.6	-178.2	65.2	0	0	0	112.1	G232 L235 A236 L239 W292 F296 A303 L304 D305 R309 M310 L311	G232-L307 WeakPolarHBondContact O-CD1 3.02Å; L235-L307 HydrophobicContact CB-CD1 4.19Å; L235-L307 HydrophobicContact CD2-CB 3.98Å; L235-L307 HydrophobicContact CD2-CD1 4.11Å; L235-L307 HydrophobicContact CG-CD1 4.15Å; A236-L307 HydrophobicContact CB-CD1 4.04Å; A236-L307 HydrophobicContact CB-CD2 4.28Å; L239-L307 HydrophobicContact CD1-CD2 4.2Å; W292-L307 HydrophobicContact CD2-CD2 4.31Å; W292-L307 HydrophobicContact CE3-CD2 4.01Å; W292-L307 HydrophobicContact CZ3-CD2 4.3Å; F296-L307 HydrophobicContact CD2-CD2 4.06Å; F296-L307 HydrophobicContact CE2-CD2 3.63Å; F296-L307 HydrophobicContact CZ-CD2 4.48Å; A303-L307 WeakPolarHBondContact O-CB 3.32Å; A303-L307 PolarHBondContact O-N 2.92Å; L304-L307 HydrophobicContact CD2-CD2 4.44Å; L304-L307 PolarHBondContact O-N 3.13Å; D305-L307 VanDerWaalsContact C-N 3.31Å; D305-L307 PolarHBondContact O-N 3.31Å; L307-R309 VanDerWaalsContact C-N 3.34Å; L307-R309 PolarHBondContact O-N 3.36Å; L307-M310 PolarHBondContact O-N 3.34Å; L307-L311 HydrophobicContact CD1-CD1 3.62Å; L307-L311 HydrophobicContact CD1-CG 3.97Å; L307-L311 HydrophobicContact CG-CD1 4.1Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 PolarHBondContact O-N 2.94Å
308	D	98.8	Very high	96.9	Very high	50 Å²	50	49.3 Å²	49.3	27%	0.267	25%	0.248	S	C	.	.	H	α-helix	trans	-61.7	-43	177	-167.6	58.7	0	0	0	111.9	K289 W292 L304 D305 L306 L311 T312	K289-D308 VanDerWaalsContact CE-OD1 3.31Å; K289-D308 WeakPolarHBondContact CE-OD1 3.01Å; K289-D308 IonicContact NZ-OD1 2.74Å; K289-D308 PolarHBondContact NZ-OD1 3.32Å; W292-D308 VanDerWaalsContact NE1-CB 3.33Å; W292-D308 PolarHBondContact NE1-OD1 2.92Å; L304-D308 PolarHBondContact O-N 3.21Å; D305-D308 WeakPolarHBondContact O-CB 3.48Å; D305-D308 PolarHBondContact O-N 3.33Å; L306-D308 VanDerWaalsContact C-N 3.33Å; L306-D308 PolarHBondContact O-N 2.86Å; D308-L311 CarbonylContact O-C 3.42Å; D308-L311 PolarHBondContact O-N 2.96Å; D308-T312 PolarHBondContact O-N 3.38Å; D308-T312 PolarHBondContact O-OG1 3.43Å
309	R	98.8	Very high	97.1	Very high	119 Å²	119	40 Å²	40	45%	0.449	21%	0.208	S	C	.	.	H	α-helix	trans	-67.6	-35.3	178.7	-64.8	175.9	-173.1	-107.6	-0.4	112.8	D305 L306 L307 T312 I319	D305-R309 WeakPolarHBondContact O-CG 3.37Å; D305-R309 PolarHBondContact O-N 3.02Å; D305-R309 VanDerWaalsContact O-N 3.15Å; D305-R309 IonicContact OD2-CZ 3.87Å; D305-R309 IonicContact OD2-NE 3.86Å; D305-R309 PolarHBondContact OD2-NE 3Å; D305-R309 IonicContact OD2-NH2 3.08Å; D305-R309 PolarHBondContact OD2-NH2 3.42Å; D305-R309 VanDerWaalsContact OD2-NH2 3.13Å; L306-R309 PolarHBondContact O-N 2.83Å; L307-R309 VanDerWaalsContact C-N 3.34Å; L307-R309 PolarHBondContact O-N 3.36Å; R309-T312 PolarHBondContact O-OG1 2.89Å; R309-I319 HydrophobicContact CB-CB 4Å; R309-I319 HydrophobicContact CB-CD1 4.13Å; R309-I319 HydrophobicContact CB-CG2 4.06Å; R309-I319 PolarHBondContact O-N 2.95Å
310	M	98.8	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-73.6	-41.9	174.1	-69.6	-178	172.3	0	0	112.5	L147 L151 I228 V231 L235 L306 L307 T312 R318 I319 A324	L147-M310 HydrophobicContact CD1-CE 4.28Å; L151-M310 HydrophobicContact CD1-CE 3.86Å; L151-M310 HydrophobicContact CD2-CE 3.88Å; L151-M310 HydrophobicContact CG-CE 4.36Å; I228-M310 HydrophobicContact CG2-CB 4.1Å; I228-M310 HydrophobicContact CG2-CG 3.92Å; V231-M310 HydrophobicContact CG1-CE 4.03Å; V231-M310 HydrophobicContact CG1-SD 3.98Å; L235-M310 HydrophobicContact CD2-SD 4.41Å; L306-M310 HydrophobicContact CD1-CE 3.92Å; L306-M310 HydrophobicContact CD1-CG 4.41Å; L306-M310 HydrophobicContact CD2-CE 4.09Å; L306-M310 HydrophobicContact CG-CE 3.85Å; L306-M310 HydrophobicContact CG-SD 4.36Å; L306-M310 WeakPolarHBondContact O-CG 3.22Å; L306-M310 PolarHBondContact O-N 3.45Å; L307-M310 PolarHBondContact O-N 3.34Å; M310-T312 PolarHBondContact O-N 3.37Å; M310-R318 WeakPolarHBondContact O-CD 3.01Å; M310-R318 VanDerWaalsContact O-CG 3.27Å; M310-R318 WeakPolarHBondContact O-CG 3.39Å; M310-R318 PolarHBondContact O-NE 2.92Å; M310-I319 HydrophobicContact CB-CG2 4.47Å; M310-I319 HydrophobicContact CG-CG2 3.79Å; M310-A324 HydrophobicContact CE-CB 3.83Å
311	L	98.6	Very high	97.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	35.4	179	-62.5	-175.5	0	0	0	112.5	W229 I244 F245 L261 W292 L307 D308	W229-L311 HydrophobicContact CD2-CD2 3.94Å; W229-L311 HydrophobicContact CE3-CD2 4.02Å; W229-L311 HydrophobicContact CG-CD2 4.48Å; W229-L311 HydrophobicContact CH2-CD2 4.29Å; W229-L311 HydrophobicContact CZ2-CD2 4.19Å; W229-L311 HydrophobicContact CZ3-CB 4.35Å; W229-L311 HydrophobicContact CZ3-CD2 4.21Å; I244-L311 HydrophobicContact CD1-CD1 3.83Å; F245-L311 HydrophobicContact CE2-CD1 4.14Å; F245-L311 HydrophobicContact CE2-CD2 4.22Å; F245-L311 HydrophobicContact CZ-CD1 4.21Å; L261-L311 VanDerWaalsContact CD1-O 3.28Å; L261-L311 WeakPolarHBondContact CD1-O 3.24Å; L261-L311 WeakPolarHBondContact CD2-O 2.92Å; W292-L311 HydrophobicContact CH2-CB 4.23Å; W292-L311 HydrophobicContact CH2-CD1 3.69Å; W292-L311 HydrophobicContact CZ2-CB 4.17Å; W292-L311 HydrophobicContact CZ2-CD1 4.33Å; W292-L311 HydrophobicContact CZ3-CD1 4.3Å; L307-L311 HydrophobicContact CD1-CD1 3.62Å; L307-L311 HydrophobicContact CD1-CG 3.97Å; L307-L311 HydrophobicContact CG-CD1 4.1Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 PolarHBondContact O-N 2.94Å; D308-L311 CarbonylContact O-C 3.42Å; D308-L311 PolarHBondContact O-N 2.96Å
312	T	97.9	Very high	97.2	Very high	33 Å²	33	38.2 Å²	38.2	20%	0.202	19%	0.188	C	C	.	.			trans	-75.7	127.7	170.4	-70	0	0	0	0	109.9	D308 R309 M310 N314 K317 R318	D308-T312 PolarHBondContact O-N 3.38Å; D308-T312 PolarHBondContact O-OG1 3.43Å; R309-T312 PolarHBondContact O-OG1 2.89Å; M310-T312 PolarHBondContact O-N 3.37Å; T312-N314 PolarHBondContact O-N 3.13Å; T312-K317 HydrophobicContact CG2-CB 3.82Å; T312-R318 PolarHBondContact O-NE 3.42Å; T312-R318 PolarHBondContact O-NH2 3.04Å; T312-R318 VanDerWaalsContact O-NH2 3.11Å
313	F	94.9	Very high	97.2	Very high	21 Å²	21	40 Å²	40	9%	0.092	20%	0.198	C	C	.	.	S	Bend	trans	-60.1	-47.1	-175.1	179.7	-88.7	0	0	0	112.1	P213 L217 L258 L261 P264 D268 I272 L281 P315 R318	P213-F313 HydrophobicContact CB-CD2 3.96Å; P213-F313 HydrophobicContact CB-CE2 3.7Å; P213-F313 HydrophobicContact CB-CZ 4.41Å; P213-F313 HydrophobicContact CG-CD2 3.88Å; P213-F313 HydrophobicContact CG-CE2 4.1Å; P213-F313 HydrophobicContact CG-CG 4.43Å; L217-F313 HydrophobicContact CD1-CE2 4.37Å; L217-F313 HydrophobicContact CD1-CZ 3.79Å; L258-F313 HydrophobicContact CD2-CD2 4.3Å; L258-F313 HydrophobicContact CD2-CE2 3.9Å; L261-F313 HydrophobicContact CD1-CB 4.16Å; P264-F313 HydrophobicContact CB-CD1 3.98Å; P264-F313 HydrophobicContact CB-CE1 3.78Å; P264-F313 HydrophobicContact CB-CG 4.48Å; P264-F313 HydrophobicContact CB-CZ 4.1Å; P264-F313 HydrophobicContact CG-CD1 4.2Å; P264-F313 HydrophobicContact CG-CD2 4.22Å; P264-F313 HydrophobicContact CG-CE1 3.77Å; P264-F313 HydrophobicContact CG-CE2 3.78Å; P264-F313 HydrophobicContact CG-CG 4.42Å; P264-F313 HydrophobicContact CG-CZ 3.54Å; D268-F313 HydrophobicContact CB-CD1 4.03Å; D268-F313 HydrophobicContact CB-CE1 4.42Å; I272-F313 HydrophobicContact CD1-CE1 4.22Å; I272-F313 HydrophobicContact CD1-CZ 4.28Å; L281-F313 HydrophobicContact CD1-CZ 4.15Å; F313-P315 WeakPolarHBondContact O-CD 2.97Å; F313-R318 PolarHBondContact O-NH2 3.16Å
314	N	92.3	Very high	97.2	Very high	5 Å²	5	40 Å²	40	3%	0.027	20%	0.198	C	C	.	.	S	Bend	trans	-78.1	115.9	-179.9	-172.2	-21.8	0	0	0	110.2	D268 C271 T312 N316 K317 R318	D268-N314 HydrophobicContact CB-CB 4.18Å; D268-N314 VanDerWaalsContact OD1-CB 3.26Å; D268-N314 WeakPolarHBondContact OD1-CB 3.35Å; D268-N314 PolarHBondContact OD1-ND2 3.26Å; C271-N314 PolarHBondContact SG-ND2 3.38Å; T312-N314 PolarHBondContact O-N 3.13Å; N314-N316 PolarHBondContact O-N 2.63Å; N314-N316 VanDerWaalsContact O-N 3.16Å; N314-N316 PolarHBondContact OD1-N 3.38Å; N314-N316 VanDerWaalsContact OD1-N 3.16Å; N314-K317 HydrophobicContact CB-CB 4.32Å; N314-K317 HydrophobicContact CB-CD 4.13Å; N314-K317 HydrophobicContact CB-CG 4.25Å; N314-K317 PolarHBondContact O-N 3.15Å; N314-R318 PolarHBondContact O-N 2.89Å
315	P	91.3	Very high	97.2	Very high	29 Å²	29	39.2 Å²	39.2	19%	0.188	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61.1	-27.9	-176.2	24.1	-34.1	0	0	0	113.2	E214 S225 F313 K317 R318	E214-P315 HydrophobicContact CB-CG 4.36Å; E214-P315 HydrophobicContact CG-CB 4.39Å; E214-P315 HydrophobicContact CG-CG 4.2Å; S225-P315 VanDerWaalsContact OG-CB 3.3Å; S225-P315 WeakPolarHBondContact OG-CB 3.21Å; F313-P315 WeakPolarHBondContact O-CD 2.97Å; P315-K317 VanDerWaalsContact C-N 3.27Å; P315-K317 PolarHBondContact O-N 3.48Å; P315-R318 WeakPolarHBondContact O-CB 3.41Å; P315-R318 PolarHBondContact O-N 3.32Å
316	N	90.8	Very high	97.2	Very high	129 Å²	129	38.3 Å²	38.3	69%	0.69	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-75.3	-16.2	179.9	-60.1	-32.7	0	0	0	113.4	N314	N314-N316 PolarHBondContact O-N 2.63Å; N314-N316 VanDerWaalsContact O-N 3.16Å; N314-N316 PolarHBondContact OD1-N 3.38Å; N314-N316 VanDerWaalsContact OD1-N 3.16Å
317	K	95.3	Very high	97.2	Very high	92 Å²	92	38.9 Å²	38.9	40%	0.4	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-104.1	-4	176.6	-62.3	178.9	-180	171	0	112.1	E267 D268 T312 N314 P315	E267-K317 WeakPolarHBondContact OE1-CE 3.37Å; E267-K317 IonicContact OE1-NZ 3.98Å; E267-K317 PolarHBondContact OE1-NZ 2.88Å; E267-K317 IonicContact OE2-NZ 3.38Å; E267-K317 PolarHBondContact OE2-NZ 3Å; D268-K317 IonicContact OD1-NZ 2.66Å; D268-K317 PolarHBondContact OD1-NZ 2.83Å; T312-K317 HydrophobicContact CG2-CB 3.82Å; N314-K317 HydrophobicContact CB-CB 4.32Å; N314-K317 HydrophobicContact CB-CD 4.13Å; N314-K317 HydrophobicContact CB-CG 4.25Å; N314-K317 PolarHBondContact O-N 3.15Å; P315-K317 VanDerWaalsContact C-N 3.27Å; P315-K317 PolarHBondContact O-N 3.48Å
318	R	97.2	Very high	97.2	Very high	11 Å²	11	42 Å²	42	4%	0.042	22%	0.218	C	C	.	.	S	Bend	trans	-74.7	135.9	-178.9	-166.1	177.6	-60.2	139.1	5.4	108.8	E214 S225 I228 M310 T312 F313 N314 P315	E214-R318 IonicContact OE1-CZ 2.77Å; E214-R318 IonicContact OE1-NH1 3.99Å; E214-R318 PolarHBondContact OE1-NH1 3.31Å; E214-R318 IonicContact OE1-NH2 3.85Å; E214-R318 PolarHBondContact OE1-NH2 3.38Å; E214-R318 IonicContact OE2-CZ 3.8Å; E214-R318 IonicContact OE2-NH1 3.87Å; E214-R318 IonicContact OE2-NH2 3.87Å; E214-R318 PolarHBondContact OE2-NH2 2.95Å; S225-R318 VanDerWaalsContact C-NH1 3.29Å; S225-R318 WeakPolarHBondContact O-CD 3.35Å; S225-R318 PolarHBondContact O-NH1 3.26Å; S225-R318 PolarHBondContact OG-NH1 3.26Å; I228-R318 HydrophobicContact CB-CG 4.46Å; I228-R318 HydrophobicContact CG2-CG 3.91Å; M310-R318 WeakPolarHBondContact O-CD 3.01Å; M310-R318 VanDerWaalsContact O-CG 3.27Å; M310-R318 WeakPolarHBondContact O-CG 3.39Å; M310-R318 PolarHBondContact O-NE 2.92Å; T312-R318 PolarHBondContact O-NE 3.42Å; T312-R318 PolarHBondContact O-NH2 3.04Å; T312-R318 VanDerWaalsContact O-NH2 3.11Å; F313-R318 PolarHBondContact O-NH2 3.16Å; N314-R318 PolarHBondContact O-N 2.89Å; P315-R318 WeakPolarHBondContact O-CB 3.41Å; P315-R318 PolarHBondContact O-N 3.32Å
319	I	98.7	Very high	97.2	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.062	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-54.1	142.2	-179.8	-164.4	170.6	0	0	0	111.6	I228 L306 R309 M310 E323 A324	I228-I319 HydrophobicContact CG2-CG2 3.92Å; I228-I319 WeakPolarHBondContact CG2-O 2.99Å; L306-I319 HydrophobicContact CD1-CD1 3.85Å; R309-I319 HydrophobicContact CB-CB 4Å; R309-I319 HydrophobicContact CB-CD1 4.13Å; R309-I319 HydrophobicContact CB-CG2 4.06Å; R309-I319 PolarHBondContact O-N 2.95Å; M310-I319 HydrophobicContact CB-CG2 4.47Å; M310-I319 HydrophobicContact CG-CG2 3.79Å; I319-E323 HydrophobicContact CD1-CB 3.96Å; I319-E323 HydrophobicContact CG1-CB 3.37Å; I319-A324 HydrophobicContact CD1-CB 4.06Å; I319-A324 HydrophobicContact CG1-CB 4.33Å; I319-A324 HydrophobicContact CG2-CB 4.38Å
320	T	98.4	Very high	97.2	Very high	60 Å²	60	34.4 Å²	34.4	37%	0.368	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-79.3	171.1	172.3	77.2	0	0	0	0	111.5	E322 E323 A324	T320-E322 VanDerWaalsContact C-N 3.35Å; T320-E322 PolarHBondContact OG1-OE2 3.39Å; T320-E323 PolarHBondContact N-OE2 3.29Å; T320-E323 WeakPolarHBondContact OG1-CG 3.48Å; T320-E323 PolarHBondContact OG1-N 3.49Å; T320-A324 VanDerWaalsContact O-CB 3.28Å; T320-A324 WeakPolarHBondContact O-CB 3.31Å; T320-A324 PolarHBondContact O-N 3.14Å
321	V	98.6	Very high	97.2	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-38.1	177.9	65.3	0	0	0	0	111.8	L151 L154 K155 H158 I228 A324 L325	L151-V321 HydrophobicContact CB-CG2 4.34Å; L151-V321 HydrophobicContact CD2-CG2 4.06Å; L151-V321 VanDerWaalsContact O-CG2 3.27Å; L151-V321 WeakPolarHBondContact O-CG2 3.28Å; L154-V321 HydrophobicContact CB-CG2 4.06Å; L154-V321 HydrophobicContact CD2-CG2 4.42Å; L154-V321 HydrophobicContact CG-CG2 4.25Å; K155-V321 HydrophobicContact CB-CG1 4.2Å; K155-V321 HydrophobicContact CB-CG2 3.99Å; H158-V321 HydrophobicContact CB-CG1 4.33Å; I228-V321 HydrophobicContact CD1-CB 3.93Å; V321-A324 PolarHBondContact O-N 3.28Å; V321-L325 HydrophobicContact CG2-CD1 4.46Å; V321-L325 WeakPolarHBondContact O-CG 3.34Å; V321-L325 PolarHBondContact O-N 2.72Å
322	E	98.5	Very high	97.1	Very high	84 Å²	84	45.7 Å²	45.7	39%	0.393	24%	0.239	S	C	.	.	H	α-helix	trans	-68.4	-42.6	177.9	-59.5	82.6	179.9	0	0	111.6	T320 A324 L325 A326	T320-E322 VanDerWaalsContact C-N 3.35Å; T320-E322 PolarHBondContact OG1-OE2 3.39Å; E322-A324 VanDerWaalsContact C-N 3.31Å; E322-A324 PolarHBondContact O-N 3.17Å; E322-L325 PolarHBondContact O-N 2.82Å; E322-A326 PolarHBondContact O-N 2.84Å; E322-A326 VanDerWaalsContact O-N 3.09Å
323	E	98.7	Very high	97.1	Very high	109 Å²	109	47.4 Å²	47.4	51%	0.509	24%	0.242	S	C	.	.	H	α-helix	trans	-64.7	-36.5	174.9	-70	173.4	157.7	0	0	111.7	I319 T320 A326 H327	I319-E323 HydrophobicContact CD1-CB 3.96Å; I319-E323 HydrophobicContact CG1-CB 3.37Å; T320-E323 PolarHBondContact N-OE2 3.29Å; T320-E323 WeakPolarHBondContact OG1-CG 3.48Å; T320-E323 PolarHBondContact OG1-N 3.49Å; E323-A326 PolarHBondContact O-N 3.14Å; E323-H327 PolarHBondContact O-N 3.06Å
324	A	98.8	Very high	97.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-40.7	176.6	0	0	0	0	0	112.2	L151 L306 M310 I319 T320 V321 E322 A326 H327 L330	L151-A324 HydrophobicContact CD1-CB 3.91Å; L151-A324 HydrophobicContact CD2-CB 4.03Å; L306-A324 HydrophobicContact CD1-CB 4.11Å; M310-A324 HydrophobicContact CE-CB 3.83Å; I319-A324 HydrophobicContact CD1-CB 4.06Å; I319-A324 HydrophobicContact CG1-CB 4.33Å; I319-A324 HydrophobicContact CG2-CB 4.38Å; T320-A324 VanDerWaalsContact O-CB 3.28Å; T320-A324 WeakPolarHBondContact O-CB 3.31Å; T320-A324 PolarHBondContact O-N 3.14Å; V321-A324 PolarHBondContact O-N 3.28Å; E322-A324 VanDerWaalsContact C-N 3.31Å; E322-A324 PolarHBondContact O-N 3.17Å; A324-A326 VanDerWaalsContact C-N 3.34Å; A324-H327 WeakPolarHBondContact O-CB 3.26Å; A324-H327 PolarHBondContact O-N 3.36Å; A324-L330 WeakPolarHBondContact O-CD1 3.45Å
325	L	98.8	Very high	97.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-40.8	174.2	-79.1	164.4	0	0	0	111.8	Y148 L151 K155 V321 E322 H327 Y334	Y148-L325 HydrophobicContact CD2-CD2 3.84Å; Y148-L325 HydrophobicContact CE2-CD2 4.01Å; L151-L325 HydrophobicContact CB-CD1 4.48Å; L151-L325 HydrophobicContact CB-CD2 3.67Å; L151-L325 HydrophobicContact CB-CG 3.85Å; K155-L325 HydrophobicContact CB-CD1 3.91Å; K155-L325 HydrophobicContact CD-CD1 3.7Å; K155-L325 HydrophobicContact CG-CD1 4.28Å; V321-L325 HydrophobicContact CG2-CD1 4.46Å; V321-L325 WeakPolarHBondContact O-CG 3.34Å; V321-L325 PolarHBondContact O-N 2.72Å; E322-L325 PolarHBondContact O-N 2.82Å; L325-H327 PolarHBondContact O-N 2.95Å; L325-Y334 VanDerWaalsContact C-CD2 3.4Å; L325-Y334 HydrophobicContact CB-CD2 3.9Å; L325-Y334 HydrophobicContact CB-CE2 3.97Å; L325-Y334 WeakPolarHBondContact O-CD2 3.38Å
326	A	98.6	Very high	97.7	Very high	49 Å²	49	55.4 Å²	55.4	41%	0.405	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-0.2	177	0	0	0	0	0	114.3	E322 E323 A324 Y334	E322-A326 PolarHBondContact O-N 2.84Å; E322-A326 VanDerWaalsContact O-N 3.09Å; E323-A326 PolarHBondContact O-N 3.14Å; A324-A326 VanDerWaalsContact C-N 3.34Å; A326-Y334 HydrophobicContact CB-CE1 4.08Å; A326-Y334 HydrophobicContact CB-CE2 4.03Å
327	H	98.9	Very high	97.9	Very high	11 Å²	11	55.4 Å²	55.4	5%	0.051	29%	0.286	C	S	.	.	S	Bend	trans	-70.7	143	-175.9	-170.5	-91.5	0	0	0	112	K302 D305 L306 E323 A324 L325 Y329 L330	K302-H327 PolarHBondContact O-CE1 2.85Å; K302-H327 VanDerWaalsContact O-CE1 3.26Å; D305-H327 IonicContact OD2-CE1 2.76Å; D305-H327 IonicContact OD2-NE2 3.04Å; D305-H327 PolarHBondContact OD2-NE2 2.97Å; L306-H327 HydrophobicContact CD1-CB 3.88Å; L306-H327 HydrophobicContact CD2-CB 4.2Å; E323-H327 PolarHBondContact O-N 3.06Å; A324-H327 WeakPolarHBondContact O-CB 3.26Å; A324-H327 PolarHBondContact O-N 3.36Å; L325-H327 PolarHBondContact O-N 2.95Å; H327-Y329 WeakPolarHBondContact ND1-CB 3Å; H327-Y329 PolarHBondContact ND1-N 3.25Å; H327-Y329 VanDerWaalsContact ND1-N 3.18Å; H327-Y329 PolarHBondContact O-N 2.99Å; H327-L330 PolarHBondContact O-N 3.08Å
328	P	98.8	Very high	98	Very high	65 Å²	65	55.1 Å²	55.1	42%	0.422	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-17	-179.5	-29.5	36	0	0	0	116.7	K302 L330 E331	K302-P328 HydrophobicContact CD-CB 4.15Å; K302-P328 WeakPolarHBondContact CD-O 3.37Å; K302-P328 PolarHBondContact NZ-O 2.94Å; P328-L330 VanDerWaalsContact C-N 3.29Å; P328-E331 WeakPolarHBondContact O-CG 3.2Å
329	Y	98.8	Very high	98	Very high	11 Å²	11	54.8 Å²	54.8	4%	0.043	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-26.4	174.7	-176.9	-122.2	0	0	0	112.5	N140 C144 L147 D300 K302 A303 L306 H327	N140-Y329 PolarHBondContact O-OH 3.32Å; N140-Y329 WeakPolarHBondContact OD1-CE2 3.35Å; N140-Y329 PolarHBondContact OD1-OH 3.08Å; C144-Y329 HydrophobicContact CB-CE1 4.12Å; C144-Y329 HydrophobicContact CB-CE2 4.35Å; C144-Y329 PolarHBondContact N-OH 3.36Å; C144-Y329 PolarHBondContact SG-O 3.06Å; L147-Y329 HydrophobicContact CD2-CD1 3.9Å; L147-Y329 HydrophobicContact CD2-CE1 3.87Å; D300-Y329 HydrophobicContact CB-CE2 4.21Å; K302-Y329 HydrophobicContact CB-CD2 4.04Å; K302-Y329 HydrophobicContact CB-CG 4.4Å; A303-Y329 HydrophobicContact CB-CD1 4.24Å; A303-Y329 HydrophobicContact CB-CD2 3.84Å; A303-Y329 HydrophobicContact CB-CE1 3.93Å; A303-Y329 HydrophobicContact CB-CE2 3.52Å; A303-Y329 HydrophobicContact CB-CG 4.19Å; L306-Y329 HydrophobicContact CD2-CD1 4.1Å; H327-Y329 WeakPolarHBondContact ND1-CB 3Å; H327-Y329 PolarHBondContact ND1-N 3.25Å; H327-Y329 VanDerWaalsContact ND1-N 3.18Å; H327-Y329 PolarHBondContact O-N 2.99Å
330	L	98.7	Very high	97.9	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-107.6	10.1	-177.2	-57.6	-179.2	0	0	0	112.4	L147 L151 L306 A324 H327 P328 Q332 Y333 Y334	L147-L330 HydrophobicContact CB-CD2 4.42Å; L147-L330 HydrophobicContact CD2-CD2 4.22Å; L147-L330 HydrophobicContact CG-CD2 4.43Å; L151-L330 HydrophobicContact CD1-CD1 3.47Å; L151-L330 VanDerWaalsContact CD1-CD1 3.47Å; L306-L330 HydrophobicContact CD2-CD1 4.35Å; L306-L330 HydrophobicContact CD2-CG 4.42Å; A324-L330 WeakPolarHBondContact O-CD1 3.45Å; H327-L330 PolarHBondContact O-N 3.08Å; P328-L330 VanDerWaalsContact C-N 3.29Å; L330-Q332 PolarHBondContact O-N 2.96Å; L330-Y333 PolarHBondContact O-N 3.43Å; L330-Y334 PolarHBondContact O-N 2.78Å
331	E	97.9	Very high	97.9	Very high	126 Å²	126	58 Å²	58	59%	0.589	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.1	-173.6	71.5	-167.6	175.9	0	0	114	K302 P328 Y333	K302-E331 IonicContact NZ-OE1 3.67Å; K302-E331 PolarHBondContact NZ-OE1 2.91Å; K302-E331 IonicContact NZ-OE2 3.74Å; K302-E331 PolarHBondContact NZ-OE2 3.22Å; P328-E331 WeakPolarHBondContact O-CG 3.2Å; E331-Y333 VanDerWaalsContact C-N 3.34Å
332	Q	97.7	Very high	97.8	Very high	111 Å²	111	58.7 Å²	58.7	52%	0.519	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-21.5	179.6	68	-178.4	-21	0	0	114.3	C144 L330	C144-Q332 PolarHBondContact SG-NE2 2.92Å; L330-Q332 PolarHBondContact O-N 2.96Å
333	Y	97.9	Very high	97.5	Very high	68 Å²	68	64 Å²	64	27%	0.267	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-19.9	-177.5	-60.7	-61.5	0	0	0	113	C144 Y145 Y148 L330 E331 D335	C144-Y333 HydrophobicContact CB-CE2 4.36Å; Y145-Y333 HydrophobicContact CD2-CD1 4.18Å; Y145-Y333 AromaticContact CD2-CE1 3.7Å; Y145-Y333 HydrophobicContact CD2-CE1 3.7Å; Y145-Y333 HydrophobicContact CD2-CE2 4.08Å; Y145-Y333 AromaticContact CD2-CZ 3.66Å; Y145-Y333 HydrophobicContact CE2-CE1 4.23Å; Y148-Y333 HydrophobicContact CD1-CG 4.13Å; Y148-Y333 VanDerWaalsContact CD2-CB 3.45Å; Y148-Y333 HydrophobicContact CD2-CG 4.46Å; Y148-Y333 WeakPolarHBondContact CE2-O 3.38Å; Y148-Y333 VanDerWaalsContact CG-CB 3.48Å; Y148-Y333 HydrophobicContact CG-CD2 4.25Å; Y148-Y333 HydrophobicContact CG-CG 4.04Å; Y148-Y333 VanDerWaalsContact CZ-O 3.23Å; Y148-Y333 PolarHBondContact OH-O 3.02Å; L330-Y333 PolarHBondContact O-N 3.43Å; E331-Y333 VanDerWaalsContact C-N 3.34Å; Y333-D335 PolarHBondContact O-N 3.15Å; Y333-D335 VanDerWaalsContact O-N 3.11Å
334	Y	97.7	Very high	97.2	Very high	90 Å²	90	64.9 Å²	64.9	35%	0.353	34%	0.344	S	S	.	.			trans	-61	114.3	-177.7	179.2	-118	0	0	0	111.4	L325 A326 L330 P336 E339	L325-Y334 VanDerWaalsContact C-CD2 3.4Å; L325-Y334 HydrophobicContact CB-CD2 3.9Å; L325-Y334 HydrophobicContact CB-CE2 3.97Å; L325-Y334 WeakPolarHBondContact O-CD2 3.38Å; A326-Y334 HydrophobicContact CB-CE1 4.08Å; A326-Y334 HydrophobicContact CB-CE2 4.03Å; L330-Y334 PolarHBondContact O-N 2.78Å; Y334-P336 HydrophobicContact CE1-CG 3.79Å; Y334-P336 HydrophobicContact CE2-CG 3.8Å; Y334-P336 VanDerWaalsContact OH-CG 3.3Å; Y334-P336 WeakPolarHBondContact OH-CG 3.19Å; Y334-E339 WeakPolarHBondContact CD2-OE1 3.29Å
335	D	97.4	Very high	96.8	Very high	67 Å²	67	68.4 Å²	68.4	36%	0.358	37%	0.367	S	S	.	.			trans	-145.4	98.7	173.5	-176.9	-9.5	0	0	0	108.6	Y333 T337 D338 E339	Y333-D335 PolarHBondContact O-N 3.15Å; Y333-D335 VanDerWaalsContact O-N 3.11Å; D335-T337 PolarHBondContact O-N 3.43Å; D335-T337 WeakPolarHBondContact OD1-CB 3.42Å; D335-T337 PolarHBondContact OD1-N 2.81Å; D335-T337 PolarHBondContact OD1-OG1 3.15Å; D335-T337 PolarHBondContact OD2-OG1 3.46Å; D335-D338 HydrophobicContact CB-CB 4.35Å; D335-D338 CarbonylContact O-C 3.5Å; D335-D338 PolarHBondContact O-N 2.98Å; D335-E339 PolarHBondContact N-OE1 2.77Å; D335-E339 WeakPolarHBondContact O-CG 3.49Å; D335-E339 PolarHBondContact O-N 3.15Å
336	P	94.9	Very high	96.4	Very high	67 Å²	67	68.8 Å²	68.8	44%	0.435	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-55.2	-24.5	179.2	-29.8	37.6	0	0	0	114.7	Y334	Y334-P336 HydrophobicContact CE1-CG 3.79Å; Y334-P336 HydrophobicContact CE2-CG 3.8Å; Y334-P336 VanDerWaalsContact OH-CG 3.3Å; Y334-P336 WeakPolarHBondContact OH-CG 3.19Å
337	T	95.8	Very high	95.6	Very high	128 Å²	128	70.1 Å²	70.1	79%	0.785	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-79.7	-24.6	-178.8	71.9	0	0	0	0	112.6	D335	D335-T337 PolarHBondContact O-N 3.43Å; D335-T337 WeakPolarHBondContact OD1-CB 3.42Å; D335-T337 PolarHBondContact OD1-N 2.81Å; D335-T337 PolarHBondContact OD1-OG1 3.15Å; D335-T337 PolarHBondContact OD2-OG1 3.46Å
338	D	96.5	Very high	94.3	Very high	86 Å²	86	73.8 Å²	73.8	46%	0.46	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-104.9	21.9	173	-169.9	29.9	0	0	0	112.1	R152 D335 P340	R152-D338 PolarHBondContact NE-O 3.41Å; R152-D338 PolarHBondContact NH2-O 2.79Å; R152-D338 IonicContact NH2-OD1 3.01Å; R152-D338 PolarHBondContact NH2-OD1 2.67Å; R152-D338 VanDerWaalsContact NH2-OD1 3.08Å; R152-D338 IonicContact NH2-OD2 3.55Å; D335-D338 HydrophobicContact CB-CB 4.35Å; D335-D338 CarbonylContact O-C 3.5Å; D335-D338 PolarHBondContact O-N 2.98Å; D338-P340 WeakPolarHBondContact O-CD 3.39Å
339	E	97.5	Very high	93	Very high	5 Å²	5	75.2 Å²	75.2	2%	0.023	41%	0.405	C	S	.	.	S	Bend	trans	-121.9	75.9	176.2	-72.5	167.5	-168.2	0	0	109.7	R152 K155 Y334 D335	R152-E339 HydrophobicContact CG-CG 4.17Å; K155-E339 HydrophobicContact CD-CB 3.99Å; K155-E339 WeakPolarHBondContact CE-O 3.36Å; K155-E339 PolarHBondContact NZ-O 3.12Å; K155-E339 IonicContact NZ-OE2 2.92Å; K155-E339 PolarHBondContact NZ-OE2 2.88Å; Y334-E339 WeakPolarHBondContact CD2-OE1 3.29Å; D335-E339 PolarHBondContact N-OE1 2.77Å; D335-E339 WeakPolarHBondContact O-CG 3.49Å; D335-E339 PolarHBondContact O-N 3.15Å
340	P	97.7	Very high	91.8	Very high	57 Å²	57	77.7 Å²	77.7	37%	0.37	42%	0.418	S	S	.	.			trans	-68	156.9	-169.9	28	-35.1	0	0	0	112.7	D338	D338-P340 WeakPolarHBondContact O-CD 3.39Å
341	V	97.9	Very high	90.7	Very high	82 Å²	82	79.1 Å²	79.1	50%	0.497	42%	0.424	S	S	.	.			trans	-111.1	161.5	173	-66.5	0	0	0	0	109.7	S159	S159-V341 WeakPolarHBondContact OG-CA 3.38Å; S159-V341 WeakPolarHBondContact OG-CB 3.38Å
342	A	96.4	Very high	89.5	Confident	16 Å²	16	75 Å²	75	13%	0.132	41%	0.406	C	S	.	.			trans	-67.6	142.5	172.9	0	0	0	0	0	110.5	Y156 S159 A160 E344	Y156-A342 HydrophobicContact CE1-CB 4.46Å; Y156-A342 HydrophobicContact CE2-CB 4.13Å; S159-A342 PolarHBondContact OG-N 3.47Å; A160-A342 HydrophobicContact CB-CB 3.53Å; A342-E344 VanDerWaalsContact C-N 3.34Å; A342-E344 PolarHBondContact O-N 3.37Å
343	E	92.9	Very high	88.2	Confident	196 Å²	196	71.9 Å²	71.9	92%	0.916	39%	0.393	S	S	*	.	S	Bend	trans	-64.6	-39.7	-179.3	-65.3	177.5	-178.1	0	0	112
344	E	91	Very high	87.4	Confident	127 Å²	127	76 Å²	76	59%	0.593	42%	0.42	S	S	*	.	S	Bend	trans	-136.1	138.9	-179.2	-66.2	-174.6	164.1	0	0	111.3	R94 A342	R94-E344 IonicContact NH2-OE2 3.77Å; R94-E344 PolarHBondContact NH2-OE2 3.08Å; A342-E344 VanDerWaalsContact C-N 3.34Å; A342-E344 PolarHBondContact O-N 3.37Å
345	P	91.7	Very high	86.9	Confident	74 Å²	74	74.1 Å²	74.1	48%	0.481	42%	0.416	S	S	.	.			trans	-71.8	157.5	174.3	31	-34.4	0	0	0	111.8	A160 N161	A160-P345 WeakPolarHBondContact O-CA 3.49Å; N161-P345 HydrophobicContact CB-CB 3.94Å
346	F	88.8	Confident	86.7	Confident	9 Å²	9	74.2 Å²	74.2	4%	0.039	42%	0.419	C	S	.	.			trans	-78.4	139.9	164	-75.7	-104.8	0	0	0	109.9	I91 R94 F95 A160 V162 I190 M350	I91-F346 HydrophobicContact CB-CZ 4.49Å; I91-F346 HydrophobicContact CG1-CE1 4.16Å; I91-F346 HydrophobicContact CG1-CZ 4.27Å; R94-F346 HydrophobicContact CB-CE2 4.28Å; R94-F346 HydrophobicContact CB-CZ 3.78Å; R94-F346 HydrophobicContact CG-CZ 4.11Å; F95-F346 HydrophobicContact CD1-CE2 4.04Å; F95-F346 HydrophobicContact CE1-CD2 4.24Å; F95-F346 AromaticContact CE1-CE2 3.47Å; F95-F346 HydrophobicContact CE1-CE2 3.47Å; F95-F346 VanDerWaalsContact CE1-CE2 3.47Å; F95-F346 HydrophobicContact CE1-CZ 4.29Å; F95-F346 HydrophobicContact CZ-CE2 4.17Å; A160-F346 HydrophobicContact CB-CD2 4.06Å; A160-F346 HydrophobicContact CB-CE2 4.38Å; A160-F346 PolarHBondContact O-N 2.94Å; V162-F346 HydrophobicContact CG2-CB 4.1Å; V162-F346 HydrophobicContact CG2-CD2 3.6Å; V162-F346 HydrophobicContact CG2-CE2 4.18Å; V162-F346 HydrophobicContact CG2-CG 3.9Å; I190-F346 HydrophobicContact CD1-CB 3.74Å; I190-F346 HydrophobicContact CG1-CB 3.87Å; I190-F346 WeakPolarHBondContact CG2-O 3.32Å; F346-M350 HydrophobicContact CB-SD 4.35Å; F346-M350 HydrophobicContact CD1-CE 3.7Å; F346-M350 HydrophobicContact CD1-SD 3.8Å; F346-M350 HydrophobicContact CE1-CE 3.93Å; F346-M350 HydrophobicContact CG-SD 4.39Å
347	T	83.2	Confident	86.7	Confident	77 Å²	77	74.2 Å²	74.2	47%	0.472	41%	0.413	S	S	.	.			trans	-107.7	145.2	-179.5	61.5	0	0	0	0	111.2	I190 A349 M350	I190-T347 VanDerWaalsContact CD1-C 3.44Å; I190-T347 WeakPolarHBondContact CD1-O 3.45Å; T347-A349 PolarHBondContact O-N 3.49Å; T347-M350 VanDerWaalsContact O-CB 3.26Å; T347-M350 WeakPolarHBondContact O-CB 3.24Å; T347-M350 WeakPolarHBondContact O-CG 3.46Å; T347-M350 PolarHBondContact O-N 2.7Å
348	F	71.6	Confident	86.6	Confident	87 Å²	87	73.3 Å²	73.3	38%	0.382	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-53.3	-28.3	-178.9	-169.9	-94.3	0	0	0	114.5	D192 H197 M350 E351	D192-F348 HydrophobicContact CB-CD2 4.04Å; D192-F348 HydrophobicContact CB-CE2 4.42Å; H197-F348 AromaticContact CE1-CE2 3.67Å; F348-M350 PolarHBondContact O-N 2.87Å; F348-E351 HydrophobicContact CD2-CG 4.47Å; F348-E351 WeakPolarHBondContact O-CB 3.41Å; F348-E351 PolarHBondContact O-N 3.09Å
349	A	70.6	Confident	86.6	Confident	95 Å²	95	73.8 Å²	73.8	79%	0.785	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-58	-13.5	173	0	0	0	0	0	114.3	T347	T347-A349 PolarHBondContact O-N 3.49Å
350	M	75.1	Confident	86.5	Confident	64 Å²	64	73.6 Å²	73.6	32%	0.315	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-90.8	-5.9	176.2	-55.3	174.2	75.6	0	0	113.2	I190 F346 T347 F348	I190-M350 HydrophobicContact CD1-CB 4.03Å; F346-M350 HydrophobicContact CB-SD 4.35Å; F346-M350 HydrophobicContact CD1-CE 3.7Å; F346-M350 HydrophobicContact CD1-SD 3.8Å; F346-M350 HydrophobicContact CE1-CE 3.93Å; F346-M350 HydrophobicContact CG-SD 4.39Å; T347-M350 VanDerWaalsContact O-CB 3.26Å; T347-M350 WeakPolarHBondContact O-CB 3.24Å; T347-M350 WeakPolarHBondContact O-CG 3.46Å; T347-M350 PolarHBondContact O-N 2.7Å; F348-M350 PolarHBondContact O-N 2.87Å
351	E	75.1	Confident	86.5	Confident	30 Å²	30	72.3 Å²	72.3	14%	0.14	38%	0.383	C	S	.	.			trans	-78.5	139.1	173.8	-74.6	-73	178.9	0	0	111.2	R87 R189 I190 F348	R87-E351 IonicContact CZ-OE2 3.46Å; R87-E351 IonicContact NE-OE1 3.83Å; R87-E351 IonicContact NE-OE2 3.46Å; R87-E351 PolarHBondContact NE-OE2 2.95Å; R87-E351 IonicContact NH2-OE2 2.98Å; R87-E351 PolarHBondContact NH2-OE2 3.04Å; R189-E351 WeakPolarHBondContact CA-OE1 3.34Å; R189-E351 VanDerWaalsContact CD-CD 3.49Å; R189-E351 WeakPolarHBondContact CD-OE1 3.48Å; R189-E351 WeakPolarHBondContact CD-OE2 3.18Å; R189-E351 IonicContact NE-OE2 3.54Å; I190-E351 HydrophobicContact CB-CG 4.33Å; I190-E351 HydrophobicContact CD1-CG 4.01Å; I190-E351 HydrophobicContact CG1-CG 4.16Å; I190-E351 PolarHBondContact N-OE1 3.23Å; F348-E351 HydrophobicContact CD2-CG 4.47Å; F348-E351 WeakPolarHBondContact O-CB 3.41Å; F348-E351 PolarHBondContact O-N 3.09Å
352	L	71.3	Confident	86.4	Confident	40 Å²	40	71.9 Å²	71.9	21%	0.209	38%	0.375	C	S	.	.			trans	-126.1	41.6	-169.9	-58.9	172	0	0	0	111.6	Q83 L86 D354 L355 L360 L363	Q83-L352 PolarHBondContact NE2-O 2.74Å; L86-L352 HydrophobicContact CD2-CD1 3.35Å; L86-L352 HydrophobicContact CG-CD1 4.22Å; L352-D354 VanDerWaalsContact C-N 3.29Å; L352-D354 PolarHBondContact O-N 3.2Å; L352-L355 HydrophobicContact CB-CD1 4.04Å; L352-L355 HydrophobicContact CB-CG 4.41Å; L352-L355 HydrophobicContact CD1-CD1 4.49Å; L352-L355 HydrophobicContact CD2-CD1 3.71Å; L352-L355 HydrophobicContact CG-CD1 4.29Å; L352-L360 HydrophobicContact CB-CD2 4.31Å; L352-L363 HydrophobicContact CD1-CD1 3.79Å
353	D	72.3	Confident	86.4	Confident	44 Å²	44	72.3 Å²	72.3	24%	0.235	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.6	-169	-80.4	-23.5	0	0	0	114.2	Q83 R87 R189 H197	Q83-D353 VanDerWaalsContact NE2-C 3.26Å; Q83-D353 PolarHBondContact NE2-O 3.47Å; R87-D353 IonicContact NH2-OD1 2.67Å; R87-D353 PolarHBondContact NH2-OD1 3.43Å; R87-D353 VanDerWaalsContact NH2-OD1 3.15Å; R189-D353 IonicContact CZ-OD1 2.72Å; R189-D353 IonicContact NE-OD1 3.7Å; R189-D353 PolarHBondContact NE-OD1 2.76Å; R189-D353 IonicContact NE-OD2 3.43Å; R189-D353 IonicContact NH2-OD1 3.92Å; R189-D353 PolarHBondContact NH2-OD1 3.32Å; R189-D353 IonicContact NH2-OD2 2.79Å; H197-D353 IonicContact CE1-OD2 3.98Å; H197-D353 PolarHBondContact CE1-OD2 2.95Å; H197-D353 IonicContact ND1-OD2 3.41Å; H197-D353 PolarHBondContact ND1-OD2 2.54Å
354	D	80.3	Confident	86.5	Confident	156 Å²	156	63 Å²	63	83%	0.834	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	13	-174.4	-64.3	-45.2	0	0	0	115.1	L352	L352-D354 VanDerWaalsContact C-N 3.29Å; L352-D354 PolarHBondContact O-N 3.2Å
355	L	87.6	Confident	86.8	Confident	50 Å²	50	59.1 Å²	59.1	26%	0.262	31%	0.313	S	S	.	.			trans	-84.2	140.6	-179.3	-65.3	-172.5	0	0	0	113.1	Q79 L352 R359 L360 L363	Q79-L355 PolarHBondContact NE2-O 3.18Å; L352-L355 HydrophobicContact CB-CD1 4.04Å; L352-L355 HydrophobicContact CB-CG 4.41Å; L352-L355 HydrophobicContact CD1-CD1 4.49Å; L352-L355 HydrophobicContact CD2-CD1 3.71Å; L352-L355 HydrophobicContact CG-CD1 4.29Å; L355-R359 HydrophobicContact CD1-CG 4.02Å; L355-R359 HydrophobicContact CD2-CG 4.39Å; L355-L360 HydrophobicContact CB-CD2 3.97Å; L355-L360 HydrophobicContact CB-CG 3.94Å; L355-L360 HydrophobicContact CD1-CD2 4.33Å; L355-L360 WeakPolarHBondContact O-CD1 3.4Å; L355-L363 HydrophobicContact CD1-CD1 3.62Å
356	P	93.3	Very high	87	Confident	68 Å²	68	60.8 Å²	60.8	44%	0.442	31%	0.314	S	S	.	.			trans	-66.6	156.2	173.9	28.5	-34.2	0	0	0	111.5	E358 R359 L360	P356-E358 PolarHBondContact O-N 3.4Å; P356-R359 HydrophobicContact CG-CB 3.89Å; P356-R359 PolarHBondContact O-N 2.93Å; P356-R359 VanDerWaalsContact O-N 3.1Å; P356-L360 WeakPolarHBondContact O-CG 3.36Å; P356-L360 PolarHBondContact O-N 3.07Å
357	K	93.8	Very high	87.3	Confident	67 Å²	67	63.2 Å²	63.2	29%	0.291	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-32.7	-174.2	67.9	177.7	-177.4	170.3	0	113.3	E77 Q79 L360 K361	E77-K357 PolarHBondContact O-NZ 2.96Å; Q79-K357 HydrophobicContact CB-CB 4.28Å; K357-L360 PolarHBondContact O-N 3.29Å; K357-K361 WeakPolarHBondContact O-CB 3.47Å; K357-K361 PolarHBondContact O-N 3.02Å
358	E	95.1	Very high	87.9	Confident	109 Å²	109	59.5 Å²	59.5	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-45.8	177.4	-65	70.7	-155.6	0	0	110.3	P356 L360 K361 E362	P356-E358 PolarHBondContact O-N 3.4Å; E358-L360 PolarHBondContact O-N 3.09Å; E358-K361 WeakPolarHBondContact O-CB 3.41Å; E358-K361 PolarHBondContact O-N 3.49Å; E358-E362 PolarHBondContact O-N 3.41Å; E358-E362 VanDerWaalsContact O-N 3.09Å
359	R	95.6	Very high	89	Confident	96 Å²	96	57.3 Å²	57.3	36%	0.362	30%	0.301	S	S	.	.	H	α-helix	trans	-66.1	-39.7	176.6	-177.3	58.2	-176.1	155.7	5.1	111.7	L355 P356 K361 E362 L363	L355-R359 HydrophobicContact CD1-CG 4.02Å; L355-R359 HydrophobicContact CD2-CG 4.39Å; P356-R359 HydrophobicContact CG-CB 3.89Å; P356-R359 PolarHBondContact O-N 2.93Å; P356-R359 VanDerWaalsContact O-N 3.1Å; R359-K361 VanDerWaalsContact C-N 3.3Å; R359-K361 PolarHBondContact O-N 3.41Å; R359-E362 VanDerWaalsContact CD-OE2 3.26Å; R359-E362 WeakPolarHBondContact CD-OE2 3.48Å; R359-E362 IonicContact CZ-OE2 2.94Å; R359-E362 IonicContact NE-OE2 2.81Å; R359-E362 IonicContact NH1-OE2 3.65Å; R359-E362 PolarHBondContact NH1-OE2 3.31Å; R359-E362 WeakPolarHBondContact O-CB 3.03Å; R359-E362 PolarHBondContact O-N 3.29Å; R359-L363 WeakPolarHBondContact O-CG 3.36Å; R359-L363 PolarHBondContact O-N 3.3Å
360	L	95.4	Very high	90	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-36.9	175	-66.8	164.4	0	0	0	111.8	Q79 C82 Q83 L86 L352 L355 P356 K357 E358 L363 I364	Q79-L360 HydrophobicContact CG-CD1 3.98Å; C82-L360 HydrophobicContact CB-CB 3.61Å; C82-L360 HydrophobicContact CB-CD1 3.76Å; C82-L360 HydrophobicContact CB-CG 4.32Å; Q83-L360 HydrophobicContact CG-CD1 3.5Å; Q83-L360 VanDerWaalsContact CG-CD1 3.5Å; Q83-L360 HydrophobicContact CG-CD2 4.19Å; L86-L360 HydrophobicContact CD2-CD2 3.78Å; L352-L360 HydrophobicContact CB-CD2 4.31Å; L355-L360 HydrophobicContact CB-CD2 3.97Å; L355-L360 HydrophobicContact CB-CG 3.94Å; L355-L360 HydrophobicContact CD1-CD2 4.33Å; L355-L360 WeakPolarHBondContact O-CD1 3.4Å; P356-L360 WeakPolarHBondContact O-CG 3.36Å; P356-L360 PolarHBondContact O-N 3.07Å; K357-L360 PolarHBondContact O-N 3.29Å; E358-L360 PolarHBondContact O-N 3.09Å; L360-L363 PolarHBondContact O-N 3.4Å; L360-I364 VanDerWaalsContact O-CG1 3.3Å; L360-I364 WeakPolarHBondContact O-CG1 3.32Å; L360-I364 PolarHBondContact O-N 3.4Å
361	K	96.9	Very high	90.9	Very high	31 Å²	31	58.9 Å²	58.9	14%	0.135	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-43.5	174.1	-173.8	-179.6	-168.6	-167.1	0	111.7	F76 L112 M115 K357 E358 R359 I364 F365	F76-K361 HydrophobicContact CB-CD 4.38Å; F76-K361 HydrophobicContact CD1-CB 3.8Å; F76-K361 HydrophobicContact CD1-CD 3.92Å; F76-K361 HydrophobicContact CD1-CG 3.5Å; F76-K361 HydrophobicContact CE1-CB 4.07Å; F76-K361 HydrophobicContact CE1-CD 4.39Å; F76-K361 HydrophobicContact CE1-CG 3.61Å; F76-K361 HydrophobicContact CG-CD 4.02Å; F76-K361 HydrophobicContact CG-CG 4.11Å; F76-K361 HydrophobicContact CZ-CG 4.28Å; L112-K361 HydrophobicContact CD1-CD 4.22Å; L112-K361 HydrophobicContact CD1-CG 3.86Å; L112-K361 VanDerWaalsContact O-CE 3.27Å; L112-K361 WeakPolarHBondContact O-CE 3.3Å; L112-K361 PolarHBondContact O-NZ 2.82Å; M115-K361 HydrophobicContact CE-CD 4.35Å; M115-K361 HydrophobicContact CE-CG 3.53Å; M115-K361 WeakPolarHBondContact CE-O 3.25Å; M115-K361 WeakPolarHBondContact O-CE 3.27Å; M115-K361 PolarHBondContact O-NZ 2.94Å; K357-K361 WeakPolarHBondContact O-CB 3.47Å; K357-K361 PolarHBondContact O-N 3.02Å; E358-K361 WeakPolarHBondContact O-CB 3.41Å; E358-K361 PolarHBondContact O-N 3.49Å; R359-K361 VanDerWaalsContact C-N 3.3Å; R359-K361 PolarHBondContact O-N 3.41Å; K361-I364 PolarHBondContact O-N 3.38Å; K361-F365 WeakPolarHBondContact O-CB 3.46Å; K361-F365 PolarHBondContact O-N 3.21Å
362	E	96.6	Very high	91.7	Very high	73 Å²	73	59.2 Å²	59.2	34%	0.341	29%	0.286	S	S	.	.	H	α-helix	trans	-60.4	-44.9	174.8	-68.6	168	-173.6	0	0	111.8	L112 E358 R359 F365 Q366	L112-E362 HydrophobicContact CD1-CG 4.47Å; L112-E362 HydrophobicContact CD2-CG 3.83Å; E358-E362 PolarHBondContact O-N 3.41Å; E358-E362 VanDerWaalsContact O-N 3.09Å; R359-E362 VanDerWaalsContact CD-OE2 3.26Å; R359-E362 WeakPolarHBondContact CD-OE2 3.48Å; R359-E362 IonicContact CZ-OE2 2.94Å; R359-E362 IonicContact NE-OE2 2.81Å; R359-E362 IonicContact NH1-OE2 3.65Å; R359-E362 PolarHBondContact NH1-OE2 3.31Å; R359-E362 WeakPolarHBondContact O-CB 3.03Å; R359-E362 PolarHBondContact O-N 3.29Å; E362-F365 WeakPolarHBondContact O-CB 3.41Å; E362-F365 PolarHBondContact O-N 2.9Å; E362-Q366 VanDerWaalsContact O-CG 3.32Å; E362-Q366 WeakPolarHBondContact O-CG 3.48Å; E362-Q366 PolarHBondContact O-N 3.28Å
363	L	95.9	Very high	92.2	Very high	24 Å²	24	63.5 Å²	63.5	13%	0.126	32%	0.316	C	S	.	.	H	α-helix	trans	-64.3	-42.2	178.2	-67.9	174.2	0	0	0	111.8	L86 L352 L355 R359 L360 F365 Q366 E367	L86-L363 HydrophobicContact CD1-CB 4.1Å; L86-L363 HydrophobicContact CD2-CB 3.63Å; L86-L363 HydrophobicContact CD2-CD1 3.88Å; L86-L363 HydrophobicContact CD2-CG 4.43Å; L352-L363 HydrophobicContact CD1-CD1 3.79Å; L355-L363 HydrophobicContact CD1-CD1 3.62Å; R359-L363 WeakPolarHBondContact O-CG 3.36Å; R359-L363 PolarHBondContact O-N 3.3Å; L360-L363 PolarHBondContact O-N 3.4Å; L363-F365 VanDerWaalsContact C-N 3.29Å; L363-F365 PolarHBondContact O-N 3.21Å; L363-Q366 PolarHBondContact O-N 2.75Å; L363-E367 WeakPolarHBondContact O-CG 3.49Å; L363-E367 PolarHBondContact O-N 2.97Å
364	I	96.4	Very high	92.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.6	-42.4	173	-68.7	165.1	0	0	0	110.4	F76 C82 T85 L86 I89 M115 V118 L360 K361 Q366 T368	F76-I364 HydrophobicContact CE1-CD1 3.86Å; F76-I364 HydrophobicContact CE1-CG2 4.4Å; F76-I364 HydrophobicContact CZ-CG2 4.35Å; C82-I364 HydrophobicContact CB-CD1 4.39Å; T85-I364 HydrophobicContact CG2-CD1 4.19Å; L86-I364 HydrophobicContact CB-CD1 4.2Å; L86-I364 HydrophobicContact CB-CG1 3.75Å; L86-I364 HydrophobicContact CD1-CG1 3.9Å; L86-I364 HydrophobicContact CG-CG1 4.32Å; I89-I364 HydrophobicContact CD1-CG2 4.28Å; M115-I364 HydrophobicContact CE-CG2 4.45Å; V118-I364 HydrophobicContact CG2-CG2 4.05Å; L360-I364 VanDerWaalsContact O-CG1 3.3Å; L360-I364 WeakPolarHBondContact O-CG1 3.32Å; L360-I364 PolarHBondContact O-N 3.4Å; K361-I364 PolarHBondContact O-N 3.38Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3.07Å; I364-T368 HydrophobicContact CG2-CG2 4.41Å; I364-T368 WeakPolarHBondContact O-CB 3.39Å; I364-T368 WeakPolarHBondContact O-CG2 3.45Å; I364-T368 PolarHBondContact O-N 3.04Å; I364-T368 VanDerWaalsContact O-N 3.15Å; I364-T368 PolarHBondContact O-OG1 3.39Å
365	F	96.6	Very high	91.3	Very high	47 Å²	47	60 Å²	60	21%	0.206	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-38.2	177.8	-173.4	-94.4	0	0	0	112.5	S110 T111 L112 M115 K361 E362 L363 T368 A369	S110-F365 WeakPolarHBondContact O-CZ 3.38Å; T111-F365 VanDerWaalsContact C-CE2 3.45Å; L112-F365 HydrophobicContact CB-CD2 4.35Å; L112-F365 HydrophobicContact CB-CE2 4.49Å; L112-F365 HydrophobicContact CB-CG 4.46Å; L112-F365 HydrophobicContact CD1-CB 3.71Å; L112-F365 HydrophobicContact CD1-CD2 4.25Å; L112-F365 HydrophobicContact CD1-CG 3.98Å; M115-F365 HydrophobicContact CE-CB 3.86Å; M115-F365 HydrophobicContact CE-CD2 4.16Å; M115-F365 HydrophobicContact SD-CB 4.4Å; M115-F365 HydrophobicContact SD-CD2 3.95Å; K361-F365 WeakPolarHBondContact O-CB 3.46Å; K361-F365 PolarHBondContact O-N 3.21Å; E362-F365 WeakPolarHBondContact O-CB 3.41Å; E362-F365 PolarHBondContact O-N 2.9Å; L363-F365 VanDerWaalsContact C-N 3.29Å; L363-F365 PolarHBondContact O-N 3.21Å; F365-T368 PolarHBondContact O-OG1 3.15Å; F365-A369 PolarHBondContact O-N 3.28Å
366	Q	95.6	Very high	89.4	Confident	109 Å²	109	65.6 Å²	65.6	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-68.7	-49.8	176.8	-71	172.5	3.1	0	0	112.2	E362 L363 I364 T368 A369	E362-Q366 VanDerWaalsContact O-CG 3.32Å; E362-Q366 WeakPolarHBondContact O-CG 3.48Å; E362-Q366 PolarHBondContact O-N 3.28Å; L363-Q366 PolarHBondContact O-N 2.75Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3.07Å; Q366-T368 PolarHBondContact O-N 3.13Å; Q366-A369 WeakPolarHBondContact O-CB 3.26Å; Q366-A369 PolarHBondContact O-N 2.72Å; Q366-A369 VanDerWaalsContact O-N 3.08Å
367	E	94.4	Very high	86.9	Confident	59 Å²	59	71.4 Å²	71.4	28%	0.276	37%	0.374	S	S	.	.	H	α-helix	trans	-60.2	-31.6	179.8	-73.3	-67.5	169.7	0	0	112.8	L86 I89 Q90 L363	L86-E367 HydrophobicContact CD1-CG 3.87Å; I89-E367 HydrophobicContact CG2-CB 4.15Å; Q90-E367 HydrophobicContact CG-CG 4.04Å; Q90-E367 PolarHBondContact NE2-OE1 2.81Å; L363-E367 WeakPolarHBondContact O-CG 3.49Å; L363-E367 PolarHBondContact O-N 2.97Å
368	T	96.1	Very high	83.9	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-4	-179.5	59	0	0	0	0	113.7	I89 I106 R108 I364 F365 Q366 R370 F371	I89-T368 HydrophobicContact CD1-CG2 4.2Å; I106-T368 HydrophobicContact CB-CG2 4.28Å; I106-T368 HydrophobicContact CD1-CG2 3.87Å; I106-T368 HydrophobicContact CG2-CG2 3.63Å; R108-T368 PolarHBondContact NE-OG1 2.73Å; I364-T368 HydrophobicContact CG2-CG2 4.41Å; I364-T368 WeakPolarHBondContact O-CB 3.39Å; I364-T368 WeakPolarHBondContact O-CG2 3.45Å; I364-T368 PolarHBondContact O-N 3.04Å; I364-T368 VanDerWaalsContact O-N 3.15Å; I364-T368 PolarHBondContact O-OG1 3.39Å; F365-T368 PolarHBondContact O-OG1 3.15Å; Q366-T368 PolarHBondContact O-N 3.13Å; T368-R370 VanDerWaalsContact C-N 3.3Å; T368-R370 PolarHBondContact O-N 3.33Å; T368-F371 PolarHBondContact O-N 3.36Å
369	A	94.7	Very high	81	Confident	41 Å²	41	76.9 Å²	76.9	34%	0.339	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-62.3	-35.1	-175	0	0	0	0	0	113.1	F365 Q366 F371 Q372	F365-A369 PolarHBondContact O-N 3.28Å; Q366-A369 WeakPolarHBondContact O-CB 3.26Å; Q366-A369 PolarHBondContact O-N 2.72Å; Q366-A369 VanDerWaalsContact O-N 3.08Å; A369-F371 PolarHBondContact O-N 2.81Å; A369-F371 VanDerWaalsContact O-N 3.13Å; A369-Q372 WeakPolarHBondContact O-CB 3.45Å; A369-Q372 PolarHBondContact O-N 3.46Å; A369-Q372 VanDerWaalsContact O-N 3.08Å
370	R	92.6	Very high	80.3	Confident	143 Å²	143	75.9 Å²	75.9	54%	0.54	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-64.6	-14	179.2	63	173.7	153.3	-177.4	-17	115	L93 T368	L93-R370 VanDerWaalsContact CB-NH2 3.28Å; T368-R370 VanDerWaalsContact C-N 3.3Å; T368-R370 PolarHBondContact O-N 3.33Å
371	F	93.4	Very high	79.5	Confident	48 Å²	48	79.8 Å²	79.8	21%	0.211	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-94.5	-4.1	177.6	-63.6	-78.6	0	0	0	112.9	L93 I103 I106 T368 A369	L93-F371 HydrophobicContact CD1-CE2 4.15Å; L93-F371 HydrophobicContact CD2-CE2 3.67Å; L93-F371 HydrophobicContact CD2-CZ 3.45Å; L93-F371 VanDerWaalsContact CD2-CZ 3.45Å; I103-F371 HydrophobicContact CG2-CZ 4.35Å; I106-F371 HydrophobicContact CB-CB 4.28Å; I106-F371 HydrophobicContact CB-CD2 3.9Å; I106-F371 HydrophobicContact CB-CE2 4.49Å; I106-F371 HydrophobicContact CB-CG 4.06Å; I106-F371 HydrophobicContact CD1-CD2 3.91Å; I106-F371 HydrophobicContact CD1-CE2 3.72Å; I106-F371 HydrophobicContact CD1-CZ 4.46Å; I106-F371 HydrophobicContact CG1-CD2 3.9Å; I106-F371 HydrophobicContact CG1-CE2 3.97Å; I106-F371 HydrophobicContact CG1-CG 4.31Å; I106-F371 HydrophobicContact CG1-CZ 4.43Å; I106-F371 WeakPolarHBondContact O-CB 3.4Å; T368-F371 PolarHBondContact O-N 3.36Å; A369-F371 PolarHBondContact O-N 2.81Å; A369-F371 VanDerWaalsContact O-N 3.13Å
372	Q	91.2	Very high	78.6	Confident	37 Å²	37	82.6 Å²	82.6	17%	0.173	48%	0.477	C	S	.	.	S	Bend	trans	-81.3	146.2	-176.9	-60.1	-53.8	-66.4	0	0	112.3	R108 A369 G374 A375	R108-Q372 VanDerWaalsContact NH1-OE1 3.12Å; A369-Q372 WeakPolarHBondContact O-CB 3.45Å; A369-Q372 PolarHBondContact O-N 3.46Å; A369-Q372 VanDerWaalsContact O-N 3.08Å; Q372-G374 PolarHBondContact O-N 3.45Å; Q372-A375 WeakPolarHBondContact O-CB 3.41Å; Q372-A375 PolarHBondContact O-N 3.1Å
373	P	81.9	Confident	77.5	Confident	131 Å²	131	83.1 Å²	83.1	85%	0.851	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	126.8	173	-24.4	33.3	0	0	0	111.5
374	G	71.9	Confident	76.3	Confident	81 Å²	81	86.8 Å²	86.8	84%	0.835	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-0.6	-179	0	0	0	0	0	115.4	Q372 L376	Q372-G374 PolarHBondContact O-N 3.45Å; G374-L376 PolarHBondContact O-N 3.22Å
375	A	62.7	Low	75	Confident	44 Å²	44	92.6 Å²	92.6	36%	0.364	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-65.6	123.8	163	0	0	0	0	0	108.9	Q372 E377	Q372-A375 WeakPolarHBondContact O-CB 3.41Å; Q372-A375 PolarHBondContact O-N 3.1Å; A375-E377 PolarHBondContact O-N 3.5Å
376	L	47.3	Very low	73.5	Confident	168 Å²	168	95.9 Å²	95.9	88%	0.88	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-58.6	128.2	169.5	-72.8	159.1	0	0	0	107.4	G374 A378	G374-L376 PolarHBondContact O-N 3.22Å; L376-A378 PolarHBondContact O-N 2.78Å
377	E	40.3	Very low	71.8	Confident	191 Å²	191	94.8 Å²	94.8	89%	0.893	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-53.6	116.8	166.2	-73.6	-177.4	160.5	0	0	106.7	A375	A375-E377 PolarHBondContact O-N 3.5Å
378	A	32.1	Very low	69.9	Low	90 Å²	90	97.8 Å²	97.8	74%	0.744	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-60.9	136	168.7	0	0	0	0	0	107.1	L376	L376-A378 PolarHBondContact O-N 2.78Å
379	P	34.3	Very low	67.5	Low	200 Å²	200	106.7 Å²	106.7	100%	1.299	65%	0.648	S	S	*	*			trans	-58.1	0	-173.4	23.5	-33.8	0	0	0	114

Retrieved 379 of 379 residues in 190.6 ms (Link to these results)

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