A0A087X303_POEFO Loading...

Adenosine deaminase

AlphaFold DB , UniProt , Accession A0A087X303, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 398 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	32	Very low	241 Å²	241	142.5 Å²	142.5	100%	1.187	75%	0.751	S	S	*	*				0	115.6	0	-144.9	165.9	172.1	0	0	106.8
2	H	30.4	Very low	31.7	Very low	165 Å²	165	148.6 Å²	148.6	76%	0.764	77%	0.767	S	S	*	*			trans	19.8	108.9	175.5	-68.9	-48.7	0	0	0	120
3	I	29.1	Very low	31.3	Very low	132 Å²	132	143 Å²	143	68%	0.677	77%	0.769	S	S	*	*				61.2	126.1	71.5	-45.8	171.2	0	0	0	109.7
4	I	33.3	Very low	31.3	Very low	156 Å²	156	141.4 Å²	141.4	80%	0.8	77%	0.774	S	S	*	*				175.3	150.9	75.2	-57.4	-102.9	0	0	0	105.1
5	A	33.7	Very low	32.2	Very low	64 Å²	64	139.4 Å²	139.4	53%	0.529	77%	0.771	S	S	.	*			cis	175.7	151.3	-21	0	0	0	0	0	108
6	R	32.9	Very low	31.9	Very low	205 Å²	205	139.6 Å²	139.6	77%	0.774	77%	0.769	S	S	*	*			trans	69	145.1	131.4	-76.5	175.3	-179.6	-158.6	1.9	118.2
7	R	33.1	Very low	31.8	Very low	181 Å²	181	141.4 Å²	141.4	68%	0.683	78%	0.776	S	S	*	*			cis	-171.3	132.7	24.1	-124.2	167.4	-177.3	-157.7	-1	107.8
8	T	32	Very low	31.6	Very low	124 Å²	124	141.7 Å²	141.7	76%	0.761	78%	0.776	S	S	*	*				64.9	143.1	106	63	0	0	0	0	115.6
9	A	32	Very low	31.5	Very low	74 Å²	74	140.8 Å²	140.8	61%	0.612	78%	0.781	S	S	*	*			cis	177.2	154.8	12.4	0	0	0	0	0	109.7
10	I	30.1	Very low	31.4	Very low	163 Å²	163	139.3 Å²	139.3	84%	0.836	78%	0.78	S	S	*	*			trans	59.4	134	136.6	-52.6	161.6	0	0	0	117.2
11	G	27.5	Very low	31.3	Very low	62 Å²	62	139.9 Å²	139.9	64%	0.639	79%	0.787	S	S	*	*			cis	138.5	150.6	14.6	0	0	0	0	0	109.7
12	F	28.8	Very low	30.9	Very low	216 Å²	216	139.1 Å²	139.1	95%	0.947	77%	0.771	S	S	*	*			trans	82.3	129.6	162.8	-71.5	-84.7	0	0	0	122.1
13	G	26.5	Very low	31	Very low	76 Å²	76	137.6 Å²	137.6	78%	0.784	77%	0.773	S	S	*	*			trans	148.8	102.5	147.8	0	0	0	0	0	116.5
14	S	31	Very low	30.9	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	78%	0.782	S	S	*	*			trans	-117.2	175	149.1	-59.7	0	0	0	0	106.9
15	P	44.9	Very low	30.8	Very low	111 Å²	111	139.3 Å²	139.3	72%	0.721	79%	0.786	S	S	*	*			cis	-145.6	-167.9	9.4	34.8	-9.3	0	0	0	116
16	L	27.6	Very low	31	Very low	142 Å²	142	141.5 Å²	141.5	74%	0.743	80%	0.795	S	S	*	*			trans	82.1	123.6	152.6	-73.8	156.3	0	0	0	121.4
17	L	29.7	Very low	30.8	Very low	170 Å²	170	137.8 Å²	137.8	89%	0.89	80%	0.795	S	S	*	*				-172.9	144	114.7	-101.6	149.4	0	0	0	113.8
18	L	28.3	Very low	30.7	Very low	148 Å²	148	135.8 Å²	135.8	78%	0.775	80%	0.798	S	S	*	*			trans	-73.5	156.8	-176.5	-70.9	83.5	0	0	0	113.9
19	S	28.9	Very low	30.5	Very low	125 Å²	125	135.5 Å²	135.5	87%	0.874	80%	0.799	S	S	*	*				-162.9	145.4	123.1	63.6	0	0	0	0	112.8
20	S	30.2	Very low	30.3	Very low	109 Å²	109	142.3 Å²	142.3	76%	0.762	81%	0.809	S	S	*	*			trans	-111	139.3	178.2	57.7	0	0	0	0	110.4
21	V	29.3	Very low	30.2	Very low	152 Å²	152	138.4 Å²	138.4	92%	0.921	81%	0.81	S	S	*	*			trans	-149.9	138.6	150.1	-178.1	0	0	0	0	110.1
22	R	30.3	Very low	30.3	Very low	225 Å²	225	142.9 Å²	142.9	85%	0.849	82%	0.818	S	S	*	*			trans	-96.3	152.9	178.8	-104.8	-178.9	-179.1	-172.2	0.8	112.2
23	T	32.6	Very low	30.3	Very low	133 Å²	133	138 Å²	138	82%	0.816	81%	0.808	S	S	*	*			trans	72.2	114.9	149	56.1	0	0	0	0	122.1
24	S	27.3	Very low	30.7	Very low	123 Å²	123	142.3 Å²	142.3	86%	0.86	81%	0.811	S	S	*	*				-169.3	136.3	118.4	46.7	0	0	0	0	111.6
25	K	29.3	Very low	30.7	Very low	202 Å²	202	145 Å²	145	88%	0.878	81%	0.813	S	S	*	*			trans	-91.8	170.6	157	-83.1	-173.2	177.7	-177	0	107.6
26	P	38.1	Very low	30.2	Very low	110 Å²	110	143.8 Å²	143.8	71%	0.714	81%	0.812	S	S	*	*			cis	-127.8	173	8.8	28.9	-4.1	0	0	0	112.1
27	T	28.4	Very low	30.5	Very low	127 Å²	127	146.4 Å²	146.4	78%	0.779	82%	0.82	S	S	*	*				-174.6	135.5	75.6	41.4	0	0	0	0	111.4
28	D	31.8	Very low	30.9	Very low	139 Å²	139	149.7 Å²	149.7	74%	0.743	82%	0.821	S	S	*	*			trans	34.8	112.9	137.4	-161.9	12.7	0	0	0	120.7	R30	D28-R30 PolarHBondContact OD1-N 3.3Å
29	C	27	Very low	31.2	Very low	118 Å²	118	147 Å²	147	80%	0.797	81%	0.814	S	S	*	*			trans	-152.2	93.5	138.3	-102.1	0	0	0	0	109.5
30	R	28.8	Very low	31.8	Very low	216 Å²	216	146.1 Å²	146.1	82%	0.815	81%	0.805	S	S	*	*			trans	48.6	92.5	142.3	-55.7	-178.5	-155	-172.9	5.7	117.1	D28 L32	D28-R30 PolarHBondContact OD1-N 3.3Å; R30-L32 PolarHBondContact O-N 3.5Å
31	G	27.2	Very low	32.9	Very low	82 Å²	82	147.2 Å²	147.2	85%	0.845	80%	0.798	S	S	*	*			trans	-68.1	110	154.6	0	0	0	0	0	110
32	L	29.6	Very low	34.1	Very low	156 Å²	156	144.5 Å²	144.5	82%	0.817	79%	0.786	S	S	*	*			trans	-61	136.5	159.7	-81.7	141.7	0	0	0	108.3	R30 I34	R30-L32 PolarHBondContact O-N 3.5Å; L32-I34 PolarHBondContact O-N 2.89Å
33	P	30	Very low	36.4	Very low	112 Å²	112	137.5 Å²	137.5	73%	0.727	76%	0.763	S	S	*	*			trans	-65.3	125.9	177.6	26.7	-30.3	0	0	0	108.5	M35	P33-M35 PolarHBondContact O-N 2.95Å
34	I	33.9	Very low	39.3	Very low	167 Å²	167	133.3 Å²	133.3	86%	0.856	74%	0.737	S	S	*	*			trans	-51.9	109	166.8	-63.8	169	0	0	0	106.1	L32 A36	L32-I34 PolarHBondContact O-N 2.89Å; I34-A36 PolarHBondContact O-N 3.32Å; I34-A36 VanDerWaalsContact O-N 3.1Å
35	M	31.7	Very low	42.6	Very low	179 Å²	179	127.7 Å²	127.7	88%	0.882	70%	0.697	S	S	*	*			trans	-60.1	116	171.3	-76.4	-164.6	171.5	0	0	106.9	P33 E37	P33-M35 PolarHBondContact O-N 2.95Å; M35-E37 PolarHBondContact O-N 3.43Å
36	A	33.8	Very low	45.8	Very low	85 Å²	85	124 Å²	124	70%	0.702	69%	0.687	S	S	*	*			trans	-49.9	127.5	171.2	0	0	0	0	0	109	I34 R38	I34-A36 PolarHBondContact O-N 3.32Å; I34-A36 VanDerWaalsContact O-N 3.1Å; A36-R38 PolarHBondContact O-N 3.13Å
37	E	33.9	Very low	48.7	Very low	196 Å²	196	121.8 Å²	121.8	92%	0.916	67%	0.666	S	S	*	*			trans	-50.2	105.3	170.1	-71.7	172.7	155.4	0	0	108.4	M35 S39	M35-E37 PolarHBondContact O-N 3.43Å; E37-S39 PolarHBondContact O-N 3.33Å
38	R	37.5	Very low	52	Low	240 Å²	240	117.4 Å²	117.4	91%	0.906	64%	0.64	S	S	*	*			trans	-68.9	122.4	170.1	-77.2	-176.8	175.4	-175.5	-2.1	107	A36	A36-R38 PolarHBondContact O-N 3.13Å
39	S	35.6	Very low	55.2	Low	91 Å²	91	110.8 Å²	110.8	64%	0.636	61%	0.605	S	S	*	*			trans	-39.5	130	167.6	179.6	0	0	0	0	110.6	E37 H41	E37-S39 PolarHBondContact O-N 3.33Å; S39-H41 PolarHBondContact O-N 3.5Å
40	P	42.3	Very low	58.6	Low	106 Å²	106	105.2 Å²	105.2	69%	0.688	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	109.9	175.4	27.5	-30.6	0	0	0	107.7
41	H	51.8	Low	62	Low	132 Å²	132	94.9 Å²	94.9	61%	0.611	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	73	173.6	-41.1	-69.5	0	0	0	116.2	S39 E43	S39-H41 PolarHBondContact O-N 3.5Å; H41-E43 PolarHBondContact O-N 2.91Å
42	S	55.2	Low	65.4	Low	96 Å²	96	91 Å²	91	67%	0.671	49%	0.488	S	S	*	.			trans	-62	119.2	147.1	59.9	0	0	0	0	107.6	V44	S42-V44 PolarHBondContact O-N 3.38Å
43	E	78.6	Confident	68.7	Low	78 Å²	78	83.6 Å²	83.6	36%	0.364	45%	0.449	S	S	.	.			trans	-54.5	113.1	179.9	-169.5	-177.8	174.9	0	0	110.1	H41 F45 N46 K49	H41-E43 PolarHBondContact O-N 2.91Å; E43-F45 PolarHBondContact O-N 3.41Å; E43-N46 HydrophobicContact CB-CB 4.22Å; E43-N46 HydrophobicContact CG-CB 4.11Å; E43-N46 WeakPolarHBondContact OE2-CB 3.25Å; E43-N46 PolarHBondContact OE2-OD1 2.8Å; E43-K49 IonicContact OE1-NZ 2.68Å; E43-K49 PolarHBondContact OE1-NZ 3.23Å
44	V	93.6	Very high	72	Confident	45 Å²	45	78.2 Å²	78.2	27%	0.273	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.6	-171.2	177.6	0	0	0	0	111.9	S42 H351 F361	S42-V44 PolarHBondContact O-N 3.38Å; V44-H351 HydrophobicContact CG1-CB 3.59Å; V44-H351 VanDerWaalsContact CG1-CD2 3.4Å; V44-H351 WeakPolarHBondContact CG1-CD2 3.48Å; V44-F361 HydrophobicContact CG1-CE2 3.93Å
45	F	96.9	Very high	75.1	Confident	4 Å²	4	71.1 Å²	71.1	2%	0.018	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	77.6	177.7	-171.9	-111.4	0	0	0	110.5	E43 K47 K49 Y347 E358 F361 K362 Y390	E43-F45 PolarHBondContact O-N 3.41Å; F45-K47 HydrophobicContact CD1-CB 4.39Å; F45-K47 HydrophobicContact CE1-CB 3.91Å; F45-K47 HydrophobicContact CE2-CB 4.06Å; F45-K47 HydrophobicContact CE2-CD 3.82Å; F45-K47 HydrophobicContact CE2-CG 4.22Å; F45-K47 HydrophobicContact CZ-CB 3.74Å; F45-K47 HydrophobicContact CZ-CD 4.13Å; F45-K47 HydrophobicContact CZ-CG 4.38Å; F45-K47 PolarHBondContact O-N 3.18Å; F45-K49 HydrophobicContact CD1-CG 4.08Å; F45-K49 HydrophobicContact CE1-CG 4.22Å; F45-K49 WeakPolarHBondContact O-CE 3.47Å; F45-K49 PolarHBondContact O-NZ 3.42Å; F45-Y347 HydrophobicContact CB-CD1 3.67Å; F45-Y347 HydrophobicContact CB-CE1 4.18Å; F45-Y347 AromaticContact CD1-CD1 3.89Å; F45-Y347 HydrophobicContact CD1-CD1 3.89Å; F45-Y347 AromaticContact CD1-CE1 3.47Å; F45-Y347 HydrophobicContact CD1-CE1 3.47Å; F45-Y347 VanDerWaalsContact CD1-CE1 3.47Å; F45-Y347 HydrophobicContact CE1-CE1 4.12Å; F45-Y347 HydrophobicContact CG-CD1 4.05Å; F45-Y347 HydrophobicContact CG-CE1 4.04Å; F45-E358 HydrophobicContact CD2-CG 4.04Å; F45-E358 HydrophobicContact CE2-CG 3.94Å; F45-F361 HydrophobicContact CB-CD2 3.8Å; F45-F361 HydrophobicContact CB-CE2 4.26Å; F45-F361 HydrophobicContact CB-CG 4.26Å; F45-F361 HydrophobicContact CD1-CB 4.05Å; F45-F361 HydrophobicContact CD2-CB 3.51Å; F45-F361 AromaticContact CD2-CD2 3.8Å; F45-F361 HydrophobicContact CD2-CD2 3.8Å; F45-F361 HydrophobicContact CD2-CG 4.02Å; F45-F361 HydrophobicContact CE1-CB 4.05Å; F45-F361 HydrophobicContact CE2-CB 3.51Å; F45-F361 HydrophobicContact CE2-CG 4.49Å; F45-F361 HydrophobicContact CG-CB 3.78Å; F45-F361 AromaticContact CG-CD2 3.92Å; F45-F361 HydrophobicContact CG-CD2 3.92Å; F45-F361 HydrophobicContact CG-CG 4.03Å; F45-F361 HydrophobicContact CZ-CB 3.78Å; F45-K362 HydrophobicContact CE2-CG 4.16Å; F45-K362 HydrophobicContact CZ-CG 4.26Å; F45-Y390 HydrophobicContact CE1-CE1 4.46Å; F45-Y390 AromaticContact CZ-CE1 3.86Å; F45-Y390 HydrophobicContact CZ-CE1 3.86Å; F45-Y390 AromaticContact CZ-CZ 3.86Å
46	N	96.3	Very high	78.3	Confident	125 Å²	125	62.7 Å²	62.7	67%	0.668	34%	0.336	S	S	*	.			trans	-82.7	65.1	176.3	-169.9	3.6	0	0	0	111.7	E43	E43-N46 HydrophobicContact CB-CB 4.22Å; E43-N46 HydrophobicContact CG-CB 4.11Å; E43-N46 WeakPolarHBondContact OE2-CB 3.25Å; E43-N46 PolarHBondContact OE2-OD1 2.8Å
47	K	98.1	Very high	81.3	Confident	64 Å²	64	59 Å²	59	28%	0.278	30%	0.304	S	S	.	.	S	Bend	trans	-140.1	167.3	175	-63	-174.1	179.2	-65.7	0	109.2	F45 K49 E358 Y390	F45-K47 HydrophobicContact CD1-CB 4.39Å; F45-K47 HydrophobicContact CE1-CB 3.91Å; F45-K47 HydrophobicContact CE2-CB 4.06Å; F45-K47 HydrophobicContact CE2-CD 3.82Å; F45-K47 HydrophobicContact CE2-CG 4.22Å; F45-K47 HydrophobicContact CZ-CB 3.74Å; F45-K47 HydrophobicContact CZ-CD 4.13Å; F45-K47 HydrophobicContact CZ-CG 4.38Å; F45-K47 PolarHBondContact O-N 3.18Å; K47-K49 WeakPolarHBondContact O-CG 3.36Å; K47-K49 PolarHBondContact O-NZ 2.9Å; K47-E358 WeakPolarHBondContact CE-OE1 3.29Å; K47-Y390 HydrophobicContact CB-CD1 4.25Å; K47-Y390 HydrophobicContact CB-CE1 3.78Å; K47-Y390 HydrophobicContact CD-CD1 3.89Å; K47-Y390 HydrophobicContact CD-CE1 4.18Å
48	P	98.7	Very high	84.4	Confident	34 Å²	34	49.7 Å²	49.7	22%	0.221	26%	0.261	C	S	.	.			trans	-53.3	139.1	176.3	-32.3	40	0	0	0	113.3	G132 I134 L386 A389 Y390	P48-G132 CarbonylContact C-O 3.45Å; P48-G132 WeakPolarHBondContact CA-O 3.42Å; P48-I134 HydrophobicContact CB-CD1 3.83Å; P48-I134 HydrophobicContact CB-CG1 4Å; P48-I134 HydrophobicContact CB-CG2 3.75Å; P48-I134 HydrophobicContact CG-CG2 4.3Å; P48-L386 HydrophobicContact CB-CD2 4.05Å; P48-A389 HydrophobicContact CG-CB 3.63Å; P48-Y390 PolarHBondContact O-OH 3.07Å
49	K	98.8	Very high	87.3	Confident	1 Å²	1	39 Å²	39	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	159.5	-177.7	-54.5	171.9	-165.7	67.3	0	111	E43 F45 K47 E131 G132 V133 I134 L343 Y347 N365	E43-K49 IonicContact OE1-NZ 2.68Å; E43-K49 PolarHBondContact OE1-NZ 3.23Å; F45-K49 HydrophobicContact CD1-CG 4.08Å; F45-K49 HydrophobicContact CE1-CG 4.22Å; F45-K49 WeakPolarHBondContact O-CE 3.47Å; F45-K49 PolarHBondContact O-NZ 3.42Å; K47-K49 WeakPolarHBondContact O-CG 3.36Å; K47-K49 PolarHBondContact O-NZ 2.9Å; K49-E131 PolarHBondContact NZ-O 3.5Å; K49-G132 PolarHBondContact N-O 3.35Å; K49-V133 HydrophobicContact CB-CG2 4.44Å; K49-V133 CarbonylContact O-C 3.53Å; K49-V133 WeakPolarHBondContact O-CA 3.37Å; K49-I134 PolarHBondContact O-N 2.95Å; K49-L343 HydrophobicContact CB-CD2 3.9Å; K49-L343 HydrophobicContact CD-CD2 3.85Å; K49-L343 HydrophobicContact CD-CG 4.3Å; K49-L343 HydrophobicContact CG-CD2 4.48Å; K49-Y347 HydrophobicContact CD-CE1 4.43Å; K49-Y347 HydrophobicContact CD-CE2 4.14Å; K49-N365 WeakPolarHBondContact CA-OD1 3.26Å
50	I	98.9	Very high	90.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.7	175.8	-50.7	-63.8	0	0	0	108.3	L52 I134 Y135 N365 A369 L382 L386	I50-L52 HydrophobicContact CG2-CD2 3.86Å; I50-L52 HydrophobicContact CG2-CG 4.19Å; I50-I134 HydrophobicContact CD1-CD1 4.3Å; I50-I134 HydrophobicContact CD1-CG1 3.83Å; I50-Y135 WeakPolarHBondContact CA-O 3.37Å; I50-Y135 HydrophobicContact CG2-CD1 3.8Å; I50-N365 HydrophobicContact CG1-CB 4.32Å; I50-N365 PolarHBondContact N-OD1 3.33Å; I50-A369 HydrophobicContact CG1-CB 4.46Å; I50-L382 HydrophobicContact CD1-CD1 3.74Å; I50-L382 HydrophobicContact CD1-CD2 4.02Å; I50-L382 HydrophobicContact CD1-CG 4.11Å; I50-L386 HydrophobicContact CD1-CD1 4.15Å; I50-L386 HydrophobicContact CD1-CD2 4.32Å; I50-L386 HydrophobicContact CG1-CD1 4Å; I50-L386 HydrophobicContact CG1-CD2 4.44Å
51	E	98.9	Very high	93	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.2	177.5	-173	168.8	-136.6	0	0	110.5	V54 K128 V133 Y135 V136 E137 N332 T333 L343	E51-V54 HydrophobicContact CG-CB 4.3Å; E51-V54 HydrophobicContact CG-CG1 4.02Å; E51-K128 VanDerWaalsContact CD-NZ 3.35Å; E51-K128 IonicContact OE1-NZ 3.17Å; E51-K128 PolarHBondContact OE1-NZ 2.82Å; E51-K128 VanDerWaalsContact OE2-CD 3.25Å; E51-K128 WeakPolarHBondContact OE2-CD 3.44Å; E51-K128 WeakPolarHBondContact OE2-CE 3.41Å; E51-K128 IonicContact OE2-NZ 2.67Å; E51-K128 PolarHBondContact OE2-NZ 2.91Å; E51-V133 HydrophobicContact CB-CG1 4.41Å; E51-Y135 PolarHBondContact N-O 3.33Å; E51-Y135 VanDerWaalsContact N-O 3.11Å; E51-V136 HydrophobicContact CB-CG2 4.16Å; E51-V136 CarbonylContact O-C 3.58Å; E51-V136 VanDerWaalsContact O-CA 3.26Å; E51-V136 WeakPolarHBondContact O-CA 3.48Å; E51-E137 PolarHBondContact O-N 2.85Å; E51-N332 HydrophobicContact CG-CB 4.08Å; E51-T333 WeakPolarHBondContact OE1-CB 3.45Å; E51-T333 VanDerWaalsContact OE1-CG2 3.31Å; E51-T333 WeakPolarHBondContact OE1-CG2 3.12Å; E51-T333 PolarHBondContact OE1-N 3.49Å; E51-T333 PolarHBondContact OE1-OG1 3.49Å; E51-L343 HydrophobicContact CB-CD2 4.33Å
52	L	98.9	Very high	95.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-7.4	-172.9	-58.8	-179.3	0	0	0	112.9	I50 Y135 E137 R139 N332	I50-L52 HydrophobicContact CG2-CD2 3.86Å; I50-L52 HydrophobicContact CG2-CG 4.19Å; L52-Y135 HydrophobicContact CD2-CD1 4.29Å; L52-Y135 HydrophobicContact CD2-CE1 3.88Å; L52-E137 HydrophobicContact CD2-CB 4.49Å; L52-E137 HydrophobicContact CD2-CG 4.15Å; L52-R139 PolarHBondContact O-NH2 3.43Å; L52-N332 PolarHBondContact N-OD1 2.97Å
53	H	98.9	Very high	97.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	87.9	-174.5	-166.6	120.5	0	0	0	112	R139 H252 H276 E298 N332 D334	H53-R139 PolarHBondContact CE1-NH1 2.95Å; H53-R139 VanDerWaalsContact CE1-NH1 3.28Å; H53-R139 VanDerWaalsContact ND1-CZ 3.28Å; H53-R139 PolarHBondContact ND1-NH1 2.87Å; H53-R139 VanDerWaalsContact ND1-NH1 3.17Å; H53-R139 PolarHBondContact ND1-NH2 3.46Å; H53-H252 AromaticContact CE1-CD2 3.82Å; H53-H252 AromaticContact CE1-CE1 3.39Å; H53-H252 PolarHBondContact CE1-CE1 3.11Å; H53-H252 AromaticContact CE1-NE2 3.24Å; H53-H252 PolarHBondContact CE1-NE2 3.22Å; H53-H252 AromaticContact NE2-CE1 3.67Å; H53-H252 AromaticContact NE2-NE2 3.22Å; H53-H252 PolarHBondContact NE2-NE2 2.86Å; H53-H276 AromaticContact CE1-CE1 3.98Å; H53-H276 AromaticContact CE1-NE2 3.79Å; H53-H276 AromaticContact NE2-CE1 3.62Å; H53-H276 AromaticContact NE2-NE2 3.66Å; H53-E298 HydrophobicContact CB-CB 3.73Å; H53-E298 HydrophobicContact CB-CG 4.39Å; H53-E298 IonicContact CE1-OE2 3.33Å; H53-E298 IonicContact CG-OE2 3.13Å; H53-E298 IonicContact ND1-OE2 2.72Å; H53-E298 PolarHBondContact ND1-OE2 3.08Å; H53-N332 HydrophobicContact CB-CB 3.74Å; H53-N332 PolarHBondContact N-OD1 3.01Å; H53-N332 VanDerWaalsContact N-OD1 3.09Å; H53-N332 WeakPolarHBondContact O-CB 3.42Å; H53-D334 IonicContact CD2-OD1 3.76Å; H53-D334 PolarHBondContact CD2-OD1 3.21Å; H53-D334 VanDerWaalsContact CD2-OD1 3.26Å; H53-D334 IonicContact NE2-OD1 3.7Å; H53-D334 PolarHBondContact NE2-OD1 2.72Å; H53-D334 WeakPolarHBondContact O-CA 3.36Å; H53-D334 PolarHBondContact O-N 3.35Å; H53-D334 VanDerWaalsContact O-N 3.12Å
54	V	98.9	Very high	98	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	132.2	176.8	54.8	0	0	0	0	109.5	E51 A59 F124 V136 V138 R139 T333 D334 P336	E51-V54 HydrophobicContact CG-CB 4.3Å; E51-V54 HydrophobicContact CG-CG1 4.02Å; V54-A59 HydrophobicContact CG2-CB 4.35Å; V54-F124 HydrophobicContact CG1-CE2 3.98Å; V54-F124 HydrophobicContact CG1-CZ 3.62Å; V54-F124 HydrophobicContact CG2-CE2 3.75Å; V54-F124 HydrophobicContact CG2-CZ 4.29Å; V54-V136 HydrophobicContact CG1-CG2 3.67Å; V54-V138 HydrophobicContact CG1-CG2 4.41Å; V54-V138 WeakPolarHBondContact O-CA 3.16Å; V54-V138 WeakPolarHBondContact O-CG2 3.48Å; V54-R139 WeakPolarHBondContact O-CG 3.43Å; V54-R139 PolarHBondContact O-N 3.18Å; V54-T333 WeakPolarHBondContact CG2-OG1 3.37Å; V54-D334 CarbonylContact C-O 3.59Å; V54-D334 VanDerWaalsContact CA-O 3.3Å; V54-D334 WeakPolarHBondContact CA-O 3.39Å; V54-D334 WeakPolarHBondContact CG2-O 3.29Å; V54-P336 HydrophobicContact CG2-CG 4.32Å
55	H	98.9	Very high	98.2	Very high	18 Å²	18	22 Å²	22	8%	0.083	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.2	-179.5	-80.3	-98.4	0	0	0	110.7	D57 G58 A59 R139 H252 D334 D335	H55-D57 IonicContact ND1-OD1 3.67Å; H55-G58 CarbonylContact O-C 3.57Å; H55-G58 PolarHBondContact O-N 2.97Å; H55-A59 WeakPolarHBondContact O-CB 3.47Å; H55-A59 PolarHBondContact O-N 2.97Å; H55-A59 VanDerWaalsContact O-N 3.11Å; H55-R139 CarbonylContact C-O 3.59Å; H55-R139 VanDerWaalsContact CA-O 3.31Å; H55-R139 WeakPolarHBondContact CA-O 3.32Å; H55-R139 VanDerWaalsContact NE2-CD 3.32Å; H55-R139 WeakPolarHBondContact NE2-CD 3.49Å; H55-H252 AromaticContact NE2-CE1 3.53Å; H55-H252 AromaticContact NE2-NE2 3.43Å; H55-H252 PolarHBondContact NE2-NE2 3.16Å; H55-D334 IonicContact CD2-OD1 3.44Å; H55-D334 PolarHBondContact CD2-OD1 3.04Å; H55-D334 VanDerWaalsContact CD2-OD1 3.31Å; H55-D334 PolarHBondContact N-O 3.19Å; H55-D334 IonicContact NE2-OD1 2.71Å; H55-D335 WeakPolarHBondContact CB-OD1 3.3Å; H55-D335 IonicContact CG-OD1 3.8Å
56	L	98.9	Very high	98.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.117	C	C	.	.	S	Bend	trans	-64.8	-46.2	179	179.8	59.7	0	0	0	110.8	G58 A59 I60 I120 A121 F124 V138 R139 Y140 V172	L56-G58 PolarHBondContact O-N 3.33Å; L56-A59 PolarHBondContact O-N 2.89Å; L56-A59 VanDerWaalsContact O-N 3.11Å; L56-I60 WeakPolarHBondContact O-CG1 3.4Å; L56-I120 HydrophobicContact CD1-CG1 4.46Å; L56-I120 HydrophobicContact CD2-CD1 4.22Å; L56-I120 HydrophobicContact CD2-CG1 4.4Å; L56-I120 HydrophobicContact CG-CD1 4.04Å; L56-I120 HydrophobicContact CG-CG1 4.38Å; L56-A121 HydrophobicContact CD2-CB 4.33Å; L56-F124 HydrophobicContact CD1-CB 3.71Å; L56-F124 HydrophobicContact CD1-CD2 4.26Å; L56-F124 HydrophobicContact CD1-CG 3.92Å; L56-V138 HydrophobicContact CB-CG2 3.58Å; L56-V138 HydrophobicContact CD1-CG2 4.3Å; L56-V138 HydrophobicContact CG-CG2 4.49Å; L56-R139 PolarHBondContact N-O 2.82Å; L56-Y140 HydrophobicContact CB-CD1 4.4Å; L56-Y140 HydrophobicContact CD2-CD1 4.26Å; L56-Y140 HydrophobicContact CD2-CG 4.48Å; L56-V172 HydrophobicContact CD2-CG1 3.79Å; L56-V172 HydrophobicContact CD2-CG2 3.92Å
57	D	98.4	Very high	98.1	Very high	9 Å²	9	19.9 Å²	19.9	5%	0.048	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-63.8	-31.9	175.2	41.7	0.1	0	0	0	111.7	H55 A59 F103 Y106 M107	H55-D57 IonicContact ND1-OD1 3.67Å; D57-A59 VanDerWaalsContact C-N 3.32Å; D57-A59 PolarHBondContact O-N 2.9Å; D57-F103 HydrophobicContact CB-CD1 4.42Å; D57-F103 HydrophobicContact CB-CE1 4.03Å; D57-Y106 VanDerWaalsContact O-CE2 3.27Å; D57-Y106 WeakPolarHBondContact O-CE2 3.41Å; D57-Y106 PolarHBondContact O-OH 2.95Å; D57-M107 HydrophobicContact CB-CE 3.66Å; D57-M107 HydrophobicContact CB-SD 3.65Å
58	G	98.6	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-78.8	0.8	170.9	0	0	0	0	0	116.4	H55 L56 D335 P336 L337	H55-G58 CarbonylContact O-C 3.57Å; H55-G58 PolarHBondContact O-N 2.97Å; L56-G58 PolarHBondContact O-N 3.33Å; G58-D335 VanDerWaalsContact CA-OD1 3.26Å; G58-D335 WeakPolarHBondContact CA-OD1 3.47Å; G58-D335 CarbonylContact O-C 3.57Å; G58-D335 WeakPolarHBondContact O-CA 3.22Å; G58-P336 WeakPolarHBondContact O-CD 3.19Å; G58-L337 WeakPolarHBondContact O-CB 3.19Å; G58-L337 PolarHBondContact O-N 3.41Å
59	A	98.7	Very high	98	Very high	15 Å²	15	15.5 Å²	15.5	12%	0.124	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-126.7	21.7	-173.3	0	0	0	0	0	113.9	V54 H55 L56 D57 F124 P336	V54-A59 HydrophobicContact CG2-CB 4.35Å; H55-A59 WeakPolarHBondContact O-CB 3.47Å; H55-A59 PolarHBondContact O-N 2.97Å; H55-A59 VanDerWaalsContact O-N 3.11Å; L56-A59 PolarHBondContact O-N 2.89Å; L56-A59 VanDerWaalsContact O-N 3.11Å; D57-A59 VanDerWaalsContact C-N 3.32Å; D57-A59 PolarHBondContact O-N 2.9Å; A59-F124 HydrophobicContact CB-CD2 3.8Å; A59-F124 HydrophobicContact CB-CE2 4.08Å; A59-P336 HydrophobicContact CB-CG 3.68Å
60	I	98.6	Very high	97.9	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	12%	0.116	C	C	.	.			trans	-77.6	137.8	-177.3	-53.7	179	0	0	0	110.9	L56 V62 I65 Y106 I110 I120 L337	L56-I60 WeakPolarHBondContact O-CG1 3.4Å; I60-V62 PolarHBondContact O-N 3.46Å; I60-I65 HydrophobicContact CB-CD1 4.34Å; I60-I65 HydrophobicContact CB-CG1 4.46Å; I60-I65 HydrophobicContact CG2-CD1 4.08Å; I60-I65 HydrophobicContact CG2-CG1 3.69Å; I60-Y106 HydrophobicContact CD1-CD2 4.3Å; I60-Y106 HydrophobicContact CD1-CE2 4.05Å; I60-I110 HydrophobicContact CD1-CB 4.48Å; I60-I110 HydrophobicContact CD1-CG1 3.9Å; I60-I110 HydrophobicContact CD1-CG2 4.26Å; I60-I110 HydrophobicContact CG2-CD1 4.5Å; I60-I120 HydrophobicContact CB-CG2 4.49Å; I60-I120 HydrophobicContact CD1-CD1 3.87Å; I60-I120 HydrophobicContact CD1-CG2 4.28Å; I60-I120 HydrophobicContact CG1-CB 4.37Å; I60-I120 HydrophobicContact CG1-CD1 4.13Å; I60-I120 HydrophobicContact CG1-CG2 4.15Å; I60-I120 HydrophobicContact CG2-CG2 3.7Å; I60-L337 HydrophobicContact CB-CD2 4.27Å; I60-L337 WeakPolarHBondContact O-CD1 3.36Å; I60-L337 WeakPolarHBondContact O-CD2 3.5Å
61	R	98.1	Very high	97.8	Very high	61 Å²	61	28.9 Å²	28.9	23%	0.23	13%	0.133	C	C	.	.			trans	-65.2	131.3	171.7	-63.8	177.2	-179.2	162.4	2.8	110.7	Q63 T64 I65 E123 E126 D127	R61-Q63 PolarHBondContact O-N 3.27Å; R61-T64 WeakPolarHBondContact O-CA 3.33Å; R61-T64 WeakPolarHBondContact O-CB 3.38Å; R61-T64 PolarHBondContact O-N 3.23Å; R61-I65 PolarHBondContact O-N 3.1Å; R61-I65 VanDerWaalsContact O-N 3.14Å; R61-E123 IonicContact NH1-OE1 3.31Å; R61-E123 PolarHBondContact NH2-O 2.96Å; R61-E126 IonicContact CZ-OE2 3.59Å; R61-E126 IonicContact NH1-OE2 3.42Å; R61-E126 PolarHBondContact NH1-OE2 3.34Å; R61-E126 IonicContact NH2-OE1 3.24Å; R61-E126 IonicContact NH2-OE2 3.21Å; R61-E126 PolarHBondContact NH2-OE2 3.09Å; R61-D127 IonicContact CZ-OD1 2.72Å; R61-D127 IonicContact CZ-OD2 2.69Å; R61-D127 IonicContact NE-OD1 3.18Å; R61-D127 PolarHBondContact NE-OD1 2.81Å; R61-D127 IonicContact NE-OD2 2.72Å; R61-D127 PolarHBondContact NE-OD2 2.73Å; R61-D127 IonicContact NH2-OD1 3.15Å; R61-D127 PolarHBondContact NH2-OD1 2.9Å; R61-D127 IonicContact NH2-OD2 2.9Å; R61-D127 PolarHBondContact NH2-OD2 3.34Å
62	V	96.7	Very high	97.7	Very high	22 Å²	22	32.7 Å²	32.7	13%	0.133	15%	0.148	C	C	.	.	H	α-helix	trans	-52.6	-41.3	173.4	177.5	0	0	0	0	111.6	I60 T64 I65 L66 A81 L84 K85 L337	I60-V62 PolarHBondContact O-N 3.46Å; V62-T64 VanDerWaalsContact C-N 3.31Å; V62-T64 PolarHBondContact O-N 2.99Å; V62-I65 WeakPolarHBondContact O-CB 3.35Å; V62-I65 PolarHBondContact O-N 2.65Å; V62-L66 PolarHBondContact O-N 3.15Å; V62-L66 VanDerWaalsContact O-N 3.1Å; V62-A81 HydrophobicContact CG1-CB 4.16Å; V62-A81 WeakPolarHBondContact CG1-O 3.42Å; V62-L84 HydrophobicContact CG1-CB 4.2Å; V62-L84 HydrophobicContact CG1-CD2 3.98Å; V62-L84 HydrophobicContact CG1-CG 4.24Å; V62-K85 HydrophobicContact CG1-CB 4.42Å; V62-K85 HydrophobicContact CG2-CB 4.28Å; V62-L337 HydrophobicContact CG2-CD1 3.55Å
63	Q	96.1	Very high	97.6	Very high	100 Å²	100	36 Å²	36	47%	0.467	18%	0.181	S	C	.	.	H	α-helix	trans	-63.1	-37.8	177.9	-170.7	57.9	51.4	0	0	112.2	R61 I65 L66 D67	R61-Q63 PolarHBondContact O-N 3.27Å; Q63-I65 VanDerWaalsContact C-N 3.35Å; Q63-L66 PolarHBondContact O-N 3.37Å; Q63-D67 PolarHBondContact NE2-OD1 3.1Å; Q63-D67 WeakPolarHBondContact O-CB 3.45Å; Q63-D67 PolarHBondContact O-N 3.4Å
64	T	97.7	Very high	97.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-38.5	177.1	-62	0	0	0	0	111.4	R61 V62 L66 D67 V68 R119 I120 E123	R61-T64 WeakPolarHBondContact O-CA 3.33Å; R61-T64 WeakPolarHBondContact O-CB 3.38Å; R61-T64 PolarHBondContact O-N 3.23Å; V62-T64 VanDerWaalsContact C-N 3.31Å; V62-T64 PolarHBondContact O-N 2.99Å; T64-L66 PolarHBondContact O-N 3.37Å; T64-D67 PolarHBondContact O-N 3.02Å; T64-V68 HydrophobicContact CG2-CG2 4.29Å; T64-V68 WeakPolarHBondContact O-CB 3.14Å; T64-V68 VanDerWaalsContact O-CG2 3.22Å; T64-V68 WeakPolarHBondContact O-CG2 3.38Å; T64-V68 PolarHBondContact O-N 3.02Å; T64-R119 HydrophobicContact CG2-CG 4.27Å; T64-R119 PolarHBondContact OG1-NH2 3.36Å; T64-R119 VanDerWaalsContact OG1-NH2 3.17Å; T64-I120 HydrophobicContact CG2-CG2 4Å; T64-E123 WeakPolarHBondContact CB-OE2 3.45Å; T64-E123 VanDerWaalsContact OG1-CD 3.24Å; T64-E123 PolarHBondContact OG1-OE1 3.2Å; T64-E123 PolarHBondContact OG1-OE2 3.36Å
65	I	97.7	Very high	96.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-47.2	173.1	-62.2	161.5	0	0	0	110.2	I60 R61 V62 Q63 V68 A69 L76 L84 I88 Y106 V109 I110 L337	I60-I65 HydrophobicContact CB-CD1 4.34Å; I60-I65 HydrophobicContact CB-CG1 4.46Å; I60-I65 HydrophobicContact CG2-CD1 4.08Å; I60-I65 HydrophobicContact CG2-CG1 3.69Å; R61-I65 PolarHBondContact O-N 3.1Å; R61-I65 VanDerWaalsContact O-N 3.14Å; V62-I65 WeakPolarHBondContact O-CB 3.35Å; V62-I65 PolarHBondContact O-N 2.65Å; Q63-I65 VanDerWaalsContact C-N 3.35Å; I65-V68 PolarHBondContact O-N 3.3Å; I65-A69 VanDerWaalsContact O-CB 3.25Å; I65-A69 WeakPolarHBondContact O-CB 3.32Å; I65-A69 PolarHBondContact O-N 3.32Å; I65-L76 HydrophobicContact CG2-CD1 4.04Å; I65-L76 HydrophobicContact CG2-CD2 4.2Å; I65-L84 HydrophobicContact CB-CD2 4.17Å; I65-L84 HydrophobicContact CG2-CD2 3.8Å; I65-I88 HydrophobicContact CD1-CD1 4.03Å; I65-Y106 HydrophobicContact CD1-CD2 3.89Å; I65-Y106 HydrophobicContact CD1-CG 3.82Å; I65-Y106 HydrophobicContact CG1-CD2 4.48Å; I65-V109 HydrophobicContact CG2-CB 4.4Å; I65-V109 HydrophobicContact CG2-CG1 4.35Å; I65-V109 HydrophobicContact CG2-CG2 4.47Å; I65-V109 WeakPolarHBondContact O-CG1 3.36Å; I65-I110 HydrophobicContact CG1-CD1 4.39Å; I65-L337 HydrophobicContact CD1-CD2 4.02Å
66	L	95.6	Very high	96.4	Very high	29 Å²	29	44 Å²	44	15%	0.152	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-45	177.7	-70.3	174.4	0	0	0	113	V62 Q63 T64 V68 A69 K70 L76 A81 L84	V62-L66 PolarHBondContact O-N 3.15Å; V62-L66 VanDerWaalsContact O-N 3.1Å; Q63-L66 PolarHBondContact O-N 3.37Å; T64-L66 PolarHBondContact O-N 3.37Å; L66-V68 VanDerWaalsContact C-N 3.35Å; L66-V68 PolarHBondContact O-N 3.37Å; L66-A69 PolarHBondContact O-N 2.81Å; L66-K70 WeakPolarHBondContact O-CB 3.36Å; L66-K70 PolarHBondContact O-N 3.22Å; L66-L76 HydrophobicContact CD2-CD1 3.86Å; L66-A81 HydrophobicContact CD1-CB 3.64Å; L66-L84 HydrophobicContact CD2-CD2 3.85Å; L66-L84 HydrophobicContact CG-CD2 3.99Å
67	D	96.4	Very high	95.4	Very high	57 Å²	57	46.4 Å²	46.4	31%	0.305	25%	0.249	S	C	.	.	H	α-helix	trans	-60.6	-46.6	-180	-67.3	-14.5	0	0	0	110.8	Q63 T64 K70 R71 R119	Q63-D67 PolarHBondContact NE2-OD1 3.1Å; Q63-D67 WeakPolarHBondContact O-CB 3.45Å; Q63-D67 PolarHBondContact O-N 3.4Å; T64-D67 PolarHBondContact O-N 3.02Å; D67-K70 PolarHBondContact O-N 2.87Å; D67-R71 WeakPolarHBondContact O-CB 3.05Å; D67-R71 PolarHBondContact O-N 2.83Å; D67-R119 IonicContact OD2-CZ 2.8Å; D67-R119 IonicContact OD2-NH1 3.06Å; D67-R119 PolarHBondContact OD2-NH1 3.01Å; D67-R119 IonicContact OD2-NH2 3.72Å; D67-R119 PolarHBondContact OD2-NH2 3.01Å
68	V	97.8	Very high	94.7	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-68.5	-43	179.9	175.6	0	0	0	0	110.7	T64 I65 L66 K70 R71 R72 V109 I110 A116	T64-V68 HydrophobicContact CG2-CG2 4.29Å; T64-V68 WeakPolarHBondContact O-CB 3.14Å; T64-V68 VanDerWaalsContact O-CG2 3.22Å; T64-V68 WeakPolarHBondContact O-CG2 3.38Å; T64-V68 PolarHBondContact O-N 3.02Å; I65-V68 PolarHBondContact O-N 3.3Å; L66-V68 VanDerWaalsContact C-N 3.35Å; L66-V68 PolarHBondContact O-N 3.37Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 2.9Å; V68-R71 PolarHBondContact O-N 3.35Å; V68-R72 HydrophobicContact CG1-CG 4.04Å; V68-R72 WeakPolarHBondContact O-CB 3.49Å; V68-R72 WeakPolarHBondContact O-CG 3.38Å; V68-R72 PolarHBondContact O-N 3.3Å; V68-V109 HydrophobicContact CB-CG1 3.89Å; V68-V109 HydrophobicContact CG1-CG1 3.7Å; V68-V109 VanDerWaalsContact CG1-O 3.28Å; V68-V109 WeakPolarHBondContact CG1-O 3.38Å; V68-I110 HydrophobicContact CB-CD1 4.33Å; V68-I110 HydrophobicContact CG1-CD1 4.38Å; V68-I110 HydrophobicContact CG2-CD1 4.34Å; V68-A116 HydrophobicContact CB-CB 4.49Å; V68-A116 HydrophobicContact CG1-CB 3.86Å; V68-A116 HydrophobicContact CG2-CB 3.78Å
69	A	96.7	Very high	93.6	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-47	176.1	0	0	0	0	0	111.3	I65 L66 R72 G73 I74 L76 V109	I65-A69 VanDerWaalsContact O-CB 3.25Å; I65-A69 WeakPolarHBondContact O-CB 3.32Å; I65-A69 PolarHBondContact O-N 3.32Å; L66-A69 PolarHBondContact O-N 2.81Å; A69-R72 PolarHBondContact O-N 2.93Å; A69-G73 PolarHBondContact O-N 2.61Å; A69-I74 PolarHBondContact O-N 2.97Å; A69-L76 HydrophobicContact CB-CD1 3.4Å; A69-L76 HydrophobicContact CB-CG 3.82Å; A69-V109 HydrophobicContact CB-CG1 3.75Å; A69-V109 HydrophobicContact CB-CG2 4.08Å; A69-V109 VanDerWaalsContact N-CG1 3.33Å
70	K	95.8	Very high	92.9	Very high	186 Å²	186	55.5 Å²	55.5	81%	0.809	30%	0.298	S	S	*	.	H	α-helix	trans	-61.7	-45.1	176	-176.2	179.2	178.9	-179	0	111.9	L66 D67 V68 G73	L66-K70 WeakPolarHBondContact O-CB 3.36Å; L66-K70 PolarHBondContact O-N 3.22Å; D67-K70 PolarHBondContact O-N 2.87Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 2.9Å; K70-G73 PolarHBondContact O-N 2.85Å
71	R	97.7	Very high	92.4	Very high	96 Å²	96	56.3 Å²	56.3	36%	0.362	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-40.8	178.9	-172.9	-170.2	68.1	-158.2	-4.7	112.1	D67 V68 D113 E115	D67-R71 WeakPolarHBondContact O-CB 3.05Å; D67-R71 PolarHBondContact O-N 2.83Å; V68-R71 PolarHBondContact O-N 3.35Å; R71-D113 IonicContact CZ-OD1 2.91Å; R71-D113 IonicContact CZ-OD2 2.85Å; R71-D113 IonicContact NH2-OD1 2.69Å; R71-D113 PolarHBondContact NH2-OD1 3.22Å; R71-D113 IonicContact NH2-OD2 3.1Å; R71-D113 PolarHBondContact NH2-OD2 3.43Å; R71-E115 IonicContact CZ-OE2 2.7Å; R71-E115 IonicContact NH1-OE1 3.42Å; R71-E115 PolarHBondContact NH1-OE1 3.42Å; R71-E115 IonicContact NH1-OE2 2.67Å; R71-E115 PolarHBondContact NH1-OE2 2.81Å
72	R	96.9	Very high	92.1	Very high	81 Å²	81	59.9 Å²	59.9	31%	0.306	33%	0.325	S	S	.	.	H	α-helix	trans	-85.4	-8.1	-178.1	-63.6	-175.9	76	-177.1	7.1	113.8	V68 A69 I74 V109 A111 D113	V68-R72 HydrophobicContact CG1-CG 4.04Å; V68-R72 WeakPolarHBondContact O-CB 3.49Å; V68-R72 WeakPolarHBondContact O-CG 3.38Å; V68-R72 PolarHBondContact O-N 3.3Å; A69-R72 PolarHBondContact O-N 2.93Å; R72-I74 VanDerWaalsContact C-N 3.3Å; R72-I74 HydrophobicContact CB-CD1 3.86Å; R72-I74 HydrophobicContact CB-CG1 3.92Å; R72-I74 PolarHBondContact O-N 2.89Å; R72-V109 WeakPolarHBondContact CD-O 3.45Å; R72-V109 PolarHBondContact NH1-O 3.06Å; R72-A111 PolarHBondContact NH1-O 2.91Å; R72-A111 PolarHBondContact NH2-O 2.98Å; R72-D113 VanDerWaalsContact CD-OD2 3.23Å; R72-D113 WeakPolarHBondContact CD-OD2 3.48Å; R72-D113 IonicContact NE-OD2 3.5Å; R72-D113 PolarHBondContact NE-OD2 2.97Å
73	G	95.8	Very high	91.8	Very high	68 Å²	68	63.3 Å²	63.3	70%	0.701	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	29.4	-175.4	0	0	0	0	0	113.5	A69 K70	A69-G73 PolarHBondContact O-N 2.61Å; K70-G73 PolarHBondContact O-N 2.85Å
74	I	94.7	Very high	91.6	Very high	47 Å²	47	58.6 Å²	58.6	24%	0.241	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-93.1	125.8	178.6	-62.4	172.8	0	0	0	108.7	A69 R72 V109	A69-I74 PolarHBondContact O-N 2.97Å; R72-I74 VanDerWaalsContact C-N 3.3Å; R72-I74 HydrophobicContact CB-CD1 3.86Å; R72-I74 HydrophobicContact CB-CG1 3.92Å; R72-I74 PolarHBondContact O-N 2.89Å; I74-V109 HydrophobicContact CB-CG2 4.48Å; I74-V109 HydrophobicContact CG2-CG2 3.93Å
75	S	88.9	Confident	91.4	Very high	113 Å²	113	62.3 Å²	62.3	79%	0.79	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-74.4	126	175.9	-62.3	0	0	0	0	110.7
76	L	88.9	Confident	91.2	Very high	26 Å²	26	68 Å²	68	14%	0.136	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-93.1	158.9	170.9	-80.2	166.6	0	0	0	110.8	I65 L66 A69 A78 L84 V109	I65-L76 HydrophobicContact CG2-CD1 4.04Å; I65-L76 HydrophobicContact CG2-CD2 4.2Å; L66-L76 HydrophobicContact CD2-CD1 3.86Å; A69-L76 HydrophobicContact CB-CD1 3.4Å; A69-L76 HydrophobicContact CB-CG 3.82Å; L76-A78 PolarHBondContact O-N 2.88Å; L76-L84 HydrophobicContact CD1-CD2 3.96Å; L76-L84 HydrophobicContact CD2-CD1 4.23Å; L76-V109 HydrophobicContact CD2-CG2 3.61Å; L76-V109 HydrophobicContact CG-CG2 4.11Å
77	P	78.1	Confident	91.1	Very high	53 Å²	53	71 Å²	71	34%	0.344	37%	0.372	S	S	.	.	S	Bend	trans	-71.3	8.1	174.8	31.9	-36.1	0	0	0	113.1	K87 E105	P77-K87 HydrophobicContact CB-CD 3.89Å; P77-K87 HydrophobicContact CG-CD 3.98Å; P77-K87 WeakPolarHBondContact O-CE 3.28Å; P77-K87 PolarHBondContact O-NZ 3.41Å; P77-E105 WeakPolarHBondContact CG-OE2 3.15Å
78	A	82.8	Confident	91	Very high	7 Å²	7	68.2 Å²	68.2	6%	0.058	36%	0.357	C	S	.	.			trans	-148.8	151.5	-176.9	0	0	0	0	0	110.5	L76 E83 L84	L76-A78 PolarHBondContact O-N 2.88Å; A78-E83 HydrophobicContact CB-CB 3.6Å; A78-L84 HydrophobicContact CB-CB 3.8Å; A78-L84 HydrophobicContact CB-CD1 4.31Å; A78-L84 VanDerWaalsContact CB-N 3.32Å
79	N	76.3	Confident	90.9	Very high	153 Å²	153	68.5 Å²	68.5	82%	0.818	36%	0.359	S	S	*	.	S	Bend	trans	-107.7	-9.6	-179.8	-64.3	-58.6	0	0	0	113.7	E83	N79-E83 PolarHBondContact N-OE2 3.23Å
80	T	84.1	Confident	90.9	Very high	55 Å²	55	68.6 Å²	68.6	34%	0.337	36%	0.359	S	S	.	.	S	Bend	trans	-127.1	162.3	178.5	65.3	0	0	0	0	111.2	E82 E83 L84	T80-E82 VanDerWaalsContact C-N 3.3Å; T80-E82 PolarHBondContact O-N 3.48Å; T80-E83 PolarHBondContact O-N 3Å; T80-E83 WeakPolarHBondContact OG1-CB 3.24Å; T80-E83 WeakPolarHBondContact OG1-CG 3.23Å; T80-E83 PolarHBondContact OG1-N 3.29Å; T80-E83 VanDerWaalsContact OG1-N 3.16Å; T80-L84 WeakPolarHBondContact O-CB 3.44Å; T80-L84 PolarHBondContact O-N 3.36Å
81	A	87.9	Confident	90.7	Very high	23 Å²	23	64.6 Å²	64.6	19%	0.19	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-39.8	177.3	0	0	0	0	0	111	V62 L66 L84 K85	V62-A81 HydrophobicContact CG1-CB 4.16Å; V62-A81 WeakPolarHBondContact CG1-O 3.42Å; L66-A81 HydrophobicContact CD1-CB 3.64Å; A81-L84 PolarHBondContact O-N 2.89Å; A81-K85 WeakPolarHBondContact O-CB 3.46Å; A81-K85 PolarHBondContact O-N 3.02Å
82	E	90.8	Very high	90.6	Very high	136 Å²	136	66.8 Å²	66.8	64%	0.636	36%	0.357	S	S	*	.	H	α-helix	trans	-63.8	-48.3	178.6	-65.3	70.8	-156.9	0	0	111	T80 L84 K85 E86	T80-E82 VanDerWaalsContact C-N 3.3Å; T80-E82 PolarHBondContact O-N 3.48Å; E82-L84 PolarHBondContact O-N 2.79Å; E82-K85 PolarHBondContact O-N 3.05Å; E82-E86 WeakPolarHBondContact O-CG 3.4Å; E82-E86 PolarHBondContact O-N 3.31Å
83	E	91.3	Very high	90.5	Very high	94 Å²	94	65.4 Å²	65.4	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-62.5	-41.4	177.4	-75.5	170.9	-170.2	0	0	112.4	A78 N79 T80 K85 K87	A78-E83 HydrophobicContact CB-CB 3.6Å; N79-E83 PolarHBondContact N-OE2 3.23Å; T80-E83 PolarHBondContact O-N 3Å; T80-E83 WeakPolarHBondContact OG1-CB 3.24Å; T80-E83 WeakPolarHBondContact OG1-CG 3.23Å; T80-E83 PolarHBondContact OG1-N 3.29Å; T80-E83 VanDerWaalsContact OG1-N 3.16Å; E83-K85 VanDerWaalsContact C-N 3.35Å; E83-K87 WeakPolarHBondContact O-CG 3.07Å; E83-K87 PolarHBondContact O-N 3.02Å
84	L	92.4	Very high	90.6	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-66.7	-42.2	178.7	-177.4	60.3	0	0	0	110.6	V62 I65 L66 L76 A78 T80 A81 E82 E86 K87 I88	V62-L84 HydrophobicContact CG1-CB 4.2Å; V62-L84 HydrophobicContact CG1-CD2 3.98Å; V62-L84 HydrophobicContact CG1-CG 4.24Å; I65-L84 HydrophobicContact CB-CD2 4.17Å; I65-L84 HydrophobicContact CG2-CD2 3.8Å; L66-L84 HydrophobicContact CD2-CD2 3.85Å; L66-L84 HydrophobicContact CG-CD2 3.99Å; L76-L84 HydrophobicContact CD1-CD2 3.96Å; L76-L84 HydrophobicContact CD2-CD1 4.23Å; A78-L84 HydrophobicContact CB-CB 3.8Å; A78-L84 HydrophobicContact CB-CD1 4.31Å; A78-L84 VanDerWaalsContact CB-N 3.32Å; T80-L84 WeakPolarHBondContact O-CB 3.44Å; T80-L84 PolarHBondContact O-N 3.36Å; A81-L84 PolarHBondContact O-N 2.89Å; E82-L84 PolarHBondContact O-N 2.79Å; L84-E86 PolarHBondContact O-N 3.27Å; L84-K87 PolarHBondContact O-N 3.18Å; L84-K87 VanDerWaalsContact O-N 3.12Å; L84-I88 HydrophobicContact CD1-CD1 3.91Å; L84-I88 HydrophobicContact CD1-CG1 4.24Å; L84-I88 HydrophobicContact CD2-CD1 4.33Å; L84-I88 HydrophobicContact CG-CD1 3.73Å; L84-I88 HydrophobicContact CG-CG1 4.41Å; L84-I88 WeakPolarHBondContact O-CG1 3.19Å; L84-I88 PolarHBondContact O-N 3.43Å
85	K	92.2	Very high	90.6	Very high	80 Å²	80	65.7 Å²	65.7	35%	0.348	35%	0.349	S	S	.	.	H	α-helix	trans	-58.2	-47.6	177.8	-178.6	168.2	-175.8	179.1	0	111.3	V62 A81 E82 E83 K87 I88 I89 N340	V62-K85 HydrophobicContact CG1-CB 4.42Å; V62-K85 HydrophobicContact CG2-CB 4.28Å; A81-K85 WeakPolarHBondContact O-CB 3.46Å; A81-K85 PolarHBondContact O-N 3.02Å; E82-K85 PolarHBondContact O-N 3.05Å; E83-K85 VanDerWaalsContact C-N 3.35Å; K85-K87 PolarHBondContact O-N 3.17Å; K85-I88 PolarHBondContact O-N 2.89Å; K85-I89 HydrophobicContact CB-CD1 4.49Å; K85-I89 HydrophobicContact CD-CD1 3.96Å; K85-I89 HydrophobicContact CG-CD1 3.24Å; K85-I89 HydrophobicContact CG-CG1 4.18Å; K85-I89 WeakPolarHBondContact O-CB 3.16Å; K85-I89 VanDerWaalsContact O-CG1 3.25Å; K85-I89 WeakPolarHBondContact O-CG1 3.48Å; K85-I89 PolarHBondContact O-N 3.33Å; K85-N340 WeakPolarHBondContact CE-OD1 3.49Å; K85-N340 PolarHBondContact NZ-OD1 2.73Å
86	E	93.3	Very high	90.7	Very high	119 Å²	119	60.9 Å²	60.9	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-61.7	-29.4	176.5	-68.8	-64.2	122.4	0	0	113.3	E82 L84 H91	E82-E86 WeakPolarHBondContact O-CG 3.4Å; E82-E86 PolarHBondContact O-N 3.31Å; L84-E86 PolarHBondContact O-N 3.27Å; E86-H91 IonicContact OE1-CE1 3.84Å; E86-H91 IonicContact OE1-NE2 3.93Å; E86-H91 IonicContact OE2-CE1 3.99Å; E86-H91 IonicContact OE2-NE2 3.59Å
87	K	93.5	Very high	90.9	Very high	91 Å²	91	62.7 Å²	62.7	40%	0.396	33%	0.327	S	S	.	.	H	α-helix	trans	-76.4	-38.2	175.9	-72	-170.9	175.3	-152.1	0	112.9	P77 E83 L84 K85 K102	P77-K87 HydrophobicContact CB-CD 3.89Å; P77-K87 HydrophobicContact CG-CD 3.98Å; P77-K87 WeakPolarHBondContact O-CE 3.28Å; P77-K87 PolarHBondContact O-NZ 3.41Å; E83-K87 WeakPolarHBondContact O-CG 3.07Å; E83-K87 PolarHBondContact O-N 3.02Å; L84-K87 PolarHBondContact O-N 3.18Å; L84-K87 VanDerWaalsContact O-N 3.12Å; K85-K87 PolarHBondContact O-N 3.17Å; K87-K102 PolarHBondContact O-NZ 3.13Å
88	I	95.5	Very high	91.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-76	-40.5	-177.9	-64.6	172.1	0	0	0	110.8	I65 L84 K85 K102 E105 Y106 L337 I338	I65-I88 HydrophobicContact CD1-CD1 4.03Å; L84-I88 HydrophobicContact CD1-CD1 3.91Å; L84-I88 HydrophobicContact CD1-CG1 4.24Å; L84-I88 HydrophobicContact CD2-CD1 4.33Å; L84-I88 HydrophobicContact CG-CD1 3.73Å; L84-I88 HydrophobicContact CG-CG1 4.41Å; L84-I88 WeakPolarHBondContact O-CG1 3.19Å; L84-I88 PolarHBondContact O-N 3.43Å; K85-I88 PolarHBondContact O-N 2.89Å; I88-K102 VanDerWaalsContact O-CD 3.31Å; I88-K102 WeakPolarHBondContact O-CD 3.36Å; I88-K102 WeakPolarHBondContact O-CE 3.48Å; I88-K102 WeakPolarHBondContact O-CG 3.42Å; I88-E105 HydrophobicContact CG1-CB 4.12Å; I88-Y106 HydrophobicContact CD1-CD1 3.8Å; I88-Y106 HydrophobicContact CD1-CG 4.22Å; I88-Y106 HydrophobicContact CG1-CD1 3.95Å; I88-Y106 HydrophobicContact CG2-CD1 4.12Å; I88-Y106 HydrophobicContact CG2-CE1 3.97Å; I88-L337 HydrophobicContact CG2-CD1 4.08Å; I88-L337 HydrophobicContact CG2-CD2 4.07Å; I88-L337 HydrophobicContact CG2-CG 3.75Å; I88-I338 HydrophobicContact CG2-CG1 4.03Å
89	I	95.8	Very high	92.3	Very high	6 Å²	6	66 Å²	66	3%	0.031	33%	0.334	C	S	.	.			trans	-69.4	145.4	-171.1	-67.8	167.2	0	0	0	113	K85 K102 I338 N340	K85-I89 HydrophobicContact CB-CD1 4.49Å; K85-I89 HydrophobicContact CD-CD1 3.96Å; K85-I89 HydrophobicContact CG-CD1 3.24Å; K85-I89 HydrophobicContact CG-CG1 4.18Å; K85-I89 WeakPolarHBondContact O-CB 3.16Å; K85-I89 VanDerWaalsContact O-CG1 3.25Å; K85-I89 WeakPolarHBondContact O-CG1 3.48Å; K85-I89 PolarHBondContact O-N 3.33Å; I89-K102 PolarHBondContact O-NZ 3.27Å; I89-I338 CarbonylContact C-O 3.47Å; I89-I338 VanDerWaalsContact CA-O 3.28Å; I89-I338 WeakPolarHBondContact CA-O 3.26Å; I89-N340 HydrophobicContact CD1-CB 3.52Å; I89-N340 HydrophobicContact CG1-CB 3.86Å; I89-N340 HydrophobicContact CG2-CB 3.95Å
90	V	95.6	Very high	93.2	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.042	31%	0.308	C	S	.	.			trans	-100.1	111.9	164	174.4	0	0	0	0	108.7	E92 V94 K102 L306 I338	V90-E92 WeakPolarHBondContact CG1-O 3.38Å; V90-V94 HydrophobicContact CG1-CG1 4.12Å; V90-V94 HydrophobicContact CG1-CG2 3.76Å; V90-V94 HydrophobicContact CG2-CG2 4.2Å; V90-K102 HydrophobicContact CG2-CG 4.02Å; V90-L306 HydrophobicContact CG1-CB 4.15Å; V90-L306 HydrophobicContact CG1-CD2 4.32Å; V90-I338 HydrophobicContact CB-CG2 4.44Å; V90-I338 HydrophobicContact CG2-CG2 3.81Å; V90-I338 PolarHBondContact N-O 3.44Å
91	H	92.8	Very high	93.7	Very high	102 Å²	102	63 Å²	63	47%	0.472	31%	0.313	S	S	.	.			trans	-90.1	-27.5	-178.5	-66.4	-84.6	0	0	0	113.8	E86	E86-H91 IonicContact OE1-CE1 3.84Å; E86-H91 IonicContact OE1-NE2 3.93Å; E86-H91 IonicContact OE2-CE1 3.99Å; E86-H91 IonicContact OE2-NE2 3.59Å
92	E	94.7	Very high	94.1	Very high	141 Å²	141	64.1 Å²	64.1	66%	0.659	31%	0.314	S	S	*	.	S	Bend	trans	-129.7	154.3	-177.1	-68.1	-63.1	157.8	0	0	109.2	V90 V94	V90-E92 WeakPolarHBondContact CG1-O 3.38Å; E92-V94 PolarHBondContact O-N 2.59Å
93	P	96.1	Very high	94.4	Very high	53 Å²	53	58.5 Å²	58.5	34%	0.344	29%	0.287	S	S	.	.			trans	-50.6	125.3	176.8	-28.5	36.4	0	0	0	113	K305	P93-K305 VanDerWaalsContact CB-O 3.32Å; P93-K305 WeakPolarHBondContact CB-O 3.09Å; P93-K305 HydrophobicContact CG-CG 4.22Å; P93-K305 WeakPolarHBondContact CG-O 3.47Å
94	V	95.9	Very high	94.6	Very high	44 Å²	44	60 Å²	60	27%	0.267	29%	0.292	S	S	.	.			trans	-119.1	-175.5	172.7	-63.4	0	0	0	0	109.9	V90 E92 K98 F99 L306 T307 G308	V90-V94 HydrophobicContact CG1-CG1 4.12Å; V90-V94 HydrophobicContact CG1-CG2 3.76Å; V90-V94 HydrophobicContact CG2-CG2 4.2Å; E92-V94 PolarHBondContact O-N 2.59Å; V94-K98 HydrophobicContact CB-CB 3.96Å; V94-K98 HydrophobicContact CB-CD 4.3Å; V94-K98 HydrophobicContact CG2-CB 4.12Å; V94-F99 HydrophobicContact CG2-CB 4.1Å; V94-L306 WeakPolarHBondContact CG2-O 3.5Å; V94-L306 PolarHBondContact N-O 2.82Å; V94-T307 CarbonylContact O-C 2.96Å; V94-G308 WeakPolarHBondContact O-CA 3.5Å; V94-G308 PolarHBondContact O-N 2.9Å
95	T	94.8	Very high	94.7	Very high	77 Å²	77	63 Å²	63	47%	0.472	31%	0.306	S	S	.	.			trans	-85.9	156	169.7	59.5	0	0	0	0	110.3	T97 K98 F99 T307	T95-T97 VanDerWaalsContact C-N 3.27Å; T95-T97 PolarHBondContact O-N 3.45Å; T95-K98 WeakPolarHBondContact O-CB 3.46Å; T95-K98 PolarHBondContact O-N 2.91Å; T95-K98 WeakPolarHBondContact OG1-CG 3.47Å; T95-K98 PolarHBondContact OG1-N 2.79Å; T95-F99 PolarHBondContact O-N 3.21Å; T95-T307 CarbonylContact C-O 3.55Å
96	L	92.3	Very high	94.9	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-49.1	-46.6	174.7	-177.9	67	0	0	0	112.4	K98 F99 L100 E225 V256 T307	L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.24Å; L96-F99 HydrophobicContact CD1-CD1 3.83Å; L96-F99 HydrophobicContact CD1-CE1 4.27Å; L96-F99 WeakPolarHBondContact O-CB 3.03Å; L96-F99 PolarHBondContact O-N 2.95Å; L96-F99 VanDerWaalsContact O-N 3.15Å; L96-L100 HydrophobicContact CG-CD1 4.18Å; L96-L100 HydrophobicContact CG-CG 4.49Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 2.93Å; L96-E225 HydrophobicContact CD2-CB 4.39Å; L96-V256 HydrophobicContact CB-CG1 4.07Å; L96-V256 HydrophobicContact CB-CG2 4.32Å; L96-V256 HydrophobicContact CD2-CG1 4.49Å; L96-V256 HydrophobicContact CD2-CG2 3.62Å; L96-T307 HydrophobicContact CD1-CG2 4.39Å; L96-T307 PolarHBondContact N-O 2.85Å
97	T	92.6	Very high	95.1	Very high	64 Å²	64	53.5 Å²	53.5	39%	0.393	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-39.8	178.4	-42.3	0	0	0	0	112.8	T95 L100 E101 D224	T95-T97 VanDerWaalsContact C-N 3.27Å; T95-T97 PolarHBondContact O-N 3.45Å; T97-L100 PolarHBondContact O-N 3.3Å; T97-E101 WeakPolarHBondContact O-CG 3.42Å; T97-E101 PolarHBondContact O-N 2.89Å; T97-E101 VanDerWaalsContact O-N 3.1Å; T97-D224 PolarHBondContact OG1-OD2 3.33Å
98	K	94.4	Very high	95.2	Very high	121 Å²	121	51.5 Å²	51.5	53%	0.526	26%	0.255	S	S	.	.	H	α-helix	trans	-70.4	-33.5	176.7	-77.6	-178.1	176.4	-177.5	0	112.5	V94 T95 L96	V94-K98 HydrophobicContact CB-CB 3.96Å; V94-K98 HydrophobicContact CB-CD 4.3Å; V94-K98 HydrophobicContact CG2-CB 4.12Å; T95-K98 WeakPolarHBondContact O-CB 3.46Å; T95-K98 PolarHBondContact O-N 2.91Å; T95-K98 WeakPolarHBondContact OG1-CG 3.47Å; T95-K98 PolarHBondContact OG1-N 2.79Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.24Å
99	F	96.3	Very high	95.3	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-49.4	170.5	150.7	-97.4	0	0	0	110.4	V94 T95 L96 E101 K102 F103 T307 D335 I338 F339	V94-F99 HydrophobicContact CG2-CB 4.1Å; T95-F99 PolarHBondContact O-N 3.21Å; L96-F99 HydrophobicContact CD1-CD1 3.83Å; L96-F99 HydrophobicContact CD1-CE1 4.27Å; L96-F99 WeakPolarHBondContact O-CB 3.03Å; L96-F99 PolarHBondContact O-N 2.95Å; L96-F99 VanDerWaalsContact O-N 3.15Å; F99-E101 PolarHBondContact O-N 3.39Å; F99-K102 WeakPolarHBondContact O-CB 3.47Å; F99-K102 WeakPolarHBondContact O-CG 3.4Å; F99-K102 PolarHBondContact O-N 3.49Å; F99-F103 HydrophobicContact CE1-CE2 4.21Å; F99-F103 HydrophobicContact CE2-CE2 4.27Å; F99-F103 AromaticContact CZ-CE2 3.76Å; F99-F103 HydrophobicContact CZ-CE2 3.76Å; F99-F103 HydrophobicContact CZ-CZ 4.32Å; F99-T307 HydrophobicContact CB-CG2 4.32Å; F99-T307 HydrophobicContact CD1-CG2 4.16Å; F99-T307 HydrophobicContact CD2-CG2 4.46Å; F99-T307 HydrophobicContact CG-CG2 4.04Å; F99-D335 HydrophobicContact CE2-CB 3.97Å; F99-D335 HydrophobicContact CZ-CB 4.13Å; F99-D335 WeakPolarHBondContact CZ-OD2 3.41Å; F99-I338 HydrophobicContact CD2-CB 4.45Å; F99-I338 HydrophobicContact CD2-CD1 4.36Å; F99-I338 HydrophobicContact CD2-CG2 3.69Å; F99-I338 HydrophobicContact CE2-CB 4.07Å; F99-I338 HydrophobicContact CE2-CD1 3.67Å; F99-I338 HydrophobicContact CE2-CG1 4.48Å; F99-I338 HydrophobicContact CE2-CG2 3.81Å; F99-I338 HydrophobicContact CZ-CD1 4.28Å; F99-F339 AromaticContact CD2-CE1 3.55Å; F99-F339 HydrophobicContact CD2-CE1 3.55Å; F99-F339 AromaticContact CD2-CZ 3.53Å; F99-F339 HydrophobicContact CD2-CZ 3.53Å; F99-F339 AromaticContact CE2-CE1 3.76Å; F99-F339 HydrophobicContact CE2-CE1 3.76Å; F99-F339 AromaticContact CE2-CE2 4Å; F99-F339 HydrophobicContact CE2-CE2 4Å; F99-F339 AromaticContact CE2-CZ 3.33Å; F99-F339 HydrophobicContact CE2-CZ 3.33Å; F99-F339 HydrophobicContact CG-CE1 4.43Å; F99-F339 HydrophobicContact CG-CZ 4.33Å; F99-F339 HydrophobicContact CZ-CE2 4.5Å; F99-F339 AromaticContact CZ-CZ 3.99Å; F99-F339 HydrophobicContact CZ-CZ 3.99Å
100	L	94.3	Very high	95.5	Very high	51 Å²	51	51.2 Å²	51.2	27%	0.267	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-28.4	179.4	-69.7	172.3	0	0	0	112.9	L96 T97 K102 F103 D224	L96-L100 HydrophobicContact CG-CD1 4.18Å; L96-L100 HydrophobicContact CG-CG 4.49Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 2.93Å; T97-L100 PolarHBondContact O-N 3.3Å; L100-K102 PolarHBondContact O-N 2.96Å; L100-F103 HydrophobicContact CD2-CE2 4.39Å; L100-F103 WeakPolarHBondContact O-CD2 3.43Å; L100-F103 PolarHBondContact O-N 3.09Å; L100-D224 HydrophobicContact CD1-CB 4.07Å
101	E	95	Very high	95.6	Very high	94 Å²	94	50.9 Å²	50.9	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-25.7	174.1	-75.8	174	163.9	0	0	113.4	T97 F99 F103 K104	T97-E101 WeakPolarHBondContact O-CG 3.42Å; T97-E101 PolarHBondContact O-N 2.89Å; T97-E101 VanDerWaalsContact O-N 3.1Å; F99-E101 PolarHBondContact O-N 3.39Å; E101-F103 PolarHBondContact O-N 2.86Å; E101-K104 VanDerWaalsContact O-CB 3.3Å; E101-K104 WeakPolarHBondContact O-CB 3.4Å; E101-K104 WeakPolarHBondContact O-CG 3.29Å; E101-K104 PolarHBondContact O-N 2.87Å
102	K	96.4	Very high	95.9	Very high	48 Å²	48	46.6 Å²	46.6	21%	0.209	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-62.3	-27.7	-179.8	-64.6	-61.1	-159.3	166.3	0	113.5	K87 I88 I89 V90 F99 L100 K104 E105 I338	K87-K102 PolarHBondContact O-NZ 3.13Å; I88-K102 VanDerWaalsContact O-CD 3.31Å; I88-K102 WeakPolarHBondContact O-CD 3.36Å; I88-K102 WeakPolarHBondContact O-CE 3.48Å; I88-K102 WeakPolarHBondContact O-CG 3.42Å; I89-K102 PolarHBondContact O-NZ 3.27Å; V90-K102 HydrophobicContact CG2-CG 4.02Å; F99-K102 WeakPolarHBondContact O-CB 3.47Å; F99-K102 WeakPolarHBondContact O-CG 3.4Å; F99-K102 PolarHBondContact O-N 3.49Å; L100-K102 PolarHBondContact O-N 2.96Å; K102-K104 PolarHBondContact O-N 2.92Å; K102-E105 VanDerWaalsContact O-CB 3.28Å; K102-E105 WeakPolarHBondContact O-CB 3.44Å; K102-E105 WeakPolarHBondContact O-CG 3.38Å; K102-E105 PolarHBondContact O-N 2.9Å; K102-E105 VanDerWaalsContact O-N 3.07Å; K102-I338 HydrophobicContact CB-CD1 4.12Å; K102-I338 HydrophobicContact CB-CG1 4.3Å; K102-I338 HydrophobicContact CB-CG2 4.08Å; K102-I338 HydrophobicContact CG-CG2 4.02Å
103	F	97.1	Very high	96.1	Very high	18 Å²	18	41 Å²	41	8%	0.079	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-59.9	-28.6	175.4	-73.7	-97.1	0	0	0	112.4	D57 F99 L100 E101 E105 Y106 M107 W156 D335 I338	D57-F103 HydrophobicContact CB-CD1 4.42Å; D57-F103 HydrophobicContact CB-CE1 4.03Å; F99-F103 HydrophobicContact CE1-CE2 4.21Å; F99-F103 HydrophobicContact CE2-CE2 4.27Å; F99-F103 AromaticContact CZ-CE2 3.76Å; F99-F103 HydrophobicContact CZ-CE2 3.76Å; F99-F103 HydrophobicContact CZ-CZ 4.32Å; L100-F103 HydrophobicContact CD2-CE2 4.39Å; L100-F103 WeakPolarHBondContact O-CD2 3.43Å; L100-F103 PolarHBondContact O-N 3.09Å; E101-F103 PolarHBondContact O-N 2.86Å; F103-E105 PolarHBondContact O-N 2.82Å; F103-Y106 AromaticContact CD1-CZ 3.99Å; F103-Y106 WeakPolarHBondContact CD1-OH 3.35Å; F103-Y106 WeakPolarHBondContact CE1-OH 3.27Å; F103-Y106 PolarHBondContact O-N 2.99Å; F103-M107 HydrophobicContact CB-CG 3.93Å; F103-M107 HydrophobicContact CD1-CG 3.92Å; F103-M107 HydrophobicContact CD1-SD 4.37Å; F103-M107 HydrophobicContact CG-CG 4.44Å; F103-M107 VanDerWaalsContact O-CB 3.24Å; F103-M107 WeakPolarHBondContact O-CB 3.42Å; F103-M107 VanDerWaalsContact O-CG 3.26Å; F103-M107 WeakPolarHBondContact O-CG 3.37Å; F103-M107 PolarHBondContact O-N 3.26Å; F103-W156 HydrophobicContact CB-CH2 4.04Å; F103-W156 HydrophobicContact CB-CZ3 4.39Å; F103-D335 VanDerWaalsContact CZ-OD1 3.27Å; F103-D335 WeakPolarHBondContact CZ-OD1 3.4Å; F103-I338 HydrophobicContact CD2-CD1 3.79Å; F103-I338 HydrophobicContact CE1-CD1 4.36Å; F103-I338 HydrophobicContact CE2-CD1 3.42Å; F103-I338 VanDerWaalsContact CE2-CD1 3.42Å; F103-I338 HydrophobicContact CG-CD1 4.42Å; F103-I338 HydrophobicContact CZ-CD1 3.76Å
104	K	94.9	Very high	96.2	Very high	126 Å²	126	42.3 Å²	42.3	55%	0.548	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-63.6	-26.1	177.7	-62.6	173.1	-177.9	168.1	0	112.5	E101 K102 Y106 H108 W156	E101-K104 VanDerWaalsContact O-CB 3.3Å; E101-K104 WeakPolarHBondContact O-CB 3.4Å; E101-K104 WeakPolarHBondContact O-CG 3.29Å; E101-K104 PolarHBondContact O-N 2.87Å; K102-K104 PolarHBondContact O-N 2.92Å; K104-Y106 VanDerWaalsContact C-N 3.25Å; K104-Y106 PolarHBondContact O-N 3.41Å; K104-H108 PolarHBondContact O-ND1 3.03Å; K104-W156 HydrophobicContact CG-CZ3 4.15Å
105	E	95.3	Very high	96.3	Very high	62 Å²	62	46 Å²	46	29%	0.29	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-67.3	-23.8	-177.9	-59.4	-63.9	156	0	0	112.9	P77 I88 K102 F103 H108	P77-E105 WeakPolarHBondContact CG-OE2 3.15Å; I88-E105 HydrophobicContact CG1-CB 4.12Å; K102-E105 VanDerWaalsContact O-CB 3.28Å; K102-E105 WeakPolarHBondContact O-CB 3.44Å; K102-E105 WeakPolarHBondContact O-CG 3.38Å; K102-E105 PolarHBondContact O-N 2.9Å; K102-E105 VanDerWaalsContact O-N 3.07Å; F103-E105 PolarHBondContact O-N 2.82Å; E105-H108 PolarHBondContact O-CE1 3.09Å
106	Y	96.4	Very high	96.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.1	-23.8	-173.7	64.7	-90.6	0	0	0	116.2	D57 I60 I65 I88 F103 K104 H108 V109 L337 I338	D57-Y106 VanDerWaalsContact O-CE2 3.27Å; D57-Y106 WeakPolarHBondContact O-CE2 3.41Å; D57-Y106 PolarHBondContact O-OH 2.95Å; I60-Y106 HydrophobicContact CD1-CD2 4.3Å; I60-Y106 HydrophobicContact CD1-CE2 4.05Å; I65-Y106 HydrophobicContact CD1-CD2 3.89Å; I65-Y106 HydrophobicContact CD1-CG 3.82Å; I65-Y106 HydrophobicContact CG1-CD2 4.48Å; I88-Y106 HydrophobicContact CD1-CD1 3.8Å; I88-Y106 HydrophobicContact CD1-CG 4.22Å; I88-Y106 HydrophobicContact CG1-CD1 3.95Å; I88-Y106 HydrophobicContact CG2-CD1 4.12Å; I88-Y106 HydrophobicContact CG2-CE1 3.97Å; F103-Y106 AromaticContact CD1-CZ 3.99Å; F103-Y106 WeakPolarHBondContact CD1-OH 3.35Å; F103-Y106 WeakPolarHBondContact CE1-OH 3.27Å; F103-Y106 PolarHBondContact O-N 2.99Å; K104-Y106 VanDerWaalsContact C-N 3.25Å; K104-Y106 PolarHBondContact O-N 3.41Å; Y106-H108 VanDerWaalsContact C-N 3.26Å; Y106-H108 PolarHBondContact O-N 2.82Å; Y106-V109 VanDerWaalsContact O-CB 3.3Å; Y106-V109 WeakPolarHBondContact O-CB 3.41Å; Y106-V109 PolarHBondContact O-N 2.93Å; Y106-L337 HydrophobicContact CD1-CD2 4.35Å; Y106-L337 HydrophobicContact CD2-CD2 4.45Å; Y106-L337 HydrophobicContact CE1-CD2 3.93Å; Y106-L337 HydrophobicContact CE2-CD2 4.05Å; Y106-I338 HydrophobicContact CE1-CG1 4.46Å
107	M	97.8	Very high	96.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-33.4	-173	-76.6	-64.3	-76.5	0	0	113.6	D57 F103 V109 I110 A111 F144 L145 W156	D57-M107 HydrophobicContact CB-CE 3.66Å; D57-M107 HydrophobicContact CB-SD 3.65Å; F103-M107 HydrophobicContact CB-CG 3.93Å; F103-M107 HydrophobicContact CD1-CG 3.92Å; F103-M107 HydrophobicContact CD1-SD 4.37Å; F103-M107 HydrophobicContact CG-CG 4.44Å; F103-M107 VanDerWaalsContact O-CB 3.24Å; F103-M107 WeakPolarHBondContact O-CB 3.42Å; F103-M107 VanDerWaalsContact O-CG 3.26Å; F103-M107 WeakPolarHBondContact O-CG 3.37Å; F103-M107 PolarHBondContact O-N 3.26Å; M107-V109 PolarHBondContact O-N 3Å; M107-V109 VanDerWaalsContact O-N 3.11Å; M107-I110 PolarHBondContact O-N 2.81Å; M107-A111 WeakPolarHBondContact O-CB 3.38Å; M107-A111 PolarHBondContact O-N 3.18Å; M107-F144 HydrophobicContact CE-CB 4.37Å; M107-L145 HydrophobicContact CE-CD2 3.64Å; M107-L145 HydrophobicContact CE-CG 4.35Å; M107-W156 HydrophobicContact CB-CD2 3.74Å; M107-W156 HydrophobicContact CB-CE3 4.09Å; M107-W156 HydrophobicContact CB-CG 4.29Å; M107-W156 HydrophobicContact CB-CH2 4.07Å; M107-W156 HydrophobicContact CB-CZ2 3.71Å; M107-W156 HydrophobicContact CB-CZ3 4.24Å; M107-W156 HydrophobicContact CE-CZ2 4.1Å; M107-W156 HydrophobicContact CG-CH2 4.18Å; M107-W156 HydrophobicContact CG-CZ2 3.94Å
108	H	96.4	Very high	97.1	Very high	49 Å²	49	41.1 Å²	41.1	23%	0.227	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-22.4	175.5	66	-84.1	0	0	0	113.5	K104 E105 Y106 W156	K104-H108 PolarHBondContact O-ND1 3.03Å; E105-H108 PolarHBondContact O-CE1 3.09Å; Y106-H108 VanDerWaalsContact C-N 3.26Å; Y106-H108 PolarHBondContact O-N 2.82Å; H108-W156 HydrophobicContact CB-CB 3.78Å
109	V	97.4	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-78.9	-34.4	175.7	174.7	0	0	0	0	112.2	I65 V68 A69 R72 I74 L76 Y106 M107	I65-V109 HydrophobicContact CG2-CB 4.4Å; I65-V109 HydrophobicContact CG2-CG1 4.35Å; I65-V109 HydrophobicContact CG2-CG2 4.47Å; I65-V109 WeakPolarHBondContact O-CG1 3.36Å; V68-V109 HydrophobicContact CB-CG1 3.89Å; V68-V109 HydrophobicContact CG1-CG1 3.7Å; V68-V109 VanDerWaalsContact CG1-O 3.28Å; V68-V109 WeakPolarHBondContact CG1-O 3.38Å; A69-V109 HydrophobicContact CB-CG1 3.75Å; A69-V109 HydrophobicContact CB-CG2 4.08Å; A69-V109 VanDerWaalsContact N-CG1 3.33Å; R72-V109 WeakPolarHBondContact CD-O 3.45Å; R72-V109 PolarHBondContact NH1-O 3.06Å; I74-V109 HydrophobicContact CB-CG2 4.48Å; I74-V109 HydrophobicContact CG2-CG2 3.93Å; L76-V109 HydrophobicContact CD2-CG2 3.61Å; L76-V109 HydrophobicContact CG-CG2 4.11Å; Y106-V109 VanDerWaalsContact O-CB 3.3Å; Y106-V109 WeakPolarHBondContact O-CB 3.41Å; Y106-V109 PolarHBondContact O-N 2.93Å; M107-V109 PolarHBondContact O-N 3Å; M107-V109 VanDerWaalsContact O-N 3.11Å
110	I	98.5	Very high	97.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-92.9	-43.9	-171.7	-57.5	-62.5	0	0	0	111	I60 I65 V68 M107 D113 A116 I117 I120 L145	I60-I110 HydrophobicContact CD1-CB 4.48Å; I60-I110 HydrophobicContact CD1-CG1 3.9Å; I60-I110 HydrophobicContact CD1-CG2 4.26Å; I60-I110 HydrophobicContact CG2-CD1 4.5Å; I65-I110 HydrophobicContact CG1-CD1 4.39Å; V68-I110 HydrophobicContact CB-CD1 4.33Å; V68-I110 HydrophobicContact CG1-CD1 4.38Å; V68-I110 HydrophobicContact CG2-CD1 4.34Å; M107-I110 PolarHBondContact O-N 2.81Å; I110-D113 PolarHBondContact O-N 2.9Å; I110-A116 HydrophobicContact CD1-CB 4.32Å; I110-A116 HydrophobicContact CG2-CB 4.31Å; I110-I117 HydrophobicContact CG2-CG1 4.41Å; I110-I120 HydrophobicContact CG2-CD1 3.96Å; I110-L145 HydrophobicContact CG2-CD2 4.02Å
111	A	98.4	Very high	97.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	143.8	-178.4	0	0	0	0	0	111.5	R72 M107 D113 F144 Q158	R72-A111 PolarHBondContact NH1-O 2.91Å; R72-A111 PolarHBondContact NH2-O 2.98Å; M107-A111 WeakPolarHBondContact O-CB 3.38Å; M107-A111 PolarHBondContact O-N 3.18Å; A111-D113 VanDerWaalsContact C-N 3.26Å; A111-D113 PolarHBondContact O-N 3.16Å; A111-F144 WeakPolarHBondContact CB-O 3.13Å; A111-Q158 VanDerWaalsContact CB-NE2 3.34Å; A111-Q158 PolarHBondContact O-NE2 3.34Å
112	G	98.4	Very high	97.9	Very high	12 Å²	12	35.4 Å²	35.4	12%	0.124	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	11.3	179.5	0	0	0	0	0	114.8	L145 N147	G112-L145 PolarHBondContact N-O 3.29Å; G112-N147 WeakPolarHBondContact CA-ND2 3.48Å
113	D	98.7	Very high	98	Very high	24 Å²	24	34 Å²	34	13%	0.128	15%	0.15	C	C	.	.			trans	-123.4	111.7	177.9	-172.9	-65.6	0	0	0	111.9	R71 R72 I110 A111 E115 A116 I117	R71-D113 IonicContact CZ-OD1 2.91Å; R71-D113 IonicContact CZ-OD2 2.85Å; R71-D113 IonicContact NH2-OD1 2.69Å; R71-D113 PolarHBondContact NH2-OD1 3.22Å; R71-D113 IonicContact NH2-OD2 3.1Å; R71-D113 PolarHBondContact NH2-OD2 3.43Å; R72-D113 VanDerWaalsContact CD-OD2 3.23Å; R72-D113 WeakPolarHBondContact CD-OD2 3.48Å; R72-D113 IonicContact NE-OD2 3.5Å; R72-D113 PolarHBondContact NE-OD2 2.97Å; I110-D113 PolarHBondContact O-N 2.9Å; A111-D113 VanDerWaalsContact C-N 3.26Å; A111-D113 PolarHBondContact O-N 3.16Å; D113-E115 VanDerWaalsContact C-N 3.34Å; D113-E115 PolarHBondContact O-N 3.28Å; D113-E115 PolarHBondContact OD1-N 2.96Å; D113-A116 HydrophobicContact CB-CB 3.91Å; D113-A116 PolarHBondContact O-N 2.74Å; D113-A116 WeakPolarHBondContact OD1-CB 3.38Å; D113-A116 PolarHBondContact OD1-N 2.79Å; D113-I117 WeakPolarHBondContact O-CD1 3.41Å; D113-I117 WeakPolarHBondContact O-CG1 3.3Å; D113-I117 PolarHBondContact O-N 2.69Å
114	R	98.8	Very high	98.1	Very high	80 Å²	80	33.3 Å²	33.3	30%	0.302	15%	0.148	S	C	.	.	H	α-helix	trans	-60.9	-40.6	-174.9	-62.6	-176.5	171.3	73.6	6.7	113.2	K118 D162 L163 E167 L171	R114-K118 PolarHBondContact O-N 3.21Å; R114-D162 IonicContact CZ-OD1 3.23Å; R114-D162 VanDerWaalsContact CZ-OD1 3.26Å; R114-D162 IonicContact NH1-OD1 2.9Å; R114-D162 PolarHBondContact NH1-OD1 3.32Å; R114-D162 IonicContact NH1-OD2 3.74Å; R114-D162 VanDerWaalsContact NH2-CG 3.35Å; R114-D162 PolarHBondContact NH2-O 2.96Å; R114-D162 IonicContact NH2-OD1 3.54Å; R114-D162 PolarHBondContact NH2-OD1 2.97Å; R114-D162 IonicContact NH2-OD2 3.64Å; R114-L163 HydrophobicContact CG-CD1 4.01Å; R114-L163 HydrophobicContact CG-CD2 4.22Å; R114-E167 WeakPolarHBondContact CD-OE1 3.32Å; R114-E167 IonicContact CZ-OE1 3.45Å; R114-E167 IonicContact CZ-OE2 3.6Å; R114-E167 IonicContact NE-OE1 3.85Å; R114-E167 PolarHBondContact NE-OE1 3.07Å; R114-E167 IonicContact NE-OE2 3.72Å; R114-E167 PolarHBondContact NE-OE2 3.31Å; R114-E167 VanDerWaalsContact NE-OE2 3.13Å; R114-E167 IonicContact NH2-OE1 2.81Å; R114-E167 IonicContact NH2-OE2 2.74Å; R114-E167 PolarHBondContact NH2-OE2 3.31Å; R114-L171 HydrophobicContact CB-CD1 3.82Å; R114-L171 HydrophobicContact CB-CD2 4.38Å; R114-L171 HydrophobicContact CG-CD1 3.83Å
115	E	98.8	Very high	98.3	Very high	122 Å²	122	27.3 Å²	27.3	57%	0.57	12%	0.121	S	C	*	.	H	α-helix	trans	-71.3	-39.6	-177.9	-168.3	-172.3	140.2	0	0	110.5	R71 D113 R119	R71-E115 IonicContact CZ-OE2 2.7Å; R71-E115 IonicContact NH1-OE1 3.42Å; R71-E115 PolarHBondContact NH1-OE1 3.42Å; R71-E115 IonicContact NH1-OE2 2.67Å; R71-E115 PolarHBondContact NH1-OE2 2.81Å; D113-E115 VanDerWaalsContact C-N 3.34Å; D113-E115 PolarHBondContact O-N 3.28Å; D113-E115 PolarHBondContact OD1-N 2.96Å; E115-R119 WeakPolarHBondContact O-CB 3.39Å; E115-R119 PolarHBondContact O-N 3.21Å
116	A	98.9	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-48.1	176.5	0	0	0	0	0	111.4	V68 I110 D113 K118 R119 I120	V68-A116 HydrophobicContact CB-CB 4.49Å; V68-A116 HydrophobicContact CG1-CB 3.86Å; V68-A116 HydrophobicContact CG2-CB 3.78Å; I110-A116 HydrophobicContact CD1-CB 4.32Å; I110-A116 HydrophobicContact CG2-CB 4.31Å; D113-A116 HydrophobicContact CB-CB 3.91Å; D113-A116 PolarHBondContact O-N 2.74Å; D113-A116 WeakPolarHBondContact OD1-CB 3.38Å; D113-A116 PolarHBondContact OD1-N 2.79Å; A116-K118 PolarHBondContact O-N 3.45Å; A116-R119 PolarHBondContact O-N 3.42Å; A116-I120 WeakPolarHBondContact O-CG2 3.31Å; A116-I120 PolarHBondContact O-N 3.12Å
117	I	98.9	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-45.2	-178.1	-71	160.3	0	0	0	111.6	I110 D113 I120 A121 L145 L163 V168 L171 V172	I110-I117 HydrophobicContact CG2-CG1 4.41Å; D113-I117 WeakPolarHBondContact O-CD1 3.41Å; D113-I117 WeakPolarHBondContact O-CG1 3.3Å; D113-I117 PolarHBondContact O-N 2.69Å; I117-I120 WeakPolarHBondContact O-CG1 3.27Å; I117-A121 PolarHBondContact O-N 2.86Å; I117-L145 HydrophobicContact CD1-CB 3.99Å; I117-L145 WeakPolarHBondContact CD1-O 3.4Å; I117-L145 HydrophobicContact CG1-CB 4.29Å; I117-L145 HydrophobicContact CG1-CD2 4.38Å; I117-L163 HydrophobicContact CD1-CD2 3.46Å; I117-L163 VanDerWaalsContact CD1-CD2 3.46Å; I117-V168 HydrophobicContact CD1-CG2 4.23Å; I117-V168 HydrophobicContact CG2-CG1 4.22Å; I117-L171 HydrophobicContact CG2-CB 3.94Å; I117-V172 HydrophobicContact CG2-CG2 3.7Å
118	K	98.9	Very high	98.6	Very high	49 Å²	49	28.6 Å²	28.6	21%	0.213	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-41.7	175.1	-176.9	170.6	179	165.3	0	111.9	R114 A116 A121 Y122 L171 E174 E178	R114-K118 PolarHBondContact O-N 3.21Å; A116-K118 PolarHBondContact O-N 3.45Å; K118-A121 PolarHBondContact O-N 2.85Å; K118-Y122 PolarHBondContact O-N 2.91Å; K118-Y122 VanDerWaalsContact O-N 3.14Å; K118-L171 HydrophobicContact CB-CD2 4.45Å; K118-E174 HydrophobicContact CD-CB 4.27Å; K118-E174 IonicContact NZ-OE2 2.83Å; K118-E174 PolarHBondContact NZ-OE2 3.05Å; K118-E178 WeakPolarHBondContact CE-OE1 3.47Å; K118-E178 WeakPolarHBondContact CE-OE2 3.37Å; K118-E178 IonicContact NZ-OE1 2.7Å; K118-E178 PolarHBondContact NZ-OE1 2.99Å; K118-E178 IonicContact NZ-OE2 3.69Å
119	R	98.9	Very high	98.7	Very high	71 Å²	71	27.7 Å²	27.7	27%	0.268	13%	0.13	S	C	.	.	H	α-helix	trans	-60.6	-48	179.3	177	176.5	173.6	-172.6	-5.8	111.9	T64 D67 E115 A116 A121 Y122 E123	T64-R119 HydrophobicContact CG2-CG 4.27Å; T64-R119 PolarHBondContact OG1-NH2 3.36Å; T64-R119 VanDerWaalsContact OG1-NH2 3.17Å; D67-R119 IonicContact OD2-CZ 2.8Å; D67-R119 IonicContact OD2-NH1 3.06Å; D67-R119 PolarHBondContact OD2-NH1 3.01Å; D67-R119 IonicContact OD2-NH2 3.72Å; D67-R119 PolarHBondContact OD2-NH2 3.01Å; E115-R119 WeakPolarHBondContact O-CB 3.39Å; E115-R119 PolarHBondContact O-N 3.21Å; A116-R119 PolarHBondContact O-N 3.42Å; R119-A121 VanDerWaalsContact C-N 3.26Å; R119-A121 PolarHBondContact O-N 3.39Å; R119-Y122 PolarHBondContact O-N 3.31Å; R119-E123 HydrophobicContact CG-CG 4.11Å; R119-E123 IonicContact CZ-OE1 2.73Å; R119-E123 IonicContact NE-OE1 3.9Å; R119-E123 PolarHBondContact NE-OE1 3.5Å; R119-E123 IonicContact NE-OE2 3.19Å; R119-E123 IonicContact NH2-OE1 3.74Å; R119-E123 PolarHBondContact NH2-OE1 2.94Å; R119-E123 WeakPolarHBondContact O-CB 3.37Å; R119-E123 WeakPolarHBondContact O-CG 3.32Å; R119-E123 PolarHBondContact O-N 2.71Å
120	I	98.9	Very high	98.8	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-34.9	-178.1	63.5	168.1	0	0	0	111.9	L56 I60 T64 I110 A116 I117 F124	L56-I120 HydrophobicContact CD1-CG1 4.46Å; L56-I120 HydrophobicContact CD2-CD1 4.22Å; L56-I120 HydrophobicContact CD2-CG1 4.4Å; L56-I120 HydrophobicContact CG-CD1 4.04Å; L56-I120 HydrophobicContact CG-CG1 4.38Å; I60-I120 HydrophobicContact CB-CG2 4.49Å; I60-I120 HydrophobicContact CD1-CD1 3.87Å; I60-I120 HydrophobicContact CD1-CG2 4.28Å; I60-I120 HydrophobicContact CG1-CB 4.37Å; I60-I120 HydrophobicContact CG1-CD1 4.13Å; I60-I120 HydrophobicContact CG1-CG2 4.15Å; I60-I120 HydrophobicContact CG2-CG2 3.7Å; T64-I120 HydrophobicContact CG2-CG2 4Å; I110-I120 HydrophobicContact CG2-CD1 3.96Å; A116-I120 WeakPolarHBondContact O-CG2 3.31Å; A116-I120 PolarHBondContact O-N 3.12Å; I117-I120 WeakPolarHBondContact O-CG1 3.27Å; I120-F124 WeakPolarHBondContact O-CB 3.2Å; I120-F124 PolarHBondContact O-N 2.92Å
121	A	98.9	Very high	98.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-42	175.8	0	0	0	0	0	111.9	L56 I117 K118 R119 V125 V172 L176	L56-A121 HydrophobicContact CD2-CB 4.33Å; I117-A121 PolarHBondContact O-N 2.86Å; K118-A121 PolarHBondContact O-N 2.85Å; R119-A121 VanDerWaalsContact C-N 3.26Å; R119-A121 PolarHBondContact O-N 3.39Å; A121-V125 WeakPolarHBondContact O-CG2 3.44Å; A121-V125 PolarHBondContact O-N 2.88Å; A121-V172 HydrophobicContact CB-CB 4.42Å; A121-V172 HydrophobicContact CB-CG1 4.02Å; A121-L176 HydrophobicContact CB-CD2 4.15Å; A121-L176 HydrophobicContact CB-CG 4.19Å
122	Y	98.9	Very high	98.8	Very high	77 Å²	77	36.5 Å²	36.5	30%	0.302	18%	0.175	S	C	.	.	H	α-helix	trans	-64.1	-48.5	174.6	177.3	-89.2	0	0	0	112.3	K118 R119 F124 V125 E126 G175 E178 A182 F183	K118-Y122 PolarHBondContact O-N 2.91Å; K118-Y122 VanDerWaalsContact O-N 3.14Å; R119-Y122 PolarHBondContact O-N 3.31Å; Y122-F124 VanDerWaalsContact C-N 3.3Å; Y122-F124 PolarHBondContact O-N 3.47Å; Y122-V125 PolarHBondContact O-N 2.83Å; Y122-E126 PolarHBondContact O-N 2.67Å; Y122-G175 WeakPolarHBondContact CA-O 3.46Å; Y122-E178 HydrophobicContact CD2-CB 3.73Å; Y122-E178 HydrophobicContact CE2-CB 4.16Å; Y122-A182 HydrophobicContact CE2-CB 4.04Å; Y122-F183 HydrophobicContact CD1-CE2 4.39Å; Y122-F183 AromaticContact CE1-CE2 3.77Å; Y122-F183 HydrophobicContact CE1-CE2 3.77Å; Y122-F183 AromaticContact CE1-CZ 3.79Å; Y122-F183 HydrophobicContact CE1-CZ 3.79Å; Y122-F183 AromaticContact CE2-CE2 3.96Å; Y122-F183 HydrophobicContact CE2-CE2 3.96Å; Y122-F183 HydrophobicContact CE2-CZ 4.48Å; Y122-F183 AromaticContact CZ-CE2 3.53Å; Y122-F183 AromaticContact CZ-CZ 3.64Å; Y122-F183 WeakPolarHBondContact OH-CZ 3.46Å
123	E	98.9	Very high	98.8	Very high	18 Å²	18	36 Å²	36	8%	0.084	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-34.5	-179.6	-71.1	-176.7	159.2	0	0	112.3	R61 T64 R119 V125 E126 D127	R61-E123 IonicContact NH1-OE1 3.31Å; R61-E123 PolarHBondContact NH2-O 2.96Å; T64-E123 WeakPolarHBondContact CB-OE2 3.45Å; T64-E123 VanDerWaalsContact OG1-CD 3.24Å; T64-E123 PolarHBondContact OG1-OE1 3.2Å; T64-E123 PolarHBondContact OG1-OE2 3.36Å; R119-E123 HydrophobicContact CG-CG 4.11Å; R119-E123 IonicContact CZ-OE1 2.73Å; R119-E123 IonicContact NE-OE1 3.9Å; R119-E123 PolarHBondContact NE-OE1 3.5Å; R119-E123 IonicContact NE-OE2 3.19Å; R119-E123 IonicContact NH2-OE1 3.74Å; R119-E123 PolarHBondContact NH2-OE1 2.94Å; R119-E123 WeakPolarHBondContact O-CB 3.37Å; R119-E123 WeakPolarHBondContact O-CG 3.32Å; R119-E123 PolarHBondContact O-N 2.71Å; E123-V125 PolarHBondContact O-N 2.7Å; E123-E126 VanDerWaalsContact O-CB 3.31Å; E123-E126 WeakPolarHBondContact O-CB 3.16Å; E123-E126 PolarHBondContact O-N 3.07Å; E123-D127 PolarHBondContact O-N 3.01Å
124	F	98.9	Very high	98.8	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-57.2	-47.4	173.8	169.9	-96.1	0	0	0	111.8	V54 L56 A59 I120 Y122 E126 D127 K128 V136 V138 L176	V54-F124 HydrophobicContact CG1-CE2 3.98Å; V54-F124 HydrophobicContact CG1-CZ 3.62Å; V54-F124 HydrophobicContact CG2-CE2 3.75Å; V54-F124 HydrophobicContact CG2-CZ 4.29Å; L56-F124 HydrophobicContact CD1-CB 3.71Å; L56-F124 HydrophobicContact CD1-CD2 4.26Å; L56-F124 HydrophobicContact CD1-CG 3.92Å; A59-F124 HydrophobicContact CB-CD2 3.8Å; A59-F124 HydrophobicContact CB-CE2 4.08Å; I120-F124 WeakPolarHBondContact O-CB 3.2Å; I120-F124 PolarHBondContact O-N 2.92Å; Y122-F124 VanDerWaalsContact C-N 3.3Å; Y122-F124 PolarHBondContact O-N 3.47Å; F124-E126 VanDerWaalsContact C-N 3.3Å; F124-E126 PolarHBondContact O-N 3.07Å; F124-D127 PolarHBondContact O-N 3.28Å; F124-K128 HydrophobicContact CD2-CG 4.28Å; F124-K128 HydrophobicContact CE1-CG 4.05Å; F124-K128 HydrophobicContact CE2-CD 4.3Å; F124-K128 HydrophobicContact CE2-CG 3.8Å; F124-K128 HydrophobicContact CZ-CD 4.42Å; F124-K128 HydrophobicContact CZ-CG 3.67Å; F124-K128 WeakPolarHBondContact O-CG 3.42Å; F124-K128 PolarHBondContact O-N 3.25Å; F124-V136 HydrophobicContact CE1-CB 4.5Å; F124-V136 HydrophobicContact CE1-CG1 3.77Å; F124-V136 HydrophobicContact CE1-CG2 3.91Å; F124-V136 HydrophobicContact CZ-CG1 4.34Å; F124-V136 HydrophobicContact CZ-CG2 3.62Å; F124-V138 HydrophobicContact CD1-CB 4.28Å; F124-V138 HydrophobicContact CD1-CG1 4.47Å; F124-V138 HydrophobicContact CD1-CG2 4.23Å; F124-V138 HydrophobicContact CD2-CG2 4.29Å; F124-V138 HydrophobicContact CE1-CB 3.53Å; F124-V138 HydrophobicContact CE1-CG1 4.06Å; F124-V138 HydrophobicContact CE1-CG2 3.73Å; F124-V138 HydrophobicContact CE2-CB 4.4Å; F124-V138 HydrophobicContact CE2-CG2 3.78Å; F124-V138 HydrophobicContact CG-CG2 4.48Å; F124-V138 HydrophobicContact CZ-CB 3.59Å; F124-V138 HydrophobicContact CZ-CG2 3.47Å; F124-V138 VanDerWaalsContact CZ-CG2 3.47Å; F124-L176 HydrophobicContact CD1-CD2 4.05Å
125	V	98.9	Very high	98.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-38	178.5	-176.3	0	0	0	0	111.1	A121 Y122 E123 D127 A129 L176 G179 F183 I185 A187	A121-V125 WeakPolarHBondContact O-CG2 3.44Å; A121-V125 PolarHBondContact O-N 2.88Å; Y122-V125 PolarHBondContact O-N 2.83Å; E123-V125 PolarHBondContact O-N 2.7Å; V125-D127 PolarHBondContact O-N 2.71Å; V125-A129 WeakPolarHBondContact O-CB 3.49Å; V125-A129 PolarHBondContact O-N 2.72Å; V125-L176 HydrophobicContact CG2-CD2 3.67Å; V125-G179 VanDerWaalsContact CG1-C 3.44Å; V125-F183 HydrophobicContact CB-CD2 4.41Å; V125-F183 HydrophobicContact CG1-CD2 4.18Å; V125-I185 HydrophobicContact CG1-CD1 3.73Å; V125-I185 HydrophobicContact CG1-CG1 3.44Å; V125-I185 VanDerWaalsContact CG1-CG1 3.44Å; V125-I185 WeakPolarHBondContact O-CD1 3.27Å; V125-A187 HydrophobicContact CG2-CB 3.86Å
126	E	98.9	Very high	98.8	Very high	47 Å²	47	26.6 Å²	26.6	22%	0.22	13%	0.129	C	C	.	.	H	α-helix	trans	-57.9	-47.1	174.1	-174.3	-175	169.4	0	0	111.8	R61 Y122 E123 F124 A129 K130 F183	R61-E126 IonicContact CZ-OE2 3.59Å; R61-E126 IonicContact NH1-OE2 3.42Å; R61-E126 PolarHBondContact NH1-OE2 3.34Å; R61-E126 IonicContact NH2-OE1 3.24Å; R61-E126 IonicContact NH2-OE2 3.21Å; R61-E126 PolarHBondContact NH2-OE2 3.09Å; Y122-E126 PolarHBondContact O-N 2.67Å; E123-E126 VanDerWaalsContact O-CB 3.31Å; E123-E126 WeakPolarHBondContact O-CB 3.16Å; E123-E126 PolarHBondContact O-N 3.07Å; F124-E126 VanDerWaalsContact C-N 3.3Å; F124-E126 PolarHBondContact O-N 3.07Å; E126-A129 PolarHBondContact O-N 3.39Å; E126-K130 VanDerWaalsContact CD-NZ 3.34Å; E126-K130 WeakPolarHBondContact O-CG 3.12Å; E126-K130 PolarHBondContact O-N 2.89Å; E126-K130 WeakPolarHBondContact OE1-CE 3.08Å; E126-K130 IonicContact OE1-NZ 3.45Å; E126-K130 PolarHBondContact OE1-NZ 2.85Å; E126-F183 HydrophobicContact CB-CD1 4.39Å; E126-F183 HydrophobicContact CB-CD2 3.9Å; E126-F183 HydrophobicContact CB-CE1 3.95Å; E126-F183 HydrophobicContact CB-CE2 3.4Å; E126-F183 VanDerWaalsContact CB-CE2 3.4Å; E126-F183 HydrophobicContact CB-CG 4.37Å; E126-F183 HydrophobicContact CB-CZ 3.42Å; E126-F183 VanDerWaalsContact CB-CZ 3.42Å; E126-F183 HydrophobicContact CG-CD1 4.14Å; E126-F183 HydrophobicContact CG-CE1 3.53Å; E126-F183 HydrophobicContact CG-CE2 3.97Å; E126-F183 HydrophobicContact CG-CZ 3.43Å; E126-F183 VanDerWaalsContact CG-CZ 3.43Å
127	D	98.8	Very high	98.8	Very high	40 Å²	40	26.6 Å²	26.6	21%	0.214	13%	0.129	C	C	.	.	H	α-helix	trans	-70.8	-40.6	-176.6	-70.2	-22.6	0	0	0	111.9	R61 E123 F124 V125 A129 K130 E131	R61-D127 IonicContact CZ-OD1 2.72Å; R61-D127 IonicContact CZ-OD2 2.69Å; R61-D127 IonicContact NE-OD1 3.18Å; R61-D127 PolarHBondContact NE-OD1 2.81Å; R61-D127 IonicContact NE-OD2 2.72Å; R61-D127 PolarHBondContact NE-OD2 2.73Å; R61-D127 IonicContact NH2-OD1 3.15Å; R61-D127 PolarHBondContact NH2-OD1 2.9Å; R61-D127 IonicContact NH2-OD2 2.9Å; R61-D127 PolarHBondContact NH2-OD2 3.34Å; E123-D127 PolarHBondContact O-N 3.01Å; F124-D127 PolarHBondContact O-N 3.28Å; V125-D127 PolarHBondContact O-N 2.71Å; D127-A129 VanDerWaalsContact C-N 3.29Å; D127-A129 PolarHBondContact O-N 3.39Å; D127-K130 WeakPolarHBondContact O-CB 3.45Å; D127-K130 PolarHBondContact O-N 3.1Å; D127-K130 VanDerWaalsContact O-N 3.07Å; D127-K130 IonicContact OD1-NZ 2.66Å; D127-K130 PolarHBondContact OD1-NZ 3.07Å; D127-E131 PolarHBondContact O-N 2.97Å
128	K	98.8	Very high	98.8	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.013	13%	0.129	C	C	.	.	H	α-helix	trans	-64.2	-34	174.7	-64.7	-53.1	-178.7	170.6	0	112.8	E51 F124 K130 E131 G132 V133 I185 T333	E51-K128 VanDerWaalsContact CD-NZ 3.35Å; E51-K128 IonicContact OE1-NZ 3.17Å; E51-K128 PolarHBondContact OE1-NZ 2.82Å; E51-K128 VanDerWaalsContact OE2-CD 3.25Å; E51-K128 WeakPolarHBondContact OE2-CD 3.44Å; E51-K128 WeakPolarHBondContact OE2-CE 3.41Å; E51-K128 IonicContact OE2-NZ 2.67Å; E51-K128 PolarHBondContact OE2-NZ 2.91Å; F124-K128 HydrophobicContact CD2-CG 4.28Å; F124-K128 HydrophobicContact CE1-CG 4.05Å; F124-K128 HydrophobicContact CE2-CD 4.3Å; F124-K128 HydrophobicContact CE2-CG 3.8Å; F124-K128 HydrophobicContact CZ-CD 4.42Å; F124-K128 HydrophobicContact CZ-CG 3.67Å; F124-K128 WeakPolarHBondContact O-CG 3.42Å; F124-K128 PolarHBondContact O-N 3.25Å; K128-K130 VanDerWaalsContact C-N 3.33Å; K128-K130 PolarHBondContact O-N 2.9Å; K128-E131 IonicContact NZ-OE1 3.26Å; K128-E131 IonicContact NZ-OE2 2.76Å; K128-E131 PolarHBondContact NZ-OE2 2.66Å; K128-E131 VanDerWaalsContact NZ-OE2 3.1Å; K128-E131 WeakPolarHBondContact O-CB 3.36Å; K128-E131 PolarHBondContact O-N 3.06Å; K128-G132 PolarHBondContact O-N 3.11Å; K128-V133 HydrophobicContact CB-CB 4.13Å; K128-V133 HydrophobicContact CB-CG2 4.35Å; K128-V133 HydrophobicContact CD-CG2 4.47Å; K128-V133 VanDerWaalsContact O-CB 3.27Å; K128-V133 WeakPolarHBondContact O-CB 3.07Å; K128-V133 PolarHBondContact O-N 3.44Å; K128-V133 VanDerWaalsContact O-N 3.1Å; K128-I185 HydrophobicContact CB-CD1 3.97Å; K128-T333 PolarHBondContact NZ-OG1 3.28Å; K128-T333 VanDerWaalsContact NZ-OG1 3.09Å
129	A	98.8	Very high	98.8	Very high	29 Å²	29	24.2 Å²	24.2	24%	0.24	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-39	172.2	0	0	0	0	0	112.2	V125 E126 D127 E131 G132 F183 I185	V125-A129 WeakPolarHBondContact O-CB 3.49Å; V125-A129 PolarHBondContact O-N 2.72Å; E126-A129 PolarHBondContact O-N 3.39Å; D127-A129 VanDerWaalsContact C-N 3.29Å; D127-A129 PolarHBondContact O-N 3.39Å; A129-E131 PolarHBondContact O-N 2.91Å; A129-G132 PolarHBondContact O-N 3.49Å; A129-G132 VanDerWaalsContact O-N 3.09Å; A129-F183 HydrophobicContact CB-CB 3.75Å; A129-F183 HydrophobicContact CB-CG 4.49Å; A129-I185 HydrophobicContact CB-CD1 4.12Å; A129-I185 HydrophobicContact CB-CG1 4.41Å; A129-I185 HydrophobicContact CB-CG2 3.78Å
130	K	98.5	Very high	98.8	Very high	135 Å²	135	20.9 Å²	20.9	59%	0.587	11%	0.106	S	C	*	.	H	α-helix	trans	-65.7	-25.2	175.7	-66.1	167.2	-170.7	156.8	0	112.9	E126 D127 K128 G132	E126-K130 VanDerWaalsContact CD-NZ 3.34Å; E126-K130 WeakPolarHBondContact O-CG 3.12Å; E126-K130 PolarHBondContact O-N 2.89Å; E126-K130 WeakPolarHBondContact OE1-CE 3.08Å; E126-K130 IonicContact OE1-NZ 3.45Å; E126-K130 PolarHBondContact OE1-NZ 2.85Å; D127-K130 WeakPolarHBondContact O-CB 3.45Å; D127-K130 PolarHBondContact O-N 3.1Å; D127-K130 VanDerWaalsContact O-N 3.07Å; D127-K130 IonicContact OD1-NZ 2.66Å; D127-K130 PolarHBondContact OD1-NZ 3.07Å; K128-K130 VanDerWaalsContact C-N 3.33Å; K128-K130 PolarHBondContact O-N 2.9Å; K130-G132 PolarHBondContact O-N 3.48Å
131	E	98.3	Very high	98.8	Very high	25 Å²	25	20.7 Å²	20.7	12%	0.117	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.4	175.3	-67.4	174.3	-156.7	0	0	113.2	K49 D127 K128 A129 V133 N342 L343 P344	K49-E131 PolarHBondContact NZ-O 3.5Å; D127-E131 PolarHBondContact O-N 2.97Å; K128-E131 IonicContact NZ-OE1 3.26Å; K128-E131 IonicContact NZ-OE2 2.76Å; K128-E131 PolarHBondContact NZ-OE2 2.66Å; K128-E131 VanDerWaalsContact NZ-OE2 3.1Å; K128-E131 WeakPolarHBondContact O-CB 3.36Å; K128-E131 PolarHBondContact O-N 3.06Å; A129-E131 PolarHBondContact O-N 2.91Å; E131-V133 VanDerWaalsContact C-N 3.33Å; E131-V133 HydrophobicContact CB-CG2 4.17Å; E131-N342 HydrophobicContact CG-CB 4.3Å; E131-L343 HydrophobicContact CB-CB 4.46Å; E131-L343 WeakPolarHBondContact OE2-CB 3.27Å; E131-L343 PolarHBondContact OE2-N 3.04Å; E131-L343 VanDerWaalsContact OE2-N 3.08Å; E131-P344 HydrophobicContact CB-CG 4.38Å; E131-P344 HydrophobicContact CG-CG 4.47Å
132	G	98.4	Very high	98.8	Very high	25 Å²	25	20.7 Å²	20.7	26%	0.258	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	19.4	-176.1	0	0	0	0	0	113.5	P48 K49 K128 A129 K130	P48-G132 CarbonylContact C-O 3.45Å; P48-G132 WeakPolarHBondContact CA-O 3.42Å; K49-G132 PolarHBondContact N-O 3.35Å; K128-G132 PolarHBondContact O-N 3.11Å; A129-G132 PolarHBondContact O-N 3.49Å; A129-G132 VanDerWaalsContact O-N 3.09Å; K130-G132 PolarHBondContact O-N 3.48Å
133	V	98.9	Very high	98.8	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	131.4	173.3	-179.3	0	0	0	0	109.2	K49 E51 K128 E131 Y135 V136 I185 L343	K49-V133 HydrophobicContact CB-CG2 4.44Å; K49-V133 CarbonylContact O-C 3.53Å; K49-V133 WeakPolarHBondContact O-CA 3.37Å; E51-V133 HydrophobicContact CB-CG1 4.41Å; K128-V133 HydrophobicContact CB-CB 4.13Å; K128-V133 HydrophobicContact CB-CG2 4.35Å; K128-V133 HydrophobicContact CD-CG2 4.47Å; K128-V133 VanDerWaalsContact O-CB 3.27Å; K128-V133 WeakPolarHBondContact O-CB 3.07Å; K128-V133 PolarHBondContact O-N 3.44Å; K128-V133 VanDerWaalsContact O-N 3.1Å; E131-V133 VanDerWaalsContact C-N 3.33Å; E131-V133 HydrophobicContact CB-CG2 4.17Å; V133-Y135 WeakPolarHBondContact CG1-O 3.32Å; V133-V136 HydrophobicContact CG1-CB 4.01Å; V133-I185 WeakPolarHBondContact O-CG2 3.21Å; V133-L343 HydrophobicContact CG2-CD2 3.58Å
134	I	98.8	Very high	98.8	Very high	29 Å²	29	17.5 Å²	17.5	15%	0.149	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-18	175.8	62	162.1	0	0	0	113	P48 K49 I50 K186 L382 Q385 L386	P48-I134 HydrophobicContact CB-CD1 3.83Å; P48-I134 HydrophobicContact CB-CG1 4Å; P48-I134 HydrophobicContact CB-CG2 3.75Å; P48-I134 HydrophobicContact CG-CG2 4.3Å; K49-I134 PolarHBondContact O-N 2.95Å; I50-I134 HydrophobicContact CD1-CD1 4.3Å; I50-I134 HydrophobicContact CD1-CG1 3.83Å; I134-K186 PolarHBondContact O-N 3.45Å; I134-L382 HydrophobicContact CD1-CD1 3.69Å; I134-L382 HydrophobicContact CG1-CD1 4.05Å; I134-Q385 HydrophobicContact CD1-CB 4.27Å; I134-L386 HydrophobicContact CD1-CD2 3.75Å; I134-L386 HydrophobicContact CD1-CG 4.21Å; I134-L386 HydrophobicContact CG1-CD2 4.47Å
135	Y	98.9	Very high	98.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	132.5	172.5	175.5	-113.8	0	0	0	110.9	I50 E51 L52 V133 E137 K186 R188 S372 L374 L382	I50-Y135 WeakPolarHBondContact CA-O 3.37Å; I50-Y135 HydrophobicContact CG2-CD1 3.8Å; E51-Y135 PolarHBondContact N-O 3.33Å; E51-Y135 VanDerWaalsContact N-O 3.11Å; L52-Y135 HydrophobicContact CD2-CD1 4.29Å; L52-Y135 HydrophobicContact CD2-CE1 3.88Å; V133-Y135 WeakPolarHBondContact CG1-O 3.32Å; Y135-E137 HydrophobicContact CE1-CG 3.73Å; Y135-E137 WeakPolarHBondContact CE1-OE1 3.41Å; Y135-E137 HydrophobicContact CE2-CG 4.45Å; Y135-E137 VanDerWaalsContact CZ-CG 3.5Å; Y135-E137 WeakPolarHBondContact OH-CG 3.35Å; Y135-E137 PolarHBondContact OH-OE1 2.9Å; Y135-K186 VanDerWaalsContact CA-O 3.28Å; Y135-K186 WeakPolarHBondContact CA-O 3.38Å; Y135-K186 HydrophobicContact CD2-CB 3.88Å; Y135-K186 HydrophobicContact CD2-CD 3.88Å; Y135-K186 HydrophobicContact CD2-CG 3.79Å; Y135-K186 WeakPolarHBondContact CD2-O 3.38Å; Y135-K186 HydrophobicContact CE2-CD 4.09Å; Y135-K186 HydrophobicContact CE2-CG 4.11Å; Y135-R188 HydrophobicContact CE2-CB 4.35Å; Y135-R188 HydrophobicContact CE2-CG 3.84Å; Y135-S372 VanDerWaalsContact CE1-CB 3.41Å; Y135-L374 HydrophobicContact CD1-CD1 4.42Å; Y135-L374 HydrophobicContact CD2-CD1 4.02Å; Y135-L374 HydrophobicContact CD2-CG 4.48Å; Y135-L374 HydrophobicContact CE1-CD1 4.19Å; Y135-L374 HydrophobicContact CE1-CG 4.22Å; Y135-L374 HydrophobicContact CE2-CD1 3.72Å; Y135-L374 HydrophobicContact CE2-CD2 3.63Å; Y135-L374 HydrophobicContact CE2-CG 3.69Å; Y135-L374 HydrophobicContact CG-CD1 4.34Å; Y135-L374 WeakPolarHBondContact OH-CG 3.24Å; Y135-L382 HydrophobicContact CD1-CD2 3.65Å; Y135-L382 HydrophobicContact CE1-CD2 4.45Å; Y135-L382 HydrophobicContact CG-CD2 3.71Å
136	V	98.9	Very high	98.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.7	178.4	64.3	0	0	0	0	112.6	E51 V54 F124 V133 K186 A187 R188	E51-V136 HydrophobicContact CB-CG2 4.16Å; E51-V136 CarbonylContact O-C 3.58Å; E51-V136 VanDerWaalsContact O-CA 3.26Å; E51-V136 WeakPolarHBondContact O-CA 3.48Å; V54-V136 HydrophobicContact CG1-CG2 3.67Å; F124-V136 HydrophobicContact CE1-CB 4.5Å; F124-V136 HydrophobicContact CE1-CG1 3.77Å; F124-V136 HydrophobicContact CE1-CG2 3.91Å; F124-V136 HydrophobicContact CZ-CG1 4.34Å; F124-V136 HydrophobicContact CZ-CG2 3.62Å; V133-V136 HydrophobicContact CG1-CB 4.01Å; V136-K186 PolarHBondContact N-O 2.8Å; V136-A187 HydrophobicContact CG1-CB 3.88Å; V136-A187 WeakPolarHBondContact O-CA 3.32Å; V136-R188 PolarHBondContact O-N 3.04Å
137	E	98.9	Very high	98.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	103.3	166.2	-67.9	173.2	-168.6	0	0	109	E51 L52 Y135 R188 I190 V217 R273 S372 F373	E51-E137 PolarHBondContact O-N 2.85Å; L52-E137 HydrophobicContact CD2-CB 4.49Å; L52-E137 HydrophobicContact CD2-CG 4.15Å; Y135-E137 HydrophobicContact CE1-CG 3.73Å; Y135-E137 WeakPolarHBondContact CE1-OE1 3.41Å; Y135-E137 HydrophobicContact CE2-CG 4.45Å; Y135-E137 VanDerWaalsContact CZ-CG 3.5Å; Y135-E137 WeakPolarHBondContact OH-CG 3.35Å; Y135-E137 PolarHBondContact OH-OE1 2.9Å; E137-R188 WeakPolarHBondContact CA-O 3.47Å; E137-R188 HydrophobicContact CG-CB 4.41Å; E137-I190 HydrophobicContact CB-CD1 3.97Å; E137-I190 HydrophobicContact CB-CG1 4.37Å; E137-V217 HydrophobicContact CG-CG2 4.24Å; E137-R273 IonicContact OE1-NH1 2.79Å; E137-R273 IonicContact OE2-CZ 2.63Å; E137-R273 IonicContact OE2-NH1 3.58Å; E137-R273 PolarHBondContact OE2-NH1 3.11Å; E137-R273 IonicContact OE2-NH2 2.96Å; E137-R273 PolarHBondContact OE2-NH2 2.94Å; E137-S372 WeakPolarHBondContact OE1-CA 3.26Å; E137-S372 WeakPolarHBondContact OE1-CB 3.44Å; E137-F373 PolarHBondContact OE1-N 2.99Å; E137-F373 WeakPolarHBondContact OE2-CD2 3.4Å
138	V	98.9	Very high	98.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	138.8	179.8	70.5	0	0	0	0	110.6	V54 L56 F124 L176 R188 S189 I190	V54-V138 HydrophobicContact CG1-CG2 4.41Å; V54-V138 WeakPolarHBondContact O-CA 3.16Å; V54-V138 WeakPolarHBondContact O-CG2 3.48Å; L56-V138 HydrophobicContact CB-CG2 3.58Å; L56-V138 HydrophobicContact CD1-CG2 4.3Å; L56-V138 HydrophobicContact CG-CG2 4.49Å; F124-V138 HydrophobicContact CD1-CB 4.28Å; F124-V138 HydrophobicContact CD1-CG1 4.47Å; F124-V138 HydrophobicContact CD1-CG2 4.23Å; F124-V138 HydrophobicContact CD2-CG2 4.29Å; F124-V138 HydrophobicContact CE1-CB 3.53Å; F124-V138 HydrophobicContact CE1-CG1 4.06Å; F124-V138 HydrophobicContact CE1-CG2 3.73Å; F124-V138 HydrophobicContact CE2-CB 4.4Å; F124-V138 HydrophobicContact CE2-CG2 3.78Å; F124-V138 HydrophobicContact CG-CG2 4.48Å; F124-V138 HydrophobicContact CZ-CB 3.59Å; F124-V138 HydrophobicContact CZ-CG2 3.47Å; F124-V138 VanDerWaalsContact CZ-CG2 3.47Å; V138-L176 HydrophobicContact CG1-CD1 3.83Å; V138-L176 HydrophobicContact CG1-CD2 4.04Å; V138-R188 PolarHBondContact N-O 2.91Å; V138-S189 CarbonylContact O-C 3.58Å; V138-S189 WeakPolarHBondContact O-CA 3.37Å; V138-I190 PolarHBondContact O-N 2.78Å
139	R	98.9	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.5	-178.2	70.7	-170.1	60.6	-166.1	9.1	112.4	L52 H53 V54 H55 L56 I190 D220 H252 E298	L52-R139 PolarHBondContact O-NH2 3.43Å; H53-R139 PolarHBondContact CE1-NH1 2.95Å; H53-R139 VanDerWaalsContact CE1-NH1 3.28Å; H53-R139 VanDerWaalsContact ND1-CZ 3.28Å; H53-R139 PolarHBondContact ND1-NH1 2.87Å; H53-R139 VanDerWaalsContact ND1-NH1 3.17Å; H53-R139 PolarHBondContact ND1-NH2 3.46Å; V54-R139 WeakPolarHBondContact O-CG 3.43Å; V54-R139 PolarHBondContact O-N 3.18Å; H55-R139 CarbonylContact C-O 3.59Å; H55-R139 VanDerWaalsContact CA-O 3.31Å; H55-R139 WeakPolarHBondContact CA-O 3.32Å; H55-R139 VanDerWaalsContact NE2-CD 3.32Å; H55-R139 WeakPolarHBondContact NE2-CD 3.49Å; L56-R139 PolarHBondContact N-O 2.82Å; R139-I190 VanDerWaalsContact CA-O 3.27Å; R139-I190 WeakPolarHBondContact CA-O 3.45Å; R139-I190 HydrophobicContact CB-CB 3.94Å; R139-I190 HydrophobicContact CB-CG2 4.25Å; R139-D220 WeakPolarHBondContact CD-OD2 3.48Å; R139-D220 IonicContact CZ-OD2 3.58Å; R139-D220 IonicContact NE-OD2 3.97Å; R139-D220 IonicContact NH1-OD1 3.71Å; R139-D220 IonicContact NH1-OD2 2.72Å; R139-D220 PolarHBondContact NH1-OD2 3.36Å; R139-H252 PolarHBondContact NH1-CE1 3.35Å; R139-H252 VanDerWaalsContact NH1-CE1 3.34Å; R139-E298 IonicContact CZ-OE2 2.71Å; R139-E298 IonicContact NH1-OE2 2.71Å; R139-E298 PolarHBondContact NH1-OE2 2.98Å; R139-E298 VanDerWaalsContact NH2-CD 3.33Å; R139-E298 IonicContact NH2-OE1 2.79Å; R139-E298 PolarHBondContact NH2-OE1 2.79Å; R139-E298 IonicContact NH2-OE2 3.83Å; R139-E298 PolarHBondContact NH2-OE2 3.47Å
140	Y	98.9	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	159.1	175.6	63.2	-78.7	0	0	0	110.7	L56 P142 L145 V168 V169 V172 I190 L191 C192	L56-Y140 HydrophobicContact CB-CD1 4.4Å; L56-Y140 HydrophobicContact CD2-CD1 4.26Å; L56-Y140 HydrophobicContact CD2-CG 4.48Å; Y140-P142 HydrophobicContact CE2-CB 4.03Å; Y140-L145 HydrophobicContact CD2-CD1 4.05Å; Y140-V168 HydrophobicContact CE2-CG1 4.01Å; Y140-V169 WeakPolarHBondContact OH-CA 3.22Å; Y140-V172 HydrophobicContact CD1-CG1 4.36Å; Y140-V172 HydrophobicContact CE1-CB 4.17Å; Y140-V172 HydrophobicContact CE1-CG1 3.56Å; Y140-V172 HydrophobicContact CE1-CG2 4.3Å; Y140-V172 HydrophobicContact CE2-CB 4.45Å; Y140-V172 HydrophobicContact CE2-CG2 3.97Å; Y140-V172 WeakPolarHBondContact OH-CB 3.37Å; Y140-I190 PolarHBondContact N-O 3.43Å; Y140-L191 HydrophobicContact CE1-CD2 3.92Å; Y140-L191 HydrophobicContact CE2-CD2 4.02Å; Y140-L191 WeakPolarHBondContact OH-CD2 3.37Å; Y140-C192 PolarHBondContact O-N 3.2Å
141	S	98.8	Very high	97.5	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.014	10%	0.1	C	C	.	.			trans	-91.6	116.1	167.3	-172.4	0	0	0	0	109.9	H143 F144 C192	S141-H143 PolarHBondContact O-N 2.92Å; S141-F144 PolarHBondContact O-N 2.92Å; S141-C192 PolarHBondContact OG-O 2.72Å
142	P	98.8	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-32.8	179	23.9	-32	0	0	0	111.9	Y140 F144 L145 A146 P165 V168 V169 L207	Y140-P142 HydrophobicContact CE2-CB 4.03Å; P142-F144 VanDerWaalsContact C-N 3.3Å; P142-F144 PolarHBondContact O-N 2.97Å; P142-L145 PolarHBondContact O-N 2.76Å; P142-L145 VanDerWaalsContact O-N 3.11Å; P142-A146 PolarHBondContact O-N 2.63Å; P142-P165 HydrophobicContact CB-CB 4.11Å; P142-P165 HydrophobicContact CG-CB 4.48Å; P142-V168 HydrophobicContact CB-CB 4.31Å; P142-V168 HydrophobicContact CB-CG1 4.14Å; P142-V169 HydrophobicContact CB-CG2 3.71Å; P142-V169 HydrophobicContact CG-CG2 4.09Å; P142-L207 HydrophobicContact CG-CD1 3.95Å
143	H	98.6	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-35.6	176.9	-61.4	79.1	0	0	0	113.4	S141 L145 A146 V150 W200 E203	S141-H143 PolarHBondContact O-N 2.92Å; H143-L145 VanDerWaalsContact C-N 3.27Å; H143-L145 PolarHBondContact O-N 3.22Å; H143-A146 PolarHBondContact O-N 3.27Å; H143-V150 HydrophobicContact CB-CG1 4.29Å; H143-V150 WeakPolarHBondContact O-CG1 3.42Å; H143-W200 HydrophobicContact CB-CD2 3.6Å; H143-W200 HydrophobicContact CB-CE3 3.38Å; H143-W200 HydrophobicContact CB-CG 4.31Å; H143-W200 HydrophobicContact CB-CH2 3.77Å; H143-W200 HydrophobicContact CB-CZ2 3.94Å; H143-W200 HydrophobicContact CB-CZ3 3.48Å; H143-W200 VanDerWaalsContact CB-CZ3 3.48Å; H143-W200 AromaticContact CD2-CD1 3.61Å; H143-W200 AromaticContact CD2-CD2 3.69Å; H143-W200 AromaticContact CD2-CE2 3.91Å; H143-W200 AromaticContact CD2-CG 3.51Å; H143-W200 AromaticContact CD2-NE1 3.86Å; H143-W200 AromaticContact CG-CD2 3.56Å; H143-W200 AromaticContact CG-CE3 3.72Å; H143-W200 AromaticContact CG-CG 3.74Å; H143-W200 AromaticContact NE2-CG 3.88Å; H143-E203 IonicContact CD2-OE2 3.36Å; H143-E203 IonicContact CE1-OE2 2.72Å; H143-E203 IonicContact NE2-OE2 3.45Å; H143-E203 PolarHBondContact NE2-OE2 2.69Å
144	F	98.5	Very high	95.7	Very high	28 Å²	28	31 Å²	31	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-73.4	-15.8	177.6	-78.9	-43.3	0	0	0	114.3	M107 A111 S141 P142 P155 W156 M194 H196 W200	M107-F144 HydrophobicContact CE-CB 4.37Å; A111-F144 WeakPolarHBondContact CB-O 3.13Å; S141-F144 PolarHBondContact O-N 2.92Å; P142-F144 VanDerWaalsContact C-N 3.3Å; P142-F144 PolarHBondContact O-N 2.97Å; F144-P155 HydrophobicContact CD1-CB 3.95Å; F144-P155 HydrophobicContact CD1-CG 3.92Å; F144-W156 HydrophobicContact CB-CZ2 3.99Å; F144-W156 HydrophobicContact CD1-CH2 4.41Å; F144-W156 AromaticContact CD1-CZ2 3.64Å; F144-W156 HydrophobicContact CD1-CZ2 3.64Å; F144-W156 HydrophobicContact CE1-CZ2 4.23Å; F144-W156 AromaticContact CG-CZ2 3.83Å; F144-W156 HydrophobicContact CG-CZ2 3.83Å; F144-W156 PolarHBondContact O-NE1 2.76Å; F144-M194 HydrophobicContact CD2-CG 4.26Å; F144-M194 HydrophobicContact CD2-SD 4.32Å; F144-M194 HydrophobicContact CE2-CE 3.81Å; F144-M194 HydrophobicContact CE2-CG 3.58Å; F144-M194 HydrophobicContact CE2-SD 3.78Å; F144-M194 HydrophobicContact CZ-CG 4.16Å; F144-H196 AromaticContact CZ-CE1 3.63Å; F144-H196 AromaticContact CZ-NE2 3.51Å; F144-W200 HydrophobicContact CD1-CH2 4.05Å; F144-W200 HydrophobicContact CD1-CZ3 4.09Å; F144-W200 AromaticContact CE1-CH2 3.89Å; F144-W200 HydrophobicContact CE1-CH2 3.89Å; F144-W200 AromaticContact CE1-CZ3 3.87Å; F144-W200 HydrophobicContact CE1-CZ3 3.87Å; F144-W200 HydrophobicContact CG-CZ3 4.48Å; F144-W200 HydrophobicContact CZ-CZ3 4.09Å
145	L	98.8	Very high	95.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-100.3	-10.9	177.1	-67.1	172.5	0	0	0	112.4	M107 I110 G112 I117 Y140 P142 H143 V168	M107-L145 HydrophobicContact CE-CD2 3.64Å; M107-L145 HydrophobicContact CE-CG 4.35Å; I110-L145 HydrophobicContact CG2-CD2 4.02Å; G112-L145 PolarHBondContact N-O 3.29Å; I117-L145 HydrophobicContact CD1-CB 3.99Å; I117-L145 WeakPolarHBondContact CD1-O 3.4Å; I117-L145 HydrophobicContact CG1-CB 4.29Å; I117-L145 HydrophobicContact CG1-CD2 4.38Å; Y140-L145 HydrophobicContact CD2-CD1 4.05Å; P142-L145 PolarHBondContact O-N 2.76Å; P142-L145 VanDerWaalsContact O-N 3.11Å; H143-L145 VanDerWaalsContact C-N 3.27Å; H143-L145 PolarHBondContact O-N 3.22Å; L145-V168 HydrophobicContact CB-CG1 3.68Å; L145-V168 HydrophobicContact CB-CG2 4.02Å; L145-V168 HydrophobicContact CD1-CG1 3.9Å; L145-V168 HydrophobicContact CG-CG1 4.43Å
146	A	98.6	Very high	95.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.			trans	-88.2	159	179.1	0	0	0	0	0	112.4	P142 H143 V150 Q158 L163 P165 V168	P142-A146 PolarHBondContact O-N 2.63Å; H143-A146 PolarHBondContact O-N 3.27Å; A146-V150 HydrophobicContact CB-CG1 3.61Å; A146-Q158 PolarHBondContact O-OE1 2.72Å; A146-L163 WeakPolarHBondContact CA-O 3.35Å; A146-L163 VanDerWaalsContact CB-O 3.3Å; A146-L163 WeakPolarHBondContact CB-O 3.43Å; A146-P165 HydrophobicContact CB-CG 3.95Å; A146-V168 HydrophobicContact CB-CG2 3.94Å
147	N	97.8	Very high	95	Very high	15 Å²	15	41 Å²	41	8%	0.08	22%	0.219	C	C	.	.	S	Bend	trans	-133.2	14.9	174.4	68.4	-0.1	0	0	0	113.6	G112 I154 Q158 G161 D162 L163	G112-N147 WeakPolarHBondContact CA-ND2 3.48Å; N147-I154 HydrophobicContact CB-CG2 4.15Å; N147-Q158 HydrophobicContact CB-CB 4.33Å; N147-G161 PolarHBondContact O-N 2.93Å; N147-G161 WeakPolarHBondContact OD1-CA 3.2Å; N147-D162 PolarHBondContact OD1-N 3.45Å; N147-L163 PolarHBondContact N-O 3.22Å; N147-L163 WeakPolarHBondContact OD1-CB 3.15Å; N147-L163 PolarHBondContact OD1-N 2.91Å; N147-L163 VanDerWaalsContact OD1-N 3.1Å
148	C	96.8	Very high	94.7	Very high	19 Å²	19	42.5 Å²	42.5	13%	0.128	23%	0.226	C	C	.	.	S	Bend	trans	-139.1	146.5	177.1	-169.2	0	0	0	0	108.4	V150 G161 L163 T164 P165	C148-V150 PolarHBondContact O-N 2.9Å; C148-V150 VanDerWaalsContact O-N 3.14Å; C148-G161 WeakPolarHBondContact CB-O 3.37Å; C148-G161 PolarHBondContact SG-O 3.4Å; C148-G161 VanDerWaalsContact SG-O 3.41Å; C148-L163 WeakPolarHBondContact CB-O 3.18Å; C148-L163 PolarHBondContact N-O 3.21Å; C148-T164 HydrophobicContact CB-CG2 4.18Å; C148-P165 WeakPolarHBondContact O-CD 3.21Å
149	D	93.6	Very high	94.4	Very high	116 Å²	116	48.3 Å²	48.3	62%	0.62	26%	0.262	S	S	*	.	S	Bend	trans	56.5	25.5	176.6	-67.3	-23	0	0	0	116.8	T164	D149-T164 HydrophobicContact CB-CG2 4.31Å
150	V	92.6	Very high	94.2	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	30%	0.295	C	S	.	.	S	Bend	trans	-97.6	7.8	179.7	-69.7	0	0	0	0	114.3	H143 A146 C148 I154 P165 W200	H143-V150 HydrophobicContact CB-CG1 4.29Å; H143-V150 WeakPolarHBondContact O-CG1 3.42Å; A146-V150 HydrophobicContact CB-CG1 3.61Å; C148-V150 PolarHBondContact O-N 2.9Å; C148-V150 VanDerWaalsContact O-N 3.14Å; V150-I154 HydrophobicContact CG2-CB 4.21Å; V150-I154 HydrophobicContact CG2-CG1 4.09Å; V150-I154 HydrophobicContact CG2-CG2 3.98Å; V150-P165 HydrophobicContact CG1-CG 3.78Å; V150-W200 HydrophobicContact CB-CZ2 4.38Å; V150-W200 PolarHBondContact O-NE1 3.48Å
151	G	87.1	Confident	94.1	Very high	57 Å²	57	57 Å²	57	59%	0.588	31%	0.311	S	S	*	.			trans	94.3	-165.4	-179	0	0	0	0	0	114.2	N153	G151-N153 VanDerWaalsContact C-N 3.31Å; G151-N153 PolarHBondContact O-N 2.72Å
152	K	79.4	Confident	94	Very high	209 Å²	209	62.1 Å²	62.1	91%	0.909	34%	0.337	S	S	*	.	S	Bend	trans	-64.3	-30	-168.4	-70.2	-175.3	179.7	178.3	0	114.7
153	N	85.2	Confident	94	Very high	135 Å²	135	62.1 Å²	62.1	72%	0.722	34%	0.337	S	S	*	.	S	Bend	trans	-117.8	101.7	-178.1	-64.9	-29.2	0	0	0	108.3	G151	G151-N153 VanDerWaalsContact C-N 3.31Å; G151-N153 PolarHBondContact O-N 2.72Å
154	I	92.7	Very high	94	Very high	37 Å²	37	63.6 Å²	63.6	19%	0.19	35%	0.347	C	S	.	.			trans	-66.1	130.3	173.9	-52.5	-179.7	0	0	0	107.8	N147 V150 Q158 E160	N147-I154 HydrophobicContact CB-CG2 4.15Å; V150-I154 HydrophobicContact CG2-CB 4.21Å; V150-I154 HydrophobicContact CG2-CG1 4.09Å; V150-I154 HydrophobicContact CG2-CG2 3.98Å; I154-Q158 HydrophobicContact CG2-CB 3.79Å; I154-E160 VanDerWaalsContact CD1-CA 3.45Å; I154-E160 HydrophobicContact CD1-CB 3.69Å; I154-E160 HydrophobicContact CD1-CG 4.14Å
155	P	94.9	Very high	94	Very high	13 Å²	13	62.2 Å²	62.2	8%	0.084	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-52.3	155.2	-179.9	-31.5	39.4	0	0	0	113.8	F144 N157 Q158 W200	F144-P155 HydrophobicContact CD1-CB 3.95Å; F144-P155 HydrophobicContact CD1-CG 3.92Å; P155-N157 PolarHBondContact O-N 2.74Å; P155-Q158 VanDerWaalsContact O-CG 3.27Å; P155-Q158 WeakPolarHBondContact O-CG 3.34Å; P155-Q158 PolarHBondContact O-N 2.71Å; P155-Q158 VanDerWaalsContact O-N 3.07Å; P155-Q158 PolarHBondContact O-OE1 3.44Å; P155-W200 HydrophobicContact CG-CH2 4Å; P155-W200 HydrophobicContact CG-CZ2 4.39Å
156	W	95.3	Very high	94	Very high	61 Å²	61	65.3 Å²	65.3	23%	0.231	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	56.7	24.1	170.1	-35.2	112.9	0	0	0	115.6	F103 K104 M107 H108 F144 Q158	F103-W156 HydrophobicContact CB-CH2 4.04Å; F103-W156 HydrophobicContact CB-CZ3 4.39Å; K104-W156 HydrophobicContact CG-CZ3 4.15Å; M107-W156 HydrophobicContact CB-CD2 3.74Å; M107-W156 HydrophobicContact CB-CE3 4.09Å; M107-W156 HydrophobicContact CB-CG 4.29Å; M107-W156 HydrophobicContact CB-CH2 4.07Å; M107-W156 HydrophobicContact CB-CZ2 3.71Å; M107-W156 HydrophobicContact CB-CZ3 4.24Å; M107-W156 HydrophobicContact CE-CZ2 4.1Å; M107-W156 HydrophobicContact CG-CH2 4.18Å; M107-W156 HydrophobicContact CG-CZ2 3.94Å; H108-W156 HydrophobicContact CB-CB 3.78Å; F144-W156 HydrophobicContact CB-CZ2 3.99Å; F144-W156 HydrophobicContact CD1-CH2 4.41Å; F144-W156 AromaticContact CD1-CZ2 3.64Å; F144-W156 HydrophobicContact CD1-CZ2 3.64Å; F144-W156 HydrophobicContact CE1-CZ2 4.23Å; F144-W156 AromaticContact CG-CZ2 3.83Å; F144-W156 HydrophobicContact CG-CZ2 3.83Å; F144-W156 PolarHBondContact O-NE1 2.76Å; W156-Q158 HydrophobicContact CB-CG 4.3Å; W156-Q158 PolarHBondContact O-N 2.87Å
157	N	92	Very high	94.1	Very high	164 Å²	164	66.9 Å²	66.9	88%	0.877	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	56.5	32.7	-176.1	-57.1	-12.8	0	0	0	113.2	P155	P155-N157 PolarHBondContact O-N 2.74Å
158	Q	92.4	Very high	94.1	Very high	33 Å²	33	66.1 Å²	66.1	15%	0.154	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-68.8	155	177.2	-65.3	172.6	-74.7	0	0	111.5	A111 A146 N147 I154 P155 W156	A111-Q158 VanDerWaalsContact CB-NE2 3.34Å; A111-Q158 PolarHBondContact O-NE2 3.34Å; A146-Q158 PolarHBondContact O-OE1 2.72Å; N147-Q158 HydrophobicContact CB-CB 4.33Å; I154-Q158 HydrophobicContact CG2-CB 3.79Å; P155-Q158 VanDerWaalsContact O-CG 3.27Å; P155-Q158 WeakPolarHBondContact O-CG 3.34Å; P155-Q158 PolarHBondContact O-N 2.71Å; P155-Q158 VanDerWaalsContact O-N 3.07Å; P155-Q158 PolarHBondContact O-OE1 3.44Å; W156-Q158 HydrophobicContact CB-CG 4.3Å; W156-Q158 PolarHBondContact O-N 2.87Å
159	T	92.3	Very high	94.2	Very high	122 Å²	122	65.2 Å²	65.2	75%	0.748	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-78.4	149.7	164	48.4	0	0	0	0	109.3	G161	T159-G161 PolarHBondContact O-N 3.03Å
160	E	95.4	Very high	94.5	Very high	152 Å²	152	64 Å²	64	71%	0.71	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-58.5	124.1	175	-170.4	172.4	-171	0	0	110	I154	I154-E160 VanDerWaalsContact CD1-CA 3.45Å; I154-E160 HydrophobicContact CD1-CB 3.69Å; I154-E160 HydrophobicContact CD1-CG 4.14Å
161	G	96.3	Very high	94.8	Very high	31 Å²	31	64.3 Å²	64.3	32%	0.32	34%	0.343	S	S	.	.			trans	-118.4	-149.2	176.9	0	0	0	0	0	111.1	N147 C148 T159	N147-G161 PolarHBondContact O-N 2.93Å; N147-G161 WeakPolarHBondContact OD1-CA 3.2Å; C148-G161 WeakPolarHBondContact CB-O 3.37Å; C148-G161 PolarHBondContact SG-O 3.4Å; C148-G161 VanDerWaalsContact SG-O 3.41Å; T159-G161 PolarHBondContact O-N 3.03Å
162	D	97.8	Very high	95.3	Very high	108 Å²	108	61.6 Å²	61.6	58%	0.578	32%	0.315	S	S	*	.	S	Bend	trans	-126	10.7	-177.1	64.6	1.2	0	0	0	112.7	R114 N147	R114-D162 IonicContact CZ-OD1 3.23Å; R114-D162 VanDerWaalsContact CZ-OD1 3.26Å; R114-D162 IonicContact NH1-OD1 2.9Å; R114-D162 PolarHBondContact NH1-OD1 3.32Å; R114-D162 IonicContact NH1-OD2 3.74Å; R114-D162 VanDerWaalsContact NH2-CG 3.35Å; R114-D162 PolarHBondContact NH2-O 2.96Å; R114-D162 IonicContact NH2-OD1 3.54Å; R114-D162 PolarHBondContact NH2-OD1 2.97Å; R114-D162 IonicContact NH2-OD2 3.64Å; N147-D162 PolarHBondContact OD1-N 3.45Å
163	L	98.7	Very high	96.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.			trans	-98.3	106.7	-179.3	-178.2	58.7	0	0	0	110.5	R114 I117 A146 N147 C148 E167 V168 L171	R114-L163 HydrophobicContact CG-CD1 4.01Å; R114-L163 HydrophobicContact CG-CD2 4.22Å; I117-L163 HydrophobicContact CD1-CD2 3.46Å; I117-L163 VanDerWaalsContact CD1-CD2 3.46Å; A146-L163 WeakPolarHBondContact CA-O 3.35Å; A146-L163 VanDerWaalsContact CB-O 3.3Å; A146-L163 WeakPolarHBondContact CB-O 3.43Å; N147-L163 PolarHBondContact N-O 3.22Å; N147-L163 WeakPolarHBondContact OD1-CB 3.15Å; N147-L163 PolarHBondContact OD1-N 2.91Å; N147-L163 VanDerWaalsContact OD1-N 3.1Å; C148-L163 WeakPolarHBondContact CB-O 3.18Å; C148-L163 PolarHBondContact N-O 3.21Å; L163-E167 HydrophobicContact CD1-CB 3.72Å; L163-E167 HydrophobicContact CD1-CG 3.46Å; L163-E167 VanDerWaalsContact CD1-CG 3.46Å; L163-E167 WeakPolarHBondContact CD1-OE2 3.44Å; L163-V168 HydrophobicContact CD1-CG2 4.31Å; L163-V168 HydrophobicContact CD2-CG2 4.24Å; L163-V168 HydrophobicContact CG-CG2 4.04Å; L163-L171 HydrophobicContact CD1-CD1 3.93Å
164	T	98.8	Very high	96.9	Very high	31 Å²	31	49.1 Å²	49.1	19%	0.19	26%	0.256	C	S	.	.			trans	-86.8	161.5	-178.6	65	0	0	0	0	112.4	C148 D149 D166 E167 V168	C148-T164 HydrophobicContact CB-CG2 4.18Å; D149-T164 HydrophobicContact CB-CG2 4.31Å; T164-D166 VanDerWaalsContact C-N 3.26Å; T164-D166 PolarHBondContact O-N 3.16Å; T164-E167 PolarHBondContact O-N 3.44Å; T164-E167 PolarHBondContact OG1-N 3.21Å; T164-V168 WeakPolarHBondContact O-CG2 3.07Å; T164-V168 PolarHBondContact O-N 3.48Å
165	P	98.8	Very high	97.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-38	173.2	-26.7	36.2	0	0	0	113.4	P142 A146 C148 V150 V168 V169 L207	P142-P165 HydrophobicContact CB-CB 4.11Å; P142-P165 HydrophobicContact CG-CB 4.48Å; A146-P165 HydrophobicContact CB-CG 3.95Å; C148-P165 WeakPolarHBondContact O-CD 3.21Å; V150-P165 HydrophobicContact CG1-CG 3.78Å; P165-V168 WeakPolarHBondContact O-CB 3.35Å; P165-V168 PolarHBondContact O-N 2.93Å; P165-V169 WeakPolarHBondContact O-CG2 3.1Å; P165-V169 PolarHBondContact O-N 3.49Å; P165-V169 VanDerWaalsContact O-N 3.11Å; P165-L207 HydrophobicContact CB-CD1 4.09Å
166	D	98.8	Very high	97.4	Very high	64 Å²	64	46.9 Å²	46.9	34%	0.342	24%	0.243	S	C	.	.	H	α-helix	trans	-56.6	-50.2	173.8	174.2	-96.5	0	0	0	112.1	T164 V168 V169 R170 L207 Y211	T164-D166 VanDerWaalsContact C-N 3.26Å; T164-D166 PolarHBondContact O-N 3.16Å; D166-V168 VanDerWaalsContact C-N 3.31Å; D166-V168 PolarHBondContact O-N 3.3Å; D166-V169 PolarHBondContact O-N 3.38Å; D166-V169 VanDerWaalsContact O-N 3.13Å; D166-R170 PolarHBondContact O-N 2.82Å; D166-R170 VanDerWaalsContact O-N 3.13Å; D166-L207 HydrophobicContact CB-CD2 3.86Å; D166-Y211 PolarHBondContact O-OH 2.85Å; D166-Y211 PolarHBondContact OD1-OH 3.19Å; D166-Y211 WeakPolarHBondContact OD2-CE2 3.37Å; D166-Y211 PolarHBondContact OD2-OH 3.13Å
167	E	98.8	Very high	97.6	Very high	33 Å²	33	46.4 Å²	46.4	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-33.4	-179.5	-180	173	-160.5	0	0	112.1	R114 L163 T164 V169 R170 L171	R114-E167 WeakPolarHBondContact CD-OE1 3.32Å; R114-E167 IonicContact CZ-OE1 3.45Å; R114-E167 IonicContact CZ-OE2 3.6Å; R114-E167 IonicContact NE-OE1 3.85Å; R114-E167 PolarHBondContact NE-OE1 3.07Å; R114-E167 IonicContact NE-OE2 3.72Å; R114-E167 PolarHBondContact NE-OE2 3.31Å; R114-E167 VanDerWaalsContact NE-OE2 3.13Å; R114-E167 IonicContact NH2-OE1 2.81Å; R114-E167 IonicContact NH2-OE2 2.74Å; R114-E167 PolarHBondContact NH2-OE2 3.31Å; L163-E167 HydrophobicContact CD1-CB 3.72Å; L163-E167 HydrophobicContact CD1-CG 3.46Å; L163-E167 VanDerWaalsContact CD1-CG 3.46Å; L163-E167 WeakPolarHBondContact CD1-OE2 3.44Å; T164-E167 PolarHBondContact O-N 3.44Å; T164-E167 PolarHBondContact OG1-N 3.21Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 2.87Å; E167-R170 PolarHBondContact O-N 2.9Å; E167-R170 IonicContact OE1-NH2 3.84Å; E167-R170 PolarHBondContact OE1-NH2 2.84Å; E167-L171 HydrophobicContact CG-CD1 4Å; E167-L171 HydrophobicContact CG-CG 4.31Å; E167-L171 VanDerWaalsContact O-CG 3.28Å; E167-L171 WeakPolarHBondContact O-CG 3.36Å; E167-L171 PolarHBondContact O-N 3.02Å
168	V	98.9	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.6	-48.4	170.7	172.3	0	0	0	0	110.6	I117 Y140 P142 L145 A146 L163 T164 P165 D166 R170 L171 V172	I117-V168 HydrophobicContact CD1-CG2 4.23Å; I117-V168 HydrophobicContact CG2-CG1 4.22Å; Y140-V168 HydrophobicContact CE2-CG1 4.01Å; P142-V168 HydrophobicContact CB-CB 4.31Å; P142-V168 HydrophobicContact CB-CG1 4.14Å; L145-V168 HydrophobicContact CB-CG1 3.68Å; L145-V168 HydrophobicContact CB-CG2 4.02Å; L145-V168 HydrophobicContact CD1-CG1 3.9Å; L145-V168 HydrophobicContact CG-CG1 4.43Å; A146-V168 HydrophobicContact CB-CG2 3.94Å; L163-V168 HydrophobicContact CD1-CG2 4.31Å; L163-V168 HydrophobicContact CD2-CG2 4.24Å; L163-V168 HydrophobicContact CG-CG2 4.04Å; T164-V168 WeakPolarHBondContact O-CG2 3.07Å; T164-V168 PolarHBondContact O-N 3.48Å; P165-V168 WeakPolarHBondContact O-CB 3.35Å; P165-V168 PolarHBondContact O-N 2.93Å; D166-V168 VanDerWaalsContact C-N 3.31Å; D166-V168 PolarHBondContact O-N 3.3Å; V168-R170 VanDerWaalsContact C-N 3.31Å; V168-R170 PolarHBondContact O-N 3.45Å; V168-L171 PolarHBondContact O-N 2.9Å; V168-V172 HydrophobicContact CG1-CG2 4.34Å; V168-V172 WeakPolarHBondContact O-CG2 3.48Å; V168-V172 PolarHBondContact O-N 3.41Å
169	V	98.9	Very high	98.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-44.3	-179.7	177.8	0	0	0	0	110.9	Y140 P142 P165 D166 E167 L171 V172 N173 L191 L207 Y211 V216	Y140-V169 WeakPolarHBondContact OH-CA 3.22Å; P142-V169 HydrophobicContact CB-CG2 3.71Å; P142-V169 HydrophobicContact CG-CG2 4.09Å; P165-V169 WeakPolarHBondContact O-CG2 3.1Å; P165-V169 PolarHBondContact O-N 3.49Å; P165-V169 VanDerWaalsContact O-N 3.11Å; D166-V169 PolarHBondContact O-N 3.38Å; D166-V169 VanDerWaalsContact O-N 3.13Å; E167-V169 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 2.87Å; V169-L171 PolarHBondContact O-N 2.89Å; V169-V172 PolarHBondContact O-N 3.01Å; V169-N173 WeakPolarHBondContact O-CB 3.5Å; V169-N173 VanDerWaalsContact O-CG 3.24Å; V169-N173 PolarHBondContact O-N 3.36Å; V169-N173 PolarHBondContact O-ND2 3.16Å; V169-L191 HydrophobicContact CG1-CD1 4.4Å; V169-L191 HydrophobicContact CG1-CD2 4.46Å; V169-L191 HydrophobicContact CG2-CD1 3.84Å; V169-L191 HydrophobicContact CG2-CD2 3.91Å; V169-L207 HydrophobicContact CG2-CD1 4.12Å; V169-Y211 HydrophobicContact CB-CD2 4.05Å; V169-Y211 HydrophobicContact CB-CE2 4Å; V169-Y211 HydrophobicContact CB-CG 4.47Å; V169-Y211 HydrophobicContact CG1-CD1 3.95Å; V169-Y211 HydrophobicContact CG1-CD2 3.46Å; V169-Y211 VanDerWaalsContact CG1-CD2 3.46Å; V169-Y211 HydrophobicContact CG1-CE1 4.33Å; V169-Y211 HydrophobicContact CG1-CE2 3.9Å; V169-Y211 HydrophobicContact CG1-CG 3.5Å; V169-V216 HydrophobicContact CG1-CG2 3.79Å
170	R	98.9	Very high	98.5	Very high	90 Å²	90	37 Å²	37	34%	0.34	19%	0.191	S	C	.	.	H	α-helix	trans	-57.4	-48.4	174.9	-175	-176.6	62.4	79.3	-2.2	112.1	D166 E167 V168 N173 E174 Y211	D166-R170 PolarHBondContact O-N 2.82Å; D166-R170 VanDerWaalsContact O-N 3.13Å; E167-R170 PolarHBondContact O-N 2.9Å; E167-R170 IonicContact OE1-NH2 3.84Å; E167-R170 PolarHBondContact OE1-NH2 2.84Å; V168-R170 VanDerWaalsContact C-N 3.31Å; V168-R170 PolarHBondContact O-N 3.45Å; R170-N173 PolarHBondContact O-N 2.66Å; R170-E174 IonicContact CZ-OE1 3.03Å; R170-E174 IonicContact NH1-OE1 3.01Å; R170-E174 PolarHBondContact NH1-OE1 3.24Å; R170-E174 IonicContact NH1-OE2 3.6Å; R170-E174 WeakPolarHBondContact O-CG 3.5Å; R170-E174 PolarHBondContact O-N 3.07Å; R170-Y211 HydrophobicContact CB-CE1 4.14Å
171	L	98.9	Very high	98.6	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.058	18%	0.182	C	C	.	.	H	α-helix	trans	-65.3	-40.7	-178	-71.6	165.9	0	0	0	112.8	R114 I117 K118 L163 E167 V168 V169 E174 G175	R114-L171 HydrophobicContact CB-CD1 3.82Å; R114-L171 HydrophobicContact CB-CD2 4.38Å; R114-L171 HydrophobicContact CG-CD1 3.83Å; I117-L171 HydrophobicContact CG2-CB 3.94Å; K118-L171 HydrophobicContact CB-CD2 4.45Å; L163-L171 HydrophobicContact CD1-CD1 3.93Å; E167-L171 HydrophobicContact CG-CD1 4Å; E167-L171 HydrophobicContact CG-CG 4.31Å; E167-L171 VanDerWaalsContact O-CG 3.28Å; E167-L171 WeakPolarHBondContact O-CG 3.36Å; E167-L171 PolarHBondContact O-N 3.02Å; V168-L171 PolarHBondContact O-N 2.9Å; V169-L171 PolarHBondContact O-N 2.89Å; L171-E174 PolarHBondContact O-N 3.38Å; L171-G175 PolarHBondContact O-N 2.92Å
172	V	98.9	Very high	98.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-47.6	175	172.3	0	0	0	0	110	L56 I117 A121 Y140 V168 V169 E174 G175 L176	L56-V172 HydrophobicContact CD2-CG1 3.79Å; L56-V172 HydrophobicContact CD2-CG2 3.92Å; I117-V172 HydrophobicContact CG2-CG2 3.7Å; A121-V172 HydrophobicContact CB-CB 4.42Å; A121-V172 HydrophobicContact CB-CG1 4.02Å; Y140-V172 HydrophobicContact CD1-CG1 4.36Å; Y140-V172 HydrophobicContact CE1-CB 4.17Å; Y140-V172 HydrophobicContact CE1-CG1 3.56Å; Y140-V172 HydrophobicContact CE1-CG2 4.3Å; Y140-V172 HydrophobicContact CE2-CB 4.45Å; Y140-V172 HydrophobicContact CE2-CG2 3.97Å; Y140-V172 WeakPolarHBondContact OH-CB 3.37Å; V168-V172 HydrophobicContact CG1-CG2 4.34Å; V168-V172 WeakPolarHBondContact O-CG2 3.48Å; V168-V172 PolarHBondContact O-N 3.41Å; V169-V172 PolarHBondContact O-N 3.01Å; V172-E174 VanDerWaalsContact C-N 3.29Å; V172-E174 PolarHBondContact O-N 3.44Å; V172-G175 PolarHBondContact O-N 3.29Å; V172-G175 VanDerWaalsContact O-N 3.11Å; V172-L176 HydrophobicContact CG1-CD1 3.91Å; V172-L176 HydrophobicContact CG1-CG 4.07Å; V172-L176 WeakPolarHBondContact O-CG 3.37Å; V172-L176 PolarHBondContact O-N 3.08Å
173	N	98.8	Very high	98.8	Very high	17 Å²	17	34.8 Å²	34.8	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-38.9	178.1	-72.1	-16.9	0	0	0	112.3	V169 R170 S177 S189 A214	V169-N173 WeakPolarHBondContact O-CB 3.5Å; V169-N173 VanDerWaalsContact O-CG 3.24Å; V169-N173 PolarHBondContact O-N 3.36Å; V169-N173 PolarHBondContact O-ND2 3.16Å; R170-N173 PolarHBondContact O-N 2.66Å; N173-S177 WeakPolarHBondContact O-CB 3.26Å; N173-S177 PolarHBondContact O-N 3.16Å; N173-S189 PolarHBondContact OD1-OG 2.98Å; N173-A214 VanDerWaalsContact CG-O 3.32Å; N173-A214 PolarHBondContact ND2-O 3.31Å
174	E	98.8	Very high	98.8	Very high	64 Å²	64	43 Å²	43	30%	0.299	21%	0.207	S	C	.	.	H	α-helix	trans	-61	-48.1	172.8	-76.3	178.5	-158.2	0	0	112.2	K118 R170 L171 V172 S177 E178	K118-E174 HydrophobicContact CD-CB 4.27Å; K118-E174 IonicContact NZ-OE2 2.83Å; K118-E174 PolarHBondContact NZ-OE2 3.05Å; R170-E174 IonicContact CZ-OE1 3.03Å; R170-E174 IonicContact NH1-OE1 3.01Å; R170-E174 PolarHBondContact NH1-OE1 3.24Å; R170-E174 IonicContact NH1-OE2 3.6Å; R170-E174 WeakPolarHBondContact O-CG 3.5Å; R170-E174 PolarHBondContact O-N 3.07Å; L171-E174 PolarHBondContact O-N 3.38Å; V172-E174 VanDerWaalsContact C-N 3.29Å; V172-E174 PolarHBondContact O-N 3.44Å; E174-S177 PolarHBondContact O-N 2.96Å; E174-E178 WeakPolarHBondContact O-CB 3.47Å; E174-E178 WeakPolarHBondContact O-CG 3.45Å; E174-E178 PolarHBondContact O-N 3.36Å
175	G	98.9	Very high	98.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-44.8	178.5	0	0	0	0	0	112.5	Y122 L171 V172 S177 E178 G179	Y122-G175 WeakPolarHBondContact CA-O 3.46Å; L171-G175 PolarHBondContact O-N 2.92Å; V172-G175 PolarHBondContact O-N 3.29Å; V172-G175 VanDerWaalsContact O-N 3.11Å; G175-S177 PolarHBondContact O-N 3.47Å; G175-E178 PolarHBondContact O-N 3.45Å; G175-G179 PolarHBondContact O-N 3.18Å
176	L	98.9	Very high	98.8	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-44	175.1	-66.1	-179.4	0	0	0	111.5	A121 F124 V125 V138 V172 G179 E180 A187	A121-L176 HydrophobicContact CB-CD2 4.15Å; A121-L176 HydrophobicContact CB-CG 4.19Å; F124-L176 HydrophobicContact CD1-CD2 4.05Å; V125-L176 HydrophobicContact CG2-CD2 3.67Å; V138-L176 HydrophobicContact CG1-CD1 3.83Å; V138-L176 HydrophobicContact CG1-CD2 4.04Å; V172-L176 HydrophobicContact CG1-CD1 3.91Å; V172-L176 HydrophobicContact CG1-CG 4.07Å; V172-L176 WeakPolarHBondContact O-CG 3.37Å; V172-L176 PolarHBondContact O-N 3.08Å; L176-G179 PolarHBondContact O-N 3.38Å; L176-E180 WeakPolarHBondContact O-CB 3.48Å; L176-E180 PolarHBondContact O-N 2.96Å; L176-A187 HydrophobicContact CB-CB 4.33Å; L176-A187 HydrophobicContact CD2-CB 4.26Å
177	S	98.7	Very high	98.8	Very high	51 Å²	51	41 Å²	41	36%	0.357	19%	0.194	S	C	.	.	H	α-helix	trans	-65.8	-39.9	179.2	-172.1	0	0	0	0	112.4	N173 E174 G175 R181	N173-S177 WeakPolarHBondContact O-CB 3.26Å; N173-S177 PolarHBondContact O-N 3.16Å; E174-S177 PolarHBondContact O-N 2.96Å; G175-S177 PolarHBondContact O-N 3.47Å; S177-R181 WeakPolarHBondContact O-CG 3.39Å; S177-R181 PolarHBondContact O-N 3.44Å; S177-R181 PolarHBondContact O-NH1 2.83Å; S177-R181 PolarHBondContact OG-NH1 3.19Å
178	E	98.8	Very high	98.8	Very high	70 Å²	70	41.1 Å²	41.1	33%	0.327	19%	0.193	S	C	.	.	H	α-helix	trans	-63.2	-43.7	172.5	-76.5	172.9	-165.2	0	0	111.5	K118 Y122 E174 G175 R181 A182	K118-E178 WeakPolarHBondContact CE-OE1 3.47Å; K118-E178 WeakPolarHBondContact CE-OE2 3.37Å; K118-E178 IonicContact NZ-OE1 2.7Å; K118-E178 PolarHBondContact NZ-OE1 2.99Å; K118-E178 IonicContact NZ-OE2 3.69Å; Y122-E178 HydrophobicContact CD2-CB 3.73Å; Y122-E178 HydrophobicContact CE2-CB 4.16Å; E174-E178 WeakPolarHBondContact O-CB 3.47Å; E174-E178 WeakPolarHBondContact O-CG 3.45Å; E174-E178 PolarHBondContact O-N 3.36Å; G175-E178 PolarHBondContact O-N 3.45Å; E178-R181 PolarHBondContact O-N 3.48Å; E178-A182 WeakPolarHBondContact O-CB 3.43Å; E178-A182 PolarHBondContact O-N 3Å
179	G	98.9	Very high	98.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-46.9	175.3	0	0	0	0	0	112.7	V125 G175 L176 R181 A182 F183	V125-G179 VanDerWaalsContact CG1-C 3.44Å; G175-G179 PolarHBondContact O-N 3.18Å; L176-G179 PolarHBondContact O-N 3.38Å; G179-R181 VanDerWaalsContact C-N 3.27Å; G179-R181 PolarHBondContact O-N 3.43Å; G179-A182 PolarHBondContact O-N 3.38Å; G179-A182 VanDerWaalsContact O-N 3.07Å; G179-F183 WeakPolarHBondContact O-CD2 3.24Å; G179-F183 PolarHBondContact O-N 3.47Å
180	E	98.6	Very high	98.8	Very high	50 Å²	50	41.1 Å²	41.1	23%	0.234	19%	0.193	C	C	.	.	H	α-helix	trans	-56.7	-43.4	179.1	164.3	162.1	174	0	0	110.6	L176 K184 I185 K186 A187 R188	L176-E180 WeakPolarHBondContact O-CB 3.48Å; L176-E180 PolarHBondContact O-N 2.96Å; E180-K184 WeakPolarHBondContact O-CA 3.41Å; E180-K184 PolarHBondContact O-N 3.17Å; E180-I185 VanDerWaalsContact CA-O 3.23Å; E180-I185 WeakPolarHBondContact CA-O 3.17Å; E180-I185 VanDerWaalsContact CB-O 3.24Å; E180-I185 WeakPolarHBondContact CB-O 3.46Å; E180-I185 WeakPolarHBondContact CG-O 3.45Å; E180-K186 IonicContact OE1-NZ 2.81Å; E180-A187 PolarHBondContact OE2-N 3.34Å; E180-R188 IonicContact OE2-CZ 3.82Å; E180-R188 IonicContact OE2-NH1 2.85Å; E180-R188 PolarHBondContact OE2-NH1 3.17Å
181	R	98.6	Very high	98.8	Very high	138 Å²	138	36.8 Å²	36.8	52%	0.521	18%	0.177	S	C	.	.	H	α-helix	trans	-65.2	-41.5	176	-72.2	-171.3	-63	-89.8	3.2	113	S177 E178 G179 K184	S177-R181 WeakPolarHBondContact O-CG 3.39Å; S177-R181 PolarHBondContact O-N 3.44Å; S177-R181 PolarHBondContact O-NH1 2.83Å; S177-R181 PolarHBondContact OG-NH1 3.19Å; E178-R181 PolarHBondContact O-N 3.48Å; G179-R181 VanDerWaalsContact C-N 3.27Å; G179-R181 PolarHBondContact O-N 3.43Å; R181-K184 WeakPolarHBondContact O-CE 3.45Å; R181-K184 PolarHBondContact O-NZ 3.47Å
182	A	98.8	Very high	98.8	Very high	51 Å²	51	36.3 Å²	36.3	42%	0.421	17%	0.174	S	C	.	.	H	α-helix	trans	-72.8	-43.8	-175.9	0	0	0	0	0	112.3	Y122 E178 G179	Y122-A182 HydrophobicContact CE2-CB 4.04Å; E178-A182 WeakPolarHBondContact O-CB 3.43Å; E178-A182 PolarHBondContact O-N 3Å; G179-A182 PolarHBondContact O-N 3.38Å; G179-A182 VanDerWaalsContact O-N 3.07Å
183	F	98.7	Very high	98.7	Very high	57 Å²	57	36.3 Å²	36.3	25%	0.25	17%	0.174	C	C	.	.	H	α-helix	trans	-107.3	-2.8	-168.9	-52.9	-65	0	0	0	114.3	Y122 V125 E126 A129 G179 I185	Y122-F183 HydrophobicContact CD1-CE2 4.39Å; Y122-F183 AromaticContact CE1-CE2 3.77Å; Y122-F183 HydrophobicContact CE1-CE2 3.77Å; Y122-F183 AromaticContact CE1-CZ 3.79Å; Y122-F183 HydrophobicContact CE1-CZ 3.79Å; Y122-F183 AromaticContact CE2-CE2 3.96Å; Y122-F183 HydrophobicContact CE2-CE2 3.96Å; Y122-F183 HydrophobicContact CE2-CZ 4.48Å; Y122-F183 AromaticContact CZ-CE2 3.53Å; Y122-F183 AromaticContact CZ-CZ 3.64Å; Y122-F183 WeakPolarHBondContact OH-CZ 3.46Å; V125-F183 HydrophobicContact CB-CD2 4.41Å; V125-F183 HydrophobicContact CG1-CD2 4.18Å; E126-F183 HydrophobicContact CB-CD1 4.39Å; E126-F183 HydrophobicContact CB-CD2 3.9Å; E126-F183 HydrophobicContact CB-CE1 3.95Å; E126-F183 HydrophobicContact CB-CE2 3.4Å; E126-F183 VanDerWaalsContact CB-CE2 3.4Å; E126-F183 HydrophobicContact CB-CG 4.37Å; E126-F183 HydrophobicContact CB-CZ 3.42Å; E126-F183 VanDerWaalsContact CB-CZ 3.42Å; E126-F183 HydrophobicContact CG-CD1 4.14Å; E126-F183 HydrophobicContact CG-CE1 3.53Å; E126-F183 HydrophobicContact CG-CE2 3.97Å; E126-F183 HydrophobicContact CG-CZ 3.43Å; E126-F183 VanDerWaalsContact CG-CZ 3.43Å; A129-F183 HydrophobicContact CB-CB 3.75Å; A129-F183 HydrophobicContact CB-CG 4.49Å; G179-F183 WeakPolarHBondContact O-CD2 3.24Å; G179-F183 PolarHBondContact O-N 3.47Å; F183-I185 VanDerWaalsContact C-N 3.31Å; F183-I185 PolarHBondContact O-N 3.12Å
184	K	98.2	Very high	98.6	Very high	171 Å²	171	36.3 Å²	36.3	74%	0.743	17%	0.174	S	C	*	.			trans	61.2	35.3	173.7	-50.4	-55.5	-175.7	-163.3	0	114	E180 R181	E180-K184 WeakPolarHBondContact O-CA 3.41Å; E180-K184 PolarHBondContact O-N 3.17Å; R181-K184 WeakPolarHBondContact O-CE 3.45Å; R181-K184 PolarHBondContact O-NZ 3.47Å
185	I	98.3	Very high	98.3	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.062	16%	0.16	C	C	.	.			trans	-120.9	151.3	170.6	75.1	163.4	0	0	0	108.7	V125 K128 A129 V133 E180 F183	V125-I185 HydrophobicContact CG1-CD1 3.73Å; V125-I185 HydrophobicContact CG1-CG1 3.44Å; V125-I185 VanDerWaalsContact CG1-CG1 3.44Å; V125-I185 WeakPolarHBondContact O-CD1 3.27Å; K128-I185 HydrophobicContact CB-CD1 3.97Å; A129-I185 HydrophobicContact CB-CD1 4.12Å; A129-I185 HydrophobicContact CB-CG1 4.41Å; A129-I185 HydrophobicContact CB-CG2 3.78Å; V133-I185 WeakPolarHBondContact O-CG2 3.21Å; E180-I185 VanDerWaalsContact CA-O 3.23Å; E180-I185 WeakPolarHBondContact CA-O 3.17Å; E180-I185 VanDerWaalsContact CB-O 3.24Å; E180-I185 WeakPolarHBondContact CB-O 3.46Å; E180-I185 WeakPolarHBondContact CG-O 3.45Å; F183-I185 VanDerWaalsContact C-N 3.31Å; F183-I185 PolarHBondContact O-N 3.12Å
186	K	98.8	Very high	98	Very high	38 Å²	38	37.2 Å²	37.2	17%	0.165	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.8	179.8	-175.8	-178.9	-64.8	-75	0	110.4	I134 Y135 V136 E180 L374 E378	I134-K186 PolarHBondContact O-N 3.45Å; Y135-K186 VanDerWaalsContact CA-O 3.28Å; Y135-K186 WeakPolarHBondContact CA-O 3.38Å; Y135-K186 HydrophobicContact CD2-CB 3.88Å; Y135-K186 HydrophobicContact CD2-CD 3.88Å; Y135-K186 HydrophobicContact CD2-CG 3.79Å; Y135-K186 WeakPolarHBondContact CD2-O 3.38Å; Y135-K186 HydrophobicContact CE2-CD 4.09Å; Y135-K186 HydrophobicContact CE2-CG 4.11Å; V136-K186 PolarHBondContact N-O 2.8Å; E180-K186 IonicContact OE1-NZ 2.81Å; K186-L374 HydrophobicContact CD-CD1 3.97Å; K186-L374 HydrophobicContact CD-CD2 3.77Å; K186-E378 WeakPolarHBondContact CE-OE2 3.4Å; K186-E378 IonicContact NZ-OE2 3.98Å; K186-E378 PolarHBondContact NZ-OE2 3.28Å
187	A	98.8	Very high	97.8	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.033	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.3	179.9	0	0	0	0	0	111.2	V125 V136 L176 E180	V125-A187 HydrophobicContact CG2-CB 3.86Å; V136-A187 HydrophobicContact CG1-CB 3.88Å; V136-A187 WeakPolarHBondContact O-CA 3.32Å; L176-A187 HydrophobicContact CB-CB 4.33Å; L176-A187 HydrophobicContact CD2-CB 4.26Å; E180-A187 PolarHBondContact OE2-N 3.34Å
188	R	98.9	Very high	97.5	Very high	35 Å²	35	38.1 Å²	38.1	13%	0.132	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	159.5	174.8	-63.4	-66.7	175.3	-91.2	1.1	109.5	Y135 V136 E137 V138 E180 G215 V217 L374 E378	Y135-R188 HydrophobicContact CE2-CB 4.35Å; Y135-R188 HydrophobicContact CE2-CG 3.84Å; V136-R188 PolarHBondContact O-N 3.04Å; E137-R188 WeakPolarHBondContact CA-O 3.47Å; E137-R188 HydrophobicContact CG-CB 4.41Å; V138-R188 PolarHBondContact N-O 2.91Å; E180-R188 IonicContact OE2-CZ 3.82Å; E180-R188 IonicContact OE2-NH1 2.85Å; E180-R188 PolarHBondContact OE2-NH1 3.17Å; R188-G215 WeakPolarHBondContact CA-O 3.29Å; R188-V217 HydrophobicContact CB-CB 4.44Å; R188-V217 HydrophobicContact CB-CG1 3.71Å; R188-V217 HydrophobicContact CB-CG2 3.83Å; R188-V217 HydrophobicContact CG-CG1 3.76Å; R188-L374 HydrophobicContact CG-CD2 4.01Å; R188-E378 IonicContact CZ-OE2 3.74Å; R188-E378 IonicContact NH2-OE2 3.92Å; R188-E378 PolarHBondContact NH2-OE2 3.05Å
189	S	98.9	Very high	97.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.3	-179.5	56.4	0	0	0	0	113.3	V138 N173 G215 V216 V217	V138-S189 CarbonylContact O-C 3.58Å; V138-S189 WeakPolarHBondContact O-CA 3.37Å; N173-S189 PolarHBondContact OD1-OG 2.98Å; S189-G215 PolarHBondContact N-O 2.85Å; S189-G215 PolarHBondContact OG-O 3.48Å; S189-V216 CarbonylContact O-C 3.58Å; S189-V216 WeakPolarHBondContact O-CA 3.35Å; S189-V216 WeakPolarHBondContact OG-CG2 3.39Å; S189-V217 PolarHBondContact O-N 3.33Å
190	I	99	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.5	171.6	-63.3	179.8	0	0	0	107.8	E137 V138 R139 Y140 V217 A218 D220 T250 F373	E137-I190 HydrophobicContact CB-CD1 3.97Å; E137-I190 HydrophobicContact CB-CG1 4.37Å; V138-I190 PolarHBondContact O-N 2.78Å; R139-I190 VanDerWaalsContact CA-O 3.27Å; R139-I190 WeakPolarHBondContact CA-O 3.45Å; R139-I190 HydrophobicContact CB-CB 3.94Å; R139-I190 HydrophobicContact CB-CG2 4.25Å; Y140-I190 PolarHBondContact N-O 3.43Å; I190-V217 HydrophobicContact CG1-CG2 4.07Å; I190-A218 WeakPolarHBondContact CA-O 3.46Å; I190-A218 HydrophobicContact CB-CB 4.46Å; I190-A218 HydrophobicContact CD1-CB 4.04Å; I190-A218 HydrophobicContact CG1-CB 3.8Å; I190-A218 HydrophobicContact CG2-CB 4.11Å; I190-D220 HydrophobicContact CG2-CB 3.61Å; I190-T250 HydrophobicContact CD1-CG2 4.25Å; I190-T250 HydrophobicContact CG2-CG2 4.27Å; I190-F373 HydrophobicContact CD1-CD2 4.14Å; I190-F373 HydrophobicContact CD1-CE2 4.25Å
191	L	98.9	Very high	97	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.7	179.8	-53.2	-176.7	0	0	0	110.4	Y140 V169 V204 L207 V216 A218 I219 D220	Y140-L191 HydrophobicContact CE1-CD2 3.92Å; Y140-L191 HydrophobicContact CE2-CD2 4.02Å; Y140-L191 WeakPolarHBondContact OH-CD2 3.37Å; V169-L191 HydrophobicContact CG1-CD1 4.4Å; V169-L191 HydrophobicContact CG1-CD2 4.46Å; V169-L191 HydrophobicContact CG2-CD1 3.84Å; V169-L191 HydrophobicContact CG2-CD2 3.91Å; L191-V204 HydrophobicContact CB-CG1 3.75Å; L191-L207 HydrophobicContact CD1-CB 3.58Å; L191-V216 HydrophobicContact CD1-CG1 4.07Å; L191-V216 HydrophobicContact CD1-CG2 4.22Å; L191-V216 HydrophobicContact CD2-CG2 4.29Å; L191-V216 HydrophobicContact CG-CG1 3.83Å; L191-V216 HydrophobicContact CG-CG2 4.22Å; L191-A218 PolarHBondContact N-O 3.45Å; L191-A218 VanDerWaalsContact N-O 3.11Å; L191-I219 WeakPolarHBondContact O-CA 3.44Å; L191-D220 PolarHBondContact O-N 2.94Å
192	C	98.8	Very high	97	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.5	-176.5	-59.3	0	0	0	0	111.5	Y140 S141 M194 A222	Y140-C192 PolarHBondContact O-N 3.2Å; S141-C192 PolarHBondContact OG-O 2.72Å; C192-M194 HydrophobicContact CB-SD 4.2Å; C192-A222 HydrophobicContact CB-CB 4.29Å
193	C	98.1	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	151	149.3	-64	0	0	0	0	109.6	S201 D220 L221 A222	C193-S201 VanDerWaalsContact SG-CB 3.54Å; C193-D220 WeakPolarHBondContact CB-O 3.45Å; C193-D220 PolarHBondContact N-O 3.18Å; C193-L221 HydrophobicContact CB-CB 4.46Å; C193-L221 HydrophobicContact CB-CD1 3.72Å; C193-L221 WeakPolarHBondContact O-CA 2.89Å; C193-A222 PolarHBondContact O-N 2.71Å
194	M	95.9	Very high	97	Very high	17 Å²	17	33.4 Å²	33.4	8%	0.084	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.4	176.4	-58.4	-53.9	-50.5	0	0	110.5	F144 C192 H196 M197 W200 A222 H235	F144-M194 HydrophobicContact CD2-CG 4.26Å; F144-M194 HydrophobicContact CD2-SD 4.32Å; F144-M194 HydrophobicContact CE2-CE 3.81Å; F144-M194 HydrophobicContact CE2-CG 3.58Å; F144-M194 HydrophobicContact CE2-SD 3.78Å; F144-M194 HydrophobicContact CZ-CG 4.16Å; C192-M194 HydrophobicContact CB-SD 4.2Å; M194-H196 PolarHBondContact O-N 3.06Å; M194-M197 HydrophobicContact CB-CB 4.21Å; M194-M197 CarbonylContact O-C 3.59Å; M194-M197 WeakPolarHBondContact O-CA 3.38Å; M194-M197 PolarHBondContact O-N 2.8Å; M194-W200 HydrophobicContact CG-CE3 4.39Å; M194-W200 HydrophobicContact CG-CZ3 4.4Å; M194-A222 WeakPolarHBondContact CA-O 3.36Å; M194-A222 HydrophobicContact CE-CB 4.26Å; M194-A222 HydrophobicContact SD-CB 4.31Å; M194-H235 PolarHBondContact O-CE1 3.24Å
195	R	93.8	Very high	97	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.008	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-33	-177.2	-74.9	174.3	176.7	-82.1	-3.3	114.6	L221 A222 D224 N232 H235 H252	R195-L221 HydrophobicContact CG-CD1 3.88Å; R195-L221 HydrophobicContact CG-CD2 4.43Å; R195-L221 HydrophobicContact CG-CG 4Å; R195-A222 WeakPolarHBondContact CG-O 3.3Å; R195-A222 PolarHBondContact N-O 3.15Å; R195-D224 WeakPolarHBondContact CD-O 3.12Å; R195-N232 PolarHBondContact O-ND2 3.11Å; R195-H235 PolarHBondContact O-NE2 2.72Å; R195-H252 PolarHBondContact NH2-O 3.05Å
196	H	91.9	Very high	97	Very high	81 Å²	81	28.3 Å²	28.3	38%	0.375	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.2	178.8	63.7	-80.1	0	0	0	114.1	F144 M194 M227	F144-H196 AromaticContact CZ-CE1 3.63Å; F144-H196 AromaticContact CZ-NE2 3.51Å; M194-H196 PolarHBondContact O-N 3.06Å; H196-M227 HydrophobicContact CB-CE 3.76Å; H196-M227 HydrophobicContact CB-SD 3.52Å; H196-M227 VanDerWaalsContact CB-SD 3.52Å
197	M	93.6	Very high	97	Very high	53 Å²	53	26.9 Å²	26.9	26%	0.261	13%	0.132	S	C	.	.			trans	-129	65.1	-178.7	-59.7	-61	-78.7	0	0	111.8	M194 N199 W200	M194-M197 HydrophobicContact CB-CB 4.21Å; M194-M197 CarbonylContact O-C 3.59Å; M194-M197 WeakPolarHBondContact O-CA 3.38Å; M194-M197 PolarHBondContact O-N 2.8Å; M197-N199 PolarHBondContact O-N 3.45Å; M197-N199 VanDerWaalsContact O-N 3.15Å; M197-W200 HydrophobicContact CB-CB 4.48Å; M197-W200 HydrophobicContact CB-CD2 3.62Å; M197-W200 HydrophobicContact CB-CE3 3.49Å; M197-W200 VanDerWaalsContact CB-CE3 3.49Å; M197-W200 HydrophobicContact CB-CG 4.06Å; M197-W200 HydrophobicContact CB-CZ3 4.03Å; M197-W200 HydrophobicContact CE-CD2 4.01Å; M197-W200 HydrophobicContact CE-CE3 4.49Å; M197-W200 HydrophobicContact CE-CH2 3.89Å; M197-W200 HydrophobicContact CE-CZ2 3.32Å; M197-W200 HydrophobicContact CE-CZ3 4.44Å; M197-W200 HydrophobicContact CG-CD2 4.05Å; M197-W200 HydrophobicContact CG-CE3 3.75Å; M197-W200 HydrophobicContact CG-CH2 4.02Å; M197-W200 HydrophobicContact CG-CZ2 4.31Å; M197-W200 HydrophobicContact CG-CZ3 3.74Å; M197-W200 PolarHBondContact O-N 3.42Å; M197-W200 VanDerWaalsContact O-N 3.14Å
198	P	93.1	Very high	97	Very high	20 Å²	20	26.7 Å²	26.7	13%	0.13	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-56.8	-32.5	179.2	26.2	-38.4	0	0	0	113.6	W200 S201 N232 N234 H235	P198-W200 PolarHBondContact O-N 3.17Å; P198-S201 WeakPolarHBondContact O-CB 3.4Å; P198-S201 PolarHBondContact O-N 2.85Å; P198-S201 VanDerWaalsContact O-N 3.12Å; P198-S201 PolarHBondContact O-OG 3.01Å; P198-N232 HydrophobicContact CB-CB 3.96Å; P198-N232 HydrophobicContact CG-CB 4.45Å; P198-N232 WeakPolarHBondContact CG-OD1 3.45Å; P198-N234 HydrophobicContact CB-CB 4.27Å; P198-N234 WeakPolarHBondContact O-CB 3.47Å; P198-H235 VanDerWaalsContact CA-CE1 3.4Å; P198-H235 WeakPolarHBondContact CA-CE1 3.31Å
199	N	93.1	Very high	97	Very high	124 Å²	124	27.6 Å²	27.6	66%	0.663	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-64.5	-21.8	-178.9	-66.4	-23.2	0	0	0	114.1	M197 N234	M197-N199 PolarHBondContact O-N 3.45Å; M197-N199 VanDerWaalsContact O-N 3.15Å; N199-N234 PolarHBondContact OD1-ND2 3.07Å
200	W	96.4	Very high	97	Very high	16 Å²	16	32 Å²	32	6%	0.061	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-78.9	-22.9	176.2	-65.9	-16.6	0	0	0	112.9	H143 F144 V150 P155 M194 M197 P198 I202 E203 V204	H143-W200 HydrophobicContact CB-CD2 3.6Å; H143-W200 HydrophobicContact CB-CE3 3.38Å; H143-W200 HydrophobicContact CB-CG 4.31Å; H143-W200 HydrophobicContact CB-CH2 3.77Å; H143-W200 HydrophobicContact CB-CZ2 3.94Å; H143-W200 HydrophobicContact CB-CZ3 3.48Å; H143-W200 VanDerWaalsContact CB-CZ3 3.48Å; H143-W200 AromaticContact CD2-CD1 3.61Å; H143-W200 AromaticContact CD2-CD2 3.69Å; H143-W200 AromaticContact CD2-CE2 3.91Å; H143-W200 AromaticContact CD2-CG 3.51Å; H143-W200 AromaticContact CD2-NE1 3.86Å; H143-W200 AromaticContact CG-CD2 3.56Å; H143-W200 AromaticContact CG-CE3 3.72Å; H143-W200 AromaticContact CG-CG 3.74Å; H143-W200 AromaticContact NE2-CG 3.88Å; F144-W200 HydrophobicContact CD1-CH2 4.05Å; F144-W200 HydrophobicContact CD1-CZ3 4.09Å; F144-W200 AromaticContact CE1-CH2 3.89Å; F144-W200 HydrophobicContact CE1-CH2 3.89Å; F144-W200 AromaticContact CE1-CZ3 3.87Å; F144-W200 HydrophobicContact CE1-CZ3 3.87Å; F144-W200 HydrophobicContact CG-CZ3 4.48Å; F144-W200 HydrophobicContact CZ-CZ3 4.09Å; V150-W200 HydrophobicContact CB-CZ2 4.38Å; V150-W200 PolarHBondContact O-NE1 3.48Å; P155-W200 HydrophobicContact CG-CH2 4Å; P155-W200 HydrophobicContact CG-CZ2 4.39Å; M194-W200 HydrophobicContact CG-CE3 4.39Å; M194-W200 HydrophobicContact CG-CZ3 4.4Å; M197-W200 HydrophobicContact CB-CB 4.48Å; M197-W200 HydrophobicContact CB-CD2 3.62Å; M197-W200 HydrophobicContact CB-CE3 3.49Å; M197-W200 VanDerWaalsContact CB-CE3 3.49Å; M197-W200 HydrophobicContact CB-CG 4.06Å; M197-W200 HydrophobicContact CB-CZ3 4.03Å; M197-W200 HydrophobicContact CE-CD2 4.01Å; M197-W200 HydrophobicContact CE-CE3 4.49Å; M197-W200 HydrophobicContact CE-CH2 3.89Å; M197-W200 HydrophobicContact CE-CZ2 3.32Å; M197-W200 HydrophobicContact CE-CZ3 4.44Å; M197-W200 HydrophobicContact CG-CD2 4.05Å; M197-W200 HydrophobicContact CG-CE3 3.75Å; M197-W200 HydrophobicContact CG-CH2 4.02Å; M197-W200 HydrophobicContact CG-CZ2 4.31Å; M197-W200 HydrophobicContact CG-CZ3 3.74Å; M197-W200 PolarHBondContact O-N 3.42Å; M197-W200 VanDerWaalsContact O-N 3.14Å; P198-W200 PolarHBondContact O-N 3.17Å; W200-I202 VanDerWaalsContact C-N 3.29Å; W200-I202 PolarHBondContact O-N 3.18Å; W200-E203 WeakPolarHBondContact O-CB 3.5Å; W200-E203 PolarHBondContact O-N 2.9Å; W200-V204 WeakPolarHBondContact O-CG2 3.19Å; W200-V204 PolarHBondContact O-N 3.24Å
201	S	97.1	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-35.4	-168.9	-42	0	0	0	0	114.1	C193 P198 V204 V205 H235 A238	C193-S201 VanDerWaalsContact SG-CB 3.54Å; P198-S201 WeakPolarHBondContact O-CB 3.4Å; P198-S201 PolarHBondContact O-N 2.85Å; P198-S201 VanDerWaalsContact O-N 3.12Å; P198-S201 PolarHBondContact O-OG 3.01Å; S201-V204 PolarHBondContact O-N 3.26Å; S201-V205 PolarHBondContact O-N 3.18Å; S201-V205 VanDerWaalsContact O-N 3.07Å; S201-H235 PolarHBondContact OG-CE1 2.91Å; S201-H235 VanDerWaalsContact OG-CE1 3.26Å; S201-H235 PolarHBondContact OG-ND1 3.29Å; S201-A238 VanDerWaalsContact O-CB 3.29Å; S201-A238 WeakPolarHBondContact O-CB 3.42Å
202	I	97.5	Very high	96.9	Very high	62 Å²	62	39 Å²	39	32%	0.318	19%	0.189	S	C	.	.	H	α-helix	trans	-65.2	-44.3	178	-56.8	-58	0	0	0	110.1	W200 V204 V205 E206 N234 V237 A238	W200-I202 VanDerWaalsContact C-N 3.29Å; W200-I202 PolarHBondContact O-N 3.18Å; I202-V204 VanDerWaalsContact C-N 3.35Å; I202-V205 WeakPolarHBondContact O-CG1 3.39Å; I202-V205 PolarHBondContact O-N 3.14Å; I202-E206 WeakPolarHBondContact O-CG 3.34Å; I202-E206 PolarHBondContact O-N 3.22Å; I202-E206 VanDerWaalsContact O-N 3.16Å; I202-N234 HydrophobicContact CD1-CB 4.46Å; I202-N234 HydrophobicContact CG1-CB 4.34Å; I202-V237 HydrophobicContact CD1-CB 3.89Å; I202-V237 HydrophobicContact CD1-CG1 3.5Å; I202-V237 VanDerWaalsContact CD1-CG1 3.5Å; I202-A238 HydrophobicContact CD1-CB 4.35Å
203	E	98.5	Very high	96.8	Very high	66 Å²	66	46.2 Å²	46.2	31%	0.308	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-39.8	175.7	-171.6	-179.9	-175.8	0	0	111.3	H143 W200 V205 E206 L207	H143-E203 IonicContact CD2-OE2 3.36Å; H143-E203 IonicContact CE1-OE2 2.72Å; H143-E203 IonicContact NE2-OE2 3.45Å; H143-E203 PolarHBondContact NE2-OE2 2.69Å; W200-E203 WeakPolarHBondContact O-CB 3.5Å; W200-E203 PolarHBondContact O-N 2.9Å; E203-V205 PolarHBondContact O-N 3.49Å; E203-E206 PolarHBondContact O-N 3Å; E203-E206 VanDerWaalsContact O-N 3.16Å; E203-L207 HydrophobicContact CG-CD1 4.22Å; E203-L207 HydrophobicContact CG-CG 4.36Å; E203-L207 WeakPolarHBondContact O-CG 3.17Å; E203-L207 PolarHBondContact O-N 3.41Å
204	V	98.8	Very high	96.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56	-47.6	176.2	174.4	0	0	0	0	111.4	L191 W200 S201 I202 E206 L207 C208 I219	L191-V204 HydrophobicContact CB-CG1 3.75Å; W200-V204 WeakPolarHBondContact O-CG2 3.19Å; W200-V204 PolarHBondContact O-N 3.24Å; S201-V204 PolarHBondContact O-N 3.26Å; I202-V204 VanDerWaalsContact C-N 3.35Å; V204-E206 PolarHBondContact O-N 3.43Å; V204-L207 PolarHBondContact O-N 3.22Å; V204-C208 PolarHBondContact O-N 3.01Å; V204-C208 PolarHBondContact O-SG 3.44Å; V204-I219 HydrophobicContact CG1-CD1 3.88Å; V204-I219 HydrophobicContact CG1-CG1 3.86Å
205	V	98.8	Very high	96.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-68.1	-34	178.7	67.1	0	0	0	0	112.5	S201 I202 E203 C208 K209 I219 A238 E241 A242	S201-V205 PolarHBondContact O-N 3.18Å; S201-V205 VanDerWaalsContact O-N 3.07Å; I202-V205 WeakPolarHBondContact O-CG1 3.39Å; I202-V205 PolarHBondContact O-N 3.14Å; E203-V205 PolarHBondContact O-N 3.49Å; V205-C208 WeakPolarHBondContact O-CB 3Å; V205-C208 PolarHBondContact O-N 3.47Å; V205-K209 WeakPolarHBondContact O-CG 3.25Å; V205-K209 PolarHBondContact O-N 2.9Å; V205-I219 HydrophobicContact CB-CD1 3.97Å; V205-A238 HydrophobicContact CB-CB 4.28Å; V205-A238 HydrophobicContact CG1-CB 4Å; V205-E241 HydrophobicContact CG1-CB 4.24Å; V205-E241 HydrophobicContact CG1-CG 3.99Å; V205-E241 HydrophobicContact CG2-CB 4.23Å; V205-E241 HydrophobicContact CG2-CG 3.93Å; V205-A242 HydrophobicContact CG2-CB 4.04Å
206	E	98.8	Very high	96.9	Very high	75 Å²	75	48.9 Å²	48.9	35%	0.35	25%	0.254	S	S	.	.	H	α-helix	trans	-66.5	-37.5	173.6	-68.3	-53.3	138.9	0	0	112.3	I202 E203 V204 K209 T210	I202-E206 WeakPolarHBondContact O-CG 3.34Å; I202-E206 PolarHBondContact O-N 3.22Å; I202-E206 VanDerWaalsContact O-N 3.16Å; E203-E206 PolarHBondContact O-N 3Å; E203-E206 VanDerWaalsContact O-N 3.16Å; V204-E206 PolarHBondContact O-N 3.43Å; E206-K209 WeakPolarHBondContact O-CB 3.4Å; E206-K209 PolarHBondContact O-N 3.37Å; E206-K209 IonicContact OE1-NZ 2.96Å; E206-K209 PolarHBondContact OE1-NZ 3.1Å; E206-K209 VanDerWaalsContact OE2-CE 3.3Å; E206-K209 WeakPolarHBondContact OE2-CE 3.31Å; E206-K209 IonicContact OE2-NZ 3.3Å; E206-K209 PolarHBondContact OE2-NZ 2.83Å; E206-T210 WeakPolarHBondContact O-CB 3.42Å; E206-T210 PolarHBondContact O-N 2.69Å; E206-T210 PolarHBondContact O-OG1 3.09Å
207	L	98.9	Very high	97.2	Very high	8 Å²	8	46 Å²	46	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-42.2	171.7	-68.5	172.9	0	0	0	111	P142 P165 D166 V169 L191 E203 V204 K209 T210 Y211	P142-L207 HydrophobicContact CG-CD1 3.95Å; P165-L207 HydrophobicContact CB-CD1 4.09Å; D166-L207 HydrophobicContact CB-CD2 3.86Å; V169-L207 HydrophobicContact CG2-CD1 4.12Å; L191-L207 HydrophobicContact CD1-CB 3.58Å; E203-L207 HydrophobicContact CG-CD1 4.22Å; E203-L207 HydrophobicContact CG-CG 4.36Å; E203-L207 WeakPolarHBondContact O-CG 3.17Å; E203-L207 PolarHBondContact O-N 3.41Å; V204-L207 PolarHBondContact O-N 3.22Å; L207-K209 VanDerWaalsContact C-N 3.28Å; L207-K209 PolarHBondContact O-N 3.08Å; L207-T210 PolarHBondContact O-N 3.27Å; L207-Y211 HydrophobicContact CD2-CD2 4.36Å; L207-Y211 HydrophobicContact CD2-CE2 3.96Å; L207-Y211 WeakPolarHBondContact O-CD2 3.22Å; L207-Y211 PolarHBondContact O-N 2.91Å
208	C	98.9	Very high	97.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-41.4	173.3	-68.6	0	0	0	0	112	V204 V205 R212 V216 A218 I247	V204-C208 PolarHBondContact O-N 3.01Å; V204-C208 PolarHBondContact O-SG 3.44Å; V205-C208 WeakPolarHBondContact O-CB 3Å; V205-C208 PolarHBondContact O-N 3.47Å; C208-R212 WeakPolarHBondContact O-CA 3.47Å; C208-R212 WeakPolarHBondContact O-CB 3.47Å; C208-R212 PolarHBondContact O-N 3.09Å; C208-R212 VanDerWaalsContact O-N 3.09Å; C208-V216 HydrophobicContact CB-CG1 4.16Å; C208-A218 PolarHBondContact SG-O 2.99Å; C208-I247 HydrophobicContact CB-CD1 4.33Å; C208-I247 HydrophobicContact CB-CG1 4.38Å; C208-I247 HydrophobicContact CB-CG2 3.71Å
209	K	98.8	Very high	97.8	Very high	53 Å²	53	42.5 Å²	42.5	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-43.4	175.7	-71.5	160.5	57.6	-175.9	0	112	V205 E206 L207 R212 E241 C245 I247	V205-K209 WeakPolarHBondContact O-CG 3.25Å; V205-K209 PolarHBondContact O-N 2.9Å; E206-K209 WeakPolarHBondContact O-CB 3.4Å; E206-K209 PolarHBondContact O-N 3.37Å; E206-K209 IonicContact OE1-NZ 2.96Å; E206-K209 PolarHBondContact OE1-NZ 3.1Å; E206-K209 VanDerWaalsContact OE2-CE 3.3Å; E206-K209 WeakPolarHBondContact OE2-CE 3.31Å; E206-K209 IonicContact OE2-NZ 3.3Å; E206-K209 PolarHBondContact OE2-NZ 2.83Å; L207-K209 VanDerWaalsContact C-N 3.28Å; L207-K209 PolarHBondContact O-N 3.08Å; K209-R212 WeakPolarHBondContact O-CG 3.42Å; K209-E241 HydrophobicContact CD-CG 4.42Å; K209-E241 IonicContact NZ-OE1 2.89Å; K209-E241 PolarHBondContact NZ-OE1 3.39Å; K209-C245 HydrophobicContact CD-CB 4.19Å; K209-C245 HydrophobicContact CG-CB 4.13Å; K209-I247 HydrophobicContact CG-CD1 4.13Å; K209-I247 HydrophobicContact CG-CG1 4.01Å
210	T	98.8	Very high	98	Very high	92 Å²	92	36.6 Å²	36.6	56%	0.564	19%	0.192	S	C	*	.	H	α-helix	trans	-65.5	-42.6	-177.9	-59.9	0	0	0	0	111.8	E206 L207	E206-T210 WeakPolarHBondContact O-CB 3.42Å; E206-T210 PolarHBondContact O-N 2.69Å; E206-T210 PolarHBondContact O-OG1 3.09Å; L207-T210 PolarHBondContact O-N 3.27Å
211	Y	98.7	Very high	98.1	Very high	28 Å²	28	35.9 Å²	35.9	11%	0.11	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	13.9	-174	-67.4	-83.4	0	0	0	114.1	D166 V169 R170 L207 D213 A214 G215 V216	D166-Y211 PolarHBondContact O-OH 2.85Å; D166-Y211 PolarHBondContact OD1-OH 3.19Å; D166-Y211 WeakPolarHBondContact OD2-CE2 3.37Å; D166-Y211 PolarHBondContact OD2-OH 3.13Å; V169-Y211 HydrophobicContact CB-CD2 4.05Å; V169-Y211 HydrophobicContact CB-CE2 4Å; V169-Y211 HydrophobicContact CB-CG 4.47Å; V169-Y211 HydrophobicContact CG1-CD1 3.95Å; V169-Y211 HydrophobicContact CG1-CD2 3.46Å; V169-Y211 VanDerWaalsContact CG1-CD2 3.46Å; V169-Y211 HydrophobicContact CG1-CE1 4.33Å; V169-Y211 HydrophobicContact CG1-CE2 3.9Å; V169-Y211 HydrophobicContact CG1-CG 3.5Å; R170-Y211 HydrophobicContact CB-CE1 4.14Å; L207-Y211 HydrophobicContact CD2-CD2 4.36Å; L207-Y211 HydrophobicContact CD2-CE2 3.96Å; L207-Y211 WeakPolarHBondContact O-CD2 3.22Å; L207-Y211 PolarHBondContact O-N 2.91Å; Y211-D213 PolarHBondContact O-N 3.37Å; Y211-A214 HydrophobicContact CD1-CB 4.03Å; Y211-A214 CarbonylContact O-C 3.59Å; Y211-A214 WeakPolarHBondContact O-CA 3.49Å; Y211-A214 PolarHBondContact O-N 3.01Å; Y211-G215 PolarHBondContact O-N 2.79Å; Y211-V216 PolarHBondContact O-N 2.95Å; Y211-V216 VanDerWaalsContact O-N 3.13Å
212	R	97.4	Very high	98.1	Very high	119 Å²	119	36 Å²	36	45%	0.449	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-36.3	-178.4	70.3	-178.8	-65	155	10.6	113.9	C208 K209 V216 C245 I247	C208-R212 WeakPolarHBondContact O-CA 3.47Å; C208-R212 WeakPolarHBondContact O-CB 3.47Å; C208-R212 PolarHBondContact O-N 3.09Å; C208-R212 VanDerWaalsContact O-N 3.09Å; K209-R212 WeakPolarHBondContact O-CG 3.42Å; R212-V216 WeakPolarHBondContact CA-O 3.45Å; R212-C245 PolarHBondContact NH1-O 3.3Å; R212-C245 VanDerWaalsContact NH1-O 3.1Å; R212-I247 HydrophobicContact CB-CD1 4.39Å
213	D	95.1	Very high	97.9	Very high	154 Å²	154	33.6 Å²	33.6	82%	0.824	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	4.7	179.7	-58.9	-43.1	0	0	0	112	Y211	Y211-D213 PolarHBondContact O-N 3.37Å
214	A	96	Very high	97.5	Very high	55 Å²	55	31.7 Å²	31.7	46%	0.455	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	12.7	-176.6	0	0	0	0	0	113.2	N173 Y211	N173-A214 VanDerWaalsContact CG-O 3.32Å; N173-A214 PolarHBondContact ND2-O 3.31Å; Y211-A214 HydrophobicContact CD1-CB 4.03Å; Y211-A214 CarbonylContact O-C 3.59Å; Y211-A214 WeakPolarHBondContact O-CA 3.49Å; Y211-A214 PolarHBondContact O-N 3.01Å
215	G	95.9	Very high	96.9	Very high	17 Å²	17	31.8 Å²	31.8	18%	0.175	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.8	-11.3	172.5	0	0	0	0	0	115.4	R188 S189 Y211	R188-G215 WeakPolarHBondContact CA-O 3.29Å; S189-G215 PolarHBondContact N-O 2.85Å; S189-G215 PolarHBondContact OG-O 3.48Å; Y211-G215 PolarHBondContact O-N 2.79Å
216	V	98.9	Very high	96	Very high	3 Å²	3	36 Å²	36	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119	174.1	178.8	0	0	0	0	109.9	V169 S189 L191 C208 Y211 R212	V169-V216 HydrophobicContact CG1-CG2 3.79Å; S189-V216 CarbonylContact O-C 3.58Å; S189-V216 WeakPolarHBondContact O-CA 3.35Å; S189-V216 WeakPolarHBondContact OG-CG2 3.39Å; L191-V216 HydrophobicContact CD1-CG1 4.07Å; L191-V216 HydrophobicContact CD1-CG2 4.22Å; L191-V216 HydrophobicContact CD2-CG2 4.29Å; L191-V216 HydrophobicContact CG-CG1 3.83Å; L191-V216 HydrophobicContact CG-CG2 4.22Å; C208-V216 HydrophobicContact CB-CG1 4.16Å; Y211-V216 PolarHBondContact O-N 2.95Å; Y211-V216 VanDerWaalsContact O-N 3.13Å; R212-V216 WeakPolarHBondContact CA-O 3.45Å
217	V	98.9	Very high	94.8	Very high	20 Å²	20	36 Å²	36	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-20.4	-174	-66.6	0	0	0	0	114	E137 R188 S189 I190 H248 F373	E137-V217 HydrophobicContact CG-CG2 4.24Å; R188-V217 HydrophobicContact CB-CB 4.44Å; R188-V217 HydrophobicContact CB-CG1 3.71Å; R188-V217 HydrophobicContact CB-CG2 3.83Å; R188-V217 HydrophobicContact CG-CG1 3.76Å; S189-V217 PolarHBondContact O-N 3.33Å; I190-V217 HydrophobicContact CG1-CG2 4.07Å; V217-H248 WeakPolarHBondContact O-CB 3.28Å; V217-F373 HydrophobicContact CB-CB 3.81Å; V217-F373 HydrophobicContact CG2-CB 3.88Å
218	A	98.9	Very high	93	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	167.4	-175.8	0	0	0	0	0	113.6	I190 L191 C208 H248 F373	I190-A218 WeakPolarHBondContact CA-O 3.46Å; I190-A218 HydrophobicContact CB-CB 4.46Å; I190-A218 HydrophobicContact CD1-CB 4.04Å; I190-A218 HydrophobicContact CG1-CB 3.8Å; I190-A218 HydrophobicContact CG2-CB 4.11Å; L191-A218 PolarHBondContact N-O 3.45Å; L191-A218 VanDerWaalsContact N-O 3.11Å; C208-A218 PolarHBondContact SG-O 2.99Å; A218-H248 CarbonylContact C-O 3.51Å; A218-H248 VanDerWaalsContact CA-O 3.26Å; A218-H248 WeakPolarHBondContact CA-O 3.32Å; A218-H248 HydrophobicContact CB-CB 3.84Å; A218-H248 WeakPolarHBondContact CB-O 3.46Å; A218-F373 HydrophobicContact CB-CD2 3.37Å; A218-F373 HydrophobicContact CB-CE2 3.53Å; A218-F373 HydrophobicContact CB-CG 4.15Å; A218-F373 HydrophobicContact CB-CZ 4.45Å
219	I	98.9	Very high	91.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.1	163.3	-168.9	167.4	0	0	0	110.1	L191 V204 V205 A238 Y239 A242 I247 H248 R249 T250	L191-I219 WeakPolarHBondContact O-CA 3.44Å; V204-I219 HydrophobicContact CG1-CD1 3.88Å; V204-I219 HydrophobicContact CG1-CG1 3.86Å; V205-I219 HydrophobicContact CB-CD1 3.97Å; I219-A238 HydrophobicContact CD1-CB 4.47Å; I219-Y239 HydrophobicContact CD1-CE2 4.4Å; I219-Y239 HydrophobicContact CG1-CE2 4.47Å; I219-Y239 HydrophobicContact CG2-CD1 4.41Å; I219-Y239 HydrophobicContact CG2-CE1 4.02Å; I219-A242 HydrophobicContact CG2-CB 3.97Å; I219-I247 HydrophobicContact CB-CG2 4.42Å; I219-I247 HydrophobicContact CG2-CG2 4.36Å; I219-H248 WeakPolarHBondContact CG2-O 3.39Å; I219-H248 PolarHBondContact N-O 3.1Å; I219-R249 HydrophobicContact CG2-CB 4.5Å; I219-R249 HydrophobicContact CG2-CG 3.94Å; I219-T250 PolarHBondContact O-N 3.35Å
220	D	98.9	Very high	89.1	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	164.9	171.2	-172.8	21.2	0	0	0	111.5	R139 I190 L191 C193 Y239 T250 V251 H252	R139-D220 WeakPolarHBondContact CD-OD2 3.48Å; R139-D220 IonicContact CZ-OD2 3.58Å; R139-D220 IonicContact NE-OD2 3.97Å; R139-D220 IonicContact NH1-OD1 3.71Å; R139-D220 IonicContact NH1-OD2 2.72Å; R139-D220 PolarHBondContact NH1-OD2 3.36Å; I190-D220 HydrophobicContact CG2-CB 3.61Å; L191-D220 PolarHBondContact O-N 2.94Å; C193-D220 WeakPolarHBondContact CB-O 3.45Å; C193-D220 PolarHBondContact N-O 3.18Å; D220-Y239 WeakPolarHBondContact CA-OH 3.47Å; D220-Y239 PolarHBondContact O-OH 3.39Å; D220-T250 WeakPolarHBondContact CA-O 3.31Å; D220-T250 HydrophobicContact CB-CG2 3.72Å; D220-V251 WeakPolarHBondContact OD1-CA 3.43Å; D220-H252 PolarHBondContact OD1-N 3.13Å; D220-H252 IonicContact OD1-ND1 3.26Å; D220-H252 PolarHBondContact OD1-ND1 2.88Å; D220-H252 IonicContact OD2-CE1 3.78Å; D220-H252 PolarHBondContact OD2-CE1 3.09Å; D220-H252 IonicContact OD2-ND1 3.75Å; D220-H252 PolarHBondContact OD2-ND1 2.81Å
221	L	97.9	Very high	86.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	110.8	168.8	175	65.4	0	0	0	108.3	C193 R195 L229 Y239 V251 H252 L269	C193-L221 HydrophobicContact CB-CB 4.46Å; C193-L221 HydrophobicContact CB-CD1 3.72Å; C193-L221 WeakPolarHBondContact O-CA 2.89Å; R195-L221 HydrophobicContact CG-CD1 3.88Å; R195-L221 HydrophobicContact CG-CD2 4.43Å; R195-L221 HydrophobicContact CG-CG 4Å; L221-L229 HydrophobicContact CD2-CD1 4.45Å; L221-L229 HydrophobicContact CD2-CD2 4.05Å; L221-Y239 HydrophobicContact CB-CE2 4.13Å; L221-Y239 WeakPolarHBondContact CB-OH 3.46Å; L221-Y239 PolarHBondContact N-OH 3.12Å; L221-V251 HydrophobicContact CB-CG1 4.25Å; L221-V251 HydrophobicContact CD2-CG1 4.37Å; L221-H252 VanDerWaalsContact O-CB 3.31Å; L221-H252 WeakPolarHBondContact O-CB 3.5Å; L221-H252 PolarHBondContact O-N 2.67Å; L221-H252 VanDerWaalsContact O-N 3.1Å; L221-L269 HydrophobicContact CD2-CD1 3.83Å
222	A	96.9	Very high	85.1	Confident	3 Å²	3	49.5 Å²	49.5	3%	0.025	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-179.3	-175.2	0	0	0	0	0	112.1	C192 C193 M194 R195	C192-A222 HydrophobicContact CB-CB 4.29Å; C193-A222 PolarHBondContact O-N 2.71Å; M194-A222 WeakPolarHBondContact CA-O 3.36Å; M194-A222 HydrophobicContact CE-CB 4.26Å; M194-A222 HydrophobicContact SD-CB 4.31Å; R195-A222 WeakPolarHBondContact CG-O 3.3Å; R195-A222 PolarHBondContact N-O 3.15Å
223	G	93.1	Very high	84.2	Confident	12 Å²	12	47.6 Å²	47.6	12%	0.124	27%	0.271	C	S	.	.	S	Bend	trans	98.6	-165.9	-179.6	0	0	0	0	0	113.3	E225	G223-E225 PolarHBondContact O-N 3.43Å; G223-E225 VanDerWaalsContact O-N 3.08Å
224	D	90.6	Very high	84.1	Confident	25 Å²	25	42.2 Å²	42.2	13%	0.134	24%	0.242	C	C	.	.			trans	-65.8	109	-170.6	-164	-29.7	0	0	0	112.4	T97 L100 R195 S226 M227	T97-D224 PolarHBondContact OG1-OD2 3.33Å; L100-D224 HydrophobicContact CD1-CB 4.07Å; R195-D224 WeakPolarHBondContact CD-O 3.12Å; D224-S226 VanDerWaalsContact CG-OG 3.22Å; D224-S226 PolarHBondContact O-N 2.96Å; D224-S226 VanDerWaalsContact OD1-CB 3.24Å; D224-S226 WeakPolarHBondContact OD1-CB 3.32Å; D224-S226 PolarHBondContact OD1-N 3.4Å; D224-S226 PolarHBondContact OD1-OG 3.05Å; D224-S226 PolarHBondContact OD2-OG 3.16Å; D224-M227 HydrophobicContact CB-CG 4.34Å; D224-M227 WeakPolarHBondContact O-CB 3.48Å; D224-M227 PolarHBondContact O-N 2.93Å
225	E	86.7	Confident	84.1	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.009	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.3	-179.5	-161.1	-177	180	0	0	112.8	L96 G223 M227 A253 G254 E255 V256 G257 M261	L96-E225 HydrophobicContact CD2-CB 4.39Å; G223-E225 PolarHBondContact O-N 3.43Å; G223-E225 VanDerWaalsContact O-N 3.08Å; E225-M227 PolarHBondContact O-N 3.32Å; E225-A253 VanDerWaalsContact OE1-CA 3.3Å; E225-A253 WeakPolarHBondContact OE1-CA 3.21Å; E225-G254 PolarHBondContact OE1-N 2.99Å; E225-E255 PolarHBondContact OE2-N 3.19Å; E225-V256 HydrophobicContact CB-CG2 3.82Å; E225-V256 PolarHBondContact OE2-N 3.09Å; E225-G257 VanDerWaalsContact CD-CA 3.42Å; E225-G257 WeakPolarHBondContact OE1-CA 3.46Å; E225-G257 WeakPolarHBondContact OE2-CA 3.3Å; E225-G257 PolarHBondContact OE2-N 3.18Å; E225-M261 HydrophobicContact CG-SD 3.57Å; E225-M261 VanDerWaalsContact CG-SD 3.57Å; E225-M261 VanDerWaalsContact O-CE 3.28Å; E225-M261 WeakPolarHBondContact O-CE 3.36Å; E225-M261 VanDerWaalsContact O-SD 3.4Å
226	S	79.6	Confident	84	Confident	89 Å²	89	41.7 Å²	41.7	62%	0.622	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.2	173.3	71.2	0	0	0	0	113.4	D224 N228	D224-S226 VanDerWaalsContact CG-OG 3.22Å; D224-S226 PolarHBondContact O-N 2.96Å; D224-S226 VanDerWaalsContact OD1-CB 3.24Å; D224-S226 WeakPolarHBondContact OD1-CB 3.32Å; D224-S226 PolarHBondContact OD1-N 3.4Å; D224-S226 PolarHBondContact OD1-OG 3.05Å; D224-S226 PolarHBondContact OD2-OG 3.16Å; S226-N228 PolarHBondContact O-N 3.32Å
227	M	73.8	Confident	83.9	Confident	77 Å²	77	44.7 Å²	44.7	38%	0.379	24%	0.243	S	C	.	.	S	Bend	trans	-78.7	119.9	177.5	-64.1	-171.8	66.8	0	0	110.9	H196 D224 E225	H196-M227 HydrophobicContact CB-CE 3.76Å; H196-M227 HydrophobicContact CB-SD 3.52Å; H196-M227 VanDerWaalsContact CB-SD 3.52Å; D224-M227 HydrophobicContact CB-CG 4.34Å; D224-M227 WeakPolarHBondContact O-CB 3.48Å; D224-M227 PolarHBondContact O-N 2.93Å; E225-M227 PolarHBondContact O-N 3.32Å
228	N	59.7	Low	83.8	Confident	86 Å²	86	43.7 Å²	43.7	46%	0.46	24%	0.237	S	C	.	.			trans	-66.5	132	-179.9	-164.8	-3.2	0	0	0	110.9	S226 E230	S226-N228 PolarHBondContact O-N 3.32Å; N228-E230 VanDerWaalsContact C-N 3.31Å; N228-E230 PolarHBondContact ND2-OE2 3.18Å; N228-E230 WeakPolarHBondContact OD1-CG 3.42Å; N228-E230 PolarHBondContact OD1-N 3.33Å
229	L	61.7	Low	83.8	Confident	7 Å²	7	43.8 Å²	43.8	4%	0.037	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-79.5	-14	179	-68.9	172.4	0	0	0	112.8	L221 E231 N232 E264	L221-L229 HydrophobicContact CD2-CD1 4.45Å; L221-L229 HydrophobicContact CD2-CD2 4.05Å; L229-E231 PolarHBondContact O-N 3.13Å; L229-N232 PolarHBondContact O-N 3.11Å; L229-E264 WeakPolarHBondContact CB-OE1 3.08Å; L229-E264 VanDerWaalsContact CD1-CD 3.49Å; L229-E264 HydrophobicContact CD1-CG 4.43Å; L229-E264 WeakPolarHBondContact CD1-OE1 3.46Å; L229-E264 WeakPolarHBondContact CD1-OE2 3.41Å
230	E	55.3	Low	83.7	Confident	155 Å²	155	49.8 Å²	49.8	72%	0.724	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-60.6	-16.8	-175.6	-72.4	178.8	158.2	0	0	114.4	N228	N228-E230 VanDerWaalsContact C-N 3.31Å; N228-E230 PolarHBondContact ND2-OE2 3.18Å; N228-E230 WeakPolarHBondContact OD1-CG 3.42Å; N228-E230 PolarHBondContact OD1-N 3.33Å
231	E	52.8	Low	83.7	Confident	183 Å²	183	51.3 Å²	51.3	86%	0.855	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-99.7	-2.8	176	-68.3	-174.5	166.4	0	0	114.4	L229	L229-E231 PolarHBondContact O-N 3.13Å
232	N	60.5	Low	83.8	Confident	33 Å²	33	51.3 Å²	51.3	18%	0.176	27%	0.272	C	S	.	.			trans	-114.8	86.1	-166.5	-77.4	-15.4	0	0	0	114.7	R195 P198 L229 N234	R195-N232 PolarHBondContact O-ND2 3.11Å; P198-N232 HydrophobicContact CB-CB 3.96Å; P198-N232 HydrophobicContact CG-CB 4.45Å; P198-N232 WeakPolarHBondContact CG-OD1 3.45Å; L229-N232 PolarHBondContact O-N 3.11Å; N232-N234 VanDerWaalsContact C-N 3.32Å; N232-N234 PolarHBondContact O-N 3.2Å
233	S	77.8	Confident	83.9	Confident	78 Å²	78	54.4 Å²	54.4	55%	0.545	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-34.1	-180	62.4	0	0	0	0	114.6	K236 V237	S233-K236 PolarHBondContact O-N 3.25Å; S233-V237 VanDerWaalsContact O-CG2 3.3Å; S233-V237 WeakPolarHBondContact O-CG2 3.39Å; S233-V237 PolarHBondContact O-N 3.34Å; S233-V237 VanDerWaalsContact O-N 3.12Å
234	N	93.4	Very high	84.1	Confident	41 Å²	41	62.1 Å²	62.1	22%	0.219	32%	0.316	C	S	.	.	H	α-helix	trans	-78.2	-24.1	-168.7	-68.8	-9.7	0	0	0	114.1	P198 N199 I202 N232 A238	P198-N234 HydrophobicContact CB-CB 4.27Å; P198-N234 WeakPolarHBondContact O-CB 3.47Å; N199-N234 PolarHBondContact OD1-ND2 3.07Å; I202-N234 HydrophobicContact CD1-CB 4.46Å; I202-N234 HydrophobicContact CG1-CB 4.34Å; N232-N234 VanDerWaalsContact C-N 3.32Å; N232-N234 PolarHBondContact O-N 3.2Å; N234-A238 WeakPolarHBondContact O-CB 3.43Å; N234-A238 PolarHBondContact O-N 3.17Å
235	H	95.1	Very high	84.5	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-49.5	170.5	-65.1	-44.1	0	0	0	110.1	M194 R195 P198 S201 V237 A238 Y239	M194-H235 PolarHBondContact O-CE1 3.24Å; R195-H235 PolarHBondContact O-NE2 2.72Å; P198-H235 VanDerWaalsContact CA-CE1 3.4Å; P198-H235 WeakPolarHBondContact CA-CE1 3.31Å; S201-H235 PolarHBondContact OG-CE1 2.91Å; S201-H235 VanDerWaalsContact OG-CE1 3.26Å; S201-H235 PolarHBondContact OG-ND1 3.29Å; H235-V237 VanDerWaalsContact C-N 3.35Å; H235-V237 PolarHBondContact O-N 2.88Å; H235-A238 PolarHBondContact O-N 2.7Å; H235-Y239 WeakPolarHBondContact O-CD2 3.28Å; H235-Y239 PolarHBondContact O-N 3.24Å
236	K	94.4	Very high	85	Confident	60 Å²	60	64.3 Å²	64.3	26%	0.261	34%	0.34	S	S	.	.	H	α-helix	trans	-59.7	-46	178.9	-60.5	-172.9	-174	-168.2	0	111	S233 A238 Y239 E240 E264 E268 L269	S233-K236 PolarHBondContact O-N 3.25Å; K236-A238 VanDerWaalsContact C-N 3.34Å; K236-A238 PolarHBondContact O-N 3.34Å; K236-Y239 PolarHBondContact O-N 3.39Å; K236-E240 WeakPolarHBondContact O-CB 3.27Å; K236-E240 WeakPolarHBondContact O-CG 3.32Å; K236-E240 PolarHBondContact O-N 2.93Å; K236-E264 IonicContact NZ-OE1 3.8Å; K236-E268 VanDerWaalsContact CE-OE2 3.3Å; K236-E268 WeakPolarHBondContact CE-OE2 3.27Å; K236-E268 IonicContact NZ-OE2 2.89Å; K236-E268 PolarHBondContact NZ-OE2 2.79Å; K236-L269 HydrophobicContact CG-CD2 4.05Å
237	V	96.3	Very high	86	Confident	65 Å²	65	60.4 Å²	60.4	39%	0.394	31%	0.312	S	S	.	.	H	α-helix	trans	-58.9	-43.2	176.1	175.4	0	0	0	0	111.9	I202 S233 H235 Y239 E240 E241	I202-V237 HydrophobicContact CD1-CB 3.89Å; I202-V237 HydrophobicContact CD1-CG1 3.5Å; I202-V237 VanDerWaalsContact CD1-CG1 3.5Å; S233-V237 VanDerWaalsContact O-CG2 3.3Å; S233-V237 WeakPolarHBondContact O-CG2 3.39Å; S233-V237 PolarHBondContact O-N 3.34Å; S233-V237 VanDerWaalsContact O-N 3.12Å; H235-V237 VanDerWaalsContact C-N 3.35Å; H235-V237 PolarHBondContact O-N 2.88Å; V237-Y239 PolarHBondContact O-N 2.86Å; V237-E240 PolarHBondContact O-N 3.26Å; V237-E241 WeakPolarHBondContact O-CB 3.32Å; V237-E241 PolarHBondContact O-N 3.28Å
238	A	98.1	Very high	87.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-39.4	177.8	0	0	0	0	0	112.4	S201 I202 V205 I219 N234 H235 K236 E241 A242	S201-A238 VanDerWaalsContact O-CB 3.29Å; S201-A238 WeakPolarHBondContact O-CB 3.42Å; I202-A238 HydrophobicContact CD1-CB 4.35Å; V205-A238 HydrophobicContact CB-CB 4.28Å; V205-A238 HydrophobicContact CG1-CB 4Å; I219-A238 HydrophobicContact CD1-CB 4.47Å; N234-A238 WeakPolarHBondContact O-CB 3.43Å; N234-A238 PolarHBondContact O-N 3.17Å; H235-A238 PolarHBondContact O-N 2.7Å; K236-A238 VanDerWaalsContact C-N 3.34Å; K236-A238 PolarHBondContact O-N 3.34Å; A238-E241 PolarHBondContact O-N 2.85Å; A238-A242 WeakPolarHBondContact O-CB 3.34Å; A238-A242 PolarHBondContact O-N 3.41Å
239	Y	98.1	Very high	89	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-74.4	-34.4	177.7	-85.3	-99.5	0	0	0	112.9	I219 D220 L221 H235 K236 V237 E241 A242 V243 R249 T250 V251 L269	I219-Y239 HydrophobicContact CD1-CE2 4.4Å; I219-Y239 HydrophobicContact CG1-CE2 4.47Å; I219-Y239 HydrophobicContact CG2-CD1 4.41Å; I219-Y239 HydrophobicContact CG2-CE1 4.02Å; D220-Y239 WeakPolarHBondContact CA-OH 3.47Å; D220-Y239 PolarHBondContact O-OH 3.39Å; L221-Y239 HydrophobicContact CB-CE2 4.13Å; L221-Y239 WeakPolarHBondContact CB-OH 3.46Å; L221-Y239 PolarHBondContact N-OH 3.12Å; H235-Y239 WeakPolarHBondContact O-CD2 3.28Å; H235-Y239 PolarHBondContact O-N 3.24Å; K236-Y239 PolarHBondContact O-N 3.39Å; V237-Y239 PolarHBondContact O-N 2.86Å; Y239-E241 VanDerWaalsContact C-N 3.32Å; Y239-A242 WeakPolarHBondContact O-CB 3.28Å; Y239-A242 PolarHBondContact O-N 2.85Å; Y239-V243 WeakPolarHBondContact O-CG2 3.32Å; Y239-V243 PolarHBondContact O-N 3.03Å; Y239-R249 HydrophobicContact CD1-CB 4.1Å; Y239-R249 HydrophobicContact CD1-CG 3.83Å; Y239-R249 HydrophobicContact CE1-CB 3.94Å; Y239-R249 HydrophobicContact CE1-CG 4.08Å; Y239-T250 PolarHBondContact OH-O 3.19Å; Y239-V251 HydrophobicContact CE1-CG2 3.58Å; Y239-L269 HydrophobicContact CD1-CB 3.75Å; Y239-L269 WeakPolarHBondContact CD1-O 3.31Å; Y239-L269 HydrophobicContact CD2-CD2 4.23Å; Y239-L269 HydrophobicContact CE1-CB 4.24Å; Y239-L269 HydrophobicContact CG-CB 3.95Å; Y239-L269 HydrophobicContact CG-CD2 4.07Å; Y239-L269 HydrophobicContact CG-CG 4.45Å
240	E	98	Very high	90.8	Very high	126 Å²	126	56.5 Å²	56.5	59%	0.589	29%	0.288	S	S	*	.	H	α-helix	trans	-60.3	-43.4	169.2	-74.5	173.9	176.3	0	0	111.1	K236 V237 V243 R244	K236-E240 WeakPolarHBondContact O-CB 3.27Å; K236-E240 WeakPolarHBondContact O-CG 3.32Å; K236-E240 PolarHBondContact O-N 2.93Å; V237-E240 PolarHBondContact O-N 3.26Å; E240-V243 PolarHBondContact O-N 2.8Å; E240-R244 WeakPolarHBondContact O-CB 3.44Å; E240-R244 PolarHBondContact O-N 3.27Å
241	E	98.6	Very high	92.9	Very high	31 Å²	31	49.2 Å²	49.2	15%	0.145	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-39.5	174.1	178.8	62.9	-169.9	0	0	111.9	V205 K209 V237 A238 Y239 V243 R244 C245	V205-E241 HydrophobicContact CG1-CB 4.24Å; V205-E241 HydrophobicContact CG1-CG 3.99Å; V205-E241 HydrophobicContact CG2-CB 4.23Å; V205-E241 HydrophobicContact CG2-CG 3.93Å; K209-E241 HydrophobicContact CD-CG 4.42Å; K209-E241 IonicContact NZ-OE1 2.89Å; K209-E241 PolarHBondContact NZ-OE1 3.39Å; V237-E241 WeakPolarHBondContact O-CB 3.32Å; V237-E241 PolarHBondContact O-N 3.28Å; A238-E241 PolarHBondContact O-N 2.85Å; Y239-E241 VanDerWaalsContact C-N 3.32Å; E241-V243 PolarHBondContact O-N 3.37Å; E241-R244 PolarHBondContact O-N 3.46Å; E241-R244 IonicContact OE1-CZ 3.15Å; E241-R244 IonicContact OE1-NE 3.21Å; E241-R244 IonicContact OE1-NH2 3.16Å; E241-R244 PolarHBondContact OE1-NH2 2.95Å; E241-R244 IonicContact OE2-CZ 3.72Å; E241-R244 IonicContact OE2-NE 2.97Å; E241-R244 PolarHBondContact OE2-NE 2.91Å; E241-R244 IonicContact OE2-NH2 3.6Å; E241-R244 PolarHBondContact OE2-NH2 2.98Å; E241-C245 WeakPolarHBondContact O-CB 3.32Å; E241-C245 PolarHBondContact O-N 3.03Å; E241-C245 PolarHBondContact OE1-SG 3.27Å
242	A	98.8	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-43.7	175.3	0	0	0	0	0	111.4	V205 I219 A238 Y239 C245 G246 I247 R249	V205-A242 HydrophobicContact CG2-CB 4.04Å; I219-A242 HydrophobicContact CG2-CB 3.97Å; A238-A242 WeakPolarHBondContact O-CB 3.34Å; A238-A242 PolarHBondContact O-N 3.41Å; Y239-A242 WeakPolarHBondContact O-CB 3.28Å; Y239-A242 PolarHBondContact O-N 2.85Å; A242-C245 PolarHBondContact O-N 2.97Å; A242-G246 PolarHBondContact O-N 3.43Å; A242-I247 HydrophobicContact CB-CB 3.98Å; A242-I247 HydrophobicContact CB-CG2 4.35Å; A242-I247 PolarHBondContact O-N 3.08Å; A242-R249 HydrophobicContact CB-CG 3.96Å
243	V	98.8	Very high	96.8	Very high	69 Å²	69	39.5 Å²	39.5	42%	0.418	21%	0.208	S	C	.	.	H	α-helix	trans	-59.5	-48.7	172	172.4	0	0	0	0	110.6	Y239 E240 E241 C245 G246 K270	Y239-V243 WeakPolarHBondContact O-CG2 3.32Å; Y239-V243 PolarHBondContact O-N 3.03Å; E240-V243 PolarHBondContact O-N 2.8Å; E241-V243 PolarHBondContact O-N 3.37Å; V243-C245 VanDerWaalsContact C-N 3.29Å; V243-C245 PolarHBondContact O-N 3.01Å; V243-G246 PolarHBondContact O-N 3.16Å; V243-K270 HydrophobicContact CG2-CB 3.71Å; V243-K270 HydrophobicContact CG2-CG 3.87Å
244	R	98.7	Very high	97.7	Very high	174 Å²	174	35.8 Å²	35.8	66%	0.657	18%	0.182	S	C	*	.	H	α-helix	trans	-60.8	-36.3	-177.9	-169	-179.1	71.5	86.4	-2.5	112.8	E240 E241	E240-R244 WeakPolarHBondContact O-CB 3.44Å; E240-R244 PolarHBondContact O-N 3.27Å; E241-R244 PolarHBondContact O-N 3.46Å; E241-R244 IonicContact OE1-CZ 3.15Å; E241-R244 IonicContact OE1-NE 3.21Å; E241-R244 IonicContact OE1-NH2 3.16Å; E241-R244 PolarHBondContact OE1-NH2 2.95Å; E241-R244 IonicContact OE2-CZ 3.72Å; E241-R244 IonicContact OE2-NE 2.97Å; E241-R244 PolarHBondContact OE2-NE 2.91Å; E241-R244 IonicContact OE2-NH2 3.6Å; E241-R244 PolarHBondContact OE2-NH2 2.98Å
245	C	98.2	Very high	97.9	Very high	30 Å²	30	34.2 Å²	34.2	20%	0.203	17%	0.173	C	C	.	.	H	α-helix	trans	-96	-0.6	-176.9	-70.2	0	0	0	0	114.4	K209 R212 E241 A242 V243 I247	K209-C245 HydrophobicContact CD-CB 4.19Å; K209-C245 HydrophobicContact CG-CB 4.13Å; R212-C245 PolarHBondContact NH1-O 3.3Å; R212-C245 VanDerWaalsContact NH1-O 3.1Å; E241-C245 WeakPolarHBondContact O-CB 3.32Å; E241-C245 PolarHBondContact O-N 3.03Å; E241-C245 PolarHBondContact OE1-SG 3.27Å; A242-C245 PolarHBondContact O-N 2.97Å; V243-C245 VanDerWaalsContact C-N 3.29Å; V243-C245 PolarHBondContact O-N 3.01Å; C245-I247 VanDerWaalsContact C-N 3.33Å; C245-I247 HydrophobicContact CB-CG1 4.2Å
246	G	98.4	Very high	97.9	Very high	42 Å²	42	36.7 Å²	36.7	43%	0.433	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	35.1	-176.7	0	0	0	0	0	113.3	A242 V243	A242-G246 PolarHBondContact O-N 3.43Å; V243-G246 PolarHBondContact O-N 3.16Å
247	I	98.8	Very high	97.9	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.036	18%	0.179	C	C	.	.			trans	-84.8	128.3	169.3	-59.9	-58.2	0	0	0	107.9	C208 K209 R212 I219 A242 C245 R249	C208-I247 HydrophobicContact CB-CD1 4.33Å; C208-I247 HydrophobicContact CB-CG1 4.38Å; C208-I247 HydrophobicContact CB-CG2 3.71Å; K209-I247 HydrophobicContact CG-CD1 4.13Å; K209-I247 HydrophobicContact CG-CG1 4.01Å; R212-I247 HydrophobicContact CB-CD1 4.39Å; I219-I247 HydrophobicContact CB-CG2 4.42Å; I219-I247 HydrophobicContact CG2-CG2 4.36Å; A242-I247 HydrophobicContact CB-CB 3.98Å; A242-I247 HydrophobicContact CB-CG2 4.35Å; A242-I247 PolarHBondContact O-N 3.08Å; C245-I247 VanDerWaalsContact C-N 3.33Å; C245-I247 HydrophobicContact CB-CG1 4.2Å; I247-R249 PolarHBondContact O-NH1 2.83Å
248	H	98.9	Very high	97.9	Very high	58 Å²	58	33.8 Å²	33.8	27%	0.269	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	153.8	-178.5	-70.6	-67.1	0	0	0	113	V217 A218 I219 E272 F373	V217-H248 WeakPolarHBondContact O-CB 3.28Å; A218-H248 CarbonylContact C-O 3.51Å; A218-H248 VanDerWaalsContact CA-O 3.26Å; A218-H248 WeakPolarHBondContact CA-O 3.32Å; A218-H248 HydrophobicContact CB-CB 3.84Å; A218-H248 WeakPolarHBondContact CB-O 3.46Å; I219-H248 WeakPolarHBondContact CG2-O 3.39Å; I219-H248 PolarHBondContact N-O 3.1Å; H248-E272 WeakPolarHBondContact CA-OE2 3.42Å; H248-E272 IonicContact CE1-OE1 2.73Å; H248-E272 IonicContact CG-OE2 3.7Å; H248-E272 IonicContact ND1-OE1 3.26Å; H248-E272 PolarHBondContact ND1-OE1 3.18Å; H248-E272 IonicContact ND1-OE2 2.85Å; H248-E272 PolarHBondContact ND1-OE2 2.56Å; H248-E272 VanDerWaalsContact ND1-OE2 3.16Å; H248-F373 HydrophobicContact CB-CB 4.04Å; H248-F373 HydrophobicContact CB-CD1 3.32Å; H248-F373 HydrophobicContact CB-CD2 4.04Å; H248-F373 HydrophobicContact CB-CE1 3.6Å; H248-F373 HydrophobicContact CB-CE2 4.23Å; H248-F373 HydrophobicContact CB-CG 3.54Å; H248-F373 HydrophobicContact CB-CZ 4.02Å; H248-F373 AromaticContact CD2-CD1 3.82Å; H248-F373 AromaticContact CD2-CG 3.99Å; H248-F373 AromaticContact CG-CD1 3.31Å; H248-F373 AromaticContact CG-CE1 3.91Å; H248-F373 AromaticContact CG-CG 3.76Å; H248-F373 AromaticContact ND1-CD1 3.6Å
249	R	98.9	Very high	97.8	Very high	31 Å²	31	34.2 Å²	34.2	12%	0.117	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	120.1	-169.7	-63.2	158.1	-52.1	-69.5	-5.7	111.3	I219 Y239 A242 I247 K270 E272 R273	I219-R249 HydrophobicContact CG2-CB 4.5Å; I219-R249 HydrophobicContact CG2-CG 3.94Å; Y239-R249 HydrophobicContact CD1-CB 4.1Å; Y239-R249 HydrophobicContact CD1-CG 3.83Å; Y239-R249 HydrophobicContact CE1-CB 3.94Å; Y239-R249 HydrophobicContact CE1-CG 4.08Å; A242-R249 HydrophobicContact CB-CG 3.96Å; I247-R249 PolarHBondContact O-NH1 2.83Å; R249-K270 PolarHBondContact NE-O 2.76Å; R249-E272 IonicContact CZ-OE2 3.44Å; R249-E272 PolarHBondContact N-OE2 3.33Å; R249-E272 IonicContact NE-OE2 3.8Å; R249-E272 IonicContact NH1-OE2 2.86Å; R249-E272 PolarHBondContact NH1-OE2 3.01Å; R249-E272 IonicContact NH2-OE1 3.88Å; R249-E272 IonicContact NH2-OE2 2.72Å; R249-E272 PolarHBondContact NH2-OE2 3.01Å; R249-E272 WeakPolarHBondContact O-CB 3.16Å; R249-E272 PolarHBondContact O-N 3.2Å; R249-R273 PolarHBondContact O-N 2.97Å
250	T	98.9	Very high	97.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	156.7	162.2	-172.1	0	0	0	0	108.8	I190 I219 D220 Y239 R273 E298 F373	I190-T250 HydrophobicContact CD1-CG2 4.25Å; I190-T250 HydrophobicContact CG2-CG2 4.27Å; I219-T250 PolarHBondContact O-N 3.35Å; D220-T250 WeakPolarHBondContact CA-O 3.31Å; D220-T250 HydrophobicContact CB-CG2 3.72Å; Y239-T250 PolarHBondContact OH-O 3.19Å; T250-R273 WeakPolarHBondContact CA-O 3.16Å; T250-R273 PolarHBondContact OG1-O 3.18Å; T250-E298 PolarHBondContact OG1-OE1 3.12Å; T250-E298 PolarHBondContact OG1-OE2 3.14Å; T250-F373 HydrophobicContact CG2-CE2 4.38Å
251	V	98.7	Very high	97.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	129.5	-180	175.3	0	0	0	0	108.8	D220 L221 Y239 A253 A265 L269 A271 R273 G275	D220-V251 WeakPolarHBondContact OD1-CA 3.43Å; L221-V251 HydrophobicContact CB-CG1 4.25Å; L221-V251 HydrophobicContact CD2-CG1 4.37Å; Y239-V251 HydrophobicContact CE1-CG2 3.58Å; V251-A253 HydrophobicContact CG1-CB 4.29Å; V251-A253 PolarHBondContact O-N 3.38Å; V251-A265 HydrophobicContact CB-CB 3.87Å; V251-A265 HydrophobicContact CG1-CB 3.65Å; V251-A265 HydrophobicContact CG2-CB 4.27Å; V251-L269 HydrophobicContact CG1-CD1 4.22Å; V251-L269 HydrophobicContact CG2-CB 4.23Å; V251-L269 HydrophobicContact CG2-CD1 3.98Å; V251-A271 HydrophobicContact CB-CB 4.21Å; V251-A271 HydrophobicContact CG2-CB 3.82Å; V251-R273 PolarHBondContact N-O 3.27Å; V251-G275 PolarHBondContact O-N 2.98Å
252	H	98.6	Very high	97.5	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.056	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	114.9	165	-73.3	63.5	0	0	0	109.4	H53 H55 R139 R195 D220 L221 H276	H53-H252 AromaticContact CE1-CD2 3.82Å; H53-H252 AromaticContact CE1-CE1 3.39Å; H53-H252 PolarHBondContact CE1-CE1 3.11Å; H53-H252 AromaticContact CE1-NE2 3.24Å; H53-H252 PolarHBondContact CE1-NE2 3.22Å; H53-H252 AromaticContact NE2-CE1 3.67Å; H53-H252 AromaticContact NE2-NE2 3.22Å; H53-H252 PolarHBondContact NE2-NE2 2.86Å; H55-H252 AromaticContact NE2-CE1 3.53Å; H55-H252 AromaticContact NE2-NE2 3.43Å; H55-H252 PolarHBondContact NE2-NE2 3.16Å; R139-H252 PolarHBondContact NH1-CE1 3.35Å; R139-H252 VanDerWaalsContact NH1-CE1 3.34Å; R195-H252 PolarHBondContact NH2-O 3.05Å; D220-H252 PolarHBondContact OD1-N 3.13Å; D220-H252 IonicContact OD1-ND1 3.26Å; D220-H252 PolarHBondContact OD1-ND1 2.88Å; D220-H252 IonicContact OD2-CE1 3.78Å; D220-H252 PolarHBondContact OD2-CE1 3.09Å; D220-H252 IonicContact OD2-ND1 3.75Å; D220-H252 PolarHBondContact OD2-ND1 2.81Å; L221-H252 VanDerWaalsContact O-CB 3.31Å; L221-H252 WeakPolarHBondContact O-CB 3.5Å; L221-H252 PolarHBondContact O-N 2.67Å; L221-H252 VanDerWaalsContact O-N 3.1Å; H252-H276 AromaticContact CD2-CD2 3.58Å; H252-H276 AromaticContact CD2-NE2 3.2Å; H252-H276 PolarHBondContact CD2-NE2 3.19Å; H252-H276 AromaticContact NE2-NE2 3.67Å
253	A	97.8	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	146.3	176.7	0	0	0	0	0	111.2	E225 V251 E255 V262 A265 I274 G275 G277	E225-A253 VanDerWaalsContact OE1-CA 3.3Å; E225-A253 WeakPolarHBondContact OE1-CA 3.21Å; V251-A253 HydrophobicContact CG1-CB 4.29Å; V251-A253 PolarHBondContact O-N 3.38Å; A253-E255 PolarHBondContact O-N 3.18Å; A253-V262 HydrophobicContact CB-CB 4.47Å; A253-V262 HydrophobicContact CB-CG2 4.02Å; A253-A265 HydrophobicContact CB-CB 3.93Å; A253-I274 HydrophobicContact CB-CG2 4.3Å; A253-I274 VanDerWaalsContact O-CG2 3.31Å; A253-I274 WeakPolarHBondContact O-CG2 3.48Å; A253-G275 PolarHBondContact N-O 3.44Å; A253-G275 VanDerWaalsContact N-O 3.16Å; A253-G275 VanDerWaalsContact O-O 3.08Å; A253-G277 WeakPolarHBondContact O-CA 3.35Å; A253-G277 PolarHBondContact O-N 3.45Å
254	G	97.3	Very high	97.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	66.7	25.2	-177.7	0	0	0	0	0	113.3	E225 G277 Y278 N279	E225-G254 PolarHBondContact OE1-N 2.99Å; G254-G277 CarbonylContact O-C 3.57Å; G254-Y278 PolarHBondContact O-N 3.34Å; G254-N279 PolarHBondContact O-N 2.96Å
255	E	97.2	Very high	97.1	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.037	15%	0.151	C	C	.	.	S	Bend	trans	-76.2	-69.5	170.3	-169.9	-156.8	159.7	0	0	108.6	E225 A253 H276 Y278 N279 T307 A309	E225-E255 PolarHBondContact OE2-N 3.19Å; A253-E255 PolarHBondContact O-N 3.18Å; E255-H276 HydrophobicContact CB-CB 3.82Å; E255-H276 VanDerWaalsContact CB-CD2 3.47Å; E255-H276 WeakPolarHBondContact CB-CD2 3.41Å; E255-H276 HydrophobicContact CG-CB 4.01Å; E255-H276 IonicContact OE2-CD2 2.71Å; E255-H276 IonicContact OE2-NE2 3.53Å; E255-Y278 HydrophobicContact CG-CD2 4.39Å; E255-Y278 HydrophobicContact CG-CE2 4.1Å; E255-N279 PolarHBondContact O-ND2 3.13Å; E255-T307 WeakPolarHBondContact OE1-CB 3.45Å; E255-T307 PolarHBondContact OE1-OG1 3.05Å; E255-A309 HydrophobicContact CG-CB 3.75Å; E255-A309 WeakPolarHBondContact O-CB 3.43Å
256	V	95	Very high	97.1	Very high	54 Å²	54	24.9 Å²	24.9	33%	0.327	15%	0.147	S	C	.	.	S	Bend	trans	-109.6	-22.2	173.3	-60.5	0	0	0	0	111.4	L96 E225 A309	L96-V256 HydrophobicContact CB-CG1 4.07Å; L96-V256 HydrophobicContact CB-CG2 4.32Å; L96-V256 HydrophobicContact CD2-CG1 4.49Å; L96-V256 HydrophobicContact CD2-CG2 3.62Å; E225-V256 HydrophobicContact CB-CG2 3.82Å; E225-V256 PolarHBondContact OE2-N 3.09Å; V256-A309 HydrophobicContact CG1-CB 3.95Å
257	G	94	Very high	96.9	Very high	6 Å²	6	26.3 Å²	26.3	6%	0.062	14%	0.142	C	C	.	.	S	Bend	trans	-76.2	163.8	177.7	0	0	0	0	0	113.4	E225 N279	E225-G257 VanDerWaalsContact CD-CA 3.42Å; E225-G257 WeakPolarHBondContact OE1-CA 3.46Å; E225-G257 WeakPolarHBondContact OE2-CA 3.3Å; E225-G257 PolarHBondContact OE2-N 3.18Å; G257-N279 VanDerWaalsContact O-CB 3.27Å; G257-N279 WeakPolarHBondContact O-CB 3.23Å; G257-N279 PolarHBondContact O-ND2 3.4Å
258	P	95.6	Very high	96.7	Very high	58 Å²	58	30.7 Å²	30.7	38%	0.377	16%	0.162	S	C	.	.			trans	-72.9	164.5	-178.2	31.1	-36.8	0	0	0	112.8	S260 M261	P258-S260 WeakPolarHBondContact CG-OG 3.48Å; P258-S260 PolarHBondContact O-N 2.92Å; P258-M261 HydrophobicContact CG-CG 4.26Å; P258-M261 PolarHBondContact O-N 3.31Å
259	A	97.1	Very high	96.6	Very high	9 Å²	9	28 Å²	28	7%	0.074	15%	0.15	C	C	.	.	H	α-helix	trans	-53.8	-26.9	174.4	0	0	0	0	0	114	M261 V262 K263 N279 D283 L286	A259-M261 PolarHBondContact O-N 3.42Å; A259-V262 WeakPolarHBondContact O-CB 3.32Å; A259-V262 PolarHBondContact O-N 2.83Å; A259-V262 VanDerWaalsContact O-N 3.15Å; A259-K263 PolarHBondContact O-N 3.38Å; A259-N279 WeakPolarHBondContact CB-O 3.38Å; A259-D283 HydrophobicContact CB-CB 3.65Å; A259-L286 HydrophobicContact CB-CD2 4.18Å; A259-L286 VanDerWaalsContact O-CD2 3.23Å; A259-L286 WeakPolarHBondContact O-CD2 3.29Å
260	S	95.3	Very high	96.6	Very high	74 Å²	74	31.8 Å²	31.8	52%	0.517	17%	0.167	S	C	.	.	H	α-helix	trans	-62.9	-29.8	176.1	56.8	0	0	0	0	113	P258 K263 E264	P258-S260 WeakPolarHBondContact CG-OG 3.48Å; P258-S260 PolarHBondContact O-N 2.92Å; S260-K263 WeakPolarHBondContact O-CB 3.35Å; S260-K263 PolarHBondContact O-N 3.48Å; S260-E264 PolarHBondContact O-N 2.92Å
261	M	94.5	Very high	96.6	Very high	24 Å²	24	32.1 Å²	32.1	12%	0.118	17%	0.17	C	C	.	.	H	α-helix	trans	-73.5	-33	174.6	-70.9	-173.9	168.5	0	0	112	E225 P258 A259 K263 E264 A265	E225-M261 HydrophobicContact CG-SD 3.57Å; E225-M261 VanDerWaalsContact CG-SD 3.57Å; E225-M261 VanDerWaalsContact O-CE 3.28Å; E225-M261 WeakPolarHBondContact O-CE 3.36Å; E225-M261 VanDerWaalsContact O-SD 3.4Å; P258-M261 HydrophobicContact CG-CG 4.26Å; P258-M261 PolarHBondContact O-N 3.31Å; A259-M261 PolarHBondContact O-N 3.42Å; M261-K263 VanDerWaalsContact C-N 3.32Å; M261-E264 PolarHBondContact O-N 3.33Å; M261-A265 WeakPolarHBondContact O-CB 3.41Å; M261-A265 PolarHBondContact O-N 3.34Å
262	V	97.8	Very high	96.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-42.9	169.4	-178.1	0	0	0	0	109.9	A253 A259 E264 A265 V266 I274 T280 L286 L290	A253-V262 HydrophobicContact CB-CB 4.47Å; A253-V262 HydrophobicContact CB-CG2 4.02Å; A259-V262 WeakPolarHBondContact O-CB 3.32Å; A259-V262 PolarHBondContact O-N 2.83Å; A259-V262 VanDerWaalsContact O-N 3.15Å; V262-E264 PolarHBondContact O-N 2.98Å; V262-A265 PolarHBondContact O-N 3.02Å; V262-V266 WeakPolarHBondContact O-CG2 3.3Å; V262-V266 PolarHBondContact O-N 3.32Å; V262-I274 HydrophobicContact CG1-CD1 4.28Å; V262-I274 HydrophobicContact CG1-CG1 4.19Å; V262-I274 HydrophobicContact CG1-CG2 4.38Å; V262-T280 HydrophobicContact CG1-CG2 4.35Å; V262-L286 HydrophobicContact CB-CD2 4.16Å; V262-L286 HydrophobicContact CG1-CD2 4.31Å; V262-L290 HydrophobicContact CG1-CD1 3.76Å
263	K	96.9	Very high	96.6	Very high	93 Å²	93	34.8 Å²	34.8	40%	0.404	18%	0.183	S	C	.	.	H	α-helix	trans	-59.8	-45.2	175.2	-173.9	179.1	175.6	-177.7	0	111.7	A259 S260 M261 V266 E267 L286	A259-K263 PolarHBondContact O-N 3.38Å; S260-K263 WeakPolarHBondContact O-CB 3.35Å; S260-K263 PolarHBondContact O-N 3.48Å; M261-K263 VanDerWaalsContact C-N 3.32Å; K263-V266 PolarHBondContact O-N 3.12Å; K263-E267 VanDerWaalsContact CE-CD 3.47Å; K263-E267 WeakPolarHBondContact CE-OE2 3.41Å; K263-E267 HydrophobicContact CG-CG 4.11Å; K263-E267 VanDerWaalsContact O-CB 3.27Å; K263-E267 WeakPolarHBondContact O-CB 3.42Å; K263-E267 WeakPolarHBondContact O-CG 3.41Å; K263-E267 PolarHBondContact O-N 3.26Å; K263-L286 HydrophobicContact CB-CD1 4.15Å; K263-L286 HydrophobicContact CB-CD2 4.02Å; K263-L286 HydrophobicContact CG-CD1 4.34Å
264	E	94.6	Very high	96.6	Very high	25 Å²	25	34.8 Å²	34.8	12%	0.117	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-46.3	175.3	-176	179.5	178.1	0	0	111.8	L229 K236 S260 M261 V262 V266 E267 E268 L269	L229-E264 WeakPolarHBondContact CB-OE1 3.08Å; L229-E264 VanDerWaalsContact CD1-CD 3.49Å; L229-E264 HydrophobicContact CD1-CG 4.43Å; L229-E264 WeakPolarHBondContact CD1-OE1 3.46Å; L229-E264 WeakPolarHBondContact CD1-OE2 3.41Å; K236-E264 IonicContact NZ-OE1 3.8Å; S260-E264 PolarHBondContact O-N 2.92Å; M261-E264 PolarHBondContact O-N 3.33Å; V262-E264 PolarHBondContact O-N 2.98Å; E264-V266 VanDerWaalsContact C-N 3.27Å; E264-V266 PolarHBondContact O-N 2.63Å; E264-E267 PolarHBondContact O-N 3.18Å; E264-E268 HydrophobicContact CG-CB 4.11Å; E264-E268 HydrophobicContact CG-CG 4.06Å; E264-E268 WeakPolarHBondContact O-CA 3.42Å; E264-E268 VanDerWaalsContact O-CB 3.3Å; E264-E268 WeakPolarHBondContact O-CB 3.36Å; E264-E268 PolarHBondContact O-N 3.15Å; E264-L269 PolarHBondContact O-N 3.14Å; E264-L269 VanDerWaalsContact O-N 3.17Å
265	A	96.1	Very high	96.7	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.017	18%	0.183	C	C	.	.	H	α-helix	trans	-55.9	-42.6	177.3	0	0	0	0	0	112.1	V251 A253 M261 V262 L269 K270 A271 I274	V251-A265 HydrophobicContact CB-CB 3.87Å; V251-A265 HydrophobicContact CG1-CB 3.65Å; V251-A265 HydrophobicContact CG2-CB 4.27Å; A253-A265 HydrophobicContact CB-CB 3.93Å; M261-A265 WeakPolarHBondContact O-CB 3.41Å; M261-A265 PolarHBondContact O-N 3.34Å; V262-A265 PolarHBondContact O-N 3.02Å; A265-L269 CarbonylContact O-C 3.37Å; A265-L269 WeakPolarHBondContact O-CB 3.41Å; A265-L269 PolarHBondContact O-N 3.21Å; A265-K270 PolarHBondContact O-N 3.24Å; A265-K270 VanDerWaalsContact O-N 3.12Å; A265-A271 HydrophobicContact CB-CB 4.38Å; A265-A271 VanDerWaalsContact O-CB 3.27Å; A265-A271 WeakPolarHBondContact O-CB 3.3Å; A265-A271 PolarHBondContact O-N 2.81Å; A265-I274 HydrophobicContact CB-CD1 3.86Å
266	V	97.9	Very high	96.8	Very high	19 Å²	19	34.4 Å²	34.4	12%	0.115	18%	0.181	C	C	.	.	H	α-helix	trans	-78.1	-47.5	-179.7	177.3	0	0	0	0	112.2	V262 K263 E264 K270 I274 L290 M295	V262-V266 WeakPolarHBondContact O-CG2 3.3Å; V262-V266 PolarHBondContact O-N 3.32Å; K263-V266 PolarHBondContact O-N 3.12Å; E264-V266 VanDerWaalsContact C-N 3.27Å; E264-V266 PolarHBondContact O-N 2.63Å; V266-K270 WeakPolarHBondContact O-CA 3.23Å; V266-K270 PolarHBondContact O-N 3.35Å; V266-I274 HydrophobicContact CG2-CD1 3.82Å; V266-I274 HydrophobicContact CG2-CG1 4.31Å; V266-L290 HydrophobicContact CB-CD2 4.34Å; V266-L290 HydrophobicContact CG1-CD2 3.91Å; V266-L290 HydrophobicContact CG2-CD1 4.39Å; V266-L290 HydrophobicContact CG2-CD2 3.86Å; V266-M295 HydrophobicContact CG1-CE 4.26Å; V266-M295 HydrophobicContact CG2-CE 3.82Å
267	E	96.1	Very high	97	Very high	72 Å²	72	31.9 Å²	31.9	34%	0.336	17%	0.165	S	C	.	.	H	α-helix	trans	-84.6	-32.2	-169.6	-64.4	-171.8	167.6	0	0	112.8	K263 E264 K270 K289	K263-E267 VanDerWaalsContact CE-CD 3.47Å; K263-E267 WeakPolarHBondContact CE-OE2 3.41Å; K263-E267 HydrophobicContact CG-CG 4.11Å; K263-E267 VanDerWaalsContact O-CB 3.27Å; K263-E267 WeakPolarHBondContact O-CB 3.42Å; K263-E267 WeakPolarHBondContact O-CG 3.41Å; K263-E267 PolarHBondContact O-N 3.26Å; E264-E267 PolarHBondContact O-N 3.18Å; E267-K270 WeakPolarHBondContact O-CE 3.3Å; E267-K270 PolarHBondContact O-NZ 3.45Å; E267-K289 IonicContact OE1-NZ 3.94Å; E267-K289 PolarHBondContact OE1-NZ 3.15Å
268	E	94.3	Very high	97.2	Very high	98 Å²	98	31.6 Å²	31.6	46%	0.458	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-53.2	-177.9	-54.5	-167.1	-170.7	0	0	111.4	K236 E264 K270	K236-E268 VanDerWaalsContact CE-OE2 3.3Å; K236-E268 WeakPolarHBondContact CE-OE2 3.27Å; K236-E268 IonicContact NZ-OE2 2.89Å; K236-E268 PolarHBondContact NZ-OE2 2.79Å; E264-E268 HydrophobicContact CG-CB 4.11Å; E264-E268 HydrophobicContact CG-CG 4.06Å; E264-E268 WeakPolarHBondContact O-CA 3.42Å; E264-E268 VanDerWaalsContact O-CB 3.3Å; E264-E268 WeakPolarHBondContact O-CB 3.36Å; E264-E268 PolarHBondContact O-N 3.15Å; E268-K270 VanDerWaalsContact C-N 3.26Å; E268-K270 PolarHBondContact O-N 2.68Å
269	L	96.1	Very high	97.3	Very high	3 Å²	3	30 Å²	30	2%	0.016	15%	0.151	C	C	.	.	S	Bend	trans	-80.8	-6.3	-178.9	-53.3	-177.8	0	0	0	113.2	L221 K236 Y239 V251 E264 A265 A271	L221-L269 HydrophobicContact CD2-CD1 3.83Å; K236-L269 HydrophobicContact CG-CD2 4.05Å; Y239-L269 HydrophobicContact CD1-CB 3.75Å; Y239-L269 WeakPolarHBondContact CD1-O 3.31Å; Y239-L269 HydrophobicContact CD2-CD2 4.23Å; Y239-L269 HydrophobicContact CE1-CB 4.24Å; Y239-L269 HydrophobicContact CG-CB 3.95Å; Y239-L269 HydrophobicContact CG-CD2 4.07Å; Y239-L269 HydrophobicContact CG-CG 4.45Å; V251-L269 HydrophobicContact CG1-CD1 4.22Å; V251-L269 HydrophobicContact CG2-CB 4.23Å; V251-L269 HydrophobicContact CG2-CD1 3.98Å; E264-L269 PolarHBondContact O-N 3.14Å; E264-L269 VanDerWaalsContact O-N 3.17Å; A265-L269 CarbonylContact O-C 3.37Å; A265-L269 WeakPolarHBondContact O-CB 3.41Å; A265-L269 PolarHBondContact O-N 3.21Å; L269-A271 PolarHBondContact O-N 2.98Å
270	K	98.4	Very high	97.4	Very high	110 Å²	110	29.6 Å²	29.6	48%	0.478	15%	0.147	S	C	.	.			trans	54.9	37.6	178.6	-50.5	-54.1	-174.6	-173.7	0	112.9	V243 R249 A265 V266 E267 E268	V243-K270 HydrophobicContact CG2-CB 3.71Å; V243-K270 HydrophobicContact CG2-CG 3.87Å; R249-K270 PolarHBondContact NE-O 2.76Å; A265-K270 PolarHBondContact O-N 3.24Å; A265-K270 VanDerWaalsContact O-N 3.12Å; V266-K270 WeakPolarHBondContact O-CA 3.23Å; V266-K270 PolarHBondContact O-N 3.35Å; E267-K270 WeakPolarHBondContact O-CE 3.3Å; E267-K270 PolarHBondContact O-NZ 3.45Å; E268-K270 VanDerWaalsContact C-N 3.26Å; E268-K270 PolarHBondContact O-N 2.68Å
271	A	98.7	Very high	97.5	Very high	7 Å²	7	28.2 Å²	28.2	6%	0.058	13%	0.134	C	C	.	.			trans	-56	137.4	177.2	0	0	0	0	0	111.2	V251 A265 L269 I274	V251-A271 HydrophobicContact CB-CB 4.21Å; V251-A271 HydrophobicContact CG2-CB 3.82Å; A265-A271 HydrophobicContact CB-CB 4.38Å; A265-A271 VanDerWaalsContact O-CB 3.27Å; A265-A271 WeakPolarHBondContact O-CB 3.3Å; A265-A271 PolarHBondContact O-N 2.81Å; L269-A271 PolarHBondContact O-N 2.98Å; A271-I274 HydrophobicContact CB-CD1 3.98Å
272	E	98.9	Very high	97.7	Very high	67 Å²	67	33.2 Å²	33.2	31%	0.313	16%	0.157	S	C	.	.	S	Bend	trans	-94.6	-21.8	175.1	-66	168.2	95.9	0	0	111.7	H248 R249 F373	H248-E272 WeakPolarHBondContact CA-OE2 3.42Å; H248-E272 IonicContact CE1-OE1 2.73Å; H248-E272 IonicContact CG-OE2 3.7Å; H248-E272 IonicContact ND1-OE1 3.26Å; H248-E272 PolarHBondContact ND1-OE1 3.18Å; H248-E272 IonicContact ND1-OE2 2.85Å; H248-E272 PolarHBondContact ND1-OE2 2.56Å; H248-E272 VanDerWaalsContact ND1-OE2 3.16Å; R249-E272 IonicContact CZ-OE2 3.44Å; R249-E272 PolarHBondContact N-OE2 3.33Å; R249-E272 IonicContact NE-OE2 3.8Å; R249-E272 IonicContact NH1-OE2 2.86Å; R249-E272 PolarHBondContact NH1-OE2 3.01Å; R249-E272 IonicContact NH2-OE1 3.88Å; R249-E272 IonicContact NH2-OE2 2.72Å; R249-E272 PolarHBondContact NH2-OE2 3.01Å; R249-E272 WeakPolarHBondContact O-CB 3.16Å; R249-E272 PolarHBondContact O-N 3.2Å; E272-F373 HydrophobicContact CB-CE1 4.01Å; E272-F373 HydrophobicContact CB-CZ 4.38Å
273	R	98.9	Very high	97.7	Very high	2 Å²	2	36 Å²	36	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.5	173	-48.5	-165.8	-51.8	-143.9	0.9	109.8	E137 R249 T250 V251 H296 E298 S371 F373	E137-R273 IonicContact OE1-NH1 2.79Å; E137-R273 IonicContact OE2-CZ 2.63Å; E137-R273 IonicContact OE2-NH1 3.58Å; E137-R273 PolarHBondContact OE2-NH1 3.11Å; E137-R273 IonicContact OE2-NH2 2.96Å; E137-R273 PolarHBondContact OE2-NH2 2.94Å; R249-R273 PolarHBondContact O-N 2.97Å; T250-R273 WeakPolarHBondContact CA-O 3.16Å; T250-R273 PolarHBondContact OG1-O 3.18Å; V251-R273 PolarHBondContact N-O 3.27Å; R273-H296 WeakPolarHBondContact CA-O 3.37Å; R273-H296 HydrophobicContact CB-CB 4.26Å; R273-H296 HydrophobicContact CG-CB 3.92Å; R273-E298 HydrophobicContact CB-CG 4.44Å; R273-E298 IonicContact CZ-OE1 3.42Å; R273-E298 IonicContact NE-OE1 3.18Å; R273-E298 PolarHBondContact NE-OE1 3.34Å; R273-E298 IonicContact NH2-OE1 3.72Å; R273-E298 PolarHBondContact NH2-OE1 3.45Å; R273-S371 VanDerWaalsContact CD-O 3.29Å; R273-S371 WeakPolarHBondContact CD-O 3.42Å; R273-S371 PolarHBondContact NH1-O 3.36Å; R273-F373 HydrophobicContact CB-CZ 4.43Å; R273-F373 HydrophobicContact CG-CE1 4.06Å; R273-F373 HydrophobicContact CG-CZ 3.7Å; R273-F373 VanDerWaalsContact NH2-CE2 3.31Å
274	I	98.9	Very high	97.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.5	175.3	-59.8	-61.2	0	0	0	108.9	A253 V262 A265 V266 A271 H276 M295 H296 F297 E298	A253-I274 HydrophobicContact CB-CG2 4.3Å; A253-I274 VanDerWaalsContact O-CG2 3.31Å; A253-I274 WeakPolarHBondContact O-CG2 3.48Å; V262-I274 HydrophobicContact CG1-CD1 4.28Å; V262-I274 HydrophobicContact CG1-CG1 4.19Å; V262-I274 HydrophobicContact CG1-CG2 4.38Å; A265-I274 HydrophobicContact CB-CD1 3.86Å; V266-I274 HydrophobicContact CG2-CD1 3.82Å; V266-I274 HydrophobicContact CG2-CG1 4.31Å; A271-I274 HydrophobicContact CB-CD1 3.98Å; I274-H276 PolarHBondContact O-N 3.37Å; I274-M295 HydrophobicContact CG1-CG 4.09Å; I274-M295 HydrophobicContact CG1-SD 3.91Å; I274-H296 PolarHBondContact N-O 3.12Å; I274-F297 HydrophobicContact CB-CD1 3.99Å; I274-F297 HydrophobicContact CB-CE1 4.24Å; I274-F297 HydrophobicContact CG1-CE1 4.41Å; I274-F297 HydrophobicContact CG2-CD1 4.29Å; I274-F297 WeakPolarHBondContact O-CA 3.5Å; I274-E298 PolarHBondContact O-N 2.93Å
275	G	98.9	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	120.6	165	0	0	0	0	0	109.2	V251 A253 G277 E298	V251-G275 PolarHBondContact O-N 2.98Å; A253-G275 PolarHBondContact N-O 3.44Å; A253-G275 VanDerWaalsContact N-O 3.16Å; A253-G275 VanDerWaalsContact O-O 3.08Å; G275-G277 PolarHBondContact O-N 3.06Å; G275-G277 VanDerWaalsContact O-N 3.08Å; G275-E298 WeakPolarHBondContact CA-OE2 3.38Å
276	H	98.7	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.6	-90.9	-173.6	-43.9	-68.3	0	0	0	114.4	H53 H252 E255 I274 Y278 E298 D334	H53-H276 AromaticContact CE1-CE1 3.98Å; H53-H276 AromaticContact CE1-NE2 3.79Å; H53-H276 AromaticContact NE2-CE1 3.62Å; H53-H276 AromaticContact NE2-NE2 3.66Å; H252-H276 AromaticContact CD2-CD2 3.58Å; H252-H276 AromaticContact CD2-NE2 3.2Å; H252-H276 PolarHBondContact CD2-NE2 3.19Å; H252-H276 AromaticContact NE2-NE2 3.67Å; E255-H276 HydrophobicContact CB-CB 3.82Å; E255-H276 VanDerWaalsContact CB-CD2 3.47Å; E255-H276 WeakPolarHBondContact CB-CD2 3.41Å; E255-H276 HydrophobicContact CG-CB 4.01Å; E255-H276 IonicContact OE2-CD2 2.71Å; E255-H276 IonicContact OE2-NE2 3.53Å; I274-H276 PolarHBondContact O-N 3.37Å; H276-Y278 HydrophobicContact CB-CD2 3.95Å; H276-Y278 HydrophobicContact CB-CE1 4.39Å; H276-Y278 HydrophobicContact CB-CE2 3.54Å; H276-Y278 AromaticContact CG-CE2 3.95Å; H276-Y278 AromaticContact ND1-CE2 3.91Å; H276-Y278 AromaticContact ND1-CZ 3.88Å; H276-Y278 PolarHBondContact ND1-OH 2.96Å; H276-E298 VanDerWaalsContact CA-O 3.31Å; H276-E298 WeakPolarHBondContact CA-O 3.31Å; H276-E298 PolarHBondContact N-O 3.32Å; H276-D334 IonicContact CE1-OD2 2.98Å; H276-D334 PolarHBondContact CE1-OD2 3.02Å
277	G	98.4	Very high	98.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.			trans	73.5	19.4	-179.5	0	0	0	0	0	116	A253 G254 G275 N279 T280	A253-G277 WeakPolarHBondContact O-CA 3.35Å; A253-G277 PolarHBondContact O-N 3.45Å; G254-G277 CarbonylContact O-C 3.57Å; G275-G277 PolarHBondContact O-N 3.06Å; G275-G277 VanDerWaalsContact O-N 3.08Å; G277-N279 VanDerWaalsContact C-N 3.34Å; G277-N279 PolarHBondContact O-N 3.44Å; G277-T280 WeakPolarHBondContact O-CB 3.47Å; G277-T280 PolarHBondContact O-N 3.02Å; G277-T280 PolarHBondContact O-OG1 2.91Å
278	Y	98.6	Very high	98.2	Very high	1 Å²	1	46 Å²	46	0%	0.004	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-55.4	-46.7	179.6	-51.6	-48.1	0	0	0	112.7	G254 E255 H276 T280 L281 M299 C300 S304 A309 H317	G254-Y278 PolarHBondContact O-N 3.34Å; E255-Y278 HydrophobicContact CG-CD2 4.39Å; E255-Y278 HydrophobicContact CG-CE2 4.1Å; H276-Y278 HydrophobicContact CB-CD2 3.95Å; H276-Y278 HydrophobicContact CB-CE1 4.39Å; H276-Y278 HydrophobicContact CB-CE2 3.54Å; H276-Y278 AromaticContact CG-CE2 3.95Å; H276-Y278 AromaticContact ND1-CE2 3.91Å; H276-Y278 AromaticContact ND1-CZ 3.88Å; H276-Y278 PolarHBondContact ND1-OH 2.96Å; Y278-T280 PolarHBondContact O-N 3.31Å; Y278-L281 PolarHBondContact O-N 2.8Å; Y278-M299 HydrophobicContact CD1-SD 3.67Å; Y278-M299 HydrophobicContact CE1-CB 4.49Å; Y278-M299 HydrophobicContact CE1-SD 3.46Å; Y278-M299 WeakPolarHBondContact CE1-SD 3.36Å; Y278-C300 WeakPolarHBondContact OH-CA 3.39Å; Y278-C300 PolarHBondContact OH-N 2.74Å; Y278-C300 PolarHBondContact OH-O 3.39Å; Y278-S304 VanDerWaalsContact CZ-CB 3.44Å; Y278-S304 WeakPolarHBondContact OH-CB 3.42Å; Y278-A309 HydrophobicContact CD2-CB 4.11Å; Y278-A309 HydrophobicContact CE2-CB 4.2Å; Y278-H317 AromaticContact CE1-CE1 3.81Å
279	N	98.2	Very high	98.4	Very high	25 Å²	25	45 Å²	45	13%	0.134	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-75.4	-3.1	-176	-72.5	-23.6	0	0	0	113.7	G254 E255 G257 A259 G277 L281 Q282	G254-N279 PolarHBondContact O-N 2.96Å; E255-N279 PolarHBondContact O-ND2 3.13Å; G257-N279 VanDerWaalsContact O-CB 3.27Å; G257-N279 WeakPolarHBondContact O-CB 3.23Å; G257-N279 PolarHBondContact O-ND2 3.4Å; A259-N279 WeakPolarHBondContact CB-O 3.38Å; G277-N279 VanDerWaalsContact C-N 3.34Å; G277-N279 PolarHBondContact O-N 3.44Å; N279-L281 PolarHBondContact O-N 2.91Å; N279-Q282 HydrophobicContact CB-CG 4.35Å; N279-Q282 VanDerWaalsContact O-CB 3.3Å; N279-Q282 WeakPolarHBondContact O-CB 3.19Å; N279-Q282 WeakPolarHBondContact O-CG 3.42Å; N279-Q282 PolarHBondContact O-N 3.37Å; N279-Q282 PolarHBondContact OD1-NE2 2.97Å
280	T	98.7	Very high	98.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-53	-35.8	168.4	-48.9	0	0	0	0	111.2	V262 G277 Y278 Q282 D283 L286 Y287 L290 F297	V262-T280 HydrophobicContact CG1-CG2 4.35Å; G277-T280 WeakPolarHBondContact O-CB 3.47Å; G277-T280 PolarHBondContact O-N 3.02Å; G277-T280 PolarHBondContact O-OG1 2.91Å; Y278-T280 PolarHBondContact O-N 3.31Å; T280-Q282 PolarHBondContact O-N 3.05Å; T280-Q282 VanDerWaalsContact O-N 3.13Å; T280-D283 CarbonylContact O-C 3.55Å; T280-D283 PolarHBondContact O-N 3.28Å; T280-D283 VanDerWaalsContact O-N 3.09Å; T280-L286 HydrophobicContact CG2-CD2 4.28Å; T280-L286 HydrophobicContact CG2-CG 4.24Å; T280-Y287 HydrophobicContact CG2-CD2 4.21Å; T280-L290 HydrophobicContact CG2-CD1 3.79Å; T280-F297 HydrophobicContact CG2-CE1 4.33Å; T280-F297 HydrophobicContact CG2-CZ 4.33Å
281	L	98.4	Very high	98.6	Very high	45 Å²	45	42.4 Å²	42.4	24%	0.236	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64.2	-15.9	179.8	-64.7	-175.8	0	0	0	114.4	Y278 N279 D283 Y287 P318 T321 F322	Y278-L281 PolarHBondContact O-N 2.8Å; N279-L281 PolarHBondContact O-N 2.91Å; L281-D283 VanDerWaalsContact C-N 3.25Å; L281-D283 PolarHBondContact O-N 3.39Å; L281-Y287 HydrophobicContact CD2-CD1 3.74Å; L281-Y287 HydrophobicContact CD2-CD2 3.68Å; L281-Y287 HydrophobicContact CD2-CE1 3.72Å; L281-Y287 HydrophobicContact CD2-CE2 3.66Å; L281-Y287 HydrophobicContact CD2-CG 3.71Å; L281-P318 HydrophobicContact CD1-CB 3.77Å; L281-T321 HydrophobicContact CD1-CG2 4.12Å; L281-T321 HydrophobicContact CD2-CG2 3.97Å; L281-F322 HydrophobicContact CD1-CD2 4.33Å; L281-F322 HydrophobicContact CD1-CE2 3.84Å; L281-F322 HydrophobicContact CD2-CE2 3.98Å; L281-F322 HydrophobicContact CD2-CZ 4.18Å; L281-F322 HydrophobicContact CG-CE2 3.75Å; L281-F322 HydrophobicContact CG-CZ 4.16Å
282	Q	97.9	Very high	98.6	Very high	129 Å²	129	49.3 Å²	49.3	60%	0.603	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-69.8	-26.4	175.6	-58.8	-179.6	8.9	0	0	111.6	N279 T280	N279-Q282 HydrophobicContact CB-CG 4.35Å; N279-Q282 VanDerWaalsContact O-CB 3.3Å; N279-Q282 WeakPolarHBondContact O-CB 3.19Å; N279-Q282 WeakPolarHBondContact O-CG 3.42Å; N279-Q282 PolarHBondContact O-N 3.37Å; N279-Q282 PolarHBondContact OD1-NE2 2.97Å; T280-Q282 PolarHBondContact O-N 3.05Å; T280-Q282 VanDerWaalsContact O-N 3.13Å
283	D	98.4	Very high	98.5	Very high	59 Å²	59	51.1 Å²	51.1	32%	0.316	24%	0.238	S	C	.	.	S	Bend	trans	-111.3	101.1	173	-175.7	-22.7	0	0	0	109.8	A259 T280 L281 D285 L286 Y287	A259-D283 HydrophobicContact CB-CB 3.65Å; T280-D283 CarbonylContact O-C 3.55Å; T280-D283 PolarHBondContact O-N 3.28Å; T280-D283 VanDerWaalsContact O-N 3.09Å; L281-D283 VanDerWaalsContact C-N 3.25Å; L281-D283 PolarHBondContact O-N 3.39Å; D283-D285 VanDerWaalsContact C-N 3.27Å; D283-D285 PolarHBondContact O-N 3.3Å; D283-D285 PolarHBondContact OD1-N 3.36Å; D283-L286 HydrophobicContact CB-CB 3.85Å; D283-L286 VanDerWaalsContact CG-CB 3.49Å; D283-L286 PolarHBondContact O-N 2.72Å; D283-L286 PolarHBondContact OD1-N 3.13Å; D283-Y287 WeakPolarHBondContact O-CB 3.38Å; D283-Y287 PolarHBondContact O-N 2.73Å
284	K	98.1	Very high	98.5	Very high	160 Å²	160	56 Å²	56	70%	0.696	26%	0.264	S	S	*	.	H	α-helix	trans	-65	-29.8	-176.4	-66.4	-177.9	-179.2	177	0	113.3	R288	K284-R288 WeakPolarHBondContact O-CB 3.32Å; K284-R288 PolarHBondContact O-N 3.45Å; K284-R288 VanDerWaalsContact O-N 3.08Å
285	D	98.4	Very high	98.5	Very high	105 Å²	105	56.8 Å²	56.8	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-79.5	-41	-178.3	-69.2	-28.7	0	0	0	110.3	D283 R288 K289	D283-D285 VanDerWaalsContact C-N 3.27Å; D283-D285 PolarHBondContact O-N 3.3Å; D283-D285 PolarHBondContact OD1-N 3.36Å; D285-R288 PolarHBondContact O-N 2.91Å; D285-R288 IonicContact OD1-CZ 2.81Å; D285-R288 IonicContact OD1-NH1 2.79Å; D285-R288 PolarHBondContact OD1-NH1 3.34Å; D285-R288 IonicContact OD1-NH2 2.74Å; D285-R288 PolarHBondContact OD1-NH2 3.41Å; D285-K289 WeakPolarHBondContact O-CB 3.35Å; D285-K289 PolarHBondContact O-N 2.86Å
286	L	98.6	Very high	98.5	Very high	9 Å²	9	56.9 Å²	56.9	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-59.2	-50.9	169.5	179.2	63.7	0	0	0	111.1	A259 V262 K263 T280 D283 R288 K289 L290	A259-L286 HydrophobicContact CB-CD2 4.18Å; A259-L286 VanDerWaalsContact O-CD2 3.23Å; A259-L286 WeakPolarHBondContact O-CD2 3.29Å; V262-L286 HydrophobicContact CB-CD2 4.16Å; V262-L286 HydrophobicContact CG1-CD2 4.31Å; K263-L286 HydrophobicContact CB-CD1 4.15Å; K263-L286 HydrophobicContact CB-CD2 4.02Å; K263-L286 HydrophobicContact CG-CD1 4.34Å; T280-L286 HydrophobicContact CG2-CD2 4.28Å; T280-L286 HydrophobicContact CG2-CG 4.24Å; D283-L286 HydrophobicContact CB-CB 3.85Å; D283-L286 VanDerWaalsContact CG-CB 3.49Å; D283-L286 PolarHBondContact O-N 2.72Å; D283-L286 PolarHBondContact OD1-N 3.13Å; L286-R288 VanDerWaalsContact C-N 3.33Å; L286-R288 PolarHBondContact O-N 3.26Å; L286-K289 WeakPolarHBondContact O-CB 3.19Å; L286-K289 PolarHBondContact O-N 2.89Å; L286-K289 VanDerWaalsContact O-N 3.17Å; L286-L290 HydrophobicContact CD1-CD1 4.07Å; L286-L290 HydrophobicContact CD1-CD2 4.42Å; L286-L290 HydrophobicContact CD1-CG 4.05Å; L286-L290 HydrophobicContact CG-CD1 4.06Å; L286-L290 HydrophobicContact CG-CG 4.33Å; L286-L290 WeakPolarHBondContact O-CG 3.29Å; L286-L290 PolarHBondContact O-N 3.1Å
287	Y	98.8	Very high	98.5	Very high	21 Å²	21	56.9 Å²	56.9	8%	0.082	27%	0.269	C	S	.	.	H	α-helix	trans	-57.7	-45	180	175.6	-118.7	0	0	0	112.2	T280 L281 D283 K289 L290 L291 F322 D325	T280-Y287 HydrophobicContact CG2-CD2 4.21Å; L281-Y287 HydrophobicContact CD2-CD1 3.74Å; L281-Y287 HydrophobicContact CD2-CD2 3.68Å; L281-Y287 HydrophobicContact CD2-CE1 3.72Å; L281-Y287 HydrophobicContact CD2-CE2 3.66Å; L281-Y287 HydrophobicContact CD2-CG 3.71Å; D283-Y287 WeakPolarHBondContact O-CB 3.38Å; D283-Y287 PolarHBondContact O-N 2.73Å; Y287-K289 PolarHBondContact O-N 3Å; Y287-L290 PolarHBondContact O-N 3.05Å; Y287-L291 WeakPolarHBondContact O-CB 3.49Å; Y287-L291 PolarHBondContact O-N 2.92Å; Y287-F322 HydrophobicContact CD2-CE1 4.2Å; Y287-F322 HydrophobicContact CD2-CZ 4.39Å; Y287-F322 AromaticContact CE2-CD1 3.88Å; Y287-F322 HydrophobicContact CE2-CD1 3.88Å; Y287-F322 AromaticContact CE2-CE1 3.58Å; Y287-F322 HydrophobicContact CE2-CE1 3.58Å; Y287-F322 HydrophobicContact CE2-CZ 4.01Å; Y287-D325 VanDerWaalsContact CE1-OD2 3.24Å; Y287-D325 WeakPolarHBondContact CE1-OD2 3.43Å; Y287-D325 WeakPolarHBondContact OH-CB 3.4Å; Y287-D325 PolarHBondContact OH-OD2 2.85Å
288	R	98.7	Very high	98.6	Very high	124 Å²	124	56.9 Å²	56.9	47%	0.468	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-46.6	176.4	-170.5	-172.8	-53.6	108.2	7.1	111.6	K284 D285 L286 L290 L291 E292	K284-R288 WeakPolarHBondContact O-CB 3.32Å; K284-R288 PolarHBondContact O-N 3.45Å; K284-R288 VanDerWaalsContact O-N 3.08Å; D285-R288 PolarHBondContact O-N 2.91Å; D285-R288 IonicContact OD1-CZ 2.81Å; D285-R288 IonicContact OD1-NH1 2.79Å; D285-R288 PolarHBondContact OD1-NH1 3.34Å; D285-R288 IonicContact OD1-NH2 2.74Å; D285-R288 PolarHBondContact OD1-NH2 3.41Å; L286-R288 VanDerWaalsContact C-N 3.33Å; L286-R288 PolarHBondContact O-N 3.26Å; R288-L290 PolarHBondContact O-N 3.05Å; R288-L291 PolarHBondContact O-N 3.22Å; R288-E292 WeakPolarHBondContact O-CG 3.32Å; R288-E292 PolarHBondContact O-N 3.11Å
289	K	98.6	Very high	98.6	Very high	79 Å²	79	56.9 Å²	56.9	34%	0.343	27%	0.269	S	S	.	.	H	α-helix	trans	-59.4	-45.6	177.5	178.4	-178.4	173.4	-176.9	0	111.6	E267 D285 L286 Y287 L291 E292 Q293	E267-K289 IonicContact OE1-NZ 3.94Å; E267-K289 PolarHBondContact OE1-NZ 3.15Å; D285-K289 WeakPolarHBondContact O-CB 3.35Å; D285-K289 PolarHBondContact O-N 2.86Å; L286-K289 WeakPolarHBondContact O-CB 3.19Å; L286-K289 PolarHBondContact O-N 2.89Å; L286-K289 VanDerWaalsContact O-N 3.17Å; Y287-K289 PolarHBondContact O-N 3Å; K289-L291 VanDerWaalsContact C-N 3.35Å; K289-E292 PolarHBondContact O-N 3.34Å; K289-Q293 WeakPolarHBondContact O-CB 3.49Å; K289-Q293 VanDerWaalsContact O-CG 3.27Å; K289-Q293 WeakPolarHBondContact O-CG 3.21Å; K289-Q293 PolarHBondContact O-N 3.29Å
290	L	98.8	Very high	98.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.9	-33.9	-179.9	-64.9	-174.2	0	0	0	112.5	V262 V266 T280 L286 Y287 R288 Q293 N294 M295 F297	V262-L290 HydrophobicContact CG1-CD1 3.76Å; V266-L290 HydrophobicContact CB-CD2 4.34Å; V266-L290 HydrophobicContact CG1-CD2 3.91Å; V266-L290 HydrophobicContact CG2-CD1 4.39Å; V266-L290 HydrophobicContact CG2-CD2 3.86Å; T280-L290 HydrophobicContact CG2-CD1 3.79Å; L286-L290 HydrophobicContact CD1-CD1 4.07Å; L286-L290 HydrophobicContact CD1-CD2 4.42Å; L286-L290 HydrophobicContact CD1-CG 4.05Å; L286-L290 HydrophobicContact CG-CD1 4.06Å; L286-L290 HydrophobicContact CG-CG 4.33Å; L286-L290 WeakPolarHBondContact O-CG 3.29Å; L286-L290 PolarHBondContact O-N 3.1Å; Y287-L290 PolarHBondContact O-N 3.05Å; R288-L290 PolarHBondContact O-N 3.05Å; L290-Q293 PolarHBondContact O-N 3.43Å; L290-N294 PolarHBondContact O-N 3.42Å; L290-M295 HydrophobicContact CB-CB 3.87Å; L290-M295 HydrophobicContact CB-CG 4.38Å; L290-M295 HydrophobicContact CD2-CB 4.38Å; L290-M295 HydrophobicContact CD2-CE 4.33Å; L290-M295 HydrophobicContact CD2-CG 4.47Å; L290-M295 VanDerWaalsContact O-CB 3.31Å; L290-M295 WeakPolarHBondContact O-CB 3.49Å; L290-M295 PolarHBondContact O-N 3.26Å; L290-F297 HydrophobicContact CB-CZ 4.05Å; L290-F297 HydrophobicContact CD1-CE1 4.36Å; L290-F297 HydrophobicContact CD1-CZ 3.96Å
291	L	98.6	Very high	98.6	Very high	58 Å²	58	55.7 Å²	55.7	30%	0.304	26%	0.262	S	S	.	.	H	α-helix	trans	-63.9	-45.6	172.9	-171.5	66.6	0	0	0	111.4	Y287 R288 K289 Q293 N294 D325 A327	Y287-L291 WeakPolarHBondContact O-CB 3.49Å; Y287-L291 PolarHBondContact O-N 2.92Å; R288-L291 PolarHBondContact O-N 3.22Å; K289-L291 VanDerWaalsContact C-N 3.35Å; L291-Q293 VanDerWaalsContact C-N 3.29Å; L291-Q293 PolarHBondContact O-N 3.31Å; L291-N294 PolarHBondContact O-N 2.56Å; L291-D325 HydrophobicContact CD2-CB 4.24Å; L291-A327 HydrophobicContact CD1-CB 3.63Å
292	E	98.5	Very high	98.6	Very high	151 Å²	151	54.2 Å²	54.2	71%	0.706	26%	0.255	S	S	*	.	H	α-helix	trans	-62.8	-34.6	175.8	-72.4	170.7	-169.4	0	0	112.6	R288 K289 N294	R288-E292 WeakPolarHBondContact O-CG 3.32Å; R288-E292 PolarHBondContact O-N 3.11Å; K289-E292 PolarHBondContact O-N 3.34Å; E292-N294 PolarHBondContact O-N 3.2Å
293	Q	98.3	Very high	98.7	Very high	106 Å²	106	48.1 Å²	48.1	50%	0.495	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.2	175.2	-69.9	176.8	-16.5	0	0	113.6	K289 L290 L291 M295	K289-Q293 WeakPolarHBondContact O-CB 3.49Å; K289-Q293 VanDerWaalsContact O-CG 3.27Å; K289-Q293 WeakPolarHBondContact O-CG 3.21Å; K289-Q293 PolarHBondContact O-N 3.29Å; L290-Q293 PolarHBondContact O-N 3.43Å; L291-Q293 VanDerWaalsContact C-N 3.29Å; L291-Q293 PolarHBondContact O-N 3.31Å; Q293-M295 PolarHBondContact O-N 3.2Å
294	N	98.7	Very high	98.7	Very high	104 Å²	104	45.3 Å²	45.3	56%	0.556	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	34.6	-175.8	-167.5	53.5	0	0	0	113.2	L290 L291 E292 H296 N328	L290-N294 PolarHBondContact O-N 3.42Å; L291-N294 PolarHBondContact O-N 2.56Å; E292-N294 PolarHBondContact O-N 3.2Å; N294-H296 PolarHBondContact O-N 3.19Å; N294-N328 PolarHBondContact O-ND2 3.33Å; N294-N328 WeakPolarHBondContact OD1-CB 3.22Å
295	M	98.9	Very high	98.7	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.079	19%	0.189	C	C	.	.			trans	-54.4	132.7	176.6	178.2	54.1	66.2	0	0	110.5	V266 I274 L290 Q293 F297	V266-M295 HydrophobicContact CG1-CE 4.26Å; V266-M295 HydrophobicContact CG2-CE 3.82Å; I274-M295 HydrophobicContact CG1-CG 4.09Å; I274-M295 HydrophobicContact CG1-SD 3.91Å; L290-M295 HydrophobicContact CB-CB 3.87Å; L290-M295 HydrophobicContact CB-CG 4.38Å; L290-M295 HydrophobicContact CD2-CB 4.38Å; L290-M295 HydrophobicContact CD2-CE 4.33Å; L290-M295 HydrophobicContact CD2-CG 4.47Å; L290-M295 VanDerWaalsContact O-CB 3.31Å; L290-M295 WeakPolarHBondContact O-CB 3.49Å; L290-M295 PolarHBondContact O-N 3.26Å; Q293-M295 PolarHBondContact O-N 3.2Å; M295-F297 HydrophobicContact CB-CE2 4.03Å; M295-F297 HydrophobicContact CB-CZ 4.24Å; M295-F297 HydrophobicContact CG-CD2 4.5Å; M295-F297 HydrophobicContact CG-CE1 4.31Å; M295-F297 HydrophobicContact CG-CE2 3.96Å; M295-F297 HydrophobicContact CG-CZ 3.86Å; M295-F297 WeakPolarHBondContact O-CD2 3.4Å
296	H	98.9	Very high	98.6	Very high	2 Å²	2	36 Å²	36	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.9	176.5	-169.9	88.5	0	0	0	111	R273 I274 N294 N328 S330 S371	R273-H296 WeakPolarHBondContact CA-O 3.37Å; R273-H296 HydrophobicContact CB-CB 4.26Å; R273-H296 HydrophobicContact CG-CB 3.92Å; I274-H296 PolarHBondContact N-O 3.12Å; N294-H296 PolarHBondContact O-N 3.19Å; H296-N328 WeakPolarHBondContact CA-O 3.4Å; H296-N328 PolarHBondContact ND1-OD1 2.81Å; H296-S330 PolarHBondContact CE1-N 2.85Å; H296-S330 VanDerWaalsContact NE2-CB 3.35Å; H296-S330 WeakPolarHBondContact NE2-CB 3.23Å; H296-S330 PolarHBondContact NE2-N 3.41Å; H296-S330 PolarHBondContact NE2-OG 2.88Å; H296-S371 VanDerWaalsContact ND1-CB 3.27Å; H296-S371 WeakPolarHBondContact ND1-CB 3.49Å; H296-S371 PolarHBondContact ND1-OG 2.9Å
297	F	98.9	Very high	98.6	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.4	175.9	-62.4	-87.7	0	0	0	111.1	I274 T280 L290 M295 M299 F322 N328 Y329 S330	I274-F297 HydrophobicContact CB-CD1 3.99Å; I274-F297 HydrophobicContact CB-CE1 4.24Å; I274-F297 HydrophobicContact CG1-CE1 4.41Å; I274-F297 HydrophobicContact CG2-CD1 4.29Å; I274-F297 WeakPolarHBondContact O-CA 3.5Å; T280-F297 HydrophobicContact CG2-CE1 4.33Å; T280-F297 HydrophobicContact CG2-CZ 4.33Å; L290-F297 HydrophobicContact CB-CZ 4.05Å; L290-F297 HydrophobicContact CD1-CE1 4.36Å; L290-F297 HydrophobicContact CD1-CZ 3.96Å; M295-F297 HydrophobicContact CB-CE2 4.03Å; M295-F297 HydrophobicContact CB-CZ 4.24Å; M295-F297 HydrophobicContact CG-CD2 4.5Å; M295-F297 HydrophobicContact CG-CE1 4.31Å; M295-F297 HydrophobicContact CG-CE2 3.96Å; M295-F297 HydrophobicContact CG-CZ 3.86Å; M295-F297 WeakPolarHBondContact O-CD2 3.4Å; F297-M299 HydrophobicContact CB-CE 3.47Å; F297-M299 VanDerWaalsContact CB-CE 3.47Å; F297-M299 HydrophobicContact CB-CG 4.46Å; F297-M299 HydrophobicContact CB-SD 4.4Å; F297-M299 HydrophobicContact CG-CE 4.06Å; F297-M299 PolarHBondContact O-N 3.22Å; F297-F322 HydrophobicContact CB-CE1 4.42Å; F297-F322 AromaticContact CD1-CE1 3.99Å; F297-F322 HydrophobicContact CD1-CE1 3.99Å; F297-F322 HydrophobicContact CD1-CZ 4.44Å; F297-F322 AromaticContact CD2-CD1 3.9Å; F297-F322 HydrophobicContact CD2-CD1 3.9Å; F297-F322 AromaticContact CD2-CE1 3.54Å; F297-F322 HydrophobicContact CD2-CE1 3.54Å; F297-F322 HydrophobicContact CE1-CE1 4.08Å; F297-F322 HydrophobicContact CE2-CD1 4.25Å; F297-F322 AromaticContact CE2-CE1 3.66Å; F297-F322 HydrophobicContact CE2-CE1 3.66Å; F297-F322 HydrophobicContact CG-CD1 4.27Å; F297-F322 AromaticContact CG-CE1 3.71Å; F297-F322 HydrophobicContact CG-CE1 3.71Å; F297-F322 AromaticContact CZ-CE1 3.92Å; F297-F322 HydrophobicContact CZ-CE1 3.92Å; F297-N328 PolarHBondContact N-O 3.4Å; F297-Y329 CarbonylContact O-C 3.44Å; F297-Y329 WeakPolarHBondContact O-CA 3.34Å; F297-Y329 WeakPolarHBondContact O-CB 3.46Å; F297-S330 PolarHBondContact O-N 2.78Å
298	E	98.9	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	89.3	-177.7	-53.8	167.4	169.7	0	0	109.4	H53 R139 T250 R273 I274 G275 H276 S330	H53-E298 HydrophobicContact CB-CB 3.73Å; H53-E298 HydrophobicContact CB-CG 4.39Å; H53-E298 IonicContact CE1-OE2 3.33Å; H53-E298 IonicContact CG-OE2 3.13Å; H53-E298 IonicContact ND1-OE2 2.72Å; H53-E298 PolarHBondContact ND1-OE2 3.08Å; R139-E298 IonicContact CZ-OE2 2.71Å; R139-E298 IonicContact NH1-OE2 2.71Å; R139-E298 PolarHBondContact NH1-OE2 2.98Å; R139-E298 VanDerWaalsContact NH2-CD 3.33Å; R139-E298 IonicContact NH2-OE1 2.79Å; R139-E298 PolarHBondContact NH2-OE1 2.79Å; R139-E298 IonicContact NH2-OE2 3.83Å; R139-E298 PolarHBondContact NH2-OE2 3.47Å; T250-E298 PolarHBondContact OG1-OE1 3.12Å; T250-E298 PolarHBondContact OG1-OE2 3.14Å; R273-E298 HydrophobicContact CB-CG 4.44Å; R273-E298 IonicContact CZ-OE1 3.42Å; R273-E298 IonicContact NE-OE1 3.18Å; R273-E298 PolarHBondContact NE-OE1 3.34Å; R273-E298 IonicContact NH2-OE1 3.72Å; R273-E298 PolarHBondContact NH2-OE1 3.45Å; I274-E298 PolarHBondContact O-N 2.93Å; G275-E298 WeakPolarHBondContact CA-OE2 3.38Å; H276-E298 VanDerWaalsContact CA-O 3.31Å; H276-E298 WeakPolarHBondContact CA-O 3.31Å; H276-E298 PolarHBondContact N-O 3.32Å; E298-S330 WeakPolarHBondContact CA-OG 3.47Å
299	M	98.8	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	136.9	-170	-56.9	-76	-176	0	0	111.7	Y278 F297 I319 F322 Y329 S330 L331 N332	Y278-M299 HydrophobicContact CD1-SD 3.67Å; Y278-M299 HydrophobicContact CE1-CB 4.49Å; Y278-M299 HydrophobicContact CE1-SD 3.46Å; Y278-M299 WeakPolarHBondContact CE1-SD 3.36Å; F297-M299 HydrophobicContact CB-CE 3.47Å; F297-M299 VanDerWaalsContact CB-CE 3.47Å; F297-M299 HydrophobicContact CB-CG 4.46Å; F297-M299 HydrophobicContact CB-SD 4.4Å; F297-M299 HydrophobicContact CG-CE 4.06Å; F297-M299 PolarHBondContact O-N 3.22Å; M299-I319 HydrophobicContact CB-CD1 3.69Å; M299-I319 HydrophobicContact CB-CG1 4.3Å; M299-I319 HydrophobicContact CG-CD1 3.9Å; M299-I319 HydrophobicContact CG-CG1 4Å; M299-F322 HydrophobicContact CE-CB 4.3Å; M299-F322 HydrophobicContact CE-CD1 3.53Å; M299-F322 HydrophobicContact CE-CD2 3.47Å; M299-F322 VanDerWaalsContact CE-CD2 3.47Å; M299-F322 HydrophobicContact CE-CE1 3.54Å; M299-F322 HydrophobicContact CE-CE2 3.49Å; M299-F322 VanDerWaalsContact CE-CE2 3.49Å; M299-F322 HydrophobicContact CE-CG 3.5Å; M299-F322 HydrophobicContact CE-CZ 3.53Å; M299-Y329 HydrophobicContact CG-CD2 4.27Å; M299-Y329 HydrophobicContact CG-CG 4.45Å; M299-S330 VanDerWaalsContact CB-O 3.3Å; M299-S330 WeakPolarHBondContact CB-O 3.44Å; M299-S330 PolarHBondContact N-O 2.9Å; M299-S330 VanDerWaalsContact N-O 3.16Å; M299-L331 CarbonylContact O-C 3.16Å; M299-L331 WeakPolarHBondContact O-CA 3.41Å; M299-N332 PolarHBondContact N-ND2 3.45Å; M299-N332 PolarHBondContact O-N 3.1Å; M299-N332 PolarHBondContact O-ND2 3.3Å; M299-N332 VanDerWaalsContact O-ND2 3.15Å
300	C	98.8	Very high	98.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.155	C	C	.	.			trans	-129.3	79.6	-177.3	-48.1	0	0	0	0	110.1	Y278 I302 S303 S304 N332 D334	Y278-C300 WeakPolarHBondContact OH-CA 3.39Å; Y278-C300 PolarHBondContact OH-N 2.74Å; Y278-C300 PolarHBondContact OH-O 3.39Å; C300-I302 PolarHBondContact O-N 2.9Å; C300-S303 PolarHBondContact O-N 3.43Å; C300-S304 WeakPolarHBondContact O-CB 3.43Å; C300-S304 PolarHBondContact O-N 2.99Å; C300-N332 WeakPolarHBondContact CA-O 3.17Å; C300-D334 HydrophobicContact CB-CB 3.94Å
301	P	98.6	Very high	98.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58	-45.1	-168.9	-26	33.4	0	0	0	115.6	S304 K305 F314 I319 L331 D346 V350 M354	P301-S304 PolarHBondContact O-OG 2.89Å; P301-K305 PolarHBondContact O-N 2.96Å; P301-F314 WeakPolarHBondContact O-CE1 3.47Å; P301-I319 HydrophobicContact CG-CD1 4.49Å; P301-L331 HydrophobicContact CG-CD2 3.81Å; P301-D346 VanDerWaalsContact CD-OD1 3.32Å; P301-D346 WeakPolarHBondContact CD-OD1 3.41Å; P301-V350 HydrophobicContact CB-CG1 4.01Å; P301-V350 HydrophobicContact CG-CG1 3.59Å; P301-M354 HydrophobicContact CB-CE 4.33Å
302	I	98.6	Very high	98	Very high	15 Å²	15	31.7 Å²	31.7	8%	0.077	18%	0.181	C	C	.	.	H	α-helix	trans	-70.4	-44.7	179.1	-68.3	169.6	0	0	0	110.6	C300 S304 K305 L306 F339 L345 D346 I349	C300-I302 PolarHBondContact O-N 2.9Å; I302-S304 PolarHBondContact O-N 3.21Å; I302-K305 PolarHBondContact O-N 3.43Å; I302-L306 HydrophobicContact CG2-CD1 3.82Å; I302-L306 HydrophobicContact CG2-CG 4.45Å; I302-L306 WeakPolarHBondContact O-CG 3.48Å; I302-L306 PolarHBondContact O-N 2.81Å; I302-L306 VanDerWaalsContact O-N 3.1Å; I302-F339 HydrophobicContact CG2-CB 4.25Å; I302-L345 HydrophobicContact CD1-CB 4.02Å; I302-L345 HydrophobicContact CD1-CD2 3.73Å; I302-L345 HydrophobicContact CD1-CG 3.55Å; I302-D346 WeakPolarHBondContact CB-OD1 3.49Å; I302-D346 HydrophobicContact CD1-CB 4.43Å; I302-D346 VanDerWaalsContact CG1-OD1 3.29Å; I302-D346 WeakPolarHBondContact CG1-OD1 3.49Å; I302-D346 PolarHBondContact N-OD1 3.08Å; I302-I349 HydrophobicContact CD1-CG1 4.23Å; I302-I349 HydrophobicContact CG1-CG1 4.22Å
303	S	98.6	Very high	97.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-53.1	-52.8	174.9	166.7	0	0	0	0	111	C300 K305 L306 T307 D334 F339	C300-S303 PolarHBondContact O-N 3.43Å; S303-K305 PolarHBondContact O-N 3.26Å; S303-K305 VanDerWaalsContact O-N 3.11Å; S303-L306 CarbonylContact O-C 3.39Å; S303-L306 PolarHBondContact O-N 3.15Å; S303-T307 WeakPolarHBondContact O-CG2 3.3Å; S303-T307 PolarHBondContact O-N 2.73Å; S303-T307 PolarHBondContact O-OG1 3.18Å; S303-D334 VanDerWaalsContact CB-OD2 3.28Å; S303-D334 WeakPolarHBondContact CB-OD2 3.44Å; S303-D334 PolarHBondContact OG-OD2 2.94Å; S303-F339 WeakPolarHBondContact OG-CE2 3.36Å
304	S	98.4	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.8	-32.5	-175.3	76	0	0	0	0	113.6	Y278 C300 P301 I302 A309 C310 H317	Y278-S304 VanDerWaalsContact CZ-CB 3.44Å; Y278-S304 WeakPolarHBondContact OH-CB 3.42Å; C300-S304 WeakPolarHBondContact O-CB 3.43Å; C300-S304 PolarHBondContact O-N 2.99Å; P301-S304 PolarHBondContact O-OG 2.89Å; I302-S304 PolarHBondContact O-N 3.21Å; S304-A309 PolarHBondContact O-N 3.12Å; S304-C310 PolarHBondContact O-N 3.14Å; S304-H317 PolarHBondContact OG-CD2 3.26Å; S304-H317 PolarHBondContact OG-NE2 2.97Å
305	K	98.3	Very high	97.9	Very high	54 Å²	54	22 Å²	22	24%	0.235	14%	0.14	C	C	.	.	H	α-helix	trans	-69.3	-47	172.1	167.9	171.5	177.3	170.1	0	111.1	P93 P301 I302 S303 G308 S312 F314	P93-K305 VanDerWaalsContact CB-O 3.32Å; P93-K305 WeakPolarHBondContact CB-O 3.09Å; P93-K305 HydrophobicContact CG-CG 4.22Å; P93-K305 WeakPolarHBondContact CG-O 3.47Å; P301-K305 PolarHBondContact O-N 2.96Å; I302-K305 PolarHBondContact O-N 3.43Å; S303-K305 PolarHBondContact O-N 3.26Å; S303-K305 VanDerWaalsContact O-N 3.11Å; K305-G308 PolarHBondContact O-N 2.7Å; K305-S312 WeakPolarHBondContact CE-O 3.42Å; K305-S312 PolarHBondContact NZ-O 3.23Å; K305-S312 VanDerWaalsContact NZ-O 3.16Å; K305-F314 HydrophobicContact CB-CE1 3.85Å; K305-F314 HydrophobicContact CB-CZ 4.14Å; K305-F314 HydrophobicContact CD-CE1 3.8Å; K305-F314 HydrophobicContact CD-CE2 3.83Å; K305-F314 HydrophobicContact CD-CZ 3.4Å; K305-F314 VanDerWaalsContact CD-CZ 3.4Å; K305-F314 HydrophobicContact CG-CE1 4.46Å; K305-F314 HydrophobicContact CG-CZ 4.39Å
306	L	98.1	Very high	97.8	Very high	16 Å²	16	27.4 Å²	27.4	8%	0.084	17%	0.165	C	C	.	.	H	α-helix	trans	-76.5	-27.7	-172.9	-67.5	177.5	0	0	0	113.1	V90 V94 I302 S303 G308 F339	V90-L306 HydrophobicContact CG1-CB 4.15Å; V90-L306 HydrophobicContact CG1-CD2 4.32Å; V94-L306 WeakPolarHBondContact CG2-O 3.5Å; V94-L306 PolarHBondContact N-O 2.82Å; I302-L306 HydrophobicContact CG2-CD1 3.82Å; I302-L306 HydrophobicContact CG2-CG 4.45Å; I302-L306 WeakPolarHBondContact O-CG 3.48Å; I302-L306 PolarHBondContact O-N 2.81Å; I302-L306 VanDerWaalsContact O-N 3.1Å; S303-L306 CarbonylContact O-C 3.39Å; S303-L306 PolarHBondContact O-N 3.15Å; L306-G308 VanDerWaalsContact C-N 3.27Å; L306-F339 HydrophobicContact CB-CD1 3.68Å; L306-F339 HydrophobicContact CB-CE1 3.79Å; L306-F339 HydrophobicContact CD1-CB 3.8Å; L306-F339 HydrophobicContact CD1-CD1 3.5Å; L306-F339 HydrophobicContact CD1-CE1 4.45Å; L306-F339 HydrophobicContact CD1-CG 3.98Å; L306-F339 HydrophobicContact CG-CD1 4.23Å
307	T	97.2	Very high	97.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.6	172	65.7	0	0	0	0	113.5	V94 T95 L96 F99 E255 S303 A309 F339	V94-T307 CarbonylContact O-C 2.96Å; T95-T307 CarbonylContact C-O 3.55Å; L96-T307 HydrophobicContact CD1-CG2 4.39Å; L96-T307 PolarHBondContact N-O 2.85Å; F99-T307 HydrophobicContact CB-CG2 4.32Å; F99-T307 HydrophobicContact CD1-CG2 4.16Å; F99-T307 HydrophobicContact CD2-CG2 4.46Å; F99-T307 HydrophobicContact CG-CG2 4.04Å; E255-T307 WeakPolarHBondContact OE1-CB 3.45Å; E255-T307 PolarHBondContact OE1-OG1 3.05Å; S303-T307 WeakPolarHBondContact O-CG2 3.3Å; S303-T307 PolarHBondContact O-N 2.73Å; S303-T307 PolarHBondContact O-OG1 3.18Å; T307-A309 PolarHBondContact O-N 2.7Å; T307-A309 WeakPolarHBondContact OG1-CB 3.37Å; T307-F339 HydrophobicContact CG2-CE1 4.02Å; T307-F339 HydrophobicContact CG2-CZ 3.66Å
308	G	96.1	Very high	97.7	Very high	45 Å²	45	28.5 Å²	28.5	46%	0.464	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	8.7	-177.1	0	0	0	0	0	113.9	V94 K305 L306 C310	V94-G308 WeakPolarHBondContact O-CA 3.5Å; V94-G308 PolarHBondContact O-N 2.9Å; K305-G308 PolarHBondContact O-N 2.7Å; L306-G308 VanDerWaalsContact C-N 3.27Å; G308-C310 VanDerWaalsContact C-N 3.29Å; G308-C310 PolarHBondContact O-N 3.02Å
309	A	96.9	Very high	97.7	Very high	14 Å²	14	28.5 Å²	28.5	12%	0.116	17%	0.172	C	C	.	.	S	Bend	trans	-63.2	-33.8	175.8	0	0	0	0	0	112.9	E255 V256 Y278 S304 T307	E255-A309 HydrophobicContact CG-CB 3.75Å; E255-A309 WeakPolarHBondContact O-CB 3.43Å; V256-A309 HydrophobicContact CG1-CB 3.95Å; Y278-A309 HydrophobicContact CD2-CB 4.11Å; Y278-A309 HydrophobicContact CE2-CB 4.2Å; S304-A309 PolarHBondContact O-N 3.12Å; T307-A309 PolarHBondContact O-N 2.7Å; T307-A309 WeakPolarHBondContact OG1-CB 3.37Å
310	C	97.6	Very high	97.7	Very high	15 Å²	15	29.6 Å²	29.6	10%	0.101	18%	0.178	C	C	.	.	S	Bend	trans	-125.1	164.7	178.3	-76	0	0	0	0	111.8	S304 G308 P318	S304-C310 PolarHBondContact O-N 3.14Å; G308-C310 VanDerWaalsContact C-N 3.29Å; G308-C310 PolarHBondContact O-N 3.02Å; C310-P318 VanDerWaalsContact SG-CD 3.54Å
311	S	96.3	Very high	97.7	Very high	48 Å²	48	32.2 Å²	32.2	34%	0.336	19%	0.194	S	C	.	.			trans	-53.2	142.4	173.8	-177.3	0	0	0	0	111.6	D313	S311-D313 PolarHBondContact O-N 3.49Å; S311-D313 PolarHBondContact OG-N 3.23Å
312	S	94.4	Very high	97.7	Very high	75 Å²	75	32.2 Å²	32.2	52%	0.524	19%	0.194	S	C	.	.	S	Bend	trans	-66.7	-17.2	172.7	60.2	0	0	0	0	113.2	K305	K305-S312 WeakPolarHBondContact CE-O 3.42Å; K305-S312 PolarHBondContact NZ-O 3.23Å; K305-S312 VanDerWaalsContact NZ-O 3.16Å
313	D	97.3	Very high	97.7	Very high	61 Å²	61	33.7 Å²	33.7	33%	0.326	20%	0.199	S	C	.	.	S	Bend	trans	-88	105	169.6	176	8.9	0	0	0	110.7	S311 T315 Q316	S311-D313 PolarHBondContact O-N 3.49Å; S311-D313 PolarHBondContact OG-N 3.23Å; D313-T315 PolarHBondContact O-N 3Å; D313-T315 VanDerWaalsContact O-N 3.09Å; D313-T315 WeakPolarHBondContact OD1-CB 3.49Å; D313-T315 WeakPolarHBondContact OD1-CG2 3.31Å; D313-T315 PolarHBondContact OD1-N 3.23Å; D313-T315 PolarHBondContact OD1-OG1 3.04Å; D313-T315 PolarHBondContact OD2-OG1 3.34Å; D313-Q316 PolarHBondContact O-N 3.41Å; D313-Q316 PolarHBondContact OD2-NE2 2.96Å
314	F	97.6	Very high	97.7	Very high	20 Å²	20	40.2 Å²	40.2	9%	0.088	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-58.5	-22.2	179.3	-74.2	-52.1	0	0	0	114.2	P301 K305 Q316 H317 I349 H353 M354	P301-F314 WeakPolarHBondContact O-CE1 3.47Å; K305-F314 HydrophobicContact CB-CE1 3.85Å; K305-F314 HydrophobicContact CB-CZ 4.14Å; K305-F314 HydrophobicContact CD-CE1 3.8Å; K305-F314 HydrophobicContact CD-CE2 3.83Å; K305-F314 HydrophobicContact CD-CZ 3.4Å; K305-F314 VanDerWaalsContact CD-CZ 3.4Å; K305-F314 HydrophobicContact CG-CE1 4.46Å; K305-F314 HydrophobicContact CG-CZ 4.39Å; F314-Q316 PolarHBondContact O-N 3.04Å; F314-H317 WeakPolarHBondContact O-CB 3.4Å; F314-H317 PolarHBondContact O-N 3.29Å; F314-I349 HydrophobicContact CD1-CG2 3.88Å; F314-I349 HydrophobicContact CD2-CD1 4.32Å; F314-I349 HydrophobicContact CD2-CG2 3.71Å; F314-I349 HydrophobicContact CE1-CG2 3.82Å; F314-I349 HydrophobicContact CE2-CD1 3.83Å; F314-I349 HydrophobicContact CE2-CG1 4.33Å; F314-I349 HydrophobicContact CE2-CG2 3.66Å; F314-I349 HydrophobicContact CG-CG2 3.82Å; F314-I349 HydrophobicContact CZ-CD1 4.49Å; F314-I349 HydrophobicContact CZ-CG2 3.7Å; F314-H353 HydrophobicContact CB-CB 3.65Å; F314-M354 HydrophobicContact CB-CE 3.57Å; F314-M354 HydrophobicContact CD1-CE 3.34Å; F314-M354 HydrophobicContact CE1-CE 4.26Å; F314-M354 HydrophobicContact CG-CE 3.76Å; F314-M354 WeakPolarHBondContact O-CG 3.36Å
315	T	97.7	Very high	97.7	Very high	78 Å²	78	43.6 Å²	43.6	48%	0.479	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-71	-10.9	178.1	71.8	0	0	0	0	113.2	D313 I320	D313-T315 PolarHBondContact O-N 3Å; D313-T315 VanDerWaalsContact O-N 3.09Å; D313-T315 WeakPolarHBondContact OD1-CB 3.49Å; D313-T315 WeakPolarHBondContact OD1-CG2 3.31Å; D313-T315 PolarHBondContact OD1-N 3.23Å; D313-T315 PolarHBondContact OD1-OG1 3.04Å; D313-T315 PolarHBondContact OD2-OG1 3.34Å; T315-I320 WeakPolarHBondContact O-CD1 3.3Å
316	Q	97.6	Very high	97.8	Very high	128 Å²	128	46.7 Å²	46.7	60%	0.598	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-105	5.4	176.5	-61.1	-178.6	52.7	0	0	112.9	D313 F314	D313-Q316 PolarHBondContact O-N 3.41Å; D313-Q316 PolarHBondContact OD2-NE2 2.96Å; F314-Q316 PolarHBondContact O-N 3.04Å
317	H	98.6	Very high	97.8	Very high	2 Å²	2	46 Å²	46	1%	0.009	26%	0.255	C	S	.	.			trans	-65.2	133.7	-173.4	-168.2	-81.4	0	0	0	112	Y278 S304 F314 I319 I320 M354	Y278-H317 AromaticContact CE1-CE1 3.81Å; S304-H317 PolarHBondContact OG-CD2 3.26Å; S304-H317 PolarHBondContact OG-NE2 2.97Å; F314-H317 WeakPolarHBondContact O-CB 3.4Å; F314-H317 PolarHBondContact O-N 3.29Å; H317-I319 HydrophobicContact CB-CG2 4.33Å; H317-I319 VanDerWaalsContact ND1-CB 3.28Å; H317-I319 WeakPolarHBondContact ND1-CB 3.38Å; H317-I319 WeakPolarHBondContact ND1-CG2 3.3Å; H317-I319 PolarHBondContact ND1-N 3.1Å; H317-I319 VanDerWaalsContact ND1-N 3.12Å; H317-I319 PolarHBondContact O-N 2.92Å; H317-I319 VanDerWaalsContact O-N 3.08Å; H317-I320 WeakPolarHBondContact O-CB 3.47Å; H317-I320 WeakPolarHBondContact O-CG1 3.42Å; H317-I320 PolarHBondContact O-N 3.23Å; H317-M354 HydrophobicContact CB-CE 3.54Å; H317-M354 HydrophobicContact CB-SD 3.79Å
318	P	98.3	Very high	97.9	Very high	25 Å²	25	46.1 Å²	46.1	16%	0.162	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-37.1	-179.8	-36	42.2	0	0	0	114.9	L281 C310 I320 T321 F322	L281-P318 HydrophobicContact CD1-CB 3.77Å; C310-P318 VanDerWaalsContact SG-CD 3.54Å; P318-I320 PolarHBondContact O-N 2.9Å; P318-T321 WeakPolarHBondContact O-CB 3.48Å; P318-T321 PolarHBondContact O-N 3.17Å; P318-F322 HydrophobicContact CB-CE2 4.22Å; P318-F322 WeakPolarHBondContact O-CD2 3.48Å; P318-F322 PolarHBondContact O-N 3.41Å
319	I	98.6	Very high	98	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-52.7	-24.9	178.4	-154.9	177.4	0	0	0	113.9	M299 P301 H317 T321 F322 R323 Y329 L331 M354 F356	M299-I319 HydrophobicContact CB-CD1 3.69Å; M299-I319 HydrophobicContact CB-CG1 4.3Å; M299-I319 HydrophobicContact CG-CD1 3.9Å; M299-I319 HydrophobicContact CG-CG1 4Å; P301-I319 HydrophobicContact CG-CD1 4.49Å; H317-I319 HydrophobicContact CB-CG2 4.33Å; H317-I319 VanDerWaalsContact ND1-CB 3.28Å; H317-I319 WeakPolarHBondContact ND1-CB 3.38Å; H317-I319 WeakPolarHBondContact ND1-CG2 3.3Å; H317-I319 PolarHBondContact ND1-N 3.1Å; H317-I319 VanDerWaalsContact ND1-N 3.12Å; H317-I319 PolarHBondContact O-N 2.92Å; H317-I319 VanDerWaalsContact O-N 3.08Å; I319-T321 VanDerWaalsContact C-N 3.27Å; I319-T321 PolarHBondContact O-N 2.98Å; I319-F322 PolarHBondContact O-N 2.95Å; I319-R323 WeakPolarHBondContact O-CB 3.16Å; I319-R323 PolarHBondContact O-N 3.2Å; I319-Y329 HydrophobicContact CD1-CD2 3.99Å; I319-Y329 HydrophobicContact CD1-CE2 3.81Å; I319-Y329 HydrophobicContact CG1-CD2 4.18Å; I319-Y329 HydrophobicContact CG1-CE2 4.01Å; I319-L331 HydrophobicContact CD1-CD2 3.44Å; I319-L331 VanDerWaalsContact CD1-CD2 3.44Å; I319-M354 HydrophobicContact CG2-SD 3.32Å; I319-M354 WeakPolarHBondContact CG2-SD 3.47Å; I319-F356 HydrophobicContact CD1-CE2 4.5Å; I319-F356 HydrophobicContact CD1-CZ 3.76Å; I319-F356 HydrophobicContact CG1-CZ 3.98Å; I319-F356 HydrophobicContact CG2-CE2 4.18Å; I319-F356 HydrophobicContact CG2-CZ 4.4Å
320	I	98.8	Very high	98.1	Very high	22 Å²	22	43.3 Å²	43.3	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-40	174.5	-66.4	167.2	0	0	0	110.6	T315 H317 P318 K324 M354	T315-I320 WeakPolarHBondContact O-CD1 3.3Å; H317-I320 WeakPolarHBondContact O-CB 3.47Å; H317-I320 WeakPolarHBondContact O-CG1 3.42Å; H317-I320 PolarHBondContact O-N 3.23Å; P318-I320 PolarHBondContact O-N 2.9Å; I320-K324 HydrophobicContact CG2-CD 4.23Å; I320-K324 VanDerWaalsContact O-CG 3.28Å; I320-K324 WeakPolarHBondContact O-CG 3.4Å; I320-K324 PolarHBondContact O-N 3.46Å; I320-K324 VanDerWaalsContact O-N 3.07Å; I320-M354 HydrophobicContact CD1-CB 4.15Å; I320-M354 HydrophobicContact CD1-CG 4.12Å; I320-M354 HydrophobicContact CG1-CB 3.71Å; I320-M354 HydrophobicContact CG1-CG 4.03Å
321	T	98.7	Very high	98.2	Very high	55 Å²	55	42.6 Å²	42.6	34%	0.337	22%	0.223	S	C	.	.	H	α-helix	trans	-68.1	-50.5	176.1	-57.8	0	0	0	0	110.5	L281 P318 I319 R323 K324 D325	L281-T321 HydrophobicContact CD1-CG2 4.12Å; L281-T321 HydrophobicContact CD2-CG2 3.97Å; P318-T321 WeakPolarHBondContact O-CB 3.48Å; P318-T321 PolarHBondContact O-N 3.17Å; I319-T321 VanDerWaalsContact C-N 3.27Å; I319-T321 PolarHBondContact O-N 2.98Å; T321-R323 PolarHBondContact O-N 3.14Å; T321-K324 PolarHBondContact O-N 2.7Å; T321-D325 WeakPolarHBondContact CG2-OD2 3.21Å; T321-D325 WeakPolarHBondContact O-CB 3.37Å; T321-D325 PolarHBondContact O-N 2.67Å
322	F	98.8	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-54.6	-40.7	176.4	-70.6	-97.1	0	0	0	112.3	L281 Y287 F297 M299 P318 I319 K326 A327 Y329	L281-F322 HydrophobicContact CD1-CD2 4.33Å; L281-F322 HydrophobicContact CD1-CE2 3.84Å; L281-F322 HydrophobicContact CD2-CE2 3.98Å; L281-F322 HydrophobicContact CD2-CZ 4.18Å; L281-F322 HydrophobicContact CG-CE2 3.75Å; L281-F322 HydrophobicContact CG-CZ 4.16Å; Y287-F322 HydrophobicContact CD2-CE1 4.2Å; Y287-F322 HydrophobicContact CD2-CZ 4.39Å; Y287-F322 AromaticContact CE2-CD1 3.88Å; Y287-F322 HydrophobicContact CE2-CD1 3.88Å; Y287-F322 AromaticContact CE2-CE1 3.58Å; Y287-F322 HydrophobicContact CE2-CE1 3.58Å; Y287-F322 HydrophobicContact CE2-CZ 4.01Å; F297-F322 HydrophobicContact CB-CE1 4.42Å; F297-F322 AromaticContact CD1-CE1 3.99Å; F297-F322 HydrophobicContact CD1-CE1 3.99Å; F297-F322 HydrophobicContact CD1-CZ 4.44Å; F297-F322 AromaticContact CD2-CD1 3.9Å; F297-F322 HydrophobicContact CD2-CD1 3.9Å; F297-F322 AromaticContact CD2-CE1 3.54Å; F297-F322 HydrophobicContact CD2-CE1 3.54Å; F297-F322 HydrophobicContact CE1-CE1 4.08Å; F297-F322 HydrophobicContact CE2-CD1 4.25Å; F297-F322 AromaticContact CE2-CE1 3.66Å; F297-F322 HydrophobicContact CE2-CE1 3.66Å; F297-F322 HydrophobicContact CG-CD1 4.27Å; F297-F322 AromaticContact CG-CE1 3.71Å; F297-F322 HydrophobicContact CG-CE1 3.71Å; F297-F322 AromaticContact CZ-CE1 3.92Å; F297-F322 HydrophobicContact CZ-CE1 3.92Å; M299-F322 HydrophobicContact CE-CB 4.3Å; M299-F322 HydrophobicContact CE-CD1 3.53Å; M299-F322 HydrophobicContact CE-CD2 3.47Å; M299-F322 VanDerWaalsContact CE-CD2 3.47Å; M299-F322 HydrophobicContact CE-CE1 3.54Å; M299-F322 HydrophobicContact CE-CE2 3.49Å; M299-F322 VanDerWaalsContact CE-CE2 3.49Å; M299-F322 HydrophobicContact CE-CG 3.5Å; M299-F322 HydrophobicContact CE-CZ 3.53Å; P318-F322 HydrophobicContact CB-CE2 4.22Å; P318-F322 WeakPolarHBondContact O-CD2 3.48Å; P318-F322 PolarHBondContact O-N 3.41Å; I319-F322 PolarHBondContact O-N 2.95Å; F322-K326 PolarHBondContact O-N 3.11Å; F322-K326 VanDerWaalsContact O-N 3.16Å; F322-A327 HydrophobicContact CB-CB 3.95Å; F322-A327 HydrophobicContact CD1-CB 3.77Å; F322-A327 HydrophobicContact CG-CB 4.33Å; F322-A327 WeakPolarHBondContact O-CB 3.27Å; F322-A327 PolarHBondContact O-N 3.07Å; F322-Y329 HydrophobicContact CB-CD1 4.16Å; F322-Y329 HydrophobicContact CB-CE1 4.45Å
323	R	98.6	Very high	98.5	Very high	47 Å²	47	36.8 Å²	36.8	18%	0.177	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-47.8	174.3	-178.7	-178.1	64	76	-4.5	112.5	I319 T321 D325 K326 Y329 M354 F356 E360	I319-R323 WeakPolarHBondContact O-CB 3.16Å; I319-R323 PolarHBondContact O-N 3.2Å; T321-R323 PolarHBondContact O-N 3.14Å; R323-D325 VanDerWaalsContact C-N 3.26Å; R323-D325 PolarHBondContact O-N 3.5Å; R323-K326 PolarHBondContact O-N 3.11Å; R323-Y329 HydrophobicContact CB-CE1 4.47Å; R323-M354 PolarHBondContact NE-O 2.83Å; R323-M354 PolarHBondContact NH2-O 3.4Å; R323-F356 HydrophobicContact CB-CE2 4.29Å; R323-F356 HydrophobicContact CB-CZ 4.26Å; R323-F356 HydrophobicContact CG-CE2 4.42Å; R323-F356 HydrophobicContact CG-CZ 4.45Å; R323-E360 HydrophobicContact CG-CG 3.84Å
324	K	98.6	Very high	98.6	Very high	138 Å²	138	34.1 Å²	34.1	60%	0.6	17%	0.168	S	C	*	.	H	α-helix	trans	-61.8	-38.7	179.9	-76.6	171.9	-179.3	175.7	0	111.3	I320 T321 K326	I320-K324 HydrophobicContact CG2-CD 4.23Å; I320-K324 VanDerWaalsContact O-CG 3.28Å; I320-K324 WeakPolarHBondContact O-CG 3.4Å; I320-K324 PolarHBondContact O-N 3.46Å; I320-K324 VanDerWaalsContact O-N 3.07Å; T321-K324 PolarHBondContact O-N 2.7Å; K324-K326 PolarHBondContact O-N 3.01Å
325	D	98.8	Very high	98.6	Very high	71 Å²	71	33.3 Å²	33.3	38%	0.38	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	1.2	-179.2	-61.5	-14.8	0	0	0	113.2	Y287 L291 T321 R323 A327	Y287-D325 VanDerWaalsContact CE1-OD2 3.24Å; Y287-D325 WeakPolarHBondContact CE1-OD2 3.43Å; Y287-D325 WeakPolarHBondContact OH-CB 3.4Å; Y287-D325 PolarHBondContact OH-OD2 2.85Å; L291-D325 HydrophobicContact CD2-CB 4.24Å; T321-D325 WeakPolarHBondContact CG2-OD2 3.21Å; T321-D325 WeakPolarHBondContact O-CB 3.37Å; T321-D325 PolarHBondContact O-N 2.67Å; R323-D325 VanDerWaalsContact C-N 3.26Å; R323-D325 PolarHBondContact O-N 3.5Å; D325-A327 PolarHBondContact O-N 3.04Å
326	K	98.6	Very high	98.7	Very high	119 Å²	119	30.3 Å²	30.3	52%	0.517	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	32.4	-177.7	-58.9	-59.9	-177.4	-171.2	0	113.5	F322 R323 K324 E360 R363	F322-K326 PolarHBondContact O-N 3.11Å; F322-K326 VanDerWaalsContact O-N 3.16Å; R323-K326 PolarHBondContact O-N 3.11Å; K324-K326 PolarHBondContact O-N 3.01Å; K326-E360 IonicContact NZ-OE2 3.23Å; K326-E360 PolarHBondContact NZ-OE2 2.92Å; K326-R363 PolarHBondContact O-NH1 2.91Å
327	A	98.8	Very high	98.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	12%	0.123	C	C	.	.			trans	-57.4	162.8	174.7	0	0	0	0	0	112.3	L291 F322 D325 Y329 R363	L291-A327 HydrophobicContact CD1-CB 3.63Å; F322-A327 HydrophobicContact CB-CB 3.95Å; F322-A327 HydrophobicContact CD1-CB 3.77Å; F322-A327 HydrophobicContact CG-CB 4.33Å; F322-A327 WeakPolarHBondContact O-CB 3.27Å; F322-A327 PolarHBondContact O-N 3.07Å; D325-A327 PolarHBondContact O-N 3.04Å; A327-Y329 HydrophobicContact CB-CD1 4.44Å; A327-Y329 WeakPolarHBondContact O-CD1 3.36Å; A327-R363 PolarHBondContact O-NH1 3.25Å; A327-R363 PolarHBondContact O-NH2 3.02Å
328	N	98.9	Very high	98.7	Very high	5 Å²	5	25 Å²	25	3%	0.027	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.8	175	-177.3	14.4	0	0	0	109.5	N294 H296 F297 N367 S371	N294-N328 PolarHBondContact O-ND2 3.33Å; N294-N328 WeakPolarHBondContact OD1-CB 3.22Å; H296-N328 WeakPolarHBondContact CA-O 3.4Å; H296-N328 PolarHBondContact ND1-OD1 2.81Å; F297-N328 PolarHBondContact N-O 3.4Å; N328-N367 WeakPolarHBondContact OD1-CB 3.28Å; N328-S371 PolarHBondContact ND2-OG 2.95Å
329	Y	98.9	Very high	98.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	162.3	-178.7	68.4	-90.5	0	0	0	111.7	F297 M299 I319 F322 R323 A327 F356 E360 L364	F297-Y329 CarbonylContact O-C 3.44Å; F297-Y329 WeakPolarHBondContact O-CA 3.34Å; F297-Y329 WeakPolarHBondContact O-CB 3.46Å; M299-Y329 HydrophobicContact CG-CD2 4.27Å; M299-Y329 HydrophobicContact CG-CG 4.45Å; I319-Y329 HydrophobicContact CD1-CD2 3.99Å; I319-Y329 HydrophobicContact CD1-CE2 3.81Å; I319-Y329 HydrophobicContact CG1-CD2 4.18Å; I319-Y329 HydrophobicContact CG1-CE2 4.01Å; F322-Y329 HydrophobicContact CB-CD1 4.16Å; F322-Y329 HydrophobicContact CB-CE1 4.45Å; R323-Y329 HydrophobicContact CB-CE1 4.47Å; A327-Y329 HydrophobicContact CB-CD1 4.44Å; A327-Y329 WeakPolarHBondContact O-CD1 3.36Å; Y329-F356 AromaticContact CE2-CE1 3.77Å; Y329-F356 HydrophobicContact CE2-CE1 3.77Å; Y329-F356 AromaticContact CE2-CZ 3.83Å; Y329-F356 HydrophobicContact CE2-CZ 3.83Å; Y329-F356 AromaticContact CZ-CE1 3.86Å; Y329-F356 AromaticContact CZ-CZ 3.84Å; Y329-F356 WeakPolarHBondContact OH-CE1 3.5Å; Y329-F356 WeakPolarHBondContact OH-CZ 3.28Å; Y329-E360 WeakPolarHBondContact OH-CG 3.48Å; Y329-E360 PolarHBondContact OH-OE1 3.48Å; Y329-L364 HydrophobicContact CE2-CB 4.15Å; Y329-L364 HydrophobicContact CE2-CD2 4.06Å
330	S	98.9	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	164.9	173.3	50.4	0	0	0	0	111.1	H296 F297 E298 M299 N332 S368	H296-S330 PolarHBondContact CE1-N 2.85Å; H296-S330 VanDerWaalsContact NE2-CB 3.35Å; H296-S330 WeakPolarHBondContact NE2-CB 3.23Å; H296-S330 PolarHBondContact NE2-N 3.41Å; H296-S330 PolarHBondContact NE2-OG 2.88Å; F297-S330 PolarHBondContact O-N 2.78Å; E298-S330 WeakPolarHBondContact CA-OG 3.47Å; M299-S330 VanDerWaalsContact CB-O 3.3Å; M299-S330 WeakPolarHBondContact CB-O 3.44Å; M299-S330 PolarHBondContact N-O 2.9Å; M299-S330 VanDerWaalsContact N-O 3.16Å; S330-N332 PolarHBondContact OG-ND2 3.46Å; S330-S368 WeakPolarHBondContact CB-OG 3.27Å
331	L	98.9	Very high	98.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.8	168.1	-70	177.4	0	0	0	108.4	M299 P301 I319 L343 Y347 V350 F356 F361 L364	M299-L331 CarbonylContact O-C 3.16Å; M299-L331 WeakPolarHBondContact O-CA 3.41Å; P301-L331 HydrophobicContact CG-CD2 3.81Å; I319-L331 HydrophobicContact CD1-CD2 3.44Å; I319-L331 VanDerWaalsContact CD1-CD2 3.44Å; L331-L343 WeakPolarHBondContact O-CD1 3.28Å; L331-Y347 HydrophobicContact CB-CD2 4.45Å; L331-Y347 HydrophobicContact CB-CE2 3.91Å; L331-Y347 HydrophobicContact CD1-CD1 4.42Å; L331-Y347 HydrophobicContact CD1-CD2 4.02Å; L331-Y347 HydrophobicContact CD1-CE1 4.36Å; L331-Y347 HydrophobicContact CD1-CE2 3.96Å; L331-Y347 HydrophobicContact CD1-CG 4.28Å; L331-V350 HydrophobicContact CD1-CG2 3.77Å; L331-V350 HydrophobicContact CD2-CG1 4.1Å; L331-F356 HydrophobicContact CD1-CD1 4.48Å; L331-F356 HydrophobicContact CD1-CE1 4.29Å; L331-F361 HydrophobicContact CD1-CD1 4.2Å; L331-F361 HydrophobicContact CD1-CE1 3.93Å; L331-L364 HydrophobicContact CB-CD1 4.33Å; L331-L364 HydrophobicContact CD1-CD1 4.37Å; L331-L364 HydrophobicContact CD1-CD2 3.66Å; L331-L364 HydrophobicContact CG-CD1 4.15Å; L331-L364 HydrophobicContact CG-CD2 3.85Å
332	N	98.9	Very high	98.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.			trans	-147.1	155.6	-171.7	-43	-89.2	0	0	0	112	E51 L52 H53 M299 C300 S330	E51-N332 HydrophobicContact CG-CB 4.08Å; L52-N332 PolarHBondContact N-OD1 2.97Å; H53-N332 HydrophobicContact CB-CB 3.74Å; H53-N332 PolarHBondContact N-OD1 3.01Å; H53-N332 VanDerWaalsContact N-OD1 3.09Å; H53-N332 WeakPolarHBondContact O-CB 3.42Å; M299-N332 PolarHBondContact N-ND2 3.45Å; M299-N332 PolarHBondContact O-N 3.1Å; M299-N332 PolarHBondContact O-ND2 3.3Å; M299-N332 VanDerWaalsContact O-ND2 3.15Å; C300-N332 WeakPolarHBondContact CA-O 3.17Å; S330-N332 PolarHBondContact OG-ND2 3.46Å
333	T	98.9	Very high	98.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.136	C	C	.	.			trans	-84.9	-23.2	-177.2	58.3	0	0	0	0	115	E51 V54 K128 D335 L343	E51-T333 WeakPolarHBondContact OE1-CB 3.45Å; E51-T333 VanDerWaalsContact OE1-CG2 3.31Å; E51-T333 WeakPolarHBondContact OE1-CG2 3.12Å; E51-T333 PolarHBondContact OE1-N 3.49Å; E51-T333 PolarHBondContact OE1-OG1 3.49Å; V54-T333 WeakPolarHBondContact CG2-OG1 3.37Å; K128-T333 PolarHBondContact NZ-OG1 3.28Å; K128-T333 VanDerWaalsContact NZ-OG1 3.09Å; T333-D335 PolarHBondContact O-N 3.09Å; T333-L343 VanDerWaalsContact CG2-CA 3.49Å; T333-L343 HydrophobicContact CG2-CB 3.86Å; T333-L343 HydrophobicContact CG2-CD1 4.18Å
334	D	98.8	Very high	98.5	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	64.5	-96.1	-173.3	-156.3	14.4	0	0	0	112.6	H53 V54 H55 H276 C300 S303 P336 F339	H53-D334 IonicContact CD2-OD1 3.76Å; H53-D334 PolarHBondContact CD2-OD1 3.21Å; H53-D334 VanDerWaalsContact CD2-OD1 3.26Å; H53-D334 IonicContact NE2-OD1 3.7Å; H53-D334 PolarHBondContact NE2-OD1 2.72Å; H53-D334 WeakPolarHBondContact O-CA 3.36Å; H53-D334 PolarHBondContact O-N 3.35Å; H53-D334 VanDerWaalsContact O-N 3.12Å; V54-D334 CarbonylContact C-O 3.59Å; V54-D334 VanDerWaalsContact CA-O 3.3Å; V54-D334 WeakPolarHBondContact CA-O 3.39Å; V54-D334 WeakPolarHBondContact CG2-O 3.29Å; H55-D334 IonicContact CD2-OD1 3.44Å; H55-D334 PolarHBondContact CD2-OD1 3.04Å; H55-D334 VanDerWaalsContact CD2-OD1 3.31Å; H55-D334 PolarHBondContact N-O 3.19Å; H55-D334 IonicContact NE2-OD1 2.71Å; H276-D334 IonicContact CE1-OD2 2.98Å; H276-D334 PolarHBondContact CE1-OD2 3.02Å; C300-D334 HydrophobicContact CB-CB 3.94Å; S303-D334 VanDerWaalsContact CB-OD2 3.28Å; S303-D334 WeakPolarHBondContact CB-OD2 3.44Å; S303-D334 PolarHBondContact OG-OD2 2.94Å; D334-P336 WeakPolarHBondContact O-CD 3.27Å; D334-F339 HydrophobicContact CB-CE2 4.06Å
335	D	98.8	Very high	98.5	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	12%	0.122	C	C	.	.	S	Bend	trans	-116.5	74.1	180	-58.2	-95.3	0	0	0	111.9	H55 G58 F99 F103 T333 L337 I338 F339	H55-D335 WeakPolarHBondContact CB-OD1 3.3Å; H55-D335 IonicContact CG-OD1 3.8Å; G58-D335 VanDerWaalsContact CA-OD1 3.26Å; G58-D335 WeakPolarHBondContact CA-OD1 3.47Å; G58-D335 CarbonylContact O-C 3.57Å; G58-D335 WeakPolarHBondContact O-CA 3.22Å; F99-D335 HydrophobicContact CE2-CB 3.97Å; F99-D335 HydrophobicContact CZ-CB 4.13Å; F99-D335 WeakPolarHBondContact CZ-OD2 3.41Å; F103-D335 VanDerWaalsContact CZ-OD1 3.27Å; F103-D335 WeakPolarHBondContact CZ-OD1 3.4Å; T333-D335 PolarHBondContact O-N 3.09Å; D335-L337 PolarHBondContact O-N 3.25Å; D335-I338 HydrophobicContact CB-CB 4.22Å; D335-I338 HydrophobicContact CB-CD1 4.25Å; D335-I338 HydrophobicContact CB-CG1 4.48Å; D335-I338 PolarHBondContact O-N 3.28Å; D335-F339 HydrophobicContact CB-CD2 3.91Å; D335-F339 HydrophobicContact CB-CE2 3.69Å; D335-F339 HydrophobicContact CB-CZ 4.44Å; D335-F339 VanDerWaalsContact O-CD2 3.28Å; D335-F339 WeakPolarHBondContact O-CD2 3.27Å; D335-F339 PolarHBondContact O-N 3.39Å
336	P	98.6	Very high	98.5	Very high	16 Å²	16	20 Å²	20	10%	0.104	10%	0.104	C	C	.	.	H	α-helix	trans	-59.9	-25.6	-171.5	22.6	-32.7	0	0	0	113.9	V54 G58 A59 D334 N340 S341	V54-P336 HydrophobicContact CG2-CG 4.32Å; G58-P336 WeakPolarHBondContact O-CD 3.19Å; A59-P336 HydrophobicContact CB-CG 3.68Å; D334-P336 WeakPolarHBondContact O-CD 3.27Å; P336-N340 VanDerWaalsContact O-CA 3.29Å; P336-N340 WeakPolarHBondContact O-CA 3.35Å; P336-N340 PolarHBondContact O-N 3.49Å; P336-S341 VanDerWaalsContact CB-O 3.28Å; P336-S341 WeakPolarHBondContact CB-O 3.28Å; P336-S341 PolarHBondContact O-N 3.27Å
337	L	98.4	Very high	98.5	Very high	19 Å²	19	14.4 Å²	14.4	10%	0.099	8%	0.08	C	C	.	.	H	α-helix	trans	-64.4	-52.4	172.3	169.5	60.3	0	0	0	111.2	G58 I60 V62 I65 I88 Y106 D335 N340	G58-L337 WeakPolarHBondContact O-CB 3.19Å; G58-L337 PolarHBondContact O-N 3.41Å; I60-L337 HydrophobicContact CB-CD2 4.27Å; I60-L337 WeakPolarHBondContact O-CD1 3.36Å; I60-L337 WeakPolarHBondContact O-CD2 3.5Å; V62-L337 HydrophobicContact CG2-CD1 3.55Å; I65-L337 HydrophobicContact CD1-CD2 4.02Å; I88-L337 HydrophobicContact CG2-CD1 4.08Å; I88-L337 HydrophobicContact CG2-CD2 4.07Å; I88-L337 HydrophobicContact CG2-CG 3.75Å; Y106-L337 HydrophobicContact CD1-CD2 4.35Å; Y106-L337 HydrophobicContact CD2-CD2 4.45Å; Y106-L337 HydrophobicContact CE1-CD2 3.93Å; Y106-L337 HydrophobicContact CE2-CD2 4.05Å; D335-L337 PolarHBondContact O-N 3.25Å; L337-N340 PolarHBondContact O-N 2.94Å
338	I	98.4	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-74.1	-34.7	-173.3	-61.5	169.2	0	0	0	110.4	I88 I89 V90 F99 K102 F103 Y106 D335 N340	I88-I338 HydrophobicContact CG2-CG1 4.03Å; I89-I338 CarbonylContact C-O 3.47Å; I89-I338 VanDerWaalsContact CA-O 3.28Å; I89-I338 WeakPolarHBondContact CA-O 3.26Å; V90-I338 HydrophobicContact CB-CG2 4.44Å; V90-I338 HydrophobicContact CG2-CG2 3.81Å; V90-I338 PolarHBondContact N-O 3.44Å; F99-I338 HydrophobicContact CD2-CB 4.45Å; F99-I338 HydrophobicContact CD2-CD1 4.36Å; F99-I338 HydrophobicContact CD2-CG2 3.69Å; F99-I338 HydrophobicContact CE2-CB 4.07Å; F99-I338 HydrophobicContact CE2-CD1 3.67Å; F99-I338 HydrophobicContact CE2-CG1 4.48Å; F99-I338 HydrophobicContact CE2-CG2 3.81Å; F99-I338 HydrophobicContact CZ-CD1 4.28Å; K102-I338 HydrophobicContact CB-CD1 4.12Å; K102-I338 HydrophobicContact CB-CG1 4.3Å; K102-I338 HydrophobicContact CB-CG2 4.08Å; K102-I338 HydrophobicContact CG-CG2 4.02Å; F103-I338 HydrophobicContact CD2-CD1 3.79Å; F103-I338 HydrophobicContact CE1-CD1 4.36Å; F103-I338 HydrophobicContact CE2-CD1 3.42Å; F103-I338 VanDerWaalsContact CE2-CD1 3.42Å; F103-I338 HydrophobicContact CG-CD1 4.42Å; F103-I338 HydrophobicContact CZ-CD1 3.76Å; Y106-I338 HydrophobicContact CE1-CG1 4.46Å; D335-I338 HydrophobicContact CB-CB 4.22Å; D335-I338 HydrophobicContact CB-CD1 4.25Å; D335-I338 HydrophobicContact CB-CG1 4.48Å; D335-I338 PolarHBondContact O-N 3.28Å; I338-N340 VanDerWaalsContact C-N 3.33Å
339	F	98.4	Very high	98.4	Very high	9 Å²	9	15.6 Å²	15.6	4%	0.039	9%	0.087	C	C	.	.	H	α-helix	trans	-87.2	-3.4	178.5	-58.5	-43.5	0	0	0	113.8	F99 I302 S303 L306 T307 D334 D335 S341	F99-F339 AromaticContact CD2-CE1 3.55Å; F99-F339 HydrophobicContact CD2-CE1 3.55Å; F99-F339 AromaticContact CD2-CZ 3.53Å; F99-F339 HydrophobicContact CD2-CZ 3.53Å; F99-F339 AromaticContact CE2-CE1 3.76Å; F99-F339 HydrophobicContact CE2-CE1 3.76Å; F99-F339 AromaticContact CE2-CE2 4Å; F99-F339 HydrophobicContact CE2-CE2 4Å; F99-F339 AromaticContact CE2-CZ 3.33Å; F99-F339 HydrophobicContact CE2-CZ 3.33Å; F99-F339 HydrophobicContact CG-CE1 4.43Å; F99-F339 HydrophobicContact CG-CZ 4.33Å; F99-F339 HydrophobicContact CZ-CE2 4.5Å; F99-F339 AromaticContact CZ-CZ 3.99Å; F99-F339 HydrophobicContact CZ-CZ 3.99Å; I302-F339 HydrophobicContact CG2-CB 4.25Å; S303-F339 WeakPolarHBondContact OG-CE2 3.36Å; L306-F339 HydrophobicContact CB-CD1 3.68Å; L306-F339 HydrophobicContact CB-CE1 3.79Å; L306-F339 HydrophobicContact CD1-CB 3.8Å; L306-F339 HydrophobicContact CD1-CD1 3.5Å; L306-F339 HydrophobicContact CD1-CE1 4.45Å; L306-F339 HydrophobicContact CD1-CG 3.98Å; L306-F339 HydrophobicContact CG-CD1 4.23Å; T307-F339 HydrophobicContact CG2-CE1 4.02Å; T307-F339 HydrophobicContact CG2-CZ 3.66Å; D334-F339 HydrophobicContact CB-CE2 4.06Å; D335-F339 HydrophobicContact CB-CD2 3.91Å; D335-F339 HydrophobicContact CB-CE2 3.69Å; D335-F339 HydrophobicContact CB-CZ 4.44Å; D335-F339 VanDerWaalsContact O-CD2 3.28Å; D335-F339 WeakPolarHBondContact O-CD2 3.27Å; D335-F339 PolarHBondContact O-N 3.39Å; F339-S341 PolarHBondContact O-N 2.83Å
340	N	97.1	Very high	98.4	Very high	79 Å²	79	15.6 Å²	15.6	42%	0.422	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	45.8	-174.8	-171.4	45.3	0	0	0	111.8	K85 I89 P336 L337 I338	K85-N340 WeakPolarHBondContact CE-OD1 3.49Å; K85-N340 PolarHBondContact NZ-OD1 2.73Å; I89-N340 HydrophobicContact CD1-CB 3.52Å; I89-N340 HydrophobicContact CG1-CB 3.86Å; I89-N340 HydrophobicContact CG2-CB 3.95Å; P336-N340 VanDerWaalsContact O-CA 3.29Å; P336-N340 WeakPolarHBondContact O-CA 3.35Å; P336-N340 PolarHBondContact O-N 3.49Å; L337-N340 PolarHBondContact O-N 2.94Å; I338-N340 VanDerWaalsContact C-N 3.33Å
341	S	96.9	Very high	98.4	Very high	13 Å²	13	19.7 Å²	19.7	9%	0.091	11%	0.106	C	C	.	.			trans	-123.1	175	-173.3	68.5	0	0	0	0	111	P336 F339	P336-S341 VanDerWaalsContact CB-O 3.28Å; P336-S341 WeakPolarHBondContact CB-O 3.28Å; P336-S341 PolarHBondContact O-N 3.27Å; F339-S341 PolarHBondContact O-N 2.83Å
342	N	98.3	Very high	98.3	Very high	66 Å²	66	25.3 Å²	25.3	35%	0.353	13%	0.132	S	C	.	.			trans	-153.4	167.4	169.8	58.1	35.8	0	0	0	108.2	E131 P344 L345 D346	E131-N342 HydrophobicContact CG-CB 4.3Å; N342-P344 WeakPolarHBondContact OD1-CD 3.49Å; N342-L345 WeakPolarHBondContact O-CB 3.45Å; N342-L345 PolarHBondContact O-N 2.82Å; N342-L345 WeakPolarHBondContact OD1-CB 3.34Å; N342-L345 PolarHBondContact OD1-N 3.11Å; N342-D346 PolarHBondContact O-N 3.05Å
343	L	98.6	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-41	-173.6	-168.1	64.6	0	0	0	113	K49 E51 E131 V133 L331 T333 L345 D346 Y347	K49-L343 HydrophobicContact CB-CD2 3.9Å; K49-L343 HydrophobicContact CD-CD2 3.85Å; K49-L343 HydrophobicContact CD-CG 4.3Å; K49-L343 HydrophobicContact CG-CD2 4.48Å; E51-L343 HydrophobicContact CB-CD2 4.33Å; E131-L343 HydrophobicContact CB-CB 4.46Å; E131-L343 WeakPolarHBondContact OE2-CB 3.27Å; E131-L343 PolarHBondContact OE2-N 3.04Å; E131-L343 VanDerWaalsContact OE2-N 3.08Å; V133-L343 HydrophobicContact CG2-CD2 3.58Å; L331-L343 WeakPolarHBondContact O-CD1 3.28Å; T333-L343 VanDerWaalsContact CG2-CA 3.49Å; T333-L343 HydrophobicContact CG2-CB 3.86Å; T333-L343 HydrophobicContact CG2-CD1 4.18Å; L343-L345 PolarHBondContact O-N 3.46Å; L343-D346 PolarHBondContact O-N 3Å; L343-Y347 HydrophobicContact CD1-CD2 4.18Å; L343-Y347 HydrophobicContact CD1-CE2 3.78Å; L343-Y347 HydrophobicContact CD2-CE2 4.15Å; L343-Y347 HydrophobicContact CG-CD2 4Å; L343-Y347 HydrophobicContact CG-CE2 3.66Å; L343-Y347 VanDerWaalsContact O-CD2 3.22Å; L343-Y347 WeakPolarHBondContact O-CD2 3.42Å; L343-Y347 PolarHBondContact O-N 2.86Å; L343-Y347 VanDerWaalsContact O-N 3.13Å
344	P	98.6	Very high	98.3	Very high	32 Å²	32	29.5 Å²	29.5	21%	0.208	15%	0.151	C	C	.	.	H	α-helix	trans	-55.2	-32.3	173.2	-28.9	36.7	0	0	0	114.4	E131 N342 S348	E131-P344 HydrophobicContact CB-CG 4.38Å; E131-P344 HydrophobicContact CG-CG 4.47Å; N342-P344 WeakPolarHBondContact OD1-CD 3.49Å; P344-S348 WeakPolarHBondContact O-CB 3.49Å; P344-S348 PolarHBondContact O-N 3.28Å
345	L	98	Very high	98.2	Very high	53 Å²	53	31.2 Å²	31.2	28%	0.277	17%	0.17	S	C	.	.	H	α-helix	trans	-69.4	-44.8	177.5	-171.9	60.3	0	0	0	111.7	I302 N342 L343 Y347 S348 I349	I302-L345 HydrophobicContact CD1-CB 4.02Å; I302-L345 HydrophobicContact CD1-CD2 3.73Å; I302-L345 HydrophobicContact CD1-CG 3.55Å; N342-L345 WeakPolarHBondContact O-CB 3.45Å; N342-L345 PolarHBondContact O-N 2.82Å; N342-L345 WeakPolarHBondContact OD1-CB 3.34Å; N342-L345 PolarHBondContact OD1-N 3.11Å; L343-L345 PolarHBondContact O-N 3.46Å; L345-Y347 VanDerWaalsContact C-N 3.29Å; L345-Y347 PolarHBondContact O-N 3.03Å; L345-S348 WeakPolarHBondContact O-CB 3.34Å; L345-S348 PolarHBondContact O-N 2.84Å; L345-S348 VanDerWaalsContact O-N 3.12Å; L345-I349 WeakPolarHBondContact O-CG1 3.47Å; L345-I349 PolarHBondContact O-N 2.82Å
346	D	98.5	Very high	98.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-42.8	173.9	-80.9	-77.7	0	0	0	111.3	P301 I302 N342 L343 S348 I349 V350	P301-D346 VanDerWaalsContact CD-OD1 3.32Å; P301-D346 WeakPolarHBondContact CD-OD1 3.41Å; I302-D346 WeakPolarHBondContact CB-OD1 3.49Å; I302-D346 HydrophobicContact CD1-CB 4.43Å; I302-D346 VanDerWaalsContact CG1-OD1 3.29Å; I302-D346 WeakPolarHBondContact CG1-OD1 3.49Å; I302-D346 PolarHBondContact N-OD1 3.08Å; N342-D346 PolarHBondContact O-N 3.05Å; L343-D346 PolarHBondContact O-N 3Å; D346-S348 PolarHBondContact O-N 3.22Å; D346-I349 PolarHBondContact O-N 2.86Å; D346-V350 WeakPolarHBondContact O-CG1 3.38Å; D346-V350 WeakPolarHBondContact O-CG2 3.42Å; D346-V350 PolarHBondContact O-N 3.46Å
347	Y	98.8	Very high	98.2	Very high	2 Å²	2	34 Å²	34	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-42.5	174.7	-83.5	-114	0	0	0	112.2	F45 K49 L331 L343 L345 V350 H351 F361 N365	F45-Y347 HydrophobicContact CB-CD1 3.67Å; F45-Y347 HydrophobicContact CB-CE1 4.18Å; F45-Y347 AromaticContact CD1-CD1 3.89Å; F45-Y347 HydrophobicContact CD1-CD1 3.89Å; F45-Y347 AromaticContact CD1-CE1 3.47Å; F45-Y347 HydrophobicContact CD1-CE1 3.47Å; F45-Y347 VanDerWaalsContact CD1-CE1 3.47Å; F45-Y347 HydrophobicContact CE1-CE1 4.12Å; F45-Y347 HydrophobicContact CG-CD1 4.05Å; F45-Y347 HydrophobicContact CG-CE1 4.04Å; K49-Y347 HydrophobicContact CD-CE1 4.43Å; K49-Y347 HydrophobicContact CD-CE2 4.14Å; L331-Y347 HydrophobicContact CB-CD2 4.45Å; L331-Y347 HydrophobicContact CB-CE2 3.91Å; L331-Y347 HydrophobicContact CD1-CD1 4.42Å; L331-Y347 HydrophobicContact CD1-CD2 4.02Å; L331-Y347 HydrophobicContact CD1-CE1 4.36Å; L331-Y347 HydrophobicContact CD1-CE2 3.96Å; L331-Y347 HydrophobicContact CD1-CG 4.28Å; L343-Y347 HydrophobicContact CD1-CD2 4.18Å; L343-Y347 HydrophobicContact CD1-CE2 3.78Å; L343-Y347 HydrophobicContact CD2-CE2 4.15Å; L343-Y347 HydrophobicContact CG-CD2 4Å; L343-Y347 HydrophobicContact CG-CE2 3.66Å; L343-Y347 VanDerWaalsContact O-CD2 3.22Å; L343-Y347 WeakPolarHBondContact O-CD2 3.42Å; L343-Y347 PolarHBondContact O-N 2.86Å; L343-Y347 VanDerWaalsContact O-N 3.13Å; L345-Y347 VanDerWaalsContact C-N 3.29Å; L345-Y347 PolarHBondContact O-N 3.03Å; Y347-V350 WeakPolarHBondContact O-CG2 3.28Å; Y347-H351 WeakPolarHBondContact O-CB 3.33Å; Y347-H351 PolarHBondContact O-N 3.46Å; Y347-H351 VanDerWaalsContact O-N 3.09Å; Y347-F361 HydrophobicContact CD1-CB 4.46Å; Y347-F361 AromaticContact CD1-CD1 3.37Å; Y347-F361 HydrophobicContact CD1-CD1 3.37Å; Y347-F361 HydrophobicContact CD1-CD2 4.19Å; Y347-F361 AromaticContact CD1-CE1 3.45Å; Y347-F361 HydrophobicContact CD1-CE1 3.45Å; Y347-F361 VanDerWaalsContact CD1-CE1 3.45Å; Y347-F361 HydrophobicContact CD1-CE2 4.27Å; Y347-F361 AromaticContact CD1-CG 3.78Å; Y347-F361 HydrophobicContact CD1-CG 3.78Å; Y347-F361 AromaticContact CD1-CZ 3.92Å; Y347-F361 HydrophobicContact CD1-CZ 3.92Å; Y347-F361 HydrophobicContact CE1-CB 4.08Å; Y347-F361 AromaticContact CE1-CD1 3.48Å; Y347-F361 HydrophobicContact CE1-CD1 3.48Å; Y347-F361 VanDerWaalsContact CE1-CD1 3.48Å; Y347-F361 HydrophobicContact CE1-CE1 4.01Å; Y347-F361 AromaticContact CE1-CG 3.85Å; Y347-F361 HydrophobicContact CE1-CG 3.85Å; Y347-F361 HydrophobicContact CG-CD1 4.37Å; Y347-F361 HydrophobicContact CG-CE1 4.08Å; Y347-F361 HydrophobicContact CG-CZ 4.47Å; Y347-F361 WeakPolarHBondContact O-CZ 3.28Å; Y347-N365 PolarHBondContact OH-ND2 2.97Å; Y347-N365 PolarHBondContact OH-OD1 3.2Å
348	S	98.4	Very high	98.2	Very high	8 Å²	8	37.3 Å²	37.3	6%	0.056	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-44.1	176.2	-177.5	0	0	0	0	111.6	P344 L345 D346 H351 Q352	P344-S348 WeakPolarHBondContact O-CB 3.49Å; P344-S348 PolarHBondContact O-N 3.28Å; L345-S348 WeakPolarHBondContact O-CB 3.34Å; L345-S348 PolarHBondContact O-N 2.84Å; L345-S348 VanDerWaalsContact O-N 3.12Å; D346-S348 PolarHBondContact O-N 3.22Å; S348-H351 PolarHBondContact O-N 3.27Å; S348-Q352 WeakPolarHBondContact O-CB 3.4Å; S348-Q352 VanDerWaalsContact O-CG 3.23Å; S348-Q352 WeakPolarHBondContact O-CG 3.33Å; S348-Q352 PolarHBondContact O-N 2.91Å; S348-Q352 PolarHBondContact OG-NE2 2.8Å
349	I	97.9	Very high	98.2	Very high	23 Å²	23	42.9 Å²	42.9	12%	0.118	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-50.2	-179.6	-72.6	-61.7	0	0	0	111.4	I302 F314 L345 D346 H351 Q352 H353 M354	I302-I349 HydrophobicContact CD1-CG1 4.23Å; I302-I349 HydrophobicContact CG1-CG1 4.22Å; F314-I349 HydrophobicContact CD1-CG2 3.88Å; F314-I349 HydrophobicContact CD2-CD1 4.32Å; F314-I349 HydrophobicContact CD2-CG2 3.71Å; F314-I349 HydrophobicContact CE1-CG2 3.82Å; F314-I349 HydrophobicContact CE2-CD1 3.83Å; F314-I349 HydrophobicContact CE2-CG1 4.33Å; F314-I349 HydrophobicContact CE2-CG2 3.66Å; F314-I349 HydrophobicContact CG-CG2 3.82Å; F314-I349 HydrophobicContact CZ-CD1 4.49Å; F314-I349 HydrophobicContact CZ-CG2 3.7Å; L345-I349 WeakPolarHBondContact O-CG1 3.47Å; L345-I349 PolarHBondContact O-N 2.82Å; D346-I349 PolarHBondContact O-N 2.86Å; I349-H351 VanDerWaalsContact C-N 3.29Å; I349-H351 PolarHBondContact O-N 3.34Å; I349-Q352 PolarHBondContact O-N 3.22Å; I349-H353 WeakPolarHBondContact O-CB 3.18Å; I349-H353 PolarHBondContact O-CD2 3.2Å; I349-H353 PolarHBondContact O-N 3.26Å; I349-M354 HydrophobicContact CG2-CE 4.1Å
350	V	98.5	Very high	98.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.2	-29.6	-177.8	-56.5	0	0	0	0	112.3	P301 L331 D346 Y347 M354 G355 F356 F361	P301-V350 HydrophobicContact CB-CG1 4.01Å; P301-V350 HydrophobicContact CG-CG1 3.59Å; L331-V350 HydrophobicContact CD1-CG2 3.77Å; L331-V350 HydrophobicContact CD2-CG1 4.1Å; D346-V350 WeakPolarHBondContact O-CG1 3.38Å; D346-V350 WeakPolarHBondContact O-CG2 3.42Å; D346-V350 PolarHBondContact O-N 3.46Å; Y347-V350 WeakPolarHBondContact O-CG2 3.28Å; V350-M354 HydrophobicContact CB-CB 4.32Å; V350-M354 HydrophobicContact CB-SD 4.12Å; V350-M354 HydrophobicContact CG1-CE 4.31Å; V350-M354 HydrophobicContact CG1-SD 3.73Å; V350-M354 CarbonylContact O-C 3.37Å; V350-M354 WeakPolarHBondContact O-CA 3.5Å; V350-M354 VanDerWaalsContact O-CB 3.29Å; V350-M354 WeakPolarHBondContact O-CB 3.5Å; V350-M354 PolarHBondContact O-N 3.25Å; V350-G355 PolarHBondContact O-N 2.89Å; V350-F356 HydrophobicContact CB-CB 4.31Å; V350-F356 HydrophobicContact CB-CD1 4.29Å; V350-F356 HydrophobicContact CB-CD2 3.65Å; V350-F356 HydrophobicContact CB-CE2 3.97Å; V350-F356 HydrophobicContact CB-CG 3.82Å; V350-F356 HydrophobicContact CB-CZ 4.42Å; V350-F356 HydrophobicContact CG2-CB 3.88Å; V350-F356 HydrophobicContact CG2-CD1 3.75Å; V350-F356 HydrophobicContact CG2-CD2 3.98Å; V350-F356 HydrophobicContact CG2-CE1 4.26Å; V350-F356 HydrophobicContact CG2-CE2 4.47Å; V350-F356 HydrophobicContact CG2-CG 3.59Å; V350-F356 PolarHBondContact O-N 2.84Å; V350-F361 HydrophobicContact CG2-CE1 3.58Å; V350-F361 HydrophobicContact CG2-CZ 3.89Å
351	H	98.4	Very high	98.3	Very high	86 Å²	86	39 Å²	39	40%	0.398	21%	0.207	S	C	.	.	H	α-helix	trans	-66.5	-49.4	172.1	179.8	65.5	0	0	0	111.9	V44 Y347 S348 I349 F356 F361	V44-H351 HydrophobicContact CG1-CB 3.59Å; V44-H351 VanDerWaalsContact CG1-CD2 3.4Å; V44-H351 WeakPolarHBondContact CG1-CD2 3.48Å; Y347-H351 WeakPolarHBondContact O-CB 3.33Å; Y347-H351 PolarHBondContact O-N 3.46Å; Y347-H351 VanDerWaalsContact O-N 3.09Å; S348-H351 PolarHBondContact O-N 3.27Å; I349-H351 VanDerWaalsContact C-N 3.29Å; I349-H351 PolarHBondContact O-N 3.34Å; H351-F356 PolarHBondContact ND1-O 2.98Å; H351-F361 HydrophobicContact CB-CE2 4.34Å; H351-F361 HydrophobicContact CB-CZ 4.04Å
352	Q	97.8	Very high	98.3	Very high	118 Å²	118	39.4 Å²	39.4	55%	0.551	21%	0.207	S	C	*	.	H	α-helix	trans	-68.3	-37.6	-175.7	-73	174.8	-1.8	0	0	112.9	S348 I349	S348-Q352 WeakPolarHBondContact O-CB 3.4Å; S348-Q352 VanDerWaalsContact O-CG 3.23Å; S348-Q352 WeakPolarHBondContact O-CG 3.33Å; S348-Q352 PolarHBondContact O-N 2.91Å; S348-Q352 PolarHBondContact OG-NE2 2.8Å; I349-Q352 PolarHBondContact O-N 3.22Å
353	H	98	Very high	98.4	Very high	83 Å²	83	38.8 Å²	38.8	38%	0.384	20%	0.2	S	C	.	.	H	α-helix	trans	-114.5	-21	-167.9	-59.5	-68.1	0	0	0	114.8	F314 I349	F314-H353 HydrophobicContact CB-CB 3.65Å; I349-H353 WeakPolarHBondContact O-CB 3.18Å; I349-H353 PolarHBondContact O-CD2 3.2Å; I349-H353 PolarHBondContact O-N 3.26Å
354	M	98.4	Very high	98.4	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.03	20%	0.2	C	C	.	.	H	α-helix	trans	-120.2	2.5	-167.2	-53.1	-177.6	-166.1	0	0	113.6	P301 F314 H317 I319 I320 R323 I349 V350 F356	P301-M354 HydrophobicContact CB-CE 4.33Å; F314-M354 HydrophobicContact CB-CE 3.57Å; F314-M354 HydrophobicContact CD1-CE 3.34Å; F314-M354 HydrophobicContact CE1-CE 4.26Å; F314-M354 HydrophobicContact CG-CE 3.76Å; F314-M354 WeakPolarHBondContact O-CG 3.36Å; H317-M354 HydrophobicContact CB-CE 3.54Å; H317-M354 HydrophobicContact CB-SD 3.79Å; I319-M354 HydrophobicContact CG2-SD 3.32Å; I319-M354 WeakPolarHBondContact CG2-SD 3.47Å; I320-M354 HydrophobicContact CD1-CB 4.15Å; I320-M354 HydrophobicContact CD1-CG 4.12Å; I320-M354 HydrophobicContact CG1-CB 3.71Å; I320-M354 HydrophobicContact CG1-CG 4.03Å; R323-M354 PolarHBondContact NE-O 2.83Å; R323-M354 PolarHBondContact NH2-O 3.4Å; I349-M354 HydrophobicContact CG2-CE 4.1Å; V350-M354 HydrophobicContact CB-CB 4.32Å; V350-M354 HydrophobicContact CB-SD 4.12Å; V350-M354 HydrophobicContact CG1-CE 4.31Å; V350-M354 HydrophobicContact CG1-SD 3.73Å; V350-M354 CarbonylContact O-C 3.37Å; V350-M354 WeakPolarHBondContact O-CA 3.5Å; V350-M354 VanDerWaalsContact O-CB 3.29Å; V350-M354 WeakPolarHBondContact O-CB 3.5Å; V350-M354 PolarHBondContact O-N 3.25Å; M354-F356 HydrophobicContact CB-CD2 3.91Å; M354-F356 HydrophobicContact CB-CE2 4.05Å
355	G	97.3	Very high	98.4	Very high	40 Å²	40	37.3 Å²	37.3	41%	0.412	19%	0.19	S	C	.	.			trans	72.9	31.1	175.1	0	0	0	0	0	113.8	V350	V350-G355 PolarHBondContact O-N 2.89Å
356	F	98.5	Very high	98.4	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	18%	0.179	C	C	.	.			trans	-74	139.9	173	-82.7	-119.1	0	0	0	110.9	I319 R323 Y329 L331 V350 H351 M354 E360 F361 L364	I319-F356 HydrophobicContact CD1-CE2 4.5Å; I319-F356 HydrophobicContact CD1-CZ 3.76Å; I319-F356 HydrophobicContact CG1-CZ 3.98Å; I319-F356 HydrophobicContact CG2-CE2 4.18Å; I319-F356 HydrophobicContact CG2-CZ 4.4Å; R323-F356 HydrophobicContact CB-CE2 4.29Å; R323-F356 HydrophobicContact CB-CZ 4.26Å; R323-F356 HydrophobicContact CG-CE2 4.42Å; R323-F356 HydrophobicContact CG-CZ 4.45Å; Y329-F356 AromaticContact CE2-CE1 3.77Å; Y329-F356 HydrophobicContact CE2-CE1 3.77Å; Y329-F356 AromaticContact CE2-CZ 3.83Å; Y329-F356 HydrophobicContact CE2-CZ 3.83Å; Y329-F356 AromaticContact CZ-CE1 3.86Å; Y329-F356 AromaticContact CZ-CZ 3.84Å; Y329-F356 WeakPolarHBondContact OH-CE1 3.5Å; Y329-F356 WeakPolarHBondContact OH-CZ 3.28Å; L331-F356 HydrophobicContact CD1-CD1 4.48Å; L331-F356 HydrophobicContact CD1-CE1 4.29Å; V350-F356 HydrophobicContact CB-CB 4.31Å; V350-F356 HydrophobicContact CB-CD1 4.29Å; V350-F356 HydrophobicContact CB-CD2 3.65Å; V350-F356 HydrophobicContact CB-CE2 3.97Å; V350-F356 HydrophobicContact CB-CG 3.82Å; V350-F356 HydrophobicContact CB-CZ 4.42Å; V350-F356 HydrophobicContact CG2-CB 3.88Å; V350-F356 HydrophobicContact CG2-CD1 3.75Å; V350-F356 HydrophobicContact CG2-CD2 3.98Å; V350-F356 HydrophobicContact CG2-CE1 4.26Å; V350-F356 HydrophobicContact CG2-CE2 4.47Å; V350-F356 HydrophobicContact CG2-CG 3.59Å; V350-F356 PolarHBondContact O-N 2.84Å; H351-F356 PolarHBondContact ND1-O 2.98Å; M354-F356 HydrophobicContact CB-CD2 3.91Å; M354-F356 HydrophobicContact CB-CE2 4.05Å; F356-E360 HydrophobicContact CD1-CB 4.38Å; F356-E360 HydrophobicContact CD1-CG 3.82Å; F356-E360 HydrophobicContact CE1-CG 3.98Å; F356-E360 HydrophobicContact CG-CG 4.46Å; F356-F361 HydrophobicContact CB-CE1 3.77Å; F356-F361 HydrophobicContact CB-CE2 4.41Å; F356-F361 HydrophobicContact CB-CZ 3.68Å; F356-F361 HydrophobicContact CD1-CD1 4.01Å; F356-F361 AromaticContact CD1-CE1 3.64Å; F356-F361 HydrophobicContact CD1-CE1 3.64Å; F356-F361 HydrophobicContact CD1-CZ 4.42Å; F356-F361 HydrophobicContact CG-CE1 4.1Å; F356-F361 HydrophobicContact CG-CZ 4.48Å; F356-L364 HydrophobicContact CD1-CD2 4.07Å; F356-L364 HydrophobicContact CE1-CD2 3.75Å
357	T	98.4	Very high	98.5	Very high	74 Å²	74	36.4 Å²	36.4	45%	0.454	19%	0.186	S	C	.	.			trans	-117.4	166.5	178.5	64	0	0	0	0	109.9	E359 E360 F361	T357-E359 PolarHBondContact O-N 2.94Å; T357-E360 PolarHBondContact O-N 3.42Å; T357-E360 PolarHBondContact OG1-N 2.89Å; T357-F361 WeakPolarHBondContact O-CD2 3.43Å; T357-F361 WeakPolarHBondContact O-CG 3.03Å; T357-F361 PolarHBondContact O-N 3.48Å
358	E	98.2	Very high	98.5	Very high	90 Å²	90	36.3 Å²	36.3	42%	0.421	19%	0.185	S	C	.	.	H	α-helix	trans	-54.4	-40.1	173.2	-169.9	-174.6	144.6	0	0	112.3	F45 K47 E360 F361 K362	F45-E358 HydrophobicContact CD2-CG 4.04Å; F45-E358 HydrophobicContact CE2-CG 3.94Å; K47-E358 WeakPolarHBondContact CE-OE1 3.29Å; E358-E360 VanDerWaalsContact C-N 3.31Å; E358-E360 PolarHBondContact O-N 3.41Å; E358-F361 WeakPolarHBondContact O-CB 3.41Å; E358-F361 PolarHBondContact O-N 3.21Å; E358-F361 VanDerWaalsContact O-N 3.17Å; E358-K362 WeakPolarHBondContact O-CG 3.3Å; E358-K362 PolarHBondContact O-N 2.88Å; E358-K362 WeakPolarHBondContact OE1-CE 3.28Å; E358-K362 IonicContact OE1-NZ 3.63Å; E358-K362 PolarHBondContact OE1-NZ 3.25Å
359	E	98.4	Very high	98.5	Very high	117 Å²	117	36 Å²	36	55%	0.547	18%	0.182	S	C	.	.	H	α-helix	trans	-64.9	-35.9	177.7	-65.7	-53.9	120.4	0	0	112.5	T357 K362 R363	T357-E359 PolarHBondContact O-N 2.94Å; E359-K362 IonicContact OE1-NZ 3.85Å; E359-K362 PolarHBondContact OE1-NZ 3.41Å; E359-R363 WeakPolarHBondContact O-CB 3.25Å; E359-R363 PolarHBondContact O-N 2.85Å
360	E	98.8	Very high	98.5	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-69.7	-38.3	173.1	-169.6	62.9	-155.5	0	0	111.5	R323 K326 Y329 F356 T357 E358 R363 L364	R323-E360 HydrophobicContact CG-CG 3.84Å; K326-E360 IonicContact NZ-OE2 3.23Å; K326-E360 PolarHBondContact NZ-OE2 2.92Å; Y329-E360 WeakPolarHBondContact OH-CG 3.48Å; Y329-E360 PolarHBondContact OH-OE1 3.48Å; F356-E360 HydrophobicContact CD1-CB 4.38Å; F356-E360 HydrophobicContact CD1-CG 3.82Å; F356-E360 HydrophobicContact CE1-CG 3.98Å; F356-E360 HydrophobicContact CG-CG 4.46Å; T357-E360 PolarHBondContact O-N 3.42Å; T357-E360 PolarHBondContact OG1-N 2.89Å; E358-E360 VanDerWaalsContact C-N 3.31Å; E358-E360 PolarHBondContact O-N 3.41Å; E360-R363 PolarHBondContact O-N 2.73Å; E360-R363 IonicContact OE1-CZ 2.89Å; E360-R363 VanDerWaalsContact OE1-CZ 3.23Å; E360-R363 IonicContact OE1-NE 3.99Å; E360-R363 PolarHBondContact OE1-NE 3.43Å; E360-R363 IonicContact OE1-NH2 3.27Å; E360-R363 PolarHBondContact OE1-NH2 2.97Å; E360-R363 IonicContact OE2-NE 2.88Å; E360-R363 PolarHBondContact OE2-NE 2.96Å; E360-L364 WeakPolarHBondContact O-CG 3.46Å; E360-L364 PolarHBondContact O-N 3.49Å
361	F	98.9	Very high	98.6	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-42	174.1	-66.1	-43.5	0	0	0	112.7	V44 F45 L331 Y347 V350 H351 F356 T357 E358 L364 N365	V44-F361 HydrophobicContact CG1-CE2 3.93Å; F45-F361 HydrophobicContact CB-CD2 3.8Å; F45-F361 HydrophobicContact CB-CE2 4.26Å; F45-F361 HydrophobicContact CB-CG 4.26Å; F45-F361 HydrophobicContact CD1-CB 4.05Å; F45-F361 HydrophobicContact CD2-CB 3.51Å; F45-F361 AromaticContact CD2-CD2 3.8Å; F45-F361 HydrophobicContact CD2-CD2 3.8Å; F45-F361 HydrophobicContact CD2-CG 4.02Å; F45-F361 HydrophobicContact CE1-CB 4.05Å; F45-F361 HydrophobicContact CE2-CB 3.51Å; F45-F361 HydrophobicContact CE2-CG 4.49Å; F45-F361 HydrophobicContact CG-CB 3.78Å; F45-F361 AromaticContact CG-CD2 3.92Å; F45-F361 HydrophobicContact CG-CD2 3.92Å; F45-F361 HydrophobicContact CG-CG 4.03Å; F45-F361 HydrophobicContact CZ-CB 3.78Å; L331-F361 HydrophobicContact CD1-CD1 4.2Å; L331-F361 HydrophobicContact CD1-CE1 3.93Å; Y347-F361 HydrophobicContact CD1-CB 4.46Å; Y347-F361 AromaticContact CD1-CD1 3.37Å; Y347-F361 HydrophobicContact CD1-CD1 3.37Å; Y347-F361 HydrophobicContact CD1-CD2 4.19Å; Y347-F361 AromaticContact CD1-CE1 3.45Å; Y347-F361 HydrophobicContact CD1-CE1 3.45Å; Y347-F361 VanDerWaalsContact CD1-CE1 3.45Å; Y347-F361 HydrophobicContact CD1-CE2 4.27Å; Y347-F361 AromaticContact CD1-CG 3.78Å; Y347-F361 HydrophobicContact CD1-CG 3.78Å; Y347-F361 AromaticContact CD1-CZ 3.92Å; Y347-F361 HydrophobicContact CD1-CZ 3.92Å; Y347-F361 HydrophobicContact CE1-CB 4.08Å; Y347-F361 AromaticContact CE1-CD1 3.48Å; Y347-F361 HydrophobicContact CE1-CD1 3.48Å; Y347-F361 VanDerWaalsContact CE1-CD1 3.48Å; Y347-F361 HydrophobicContact CE1-CE1 4.01Å; Y347-F361 AromaticContact CE1-CG 3.85Å; Y347-F361 HydrophobicContact CE1-CG 3.85Å; Y347-F361 HydrophobicContact CG-CD1 4.37Å; Y347-F361 HydrophobicContact CG-CE1 4.08Å; Y347-F361 HydrophobicContact CG-CZ 4.47Å; Y347-F361 WeakPolarHBondContact O-CZ 3.28Å; V350-F361 HydrophobicContact CG2-CE1 3.58Å; V350-F361 HydrophobicContact CG2-CZ 3.89Å; H351-F361 HydrophobicContact CB-CE2 4.34Å; H351-F361 HydrophobicContact CB-CZ 4.04Å; F356-F361 HydrophobicContact CB-CE1 3.77Å; F356-F361 HydrophobicContact CB-CE2 4.41Å; F356-F361 HydrophobicContact CB-CZ 3.68Å; F356-F361 HydrophobicContact CD1-CD1 4.01Å; F356-F361 AromaticContact CD1-CE1 3.64Å; F356-F361 HydrophobicContact CD1-CE1 3.64Å; F356-F361 HydrophobicContact CD1-CZ 4.42Å; F356-F361 HydrophobicContact CG-CE1 4.1Å; F356-F361 HydrophobicContact CG-CZ 4.48Å; T357-F361 WeakPolarHBondContact O-CD2 3.43Å; T357-F361 WeakPolarHBondContact O-CG 3.03Å; T357-F361 PolarHBondContact O-N 3.48Å; E358-F361 WeakPolarHBondContact O-CB 3.41Å; E358-F361 PolarHBondContact O-N 3.21Å; E358-F361 VanDerWaalsContact O-N 3.17Å; F361-L364 HydrophobicContact CD1-CD2 3.9Å; F361-L364 WeakPolarHBondContact O-CG 3.49Å; F361-N365 PolarHBondContact O-N 2.95Å; F361-N365 PolarHBondContact O-ND2 3.4Å
362	K	98.8	Very high	98.6	Very high	22 Å²	22	36.7 Å²	36.7	10%	0.096	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-48.7	172.8	-68.2	172	-176.2	157.6	0	110.8	F45 E358 E359 L364 N365 I366 Y390	F45-K362 HydrophobicContact CE2-CG 4.16Å; F45-K362 HydrophobicContact CZ-CG 4.26Å; E358-K362 WeakPolarHBondContact O-CG 3.3Å; E358-K362 PolarHBondContact O-N 2.88Å; E358-K362 WeakPolarHBondContact OE1-CE 3.28Å; E358-K362 IonicContact OE1-NZ 3.63Å; E358-K362 PolarHBondContact OE1-NZ 3.25Å; E359-K362 IonicContact OE1-NZ 3.85Å; E359-K362 PolarHBondContact OE1-NZ 3.41Å; K362-L364 PolarHBondContact O-N 3.49Å; K362-N365 PolarHBondContact O-N 3.26Å; K362-I366 WeakPolarHBondContact O-CD1 3.42Å; K362-I366 WeakPolarHBondContact O-CG1 3.24Å; K362-I366 PolarHBondContact O-N 3.1Å; K362-Y390 HydrophobicContact CB-CD2 3.69Å; K362-Y390 HydrophobicContact CB-CE2 3.86Å; K362-Y390 HydrophobicContact CB-CG 4.34Å; K362-Y390 HydrophobicContact CD-CD2 4.34Å; K362-Y390 HydrophobicContact CD-CG 4.2Å; K362-Y390 HydrophobicContact CG-CD1 4.25Å; K362-Y390 HydrophobicContact CG-CD2 3.64Å; K362-Y390 HydrophobicContact CG-CE2 3.97Å; K362-Y390 HydrophobicContact CG-CG 3.78Å
363	R	98.8	Very high	98.6	Very high	53 Å²	53	31.6 Å²	31.6	20%	0.2	16%	0.163	C	C	.	.	H	α-helix	trans	-58.7	-49	-178.9	-170.6	-169	78.7	85.2	6.8	111.9	K326 A327 E359 E360 N365 I366 N367	K326-R363 PolarHBondContact O-NH1 2.91Å; A327-R363 PolarHBondContact O-NH1 3.25Å; A327-R363 PolarHBondContact O-NH2 3.02Å; E359-R363 WeakPolarHBondContact O-CB 3.25Å; E359-R363 PolarHBondContact O-N 2.85Å; E360-R363 PolarHBondContact O-N 2.73Å; E360-R363 IonicContact OE1-CZ 2.89Å; E360-R363 VanDerWaalsContact OE1-CZ 3.23Å; E360-R363 IonicContact OE1-NE 3.99Å; E360-R363 PolarHBondContact OE1-NE 3.43Å; E360-R363 IonicContact OE1-NH2 3.27Å; E360-R363 PolarHBondContact OE1-NH2 2.97Å; E360-R363 IonicContact OE2-NE 2.88Å; E360-R363 PolarHBondContact OE2-NE 2.96Å; R363-N365 PolarHBondContact O-N 3.11Å; R363-I366 PolarHBondContact O-N 2.92Å; R363-N367 PolarHBondContact NH1-ND2 3.21Å; R363-N367 WeakPolarHBondContact O-CB 3.22Å; R363-N367 PolarHBondContact O-N 3.32Å
364	L	98.8	Very high	98.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.5	-39.1	-177.9	75.6	85.1	0	0	0	111.3	Y329 L331 F356 E360 F361 K362 N367 S368	Y329-L364 HydrophobicContact CE2-CB 4.15Å; Y329-L364 HydrophobicContact CE2-CD2 4.06Å; L331-L364 HydrophobicContact CB-CD1 4.33Å; L331-L364 HydrophobicContact CD1-CD1 4.37Å; L331-L364 HydrophobicContact CD1-CD2 3.66Å; L331-L364 HydrophobicContact CG-CD1 4.15Å; L331-L364 HydrophobicContact CG-CD2 3.85Å; F356-L364 HydrophobicContact CD1-CD2 4.07Å; F356-L364 HydrophobicContact CE1-CD2 3.75Å; E360-L364 WeakPolarHBondContact O-CG 3.46Å; E360-L364 PolarHBondContact O-N 3.49Å; F361-L364 HydrophobicContact CD1-CD2 3.9Å; F361-L364 WeakPolarHBondContact O-CG 3.49Å; K362-L364 PolarHBondContact O-N 3.49Å; L364-N367 CarbonylContact O-C 3.54Å; L364-N367 WeakPolarHBondContact O-CB 3.25Å; L364-N367 PolarHBondContact O-N 3.07Å; L364-S368 PolarHBondContact O-N 2.87Å; L364-S368 PolarHBondContact O-OG 3.02Å
365	N	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69	-37.2	177.9	-79.2	-72.3	0	0	0	112.8	K49 I50 Y347 F361 K362 R363 N367 S368 A369 Y390	K49-N365 WeakPolarHBondContact CA-OD1 3.26Å; I50-N365 HydrophobicContact CG1-CB 4.32Å; I50-N365 PolarHBondContact N-OD1 3.33Å; Y347-N365 PolarHBondContact OH-ND2 2.97Å; Y347-N365 PolarHBondContact OH-OD1 3.2Å; F361-N365 PolarHBondContact O-N 2.95Å; F361-N365 PolarHBondContact O-ND2 3.4Å; K362-N365 PolarHBondContact O-N 3.26Å; R363-N365 PolarHBondContact O-N 3.11Å; N365-N367 VanDerWaalsContact C-N 3.3Å; N365-S368 WeakPolarHBondContact O-CB 3.45Å; N365-S368 PolarHBondContact O-N 3.16Å; N365-A369 PolarHBondContact O-N 2.86Å; N365-Y390 HydrophobicContact CB-CE2 4.33Å; N365-Y390 WeakPolarHBondContact CB-OH 3.4Å
366	I	98.9	Very high	98.7	Very high	11 Å²	11	34.5 Å²	34.5	6%	0.056	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-41.4	171.7	-71.7	158.7	0	0	0	110.4	K362 R363 A369 K370 L383 L386 Y387 Y390 M392	K362-I366 WeakPolarHBondContact O-CD1 3.42Å; K362-I366 WeakPolarHBondContact O-CG1 3.24Å; K362-I366 PolarHBondContact O-N 3.1Å; R363-I366 PolarHBondContact O-N 2.92Å; I366-A369 PolarHBondContact O-N 3.23Å; I366-K370 HydrophobicContact CG2-CD 4.26Å; I366-K370 WeakPolarHBondContact O-CG 3.38Å; I366-K370 PolarHBondContact O-N 3.07Å; I366-L383 HydrophobicContact CG2-CD2 4.03Å; I366-L386 HydrophobicContact CG1-CD1 4.48Å; I366-Y387 HydrophobicContact CD1-CD1 4.05Å; I366-Y387 HydrophobicContact CD1-CE1 3.64Å; I366-Y387 HydrophobicContact CG1-CD1 4.39Å; I366-Y387 HydrophobicContact CG1-CE1 3.89Å; I366-Y387 HydrophobicContact CG2-CE1 4.08Å; I366-Y390 HydrophobicContact CD1-CD2 4.09Å; I366-Y390 HydrophobicContact CD1-CE2 4.35Å; I366-Y390 HydrophobicContact CG1-CD2 4.36Å; I366-Y390 HydrophobicContact CG1-CE2 4.22Å; I366-M392 HydrophobicContact CD1-CE 4.02Å; I366-M392 HydrophobicContact CD1-SD 3.67Å
367	N	98.9	Very high	98.6	Very high	24 Å²	24	41.3 Å²	41.3	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-43.2	175.1	-82.3	-2.4	0	0	0	111.8	N328 R363 L364 N365 A369 K370 S371	N328-N367 WeakPolarHBondContact OD1-CB 3.28Å; R363-N367 PolarHBondContact NH1-ND2 3.21Å; R363-N367 WeakPolarHBondContact O-CB 3.22Å; R363-N367 PolarHBondContact O-N 3.32Å; L364-N367 CarbonylContact O-C 3.54Å; L364-N367 WeakPolarHBondContact O-CB 3.25Å; L364-N367 PolarHBondContact O-N 3.07Å; N365-N367 VanDerWaalsContact C-N 3.3Å; N367-A369 VanDerWaalsContact C-N 3.34Å; N367-A369 PolarHBondContact O-N 3.3Å; N367-K370 PolarHBondContact O-N 3.41Å; N367-S371 WeakPolarHBondContact O-CB 3.49Å; N367-S371 PolarHBondContact O-N 3.29Å; N367-S371 PolarHBondContact O-OG 3.18Å
368	S	98.9	Very high	98.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.4	-47.1	172.2	-53.7	0	0	0	0	111.4	S330 L364 N365 K370 S371 S372	S330-S368 WeakPolarHBondContact CB-OG 3.27Å; L364-S368 PolarHBondContact O-N 2.87Å; L364-S368 PolarHBondContact O-OG 3.02Å; N365-S368 WeakPolarHBondContact O-CB 3.45Å; N365-S368 PolarHBondContact O-N 3.16Å; S368-K370 PolarHBondContact O-N 3.24Å; S368-S371 CarbonylContact O-C 3.58Å; S368-S371 PolarHBondContact O-N 3.23Å; S368-S372 PolarHBondContact O-N 3.25Å
369	A	98.9	Very high	98.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-44.6	176.9	0	0	0	0	0	112	I50 N365 I366 N367 S371 S372 K379 L382 L383 L386	I50-A369 HydrophobicContact CG1-CB 4.46Å; N365-A369 PolarHBondContact O-N 2.86Å; I366-A369 PolarHBondContact O-N 3.23Å; N367-A369 VanDerWaalsContact C-N 3.34Å; N367-A369 PolarHBondContact O-N 3.3Å; A369-S371 VanDerWaalsContact C-N 3.29Å; A369-S371 PolarHBondContact O-N 3.07Å; A369-S372 WeakPolarHBondContact O-CB 3.46Å; A369-S372 PolarHBondContact O-N 3.16Å; A369-S372 VanDerWaalsContact O-N 3.15Å; A369-S372 PolarHBondContact O-OG 3Å; A369-K379 WeakPolarHBondContact O-CG 3.37Å; A369-L382 HydrophobicContact CB-CD2 3.85Å; A369-L382 HydrophobicContact CB-CG 4.02Å; A369-L383 HydrophobicContact CB-CD2 3.74Å; A369-L383 HydrophobicContact CB-CG 4.13Å; A369-L386 HydrophobicContact CB-CD1 3.62Å
370	K	98.9	Very high	98.6	Very high	102 Å²	102	36.9 Å²	36.9	44%	0.443	18%	0.175	S	C	.	.	H	α-helix	trans	-60.8	-38.3	175.8	-72.2	172.9	-179.3	179.9	0	112.8	I366 N367 S368 S372 K379 L383	I366-K370 HydrophobicContact CG2-CD 4.26Å; I366-K370 WeakPolarHBondContact O-CG 3.38Å; I366-K370 PolarHBondContact O-N 3.07Å; N367-K370 PolarHBondContact O-N 3.41Å; S368-K370 PolarHBondContact O-N 3.24Å; K370-S372 VanDerWaalsContact C-N 3.33Å; K370-K379 WeakPolarHBondContact O-CD 3.46Å; K370-K379 WeakPolarHBondContact O-CE 3.45Å; K370-K379 PolarHBondContact O-NZ 3.48Å; K370-L383 HydrophobicContact CG-CD1 4.02Å; K370-L383 HydrophobicContact CG-CD2 3.96Å
371	S	98.9	Very high	98.6	Very high	22 Å²	22	40.8 Å²	40.8	15%	0.154	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.6	178.6	-68.4	0	0	0	0	113.8	R273 H296 N328 N367 S368 A369	R273-S371 VanDerWaalsContact CD-O 3.29Å; R273-S371 WeakPolarHBondContact CD-O 3.42Å; R273-S371 PolarHBondContact NH1-O 3.36Å; H296-S371 VanDerWaalsContact ND1-CB 3.27Å; H296-S371 WeakPolarHBondContact ND1-CB 3.49Å; H296-S371 PolarHBondContact ND1-OG 2.9Å; N328-S371 PolarHBondContact ND2-OG 2.95Å; N367-S371 WeakPolarHBondContact O-CB 3.49Å; N367-S371 PolarHBondContact O-N 3.29Å; N367-S371 PolarHBondContact O-OG 3.18Å; S368-S371 CarbonylContact O-C 3.58Å; S368-S371 PolarHBondContact O-N 3.23Å; A369-S371 VanDerWaalsContact C-N 3.29Å; A369-S371 PolarHBondContact O-N 3.07Å
372	S	98.9	Very high	98.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.007	19%	0.194	C	C	.	.	S	Bend	trans	-64.3	154.3	170.8	65.6	0	0	0	0	110.8	Y135 E137 S368 A369 K370 L374 K379	Y135-S372 VanDerWaalsContact CE1-CB 3.41Å; E137-S372 WeakPolarHBondContact OE1-CA 3.26Å; E137-S372 WeakPolarHBondContact OE1-CB 3.44Å; S368-S372 PolarHBondContact O-N 3.25Å; A369-S372 WeakPolarHBondContact O-CB 3.46Å; A369-S372 PolarHBondContact O-N 3.16Å; A369-S372 VanDerWaalsContact O-N 3.15Å; A369-S372 PolarHBondContact O-OG 3Å; K370-S372 VanDerWaalsContact C-N 3.33Å; S372-L374 PolarHBondContact O-N 3.15Å; S372-K379 WeakPolarHBondContact O-CE 3.31Å; S372-K379 PolarHBondContact O-NZ 2.59Å; S372-K379 WeakPolarHBondContact OG-CE 3.32Å
373	F	98.9	Very high	98.6	Very high	10 Å²	10	40.9 Å²	40.9	4%	0.044	20%	0.195	C	C	.	.			trans	-88.7	19.3	173.8	-62.2	-44.1	0	0	0	112.4	E137 I190 V217 A218 H248 T250 E272 R273	E137-F373 PolarHBondContact OE1-N 2.99Å; E137-F373 WeakPolarHBondContact OE2-CD2 3.4Å; I190-F373 HydrophobicContact CD1-CD2 4.14Å; I190-F373 HydrophobicContact CD1-CE2 4.25Å; V217-F373 HydrophobicContact CB-CB 3.81Å; V217-F373 HydrophobicContact CG2-CB 3.88Å; A218-F373 HydrophobicContact CB-CD2 3.37Å; A218-F373 HydrophobicContact CB-CE2 3.53Å; A218-F373 HydrophobicContact CB-CG 4.15Å; A218-F373 HydrophobicContact CB-CZ 4.45Å; H248-F373 HydrophobicContact CB-CB 4.04Å; H248-F373 HydrophobicContact CB-CD1 3.32Å; H248-F373 HydrophobicContact CB-CD2 4.04Å; H248-F373 HydrophobicContact CB-CE1 3.6Å; H248-F373 HydrophobicContact CB-CE2 4.23Å; H248-F373 HydrophobicContact CB-CG 3.54Å; H248-F373 HydrophobicContact CB-CZ 4.02Å; H248-F373 AromaticContact CD2-CD1 3.82Å; H248-F373 AromaticContact CD2-CG 3.99Å; H248-F373 AromaticContact CG-CD1 3.31Å; H248-F373 AromaticContact CG-CE1 3.91Å; H248-F373 AromaticContact CG-CG 3.76Å; H248-F373 AromaticContact ND1-CD1 3.6Å; T250-F373 HydrophobicContact CG2-CE2 4.38Å; E272-F373 HydrophobicContact CB-CE1 4.01Å; E272-F373 HydrophobicContact CB-CZ 4.38Å; R273-F373 HydrophobicContact CB-CZ 4.43Å; R273-F373 HydrophobicContact CG-CE1 4.06Å; R273-F373 HydrophobicContact CG-CZ 3.7Å; R273-F373 VanDerWaalsContact NH2-CE2 3.31Å
374	L	98.6	Very high	98.6	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	21%	0.206	C	C	.	.	S	Bend	trans	-66	147.5	170.7	-74.6	175	0	0	0	111.4	Y135 K186 R188 S372 E378 K379 L382	Y135-L374 HydrophobicContact CD1-CD1 4.42Å; Y135-L374 HydrophobicContact CD2-CD1 4.02Å; Y135-L374 HydrophobicContact CD2-CG 4.48Å; Y135-L374 HydrophobicContact CE1-CD1 4.19Å; Y135-L374 HydrophobicContact CE1-CG 4.22Å; Y135-L374 HydrophobicContact CE2-CD1 3.72Å; Y135-L374 HydrophobicContact CE2-CD2 3.63Å; Y135-L374 HydrophobicContact CE2-CG 3.69Å; Y135-L374 HydrophobicContact CG-CD1 4.34Å; Y135-L374 WeakPolarHBondContact OH-CG 3.24Å; K186-L374 HydrophobicContact CD-CD1 3.97Å; K186-L374 HydrophobicContact CD-CD2 3.77Å; R188-L374 HydrophobicContact CG-CD2 4.01Å; S372-L374 PolarHBondContact O-N 3.15Å; L374-E378 HydrophobicContact CB-CB 4.17Å; L374-E378 HydrophobicContact CD1-CB 4.2Å; L374-E378 HydrophobicContact CD2-CB 4.16Å; L374-E378 HydrophobicContact CG-CB 4.41Å; L374-K379 HydrophobicContact CB-CB 4.2Å; L374-L382 HydrophobicContact CD1-CB 4.42Å; L374-L382 HydrophobicContact CD1-CD2 3.74Å
375	P	97.8	Very high	98.6	Very high	72 Å²	72	47.2 Å²	47.2	47%	0.468	23%	0.227	S	C	.	.			trans	-52.6	146.2	161.9	-23.6	34.2	0	0	0	111.2	K377 E378 K379	P375-K377 VanDerWaalsContact C-N 3.26Å; P375-K377 PolarHBondContact O-N 3.21Å; P375-K377 VanDerWaalsContact O-N 3.11Å; P375-E378 PolarHBondContact O-N 3.34Å; P375-K379 PolarHBondContact O-N 2.98Å
376	E	97.7	Very high	98.5	Very high	114 Å²	114	47.2 Å²	47.2	53%	0.533	23%	0.227	S	C	.	.	H	α-helix	trans	-54.3	-40.4	-170.1	-166.3	59.7	-155.6	0	0	113.3	E378 K379 E380	E376-E378 PolarHBondContact O-N 3.29Å; E376-K379 WeakPolarHBondContact O-CB 3.35Å; E376-K379 PolarHBondContact O-N 3.22Å; E376-E380 WeakPolarHBondContact O-CG 3.44Å; E376-E380 PolarHBondContact O-N 3.34Å
377	K	98.1	Very high	98.5	Very high	145 Å²	145	49.8 Å²	49.8	63%	0.63	24%	0.236	S	C	*	.	H	α-helix	trans	-61.2	-46.8	176.9	-174.3	-174	174.7	-166.8	0	112.7	P375 K379 E380 E381	P375-K377 VanDerWaalsContact C-N 3.26Å; P375-K377 PolarHBondContact O-N 3.21Å; P375-K377 VanDerWaalsContact O-N 3.11Å; K377-K379 VanDerWaalsContact C-N 3.25Å; K377-K379 PolarHBondContact O-N 2.86Å; K377-E380 PolarHBondContact O-N 2.92Å; K377-E381 VanDerWaalsContact CE-OE1 3.29Å; K377-E381 WeakPolarHBondContact CE-OE1 3.08Å; K377-E381 WeakPolarHBondContact O-CG 3.48Å; K377-E381 PolarHBondContact O-N 2.91Å
378	E	98.1	Very high	98.5	Very high	44 Å²	44	54.8 Å²	54.8	21%	0.206	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-31.2	178.5	-68.6	-174.8	-106.1	0	0	111.2	K186 R188 L374 P375 E376 L382	K186-E378 WeakPolarHBondContact CE-OE2 3.4Å; K186-E378 IonicContact NZ-OE2 3.98Å; K186-E378 PolarHBondContact NZ-OE2 3.28Å; R188-E378 IonicContact CZ-OE2 3.74Å; R188-E378 IonicContact NH2-OE2 3.92Å; R188-E378 PolarHBondContact NH2-OE2 3.05Å; L374-E378 HydrophobicContact CB-CB 4.17Å; L374-E378 HydrophobicContact CD1-CB 4.2Å; L374-E378 HydrophobicContact CD2-CB 4.16Å; L374-E378 HydrophobicContact CG-CB 4.41Å; P375-E378 PolarHBondContact O-N 3.34Å; E376-E378 PolarHBondContact O-N 3.29Å; E378-L382 WeakPolarHBondContact O-CB 3.39Å; E378-L382 PolarHBondContact O-N 3.37Å
379	K	98.6	Very high	98.4	Very high	28 Å²	28	56.7 Å²	56.7	12%	0.122	28%	0.275	C	S	.	.	H	α-helix	trans	-67.2	-42.8	174	-174.1	179.5	-65.7	-174.5	0	112.2	A369 K370 S372 L374 P375 E376 K377 L382 L383	A369-K379 WeakPolarHBondContact O-CG 3.37Å; K370-K379 WeakPolarHBondContact O-CD 3.46Å; K370-K379 WeakPolarHBondContact O-CE 3.45Å; K370-K379 PolarHBondContact O-NZ 3.48Å; S372-K379 WeakPolarHBondContact O-CE 3.31Å; S372-K379 PolarHBondContact O-NZ 2.59Å; S372-K379 WeakPolarHBondContact OG-CE 3.32Å; L374-K379 HydrophobicContact CB-CB 4.2Å; P375-K379 PolarHBondContact O-N 2.98Å; E376-K379 WeakPolarHBondContact O-CB 3.35Å; E376-K379 PolarHBondContact O-N 3.22Å; K377-K379 VanDerWaalsContact C-N 3.25Å; K377-K379 PolarHBondContact O-N 2.86Å; K379-L382 PolarHBondContact O-N 2.95Å; K379-L383 HydrophobicContact CG-CD1 4.31Å; K379-L383 WeakPolarHBondContact O-CB 3.09Å; K379-L383 WeakPolarHBondContact O-CG 3.45Å; K379-L383 PolarHBondContact O-N 3.44Å
380	E	98.4	Very high	98.4	Very high	116 Å²	116	57.3 Å²	57.3	54%	0.542	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-44.2	173.3	-73.7	176.3	171.6	0	0	111.6	E376 K377 L382 L383 H384	E376-E380 WeakPolarHBondContact O-CG 3.44Å; E376-E380 PolarHBondContact O-N 3.34Å; K377-E380 PolarHBondContact O-N 2.92Å; E380-L382 PolarHBondContact O-N 3.5Å; E380-L383 PolarHBondContact O-N 3.45Å; E380-H384 WeakPolarHBondContact O-CB 3.5Å; E380-H384 PolarHBondContact O-N 3.06Å
381	E	98.3	Very high	98.3	Very high	87 Å²	87	55.7 Å²	55.7	41%	0.407	29%	0.289	S	S	.	.	H	α-helix	trans	-61	-43	175.4	-71.4	170.1	-172.5	0	0	111.7	K377 H384 Q385	K377-E381 VanDerWaalsContact CE-OE1 3.29Å; K377-E381 WeakPolarHBondContact CE-OE1 3.08Å; K377-E381 WeakPolarHBondContact O-CG 3.48Å; K377-E381 PolarHBondContact O-N 2.91Å; E381-H384 PolarHBondContact O-N 3.45Å; E381-Q385 WeakPolarHBondContact O-CG 3.4Å; E381-Q385 PolarHBondContact O-N 3.48Å; E381-Q385 VanDerWaalsContact O-N 3.13Å
382	L	98.6	Very high	98.2	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-43.6	176.3	-179.3	61.3	0	0	0	111.9	I50 I134 Y135 A369 L374 E378 K379 E380 H384 Q385 L386	I50-L382 HydrophobicContact CD1-CD1 3.74Å; I50-L382 HydrophobicContact CD1-CD2 4.02Å; I50-L382 HydrophobicContact CD1-CG 4.11Å; I134-L382 HydrophobicContact CD1-CD1 3.69Å; I134-L382 HydrophobicContact CG1-CD1 4.05Å; Y135-L382 HydrophobicContact CD1-CD2 3.65Å; Y135-L382 HydrophobicContact CE1-CD2 4.45Å; Y135-L382 HydrophobicContact CG-CD2 3.71Å; A369-L382 HydrophobicContact CB-CD2 3.85Å; A369-L382 HydrophobicContact CB-CG 4.02Å; L374-L382 HydrophobicContact CD1-CB 4.42Å; L374-L382 HydrophobicContact CD1-CD2 3.74Å; E378-L382 WeakPolarHBondContact O-CB 3.39Å; E378-L382 PolarHBondContact O-N 3.37Å; K379-L382 PolarHBondContact O-N 2.95Å; E380-L382 PolarHBondContact O-N 3.5Å; L382-H384 VanDerWaalsContact C-N 3.34Å; L382-H384 PolarHBondContact O-N 2.87Å; L382-Q385 PolarHBondContact O-N 3.31Å; L382-L386 WeakPolarHBondContact O-CG 3.36Å; L382-L386 PolarHBondContact O-N 3.02Å; L382-L386 VanDerWaalsContact O-N 3.1Å
383	L	98.8	Very high	97.7	Very high	22 Å²	22	63.5 Å²	63.5	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-41	176.4	-77.1	167.4	0	0	0	111.9	I366 A369 K370 K379 E380 Q385 L386 Y387	I366-L383 HydrophobicContact CG2-CD2 4.03Å; A369-L383 HydrophobicContact CB-CD2 3.74Å; A369-L383 HydrophobicContact CB-CG 4.13Å; K370-L383 HydrophobicContact CG-CD1 4.02Å; K370-L383 HydrophobicContact CG-CD2 3.96Å; K379-L383 HydrophobicContact CG-CD1 4.31Å; K379-L383 WeakPolarHBondContact O-CB 3.09Å; K379-L383 WeakPolarHBondContact O-CG 3.45Å; K379-L383 PolarHBondContact O-N 3.44Å; E380-L383 PolarHBondContact O-N 3.45Å; L383-Q385 PolarHBondContact O-N 3.5Å; L383-L386 PolarHBondContact O-N 3.12Å; L383-Y387 HydrophobicContact CB-CD2 4.42Å; L383-Y387 HydrophobicContact CB-CE2 4.01Å; L383-Y387 HydrophobicContact CD2-CE2 4.47Å; L383-Y387 WeakPolarHBondContact O-CD2 3.34Å; L383-Y387 VanDerWaalsContact O-CG 3.29Å; L383-Y387 PolarHBondContact O-N 3.22Å
384	H	98.3	Very high	96.6	Very high	91 Å²	91	74.1 Å²	74.1	42%	0.421	37%	0.365	S	S	.	.	H	α-helix	trans	-58.8	-47.3	175.3	-176.8	-80	0	0	0	111.5	E380 E381 L382 L386 Y387 E388 M393	E380-H384 WeakPolarHBondContact O-CB 3.5Å; E380-H384 PolarHBondContact O-N 3.06Å; E381-H384 PolarHBondContact O-N 3.45Å; L382-H384 VanDerWaalsContact C-N 3.34Å; L382-H384 PolarHBondContact O-N 2.87Å; H384-L386 VanDerWaalsContact C-N 3.31Å; H384-L386 PolarHBondContact O-N 3.5Å; H384-Y387 PolarHBondContact O-N 3.02Å; H384-E388 IonicContact CE1-OE2 3.27Å; H384-E388 WeakPolarHBondContact O-CB 3.48Å; H384-E388 PolarHBondContact O-N 3.2Å; H384-M393 WeakPolarHBondContact NE2-CE 3.3Å
385	Q	98.3	Very high	94.7	Very high	95 Å²	95	78.9 Å²	78.9	44%	0.444	40%	0.399	S	S	.	.	H	α-helix	trans	-58.1	-42.7	176.7	-71.4	175.4	56.1	0	0	112.2	I134 E381 L382 L383 A389	I134-Q385 HydrophobicContact CD1-CB 4.27Å; E381-Q385 WeakPolarHBondContact O-CG 3.4Å; E381-Q385 PolarHBondContact O-N 3.48Å; E381-Q385 VanDerWaalsContact O-N 3.13Å; L382-Q385 PolarHBondContact O-N 3.31Å; L383-Q385 PolarHBondContact O-N 3.5Å; Q385-A389 VanDerWaalsContact O-CB 3.3Å; Q385-A389 WeakPolarHBondContact O-CB 3.2Å; Q385-A389 PolarHBondContact O-N 2.74Å
386	L	98.6	Very high	92.6	Very high	0 Å²	0	81.9 Å²	81.9	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-64.5	-47.3	175.9	-68.9	177.6	0	0	0	111.8	P48 I50 I134 I366 A369 L382 L383 H384 E388 A389 Y390	P48-L386 HydrophobicContact CB-CD2 4.05Å; I50-L386 HydrophobicContact CD1-CD1 4.15Å; I50-L386 HydrophobicContact CD1-CD2 4.32Å; I50-L386 HydrophobicContact CG1-CD1 4Å; I50-L386 HydrophobicContact CG1-CD2 4.44Å; I134-L386 HydrophobicContact CD1-CD2 3.75Å; I134-L386 HydrophobicContact CD1-CG 4.21Å; I134-L386 HydrophobicContact CG1-CD2 4.47Å; I366-L386 HydrophobicContact CG1-CD1 4.48Å; A369-L386 HydrophobicContact CB-CD1 3.62Å; L382-L386 WeakPolarHBondContact O-CG 3.36Å; L382-L386 PolarHBondContact O-N 3.02Å; L382-L386 VanDerWaalsContact O-N 3.1Å; L383-L386 PolarHBondContact O-N 3.12Å; H384-L386 VanDerWaalsContact C-N 3.31Å; H384-L386 PolarHBondContact O-N 3.5Å; L386-E388 VanDerWaalsContact C-N 3.31Å; L386-E388 PolarHBondContact O-N 3.34Å; L386-A389 PolarHBondContact O-N 3.23Å; L386-Y390 HydrophobicContact CB-CD2 4.43Å; L386-Y390 HydrophobicContact CB-CE2 4.18Å; L386-Y390 HydrophobicContact CD2-CE1 4.4Å; L386-Y390 HydrophobicContact CD2-CE2 4.16Å; L386-Y390 VanDerWaalsContact O-CB 3.22Å; L386-Y390 WeakPolarHBondContact O-CB 3.47Å; L386-Y390 WeakPolarHBondContact O-CD2 3.22Å; L386-Y390 PolarHBondContact O-N 2.96Å
387	Y	98.5	Very high	90	Very high	65 Å²	65	80.4 Å²	80.4	26%	0.255	42%	0.423	S	S	.	.	H	α-helix	trans	-62.2	-39.4	179.7	-67.4	-40.4	0	0	0	112.5	I366 L383 H384 G391 M392	I366-Y387 HydrophobicContact CD1-CD1 4.05Å; I366-Y387 HydrophobicContact CD1-CE1 3.64Å; I366-Y387 HydrophobicContact CG1-CD1 4.39Å; I366-Y387 HydrophobicContact CG1-CE1 3.89Å; I366-Y387 HydrophobicContact CG2-CE1 4.08Å; L383-Y387 HydrophobicContact CB-CD2 4.42Å; L383-Y387 HydrophobicContact CB-CE2 4.01Å; L383-Y387 HydrophobicContact CD2-CE2 4.47Å; L383-Y387 WeakPolarHBondContact O-CD2 3.34Å; L383-Y387 VanDerWaalsContact O-CG 3.29Å; L383-Y387 PolarHBondContact O-N 3.22Å; H384-Y387 PolarHBondContact O-N 3.02Å; Y387-G391 PolarHBondContact O-N 3.27Å; Y387-M392 HydrophobicContact CD1-CB 4.03Å; Y387-M392 HydrophobicContact CD1-CE 4.45Å; Y387-M392 HydrophobicContact CD1-SD 4.19Å; Y387-M392 HydrophobicContact CE1-CE 4.47Å; Y387-M392 PolarHBondContact O-N 3.1Å
388	E	97.9	Very high	87.2	Confident	129 Å²	129	85 Å²	85	60%	0.603	45%	0.453	S	S	*	.	H	α-helix	trans	-62.8	-54	173.7	-176.3	173.9	-160.7	0	0	111.1	H384 L386 Y390 G391 M393	H384-E388 IonicContact CE1-OE2 3.27Å; H384-E388 WeakPolarHBondContact O-CB 3.48Å; H384-E388 PolarHBondContact O-N 3.2Å; L386-E388 VanDerWaalsContact C-N 3.31Å; L386-E388 PolarHBondContact O-N 3.34Å; E388-Y390 PolarHBondContact O-N 3.06Å; E388-Y390 VanDerWaalsContact O-N 3.16Å; E388-G391 PolarHBondContact O-N 3.32Å; E388-M393 HydrophobicContact CB-CG 4.2Å
389	A	97.9	Very high	86.6	Confident	40 Å²	40	87.1 Å²	87.1	33%	0.331	47%	0.466	S	S	.	.	H	α-helix	trans	-62.7	-25.4	-178.9	0	0	0	0	0	113.7	P48 Q385 L386	P48-A389 HydrophobicContact CG-CB 3.63Å; Q385-A389 VanDerWaalsContact O-CB 3.3Å; Q385-A389 WeakPolarHBondContact O-CB 3.2Å; Q385-A389 PolarHBondContact O-N 2.74Å; L386-A389 PolarHBondContact O-N 3.23Å
390	Y	98.2	Very high	86	Confident	13 Å²	13	90.2 Å²	90.2	5%	0.051	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.9	179.2	-61.6	-9.6	0	0	0	113.4	F45 K47 P48 K362 N365 I366 L386 E388 M392	F45-Y390 HydrophobicContact CE1-CE1 4.46Å; F45-Y390 AromaticContact CZ-CE1 3.86Å; F45-Y390 HydrophobicContact CZ-CE1 3.86Å; F45-Y390 AromaticContact CZ-CZ 3.86Å; K47-Y390 HydrophobicContact CB-CD1 4.25Å; K47-Y390 HydrophobicContact CB-CE1 3.78Å; K47-Y390 HydrophobicContact CD-CD1 3.89Å; K47-Y390 HydrophobicContact CD-CE1 4.18Å; P48-Y390 PolarHBondContact O-OH 3.07Å; K362-Y390 HydrophobicContact CB-CD2 3.69Å; K362-Y390 HydrophobicContact CB-CE2 3.86Å; K362-Y390 HydrophobicContact CB-CG 4.34Å; K362-Y390 HydrophobicContact CD-CD2 4.34Å; K362-Y390 HydrophobicContact CD-CG 4.2Å; K362-Y390 HydrophobicContact CG-CD1 4.25Å; K362-Y390 HydrophobicContact CG-CD2 3.64Å; K362-Y390 HydrophobicContact CG-CE2 3.97Å; K362-Y390 HydrophobicContact CG-CG 3.78Å; N365-Y390 HydrophobicContact CB-CE2 4.33Å; N365-Y390 WeakPolarHBondContact CB-OH 3.4Å; I366-Y390 HydrophobicContact CD1-CD2 4.09Å; I366-Y390 HydrophobicContact CD1-CE2 4.35Å; I366-Y390 HydrophobicContact CG1-CD2 4.36Å; I366-Y390 HydrophobicContact CG1-CE2 4.22Å; L386-Y390 HydrophobicContact CB-CD2 4.43Å; L386-Y390 HydrophobicContact CB-CE2 4.18Å; L386-Y390 HydrophobicContact CD2-CE1 4.4Å; L386-Y390 HydrophobicContact CD2-CE2 4.16Å; L386-Y390 VanDerWaalsContact O-CB 3.22Å; L386-Y390 WeakPolarHBondContact O-CB 3.47Å; L386-Y390 WeakPolarHBondContact O-CD2 3.22Å; L386-Y390 PolarHBondContact O-N 2.96Å; E388-Y390 PolarHBondContact O-N 3.06Å; E388-Y390 VanDerWaalsContact O-N 3.16Å; Y390-M392 VanDerWaalsContact C-N 3.31Å; Y390-M392 HydrophobicContact CD2-SD 4.3Å
391	G	97.1	Very high	85.3	Confident	68 Å²	68	88.7 Å²	88.7	70%	0.701	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	29.3	-179.1	0	0	0	0	0	113.5	Y387 E388	Y387-G391 PolarHBondContact O-N 3.27Å; E388-G391 PolarHBondContact O-N 3.32Å
392	M	95.8	Very high	84.6	Confident	95 Å²	95	88.8 Å²	88.8	47%	0.468	49%	0.485	S	S	.	.			trans	-100.5	-0.2	-176.9	-61.6	-179.7	69.9	0	0	113.3	I366 Y387 Y390 R394	I366-M392 HydrophobicContact CD1-CE 4.02Å; I366-M392 HydrophobicContact CD1-SD 3.67Å; Y387-M392 HydrophobicContact CD1-CB 4.03Å; Y387-M392 HydrophobicContact CD1-CE 4.45Å; Y387-M392 HydrophobicContact CD1-SD 4.19Å; Y387-M392 HydrophobicContact CE1-CE 4.47Å; Y387-M392 PolarHBondContact O-N 3.1Å; Y390-M392 VanDerWaalsContact C-N 3.31Å; Y390-M392 HydrophobicContact CD2-SD 4.3Å; M392-R394 PolarHBondContact O-N 3.45Å
393	M	89.3	Confident	83.7	Confident	91 Å²	91	94.1 Å²	94.1	45%	0.448	51%	0.514	S	S	.	.	S	Bend	trans	-66.8	126.8	171.8	-66.7	-62.8	-73.4	0	0	109.6	H384 E388 S395	H384-M393 WeakPolarHBondContact NE2-CE 3.3Å; E388-M393 HydrophobicContact CB-CG 4.2Å; M393-S395 PolarHBondContact O-N 3.16Å
394	R	75.4	Confident	82.7	Confident	234 Å²	234	98.9 Å²	98.9	88%	0.883	54%	0.541	S	S	*	.			trans	-66.8	126.4	170.8	-69.6	-175.7	-179.3	-176.6	0.9	107.9	M392 T396	M392-R394 PolarHBondContact O-N 3.45Å; R394-T396 PolarHBondContact O-N 2.98Å
395	S	59.9	Low	81.6	Confident	104 Å²	104	99.5 Å²	99.5	73%	0.727	55%	0.549	S	S	*	.			trans	-58.2	107.9	168.5	-178.4	0	0	0	0	108.2	M393 A397	M393-S395 PolarHBondContact O-N 3.16Å; S395-A397 PolarHBondContact O-N 3.29Å; S395-A397 PolarHBondContact OG-N 3.02Å
396	T	53	Low	80.3	Confident	134 Å²	134	99.8 Å²	99.8	82%	0.822	56%	0.557	S	S	*	*			trans	-75.3	64	162.6	51.6	0	0	0	0	107.8	R394 L398	R394-T396 PolarHBondContact O-N 2.98Å; T396-L398 PolarHBondContact O-N 2.71Å
397	A	44	Very low	78.8	Confident	84 Å²	84	108.2 Å²	108.2	69%	0.694	60%	0.604	S	S	*	*			trans	-79.8	98.9	163.2	0	0	0	0	0	106.2	S395	S395-A397 PolarHBondContact O-N 3.29Å; S395-A397 PolarHBondContact OG-N 3.02Å
398	L	38	Very low	77	Confident	241 Å²	241	112.1 Å²	112.1	100%	1.262	64%	0.635	S	S	*	*			trans	-87.9	0	161.6	-91.7	163.3	0	0	0	109.2	T396	T396-L398 PolarHBondContact O-N 2.71Å

Retrieved 398 of 398 residues in 206.9 ms (Link to these results)

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