A0A096NKQ2_PAPAN Loading...

Phenylalanine--tRNA ligase, mitochondrial

Is responsible for the charging of tRNA(Phe) with phenylalanine in mitochondrial translation. To a lesser extent, also catalyzes direct attachment of m-Tyr (an oxidized version of Phe) to tRNA(Phe), thereby opening the way for delivery of the misacylated tRNA to the ribosome and incorporation of ROS-damaged amino acid into proteins.

AlphaFold DB , UniProt , Accession A0A096NKQ2, Species PAPAN (Papio anubis, Olive baboon), Gene FARS2, Length 451 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	29.2	Very low	246 Å²	246	155.7 Å²	155.7	100%	1.212	87%	0.867	S	S	*	*				0	126.5	0	-76.9	-179.4	-162.6	0	0	108
2	M	31.2	Very low	29	Very low	195 Å²	195	149.4 Å²	149.4	96%	0.961	85%	0.85	S	S	*	*			trans	35.2	117.7	157.5	-70	176.2	159.9	0	0	118.1
3	G	26.4	Very low	28.8	Very low	78 Å²	78	156 Å²	156	80%	0.804	86%	0.855	S	S	*	*			cis	102.4	109.9	45.1	0	0	0	0	0	108.3
4	S	30.5	Very low	28.8	Very low	115 Å²	115	152.6 Å²	152.6	80%	0.804	84%	0.841	S	S	*	*				157.8	116.5	109	169	0	0	0	0	106.2
5	A	30.9	Very low	28.4	Very low	77 Å²	77	155.3 Å²	155.3	64%	0.636	84%	0.836	S	S	*	*				75.2	121.6	66.9	0	0	0	0	0	115.8
6	L	28.7	Very low	28.2	Very low	156 Å²	156	156 Å²	156	82%	0.817	84%	0.838	S	S	*	*			trans	77.3	116.6	139.9	-73.3	154.1	0	0	0	121.6
7	R	28.4	Very low	28.1	Very low	235 Å²	235	153.7 Å²	153.7	89%	0.887	83%	0.83	S	S	*	*				160.3	108.4	111.2	-86.8	178.3	-173.7	-145.9	0.8	109.3
8	R	29.3	Very low	28	Very low	252 Å²	252	151.2 Å²	151.2	95%	0.951	83%	0.826	S	S	*	*				38	116	89.1	-77.9	-167.9	-174.8	-171.4	2.8	115.1
9	G	27.5	Very low	27.9	Very low	78 Å²	78	153.7 Å²	153.7	80%	0.804	83%	0.828	S	S	*	*			trans	-164.2	89.7	162.9	0	0	0	0	0	110
10	A	26	Very low	27.9	Very low	98 Å²	98	150.8 Å²	150.8	81%	0.81	83%	0.826	S	S	*	*			trans	-75.2	140.1	168.3	0	0	0	0	0	109.4
11	H	28.2	Very low	27.8	Very low	183 Å²	183	149.4 Å²	149.4	85%	0.847	83%	0.827	S	S	*	*			trans	-124.4	103.4	156.7	-100.3	-74	0	0	0	109.1
12	A	26.8	Very low	27.4	Very low	80 Å²	80	145.5 Å²	145.5	66%	0.661	81%	0.806	S	S	*	*			trans	-71	139.4	161.2	0	0	0	0	0	109.3	V14	A12-V14 HydrophobicContact CB-CG2 4.39Å
13	Y	26.1	Very low	27.2	Very low	235 Å²	235	142.2 Å²	142.2	92%	0.922	79%	0.791	S	S	*	*			trans	-110.1	121.2	154.2	-102.1	-88.3	0	0	0	107.8
14	V	28.1	Very low	27.1	Very low	109 Å²	109	144.6 Å²	144.6	66%	0.661	80%	0.795	S	S	*	*			trans	-126.7	128.1	-174.6	154.2	0	0	0	0	106.7	A12	A12-V14 HydrophobicContact CB-CG2 4.39Å
15	Y	23.6	Very low	26.8	Very low	193 Å²	193	150.1 Å²	150.1	76%	0.757	80%	0.798	S	S	*	*			trans	71.5	127.5	153.4	-81.8	-117.2	0	0	0	120.9
16	L	24.9	Very low	26.5	Very low	166 Å²	166	150.2 Å²	150.2	87%	0.869	81%	0.806	S	S	*	*				-162.6	131.2	92.1	-107.2	152.8	0	0	0	113.7
17	V	27.4	Very low	26.3	Very low	117 Å²	117	151.1 Å²	151.1	71%	0.709	81%	0.806	S	S	*	*			trans	-86.8	140.3	166.6	169.2	0	0	0	0	109
18	S	25.1	Very low	26.2	Very low	109 Å²	109	149.2 Å²	149.2	76%	0.762	81%	0.808	S	S	*	*			trans	-176.7	148.7	144.4	102.3	0	0	0	0	108
19	K	25.8	Very low	26	Very low	199 Å²	199	145.8 Å²	145.8	87%	0.865	80%	0.802	S	S	*	*			cis	-172.3	147.6	-14.3	-135.4	-178.4	-174.9	177.5	0	104.6
20	A	28	Very low	25.9	Very low	94 Å²	94	151.5 Å²	151.5	78%	0.777	81%	0.808	S	S	*	*			trans	-67.1	157.2	172.9	0	0	0	0	0	113.2
21	S	26.1	Very low	25.9	Very low	122 Å²	122	151.1 Å²	151.1	85%	0.853	80%	0.804	S	S	*	*			trans	-146.4	132.8	148.5	53.3	0	0	0	0	113
22	H	26.2	Very low	25.7	Very low	165 Å²	165	155.2 Å²	155.2	76%	0.764	81%	0.812	S	S	*	*			trans	-64.3	152.2	-169	-85.1	-77.6	0	0	0	120.5
23	I	27.6	Very low	25.6	Very low	126 Å²	126	154.4 Å²	154.4	65%	0.646	81%	0.812	S	S	*	*				64.1	125.5	126.7	-60.3	166.4	0	0	0	120
24	S	23.4	Very low	25.6	Very low	127 Å²	127	149 Å²	149	89%	0.888	81%	0.809	S	S	*	*				-143.8	123.9	125.5	-83	0	0	0	0	111.6
25	R	24.5	Very low	25.5	Very low	231 Å²	231	155.2 Å²	155.2	87%	0.872	82%	0.82	S	S	*	*			trans	-77.5	132.5	170.4	-82.9	176.6	167.1	176.7	-4.8	108.9
26	G	24.6	Very low	25.8	Very low	79 Å²	79	152.1 Å²	152.1	81%	0.814	82%	0.824	S	S	*	*			trans	-131	108.1	161.5	0	0	0	0	0	109.4
27	H	24.8	Very low	26	Very low	175 Å²	175	148.4 Å²	148.4	81%	0.81	82%	0.817	S	S	*	*			trans	-75.7	128.9	165.4	-85.4	-61.2	0	0	0	109.1
28	Q	26.4	Very low	26.3	Very low	196 Å²	196	148 Å²	148	92%	0.916	83%	0.826	S	S	*	*			trans	-148.7	121.4	151.1	-109.6	173.4	5.3	0	0	110.2
29	H	25.7	Very low	26.5	Very low	180 Å²	180	147.1 Å²	147.1	83%	0.833	83%	0.826	S	S	*	*			trans	-74.9	136	166.1	-88.3	-88.8	0	0	0	109.9
30	Q	25.4	Very low	26.7	Very low	198 Å²	198	144.7 Å²	144.7	93%	0.925	82%	0.817	S	S	*	*			trans	159.6	145.1	152.4	-96.3	171.2	-8.3	0	0	106.7
31	A	24.9	Very low	26.7	Very low	89 Å²	89	145.5 Å²	145.5	74%	0.736	82%	0.816	S	S	*	*			cis	-167.9	159.4	-17.5	0	0	0	0	0	104.4
32	W	23.6	Very low	27.1	Very low	269 Å²	269	143.1 Å²	143.1	100%	1.019	80%	0.804	S	S	*	*			trans	-50.1	146.2	174.8	-102.9	-56.8	0	0	0	115.3
33	G	25.1	Very low	27.2	Very low	64 Å²	64	138.9 Å²	138.9	66%	0.66	80%	0.798	S	S	*	*			trans	107.1	118.2	167.9	0	0	0	0	0	111.5
34	S	26.1	Very low	27.6	Very low	122 Å²	122	142 Å²	142	85%	0.853	81%	0.81	S	S	*	*				-166.5	142.2	51	-47	0	0	0	0	108.4
35	R	27.1	Very low	28.7	Very low	238 Å²	238	143.9 Å²	143.9	90%	0.898	80%	0.797	S	S	*	*			trans	-58.7	138.3	169.8	-68.7	173.5	169.8	178.3	-4.7	110.1	A37	R35-A37 PolarHBondContact O-N 3.31Å
36	P	28.5	Very low	29.6	Very low	128 Å²	128	136 Å²	136	83%	0.831	78%	0.782	S	S	*	*			trans	-74.7	112.7	151	10.1	6.7	0	0	0	106.6	A38	P36-A38 PolarHBondContact O-N 3.45Å
37	A	29.6	Very low	30.4	Very low	88 Å²	88	139 Å²	139	73%	0.727	79%	0.786	S	S	*	*			trans	-56.2	133.6	170.1	0	0	0	0	0	109.4	R35 A39	R35-A37 PolarHBondContact O-N 3.31Å; A37-A39 PolarHBondContact O-N 3.15Å; A37-A39 VanDerWaalsContact O-N 3.15Å
38	A	33.8	Very low	31.9	Very low	109 Å²	109	133.8 Å²	133.8	90%	0.901	78%	0.78	S	S	*	*			trans	-54.9	116.3	164.8	0	0	0	0	0	108.6	P36	P36-A38 PolarHBondContact O-N 3.45Å
39	A	29.6	Very low	34.6	Very low	91 Å²	91	126.2 Å²	126.2	75%	0.752	75%	0.749	S	S	*	*			trans	-129.3	60.9	171.3	0	0	0	0	0	108.3	A37 C41	A37-A39 PolarHBondContact O-N 3.15Å; A37-A39 VanDerWaalsContact O-N 3.15Å; A39-C41 PolarHBondContact O-N 3.28Å
40	E	30.6	Very low	37.8	Very low	147 Å²	147	121 Å²	121	69%	0.687	73%	0.729	S	S	*	*			trans	-84.1	81	150.5	-85.4	-176.4	172.8	0	0	106.1	R444	E40-R444 IonicContact OE2-NH2 3.15Å; E40-R444 PolarHBondContact OE2-NH2 2.67Å; E40-R444 VanDerWaalsContact OE2-NH2 3.08Å
41	C	27	Very low	41	Very low	111 Å²	111	112.4 Å²	112.4	75%	0.75	69%	0.69	S	S	*	*			trans	-62.8	143.7	173.5	-159.9	0	0	0	0	108.8	A39 A43	A39-C41 PolarHBondContact O-N 3.28Å; C41-A43 PolarHBondContact O-N 2.69Å
42	A	34.4	Very low	44.3	Very low	73 Å²	73	115.9 Å²	115.9	60%	0.603	69%	0.692	S	S	*	*			trans	-62.3	77.9	163.5	0	0	0	0	0	109.1	Q443	A42-Q443 VanDerWaalsContact CB-O 3.22Å; A42-Q443 WeakPolarHBondContact CB-O 3.43Å
43	A	29.1	Very low	47.7	Very low	76 Å²	76	103.9 Å²	103.9	63%	0.628	65%	0.647	S	S	*	*			trans	-88	129.3	171.7	0	0	0	0	0	107.7	C41 R45	C41-A43 PolarHBondContact O-N 2.69Å; A43-R45 PolarHBondContact O-N 3.18Å
44	Q	35.7	Very low	50.9	Low	192 Å²	192	106.1 Å²	106.1	90%	0.897	64%	0.643	S	S	*	*			trans	-37.7	117.9	152	-70	166.3	-28.9	0	0	108.1	A46	Q44-A46 PolarHBondContact O-N 3.46Å
45	R	46.3	Very low	54.1	Low	166 Å²	166	104.5 Å²	104.5	63%	0.626	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-47.3	123.3	-172.2	-70.3	176.5	179.7	178	-2.6	109.2	A43 S64	A43-R45 PolarHBondContact O-N 3.18Å; R45-S64 PolarHBondContact NH1-O 3.24Å
46	A	42.6	Very low	57.4	Low	66 Å²	66	96.5 Å²	96.5	55%	0.545	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-55.5	127.5	-177.4	0	0	0	0	0	109.9	Q44 G48 S49	Q44-A46 PolarHBondContact O-N 3.46Å; A46-G48 PolarHBondContact O-N 3.06Å; A46-G48 VanDerWaalsContact O-N 3.11Å; A46-S49 PolarHBondContact O-N 3.38Å
47	P	41.5	Very low	60.6	Low	140 Å²	140	93.6 Å²	93.6	91%	0.909	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	119	173.2	-19.9	29.7	0	0	0	109.3
48	G	56.4	Low	63.8	Low	66 Å²	66	90.5 Å²	90.5	68%	0.68	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.3	18.1	179.8	0	0	0	0	0	116.3	A46	A46-G48 PolarHBondContact O-N 3.06Å; A46-G48 VanDerWaalsContact O-N 3.11Å
49	S	84.4	Confident	66.8	Low	37 Å²	37	89 Å²	89	26%	0.259	56%	0.557	S	S	.	*			trans	-65.7	141.6	167.6	59.3	0	0	0	0	111.4	A46 Q60	A46-S49 PolarHBondContact O-N 3.38Å; S49-Q60 WeakPolarHBondContact O-CB 3.45Å; S49-Q60 WeakPolarHBondContact O-CG 3.45Å; S49-Q60 PolarHBondContact O-N 3.44Å; S49-Q60 PolarHBondContact OG-OE1 3.01Å
50	V	91.9	Very high	69.9	Low	71 Å²	71	87.5 Å²	87.5	43%	0.43	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.6	-175.4	168.7	0	0	0	0	108.9	E52 S57	V50-E52 HydrophobicContact CG1-CG 4.25Å; V50-S57 WeakPolarHBondContact CG1-OG 3.22Å
51	V	93.6	Very high	73	Confident	17 Å²	17	82.9 Å²	82.9	10%	0.103	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.1	166.3	176.6	0	0	0	0	108.3	Y58 Q60 L71	V51-Y58 PolarHBondContact N-O 2.95Å; V51-Y58 PolarHBondContact O-N 2.91Å; V51-Q60 HydrophobicContact CG2-CG 3.8Å; V51-L71 HydrophobicContact CG1-CD1 3.86Å; V51-L71 HydrophobicContact CG1-CD2 4.27Å
52	E	94.3	Very high	76.1	Confident	163 Å²	163	81.6 Å²	81.6	76%	0.762	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.7	170.8	-66.9	-175.5	172.6	0	0	109.8	V50 T56	V50-E52 HydrophobicContact CG1-CG 4.25Å; E52-T56 WeakPolarHBondContact CA-O 3.38Å
53	L	94.1	Very high	78.9	Confident	16 Å²	16	82 Å²	82	8%	0.084	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	126.9	179	-176.8	60.1	0	0	0	110.2	G55 T56 Y58 L71 V74 V119 L146 L152	L53-G55 PolarHBondContact O-N 2.81Å; L53-T56 PolarHBondContact N-O 3.04Å; L53-T56 PolarHBondContact O-N 2.72Å; L53-Y58 HydrophobicContact CB-CD2 4.42Å; L53-Y58 HydrophobicContact CB-CE2 4.11Å; L53-L71 HydrophobicContact CD1-CD2 4.17Å; L53-L71 HydrophobicContact CD2-CD2 3.93Å; L53-V74 HydrophobicContact CD1-CB 4.1Å; L53-V74 HydrophobicContact CD1-CG1 3.96Å; L53-V74 HydrophobicContact CD1-CG2 4.37Å; L53-V74 HydrophobicContact CD2-CG1 4.42Å; L53-V74 HydrophobicContact CD2-CG2 4.43Å; L53-V119 HydrophobicContact CD2-CG2 3.55Å; L53-V119 HydrophobicContact CG-CG2 4.34Å; L53-L146 HydrophobicContact CD2-CD2 4.38Å; L53-L152 HydrophobicContact CD2-CD2 4.1Å
54	L	93.1	Very high	82.1	Confident	112 Å²	112	78.5 Å²	78.5	59%	0.586	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	35.3	179.7	-57.7	175.7	0	0	0	114	T56 V74	L54-T56 VanDerWaalsContact C-N 3.3Å; L54-T56 PolarHBondContact O-N 3.22Å; L54-V74 HydrophobicContact CD1-CG1 4.36Å
55	G	92.4	Very high	84.9	Confident	87 Å²	87	70.4 Å²	70.4	90%	0.897	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	0.3	179.9	0	0	0	0	0	115	L53	L53-G55 PolarHBondContact O-N 2.81Å
56	T	95.9	Very high	87.2	Confident	70 Å²	70	63.6 Å²	63.6	43%	0.429	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.5	176.9	-54.4	0	0	0	0	110.6	E52 L53 L54 Y58	E52-T56 WeakPolarHBondContact CA-O 3.38Å; L53-T56 PolarHBondContact N-O 3.04Å; L53-T56 PolarHBondContact O-N 2.72Å; L54-T56 VanDerWaalsContact C-N 3.3Å; L54-T56 PolarHBondContact O-N 3.22Å; T56-Y58 WeakPolarHBondContact CB-OH 3.15Å; T56-Y58 HydrophobicContact CG2-CD2 4.48Å; T56-Y58 HydrophobicContact CG2-CE1 3.99Å; T56-Y58 HydrophobicContact CG2-CE2 3.78Å; T56-Y58 VanDerWaalsContact CG2-CZ 3.49Å; T56-Y58 WeakPolarHBondContact CG2-OH 3.42Å; T56-Y58 WeakPolarHBondContact O-CD2 3.43Å; T56-Y58 WeakPolarHBondContact O-CE2 3.39Å
57	S	96.3	Very high	89.6	Confident	68 Å²	68	61.7 Å²	61.7	48%	0.476	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.8	179.8	166.8	0	0	0	0	110.7	V50	V50-S57 WeakPolarHBondContact CG1-OG 3.22Å
58	Y	96.8	Very high	92	Very high	22 Å²	22	64.9 Å²	64.9	9%	0.086	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	111.3	-179.5	-57.7	-87.4	0	0	0	109.7	V51 L53 T56 V119 L146 H150	V51-Y58 PolarHBondContact N-O 2.95Å; V51-Y58 PolarHBondContact O-N 2.91Å; L53-Y58 HydrophobicContact CB-CD2 4.42Å; L53-Y58 HydrophobicContact CB-CE2 4.11Å; T56-Y58 WeakPolarHBondContact CB-OH 3.15Å; T56-Y58 HydrophobicContact CG2-CD2 4.48Å; T56-Y58 HydrophobicContact CG2-CE1 3.99Å; T56-Y58 HydrophobicContact CG2-CE2 3.78Å; T56-Y58 VanDerWaalsContact CG2-CZ 3.49Å; T56-Y58 WeakPolarHBondContact CG2-OH 3.42Å; T56-Y58 WeakPolarHBondContact O-CD2 3.43Å; T56-Y58 WeakPolarHBondContact O-CE2 3.39Å; Y58-V119 HydrophobicContact CE1-CG1 4Å; Y58-L146 HydrophobicContact CD1-CD2 3.73Å; Y58-L146 HydrophobicContact CD2-CD2 3.28Å; Y58-L146 HydrophobicContact CE1-CD2 4.06Å; Y58-L146 HydrophobicContact CE2-CD2 3.65Å; Y58-L146 HydrophobicContact CG-CB 4.38Å; Y58-L146 HydrophobicContact CG-CD2 3.32Å; Y58-L146 HydrophobicContact CG-CG 4.46Å; Y58-H150 HydrophobicContact CD1-CB 4.18Å; Y58-H150 HydrophobicContact CE1-CB 4.24Å; Y58-H150 AromaticContact CE1-CD2 3.84Å; Y58-H150 AromaticContact CE1-CG 3.96Å
59	P	96.1	Very high	93.6	Very high	79 Å²	79	64.8 Å²	64.8	51%	0.513	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	137.8	175.9	28.2	-33.5	0	0	0	109.6	N147	P59-N147 VanDerWaalsContact O-CB 3.29Å; P59-N147 WeakPolarHBondContact O-CB 3.03Å; P59-N147 PolarHBondContact O-ND2 3.1Å; P59-N147 VanDerWaalsContact O-ND2 3.14Å
60	Q	95	Very high	94.1	Very high	59 Å²	59	63.2 Å²	63.2	28%	0.276	34%	0.342	S	S	.	.			trans	-82.2	149	177.1	-62.3	-165.9	-65.6	0	0	111.8	S49 V51 S64	S49-Q60 WeakPolarHBondContact O-CB 3.45Å; S49-Q60 WeakPolarHBondContact O-CG 3.45Å; S49-Q60 PolarHBondContact O-N 3.44Å; S49-Q60 PolarHBondContact OG-OE1 3.01Å; V51-Q60 HydrophobicContact CG2-CG 3.8Å; Q60-S64 WeakPolarHBondContact CA-OG 3.32Å; Q60-S64 WeakPolarHBondContact CB-OG 3.18Å
61	D	95	Very high	94.2	Very high	50 Å²	50	61.7 Å²	61.7	27%	0.267	33%	0.331	S	S	.	.			trans	-141.9	-164	176.6	65	19.2	0	0	0	111.3	Y63 S64 N147 R148	D61-Y63 PolarHBondContact O-N 3.19Å; D61-Y63 WeakPolarHBondContact OD1-CA 3.24Å; D61-Y63 WeakPolarHBondContact OD1-CB 3.19Å; D61-Y63 PolarHBondContact OD1-N 2.82Å; D61-S64 PolarHBondContact N-OG 3.21Å; D61-S64 WeakPolarHBondContact O-CB 3.22Å; D61-S64 PolarHBondContact O-N 2.72Å; D61-S64 PolarHBondContact O-OG 3.15Å; D61-S64 PolarHBondContact OD1-N 3.1Å; D61-N147 WeakPolarHBondContact OD1-CA 3.39Å; D61-N147 WeakPolarHBondContact OD2-CB 3Å; D61-R148 PolarHBondContact OD1-N 3.3Å; D61-R148 WeakPolarHBondContact OD2-CB 3.21Å; D61-R148 WeakPolarHBondContact OD2-CG 3.31Å; D61-R148 PolarHBondContact OD2-N 2.97Å
62	D	93.4	Very high	94.3	Very high	83 Å²	83	65.2 Å²	65.2	44%	0.444	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.2	179.3	64.8	-58.2	0	0	0	114	K140 R148	D62-K140 PolarHBondContact O-NZ 2.69Å; D62-K140 IonicContact OD2-NZ 3.6Å; D62-K140 PolarHBondContact OD2-NZ 2.93Å; D62-R148 IonicContact OD1-CZ 3.77Å; D62-R148 IonicContact OD1-NE 2.9Å; D62-R148 PolarHBondContact OD1-NE 2.72Å; D62-R148 IonicContact OD1-NH2 2.82Å; D62-R148 PolarHBondContact OD1-NH2 2.71Å; D62-R148 IonicContact OD2-CZ 2.82Å; D62-R148 IonicContact OD2-NE 3.43Å; D62-R148 IonicContact OD2-NH2 3.3Å; D62-R148 PolarHBondContact OD2-NH2 2.95Å
63	Y	93.6	Very high	94.3	Very high	82 Å²	82	59.9 Å²	59.9	32%	0.322	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-25	172.7	-91	-110	0	0	0	112.4	D61 N65 K140 Y145 R148	D61-Y63 PolarHBondContact O-N 3.19Å; D61-Y63 WeakPolarHBondContact OD1-CA 3.24Å; D61-Y63 WeakPolarHBondContact OD1-CB 3.19Å; D61-Y63 PolarHBondContact OD1-N 2.82Å; Y63-N65 PolarHBondContact O-N 3.15Å; Y63-K140 HydrophobicContact CD1-CD 4.22Å; Y63-K140 HydrophobicContact CD1-CG 3.89Å; Y63-K140 HydrophobicContact CD2-CD 4.49Å; Y63-K140 VanDerWaalsContact CD2-NZ 3.31Å; Y63-K140 HydrophobicContact CE1-CD 4.35Å; Y63-K140 HydrophobicContact CE1-CG 3.92Å; Y63-K140 HydrophobicContact CG-CD 4.29Å; Y63-K140 HydrophobicContact CG-CG 4.44Å; Y63-Y145 HydrophobicContact CD1-CD1 4.14Å; Y63-Y145 HydrophobicContact CD1-CD2 4.12Å; Y63-Y145 HydrophobicContact CD1-CE1 4.27Å; Y63-Y145 HydrophobicContact CD1-CE2 4.21Å; Y63-Y145 HydrophobicContact CD1-CG 4.08Å; Y63-Y145 WeakPolarHBondContact O-CB 3.23Å; Y63-R148 HydrophobicContact CD2-CB 4.5Å; Y63-R148 HydrophobicContact CD2-CG 3.35Å; Y63-R148 HydrophobicContact CE2-CG 3.98Å; Y63-R148 HydrophobicContact CG-CG 3.79Å
64	S	95.4	Very high	94.5	Very high	3 Å²	3	60 Å²	60	2%	0.021	33%	0.327	C	S	.	.			trans	-57.5	120.7	-175.5	-55.1	0	0	0	0	113	R45 Q60 D61 Y145 L146	R45-S64 PolarHBondContact NH1-O 3.24Å; Q60-S64 WeakPolarHBondContact CA-OG 3.32Å; Q60-S64 WeakPolarHBondContact CB-OG 3.18Å; D61-S64 PolarHBondContact N-OG 3.21Å; D61-S64 WeakPolarHBondContact O-CB 3.22Å; D61-S64 PolarHBondContact O-N 2.72Å; D61-S64 PolarHBondContact O-OG 3.15Å; D61-S64 PolarHBondContact OD1-N 3.1Å; S64-Y145 WeakPolarHBondContact CA-O 3.15Å; S64-L146 WeakPolarHBondContact CB-O 3.44Å; S64-L146 PolarHBondContact OG-O 3.42Å
65	N	95.2	Very high	94.6	Very high	22 Å²	22	56.7 Å²	56.7	12%	0.118	32%	0.32	C	S	.	.			trans	-140.5	9.4	-179	65.2	3	0	0	0	113.8	Y63 K140 N143 Y144 Y145 R180	Y63-N65 PolarHBondContact O-N 3.15Å; N65-K140 PolarHBondContact ND2-O 2.81Å; N65-N143 PolarHBondContact ND2-O 2.7Å; N65-N143 PolarHBondContact OD1-O 3.48Å; N65-Y144 WeakPolarHBondContact OD1-CA 3.4Å; N65-Y145 PolarHBondContact N-O 2.9Å; N65-Y145 PolarHBondContact OD1-N 2.85Å; N65-Y145 PolarHBondContact OD1-O 2.9Å; N65-R180 PolarHBondContact ND2-NH1 3.04Å
66	L	93.9	Very high	94.9	Very high	23 Å²	23	56.8 Å²	56.8	12%	0.12	29%	0.293	C	S	.	.			trans	-63.4	138.4	177.5	-90.5	165.4	0	0	0	113.1	V70 L71 Y144 L146 L152	L66-V70 HydrophobicContact CD2-CB 4.35Å; L66-V70 HydrophobicContact CD2-CG1 3.92Å; L66-L71 HydrophobicContact CD1-CD2 4.13Å; L66-L71 HydrophobicContact CD2-CD2 4.4Å; L66-L71 HydrophobicContact CD2-CG 4.44Å; L66-Y144 HydrophobicContact CD2-CD1 3.97Å; L66-Y144 HydrophobicContact CD2-CG 4.01Å; L66-L146 HydrophobicContact CD1-CB 4.32Å; L66-L146 HydrophobicContact CD1-CD1 3.83Å; L66-L146 HydrophobicContact CD1-CG 3.54Å; L66-L152 HydrophobicContact CD1-CG 4.43Å; L66-L152 HydrophobicContact CD2-CD1 3.64Å; L66-L152 HydrophobicContact CD2-CG 4.27Å
67	T	92.6	Very high	95	Very high	25 Å²	25	55.9 Å²	55.9	15%	0.153	29%	0.286	C	S	.	.			trans	-99.1	150.1	172.6	71.4	0	0	0	0	110.8	K69 V70 L71 D383	T67-K69 PolarHBondContact O-N 3.38Å; T67-V70 PolarHBondContact O-N 3.11Å; T67-V70 WeakPolarHBondContact OG1-CG2 3.23Å; T67-V70 PolarHBondContact OG1-N 3.04Å; T67-L71 PolarHBondContact O-N 3.32Å; T67-L71 VanDerWaalsContact O-N 3.09Å; T67-D383 HydrophobicContact CG2-CB 4.06Å
68	R	91.9	Very high	95.1	Very high	207 Å²	207	52.8 Å²	52.8	78%	0.781	26%	0.263	S	S	*	.	H	α-helix	trans	-57	-35.9	174.2	-173.4	175.9	-179.3	178.9	1.3	111.9	L71 T72	R68-L71 PolarHBondContact O-N 2.64Å; R68-T72 VanDerWaalsContact O-CG2 3.32Å; R68-T72 WeakPolarHBondContact O-CG2 3.45Å; R68-T72 PolarHBondContact O-N 3.11Å
69	K	90.9	Very high	95.2	Very high	65 Å²	65	51.8 Å²	51.8	28%	0.283	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-46	178.9	-178.6	66.5	174.7	-176.6	0	111.4	T67 T72	T67-K69 PolarHBondContact O-N 3.38Å; K69-T72 PolarHBondContact O-N 3.2Å; K69-T72 PolarHBondContact O-OG1 3.44Å
70	V	94.8	Very high	95.3	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-44	176.8	173.5	0	0	0	0	110.8	L66 T67 T72 R73 Y144 L152 Y178 P189 I190	L66-V70 HydrophobicContact CD2-CB 4.35Å; L66-V70 HydrophobicContact CD2-CG1 3.92Å; T67-V70 PolarHBondContact O-N 3.11Å; T67-V70 WeakPolarHBondContact OG1-CG2 3.23Å; T67-V70 PolarHBondContact OG1-N 3.04Å; V70-T72 VanDerWaalsContact C-N 3.29Å; V70-T72 PolarHBondContact O-N 3.27Å; V70-R73 WeakPolarHBondContact O-CB 3.38Å; V70-R73 PolarHBondContact O-N 3.01Å; V70-Y144 HydrophobicContact CG1-CD2 4.35Å; V70-Y144 HydrophobicContact CG1-CE2 4.33Å; V70-Y144 HydrophobicContact CG1-CG 4.49Å; V70-Y144 HydrophobicContact CG2-CE1 3.96Å; V70-Y144 HydrophobicContact CG2-CE2 4.14Å; V70-L152 HydrophobicContact CG1-CD1 4.01Å; V70-Y178 HydrophobicContact CG1-CD1 3.71Å; V70-Y178 HydrophobicContact CG1-CE1 3.94Å; V70-P189 HydrophobicContact CG2-CB 4.29Å; V70-I190 HydrophobicContact CG1-CD1 4.31Å
71	L	94.3	Very high	95.4	Very high	38 Å²	38	50.2 Å²	50.2	20%	0.199	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-38.4	177.4	-74	171.4	0	0	0	113.2	V51 L53 L66 T67 R68 R73 V74	V51-L71 HydrophobicContact CG1-CD1 3.86Å; V51-L71 HydrophobicContact CG1-CD2 4.27Å; L53-L71 HydrophobicContact CD1-CD2 4.17Å; L53-L71 HydrophobicContact CD2-CD2 3.93Å; L66-L71 HydrophobicContact CD1-CD2 4.13Å; L66-L71 HydrophobicContact CD2-CD2 4.4Å; L66-L71 HydrophobicContact CD2-CG 4.44Å; T67-L71 PolarHBondContact O-N 3.32Å; T67-L71 VanDerWaalsContact O-N 3.09Å; R68-L71 PolarHBondContact O-N 2.64Å; L71-R73 PolarHBondContact O-N 2.78Å; L71-R73 VanDerWaalsContact O-N 3.1Å; L71-V74 PolarHBondContact O-N 3.15Å
72	T	95.2	Very high	95.6	Very high	92 Å²	92	53.9 Å²	53.9	56%	0.564	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-12	178.6	58.6	0	0	0	0	114.6	R68 K69 V70	R68-T72 VanDerWaalsContact O-CG2 3.32Å; R68-T72 WeakPolarHBondContact O-CG2 3.45Å; R68-T72 PolarHBondContact O-N 3.11Å; K69-T72 PolarHBondContact O-N 3.2Å; K69-T72 PolarHBondContact O-OG1 3.44Å; V70-T72 VanDerWaalsContact C-N 3.29Å; V70-T72 PolarHBondContact O-N 3.27Å
73	R	95.2	Very high	95.7	Very high	50 Å²	50	52.6 Å²	52.6	19%	0.189	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-16.4	178.9	-62.2	-62.4	-162.3	-159.4	5.4	112.9	V70 L71 G75 R76 I190 W333 D391	V70-R73 WeakPolarHBondContact O-CB 3.38Å; V70-R73 PolarHBondContact O-N 3.01Å; L71-R73 PolarHBondContact O-N 2.78Å; L71-R73 VanDerWaalsContact O-N 3.1Å; R73-G75 PolarHBondContact O-N 3.34Å; R73-R76 WeakPolarHBondContact O-CB 3.26Å; R73-R76 PolarHBondContact O-N 3.4Å; R73-I190 HydrophobicContact CB-CD1 3.12Å; R73-I190 HydrophobicContact CG-CD1 3.59Å; R73-W333 HydrophobicContact CB-CH2 4.46Å; R73-W333 HydrophobicContact CB-CZ3 4.19Å; R73-W333 HydrophobicContact CG-CZ3 4.27Å; R73-D391 IonicContact NH2-OD2 3.08Å
74	V	97.1	Very high	96	Very high	20 Å²	20	48.8 Å²	48.8	12%	0.121	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	130.3	175.5	178.8	0	0	0	0	109.5	L53 L54 L71 R76 P118 L152 Y178	L53-V74 HydrophobicContact CD1-CB 4.1Å; L53-V74 HydrophobicContact CD1-CG1 3.96Å; L53-V74 HydrophobicContact CD1-CG2 4.37Å; L53-V74 HydrophobicContact CD2-CG1 4.42Å; L53-V74 HydrophobicContact CD2-CG2 4.43Å; L54-V74 HydrophobicContact CD1-CG1 4.36Å; L71-V74 PolarHBondContact O-N 3.15Å; V74-R76 VanDerWaalsContact C-N 3.34Å; V74-P118 HydrophobicContact CG1-CG 3.81Å; V74-L152 HydrophobicContact CG2-CD1 4.15Å; V74-L152 HydrophobicContact CG2-CD2 4.45Å; V74-Y178 WeakPolarHBondContact CA-OH 3.4Å; V74-Y178 HydrophobicContact CG2-CE1 4.12Å; V74-Y178 WeakPolarHBondContact CG2-OH 3.48Å
75	G	96.3	Very high	96.1	Very high	42 Å²	42	48.6 Å²	48.6	43%	0.433	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	0.9	-178	0	0	0	0	0	114.9	R73 N77	R73-G75 PolarHBondContact O-N 3.34Å; G75-N77 PolarHBondContact O-N 3.08Å
76	R	97.3	Very high	96.3	Very high	89 Å²	89	47.6 Å²	47.6	34%	0.336	23%	0.232	S	C	.	.			trans	-65	-30.1	173.8	-174.8	62.4	-175.9	80.2	0.3	112.5	R73 V74 L78 W333	R73-R76 WeakPolarHBondContact O-CB 3.26Å; R73-R76 PolarHBondContact O-N 3.4Å; V74-R76 VanDerWaalsContact C-N 3.34Å; R76-L78 HydrophobicContact CG-CD2 3.79Å; R76-L78 HydrophobicContact CG-CG 4.1Å; R76-L78 PolarHBondContact O-N 2.71Å; R76-W333 HydrophobicContact CB-CZ3 4.23Å; R76-W333 HydrophobicContact CG-CZ3 4.03Å
77	N	98	Very high	96.5	Very high	51 Å²	51	48.2 Å²	48.2	27%	0.273	23%	0.233	S	C	.	.			trans	42.7	57.9	170.2	-59.5	-14.9	0	0	0	113.5	G75 H79 N80 Q81	G75-N77 PolarHBondContact O-N 3.08Å; N77-H79 PolarHBondContact O-N 2.98Å; N77-N80 HydrophobicContact CB-CB 4.28Å; N77-N80 WeakPolarHBondContact O-CA 3.43Å; N77-N80 PolarHBondContact O-N 3.29Å; N77-Q81 PolarHBondContact O-N 2.98Å
78	L	98.6	Very high	96.7	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-60.7	-29.5	-176.5	-64.8	179.3	0	0	0	112.4	R76 N80 Q81 H84 L86 F332 W333	R76-L78 HydrophobicContact CG-CD2 3.79Å; R76-L78 HydrophobicContact CG-CG 4.1Å; R76-L78 PolarHBondContact O-N 2.71Å; L78-N80 PolarHBondContact O-N 2.91Å; L78-Q81 PolarHBondContact O-N 3.5Å; L78-H84 WeakPolarHBondContact O-CB 3.17Å; L78-H84 PolarHBondContact O-ND1 3.16Å; L78-L86 HydrophobicContact CB-CD1 4.11Å; L78-F332 WeakPolarHBondContact CD1-O 3.3Å; L78-W333 HydrophobicContact CD1-CD2 3.8Å; L78-W333 HydrophobicContact CD1-CE3 3.81Å; L78-W333 HydrophobicContact CD1-CG 4.43Å; L78-W333 HydrophobicContact CD1-CH2 4.06Å; L78-W333 HydrophobicContact CD1-CZ2 4.03Å; L78-W333 HydrophobicContact CD1-CZ3 3.94Å; L78-W333 HydrophobicContact CG-CZ3 4.38Å
79	H	98.6	Very high	97	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.7	-16	172.6	63.1	-70.2	0	0	0	114	N77 W87 K90 D114 V174 H192 L316	N77-H79 PolarHBondContact O-N 2.98Å; H79-W87 WeakPolarHBondContact O-CA 3.49Å; H79-W87 WeakPolarHBondContact O-CB 3.41Å; H79-K90 WeakPolarHBondContact O-CD 3.08Å; H79-K90 WeakPolarHBondContact O-CE 3.11Å; H79-K90 PolarHBondContact O-NZ 3.08Å; H79-D114 PolarHBondContact NE2-O 2.92Å; H79-V174 HydrophobicContact CB-CG1 4.01Å; H79-V174 PolarHBondContact NE2-O 3.27Å; H79-H192 AromaticContact CG-CD2 3.92Å; H79-H192 AromaticContact ND1-CD2 3.31Å; H79-H192 PolarHBondContact ND1-CD2 3.4Å; H79-H192 VanDerWaalsContact ND1-CD2 3.31Å; H79-H192 AromaticContact ND1-NE2 3.77Å; H79-L316 HydrophobicContact CB-CD1 4.45Å
80	N	98.6	Very high	97.4	Very high	49 Å²	49	34.4 Å²	34.4	26%	0.262	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-109.3	-0.7	175.6	-67.7	-14.6	0	0	0	113.3	N77 L78 Q82 K90 D114	N77-N80 HydrophobicContact CB-CB 4.28Å; N77-N80 WeakPolarHBondContact O-CA 3.43Å; N77-N80 PolarHBondContact O-N 3.29Å; L78-N80 PolarHBondContact O-N 2.91Å; N80-Q82 PolarHBondContact O-N 3.3Å; N80-K90 PolarHBondContact OD1-NZ 3.49Å; N80-D114 PolarHBondContact ND2-O 3.32Å; N80-D114 PolarHBondContact OD1-OD2 3.37Å
81	Q	98.3	Very high	97.6	Very high	55 Å²	55	36 Å²	36	26%	0.257	18%	0.184	S	C	.	.	S	Bend	trans	-79.8	115.3	174.3	-179.2	-178.9	-44.8	0	0	110.1	N77 L78 H83 H84 W87	N77-Q81 PolarHBondContact O-N 2.98Å; L78-Q81 PolarHBondContact O-N 3.5Å; Q81-H83 PolarHBondContact O-N 3.44Å; Q81-H84 HydrophobicContact CB-CB 4.01Å; Q81-H84 HydrophobicContact CG-CB 4.28Å; Q81-H84 WeakPolarHBondContact O-CB 3.22Å; Q81-H84 PolarHBondContact O-N 3.15Å; Q81-W87 WeakPolarHBondContact O-CB 3.26Å
82	Q	97.8	Very high	97.7	Very high	127 Å²	127	35.1 Å²	35.1	59%	0.593	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	138.2	178.1	-162.9	-177.6	4.3	0	0	111.7	N80 H84 W87	N80-Q82 PolarHBondContact O-N 3.3Å; Q82-H84 PolarHBondContact O-N 2.94Å; Q82-H84 VanDerWaalsContact O-N 3.16Å; Q82-W87 HydrophobicContact CG-CH2 4.09Å; Q82-W87 HydrophobicContact CG-CZ2 4.03Å; Q82-W87 HydrophobicContact CG-CZ3 4.45Å
83	H	97	Very high	97.8	Very high	57 Å²	57	30.7 Å²	30.7	26%	0.264	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	4.5	-176.4	-47.7	-62.9	0	0	0	115.8	Q81 F343 R344	Q81-H83 PolarHBondContact O-N 3.44Å; H83-F343 WeakPolarHBondContact O-CB 3.32Å; H83-R344 HydrophobicContact CB-CG 3.87Å
84	H	98.5	Very high	97.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.149	C	C	.	.			trans	-70.5	141.7	168.2	-167.3	-96.8	0	0	0	109.5	L78 Q81 Q82 L86 W87 L88 F332	L78-H84 WeakPolarHBondContact O-CB 3.17Å; L78-H84 PolarHBondContact O-ND1 3.16Å; Q81-H84 HydrophobicContact CB-CB 4.01Å; Q81-H84 HydrophobicContact CG-CB 4.28Å; Q81-H84 WeakPolarHBondContact O-CB 3.22Å; Q81-H84 PolarHBondContact O-N 3.15Å; Q82-H84 PolarHBondContact O-N 2.94Å; Q82-H84 VanDerWaalsContact O-N 3.16Å; H84-L86 VanDerWaalsContact CE1-CG 3.48Å; H84-L86 WeakPolarHBondContact CE1-CG 3.49Å; H84-L86 WeakPolarHBondContact ND1-CB 3.4Å; H84-L86 PolarHBondContact ND1-N 3.47Å; H84-L86 PolarHBondContact O-N 3.02Å; H84-W87 HydrophobicContact CB-CB 4.17Å; H84-W87 WeakPolarHBondContact O-CA 3.39Å; H84-W87 WeakPolarHBondContact O-CB 3.47Å; H84-W87 PolarHBondContact O-N 3.13Å; H84-L88 PolarHBondContact O-N 3.18Å; H84-F332 AromaticContact CE1-CD1 3.93Å; H84-F332 PolarHBondContact NE2-O 2.78Å
85	P	98.1	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55.6	-36	178.8	19.6	-34.4	0	0	0	113.7	L88 I89 Y324 I326 F332 F339 F343	P85-L88 WeakPolarHBondContact O-CB 3.43Å; P85-L88 PolarHBondContact O-N 3.45Å; P85-I89 PolarHBondContact O-N 2.85Å; P85-I89 VanDerWaalsContact O-N 3.12Å; P85-Y324 HydrophobicContact CB-CD2 4.12Å; P85-Y324 HydrophobicContact CB-CE2 3.94Å; P85-I326 HydrophobicContact CB-CD1 4.5Å; P85-F332 HydrophobicContact CB-CD1 4.49Å; P85-F332 HydrophobicContact CB-CE1 4.05Å; P85-F332 HydrophobicContact CG-CD1 3.62Å; P85-F332 HydrophobicContact CG-CE1 3.64Å; P85-F339 HydrophobicContact CG-CE1 4.28Å; P85-F339 HydrophobicContact CG-CZ 3.98Å; P85-F343 HydrophobicContact CB-CD1 3.81Å; P85-F343 HydrophobicContact CB-CD2 4.36Å; P85-F343 HydrophobicContact CB-CE1 3.83Å; P85-F343 HydrophobicContact CB-CE2 4.38Å; P85-F343 HydrophobicContact CB-CG 4.09Å; P85-F343 HydrophobicContact CB-CZ 4.13Å; P85-F343 HydrophobicContact CG-CD2 4.19Å; P85-F343 HydrophobicContact CG-CE2 4.21Å; P85-F343 HydrophobicContact CG-CG 4.34Å; P85-F343 HydrophobicContact CG-CZ 4.39Å
86	L	98.6	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.8	-36.9	176.1	-53.4	177.8	0	0	0	112.1	L78 H84 K90 H192 L316 E317 A320 F332	L78-L86 HydrophobicContact CB-CD1 4.11Å; H84-L86 VanDerWaalsContact CE1-CG 3.48Å; H84-L86 WeakPolarHBondContact CE1-CG 3.49Å; H84-L86 WeakPolarHBondContact ND1-CB 3.4Å; H84-L86 PolarHBondContact ND1-N 3.47Å; H84-L86 PolarHBondContact O-N 3.02Å; L86-K90 WeakPolarHBondContact O-CB 3.43Å; L86-K90 PolarHBondContact O-N 3.08Å; L86-H192 HydrophobicContact CD1-CB 4.4Å; L86-H192 WeakPolarHBondContact CD1-ND1 3.46Å; L86-L316 HydrophobicContact CD2-CB 3.88Å; L86-E317 HydrophobicContact CD1-CG 4.37Å; L86-E317 WeakPolarHBondContact CD1-OE1 3.34Å; L86-E317 HydrophobicContact CD2-CG 4.02Å; L86-A320 HydrophobicContact CD2-CB 4.18Å; L86-F332 HydrophobicContact CD2-CD1 4.07Å; L86-F332 HydrophobicContact CD2-CE1 3.95Å; L86-F332 HydrophobicContact CD2-CZ 4.36Å; L86-F332 HydrophobicContact CG-CD1 4.11Å; L86-F332 HydrophobicContact CG-CE1 4.42Å
87	W	98.6	Very high	97.6	Very high	37 Å²	37	25.5 Å²	25.5	14%	0.14	12%	0.119	C	C	.	.	H	α-helix	trans	-65.6	-40.4	172.6	169.7	85.7	0	0	0	111.1	H79 Q81 Q82 H84 I89 K90 E91 I348	H79-W87 WeakPolarHBondContact O-CA 3.49Å; H79-W87 WeakPolarHBondContact O-CB 3.41Å; Q81-W87 WeakPolarHBondContact O-CB 3.26Å; Q82-W87 HydrophobicContact CG-CH2 4.09Å; Q82-W87 HydrophobicContact CG-CZ2 4.03Å; Q82-W87 HydrophobicContact CG-CZ3 4.45Å; H84-W87 HydrophobicContact CB-CB 4.17Å; H84-W87 WeakPolarHBondContact O-CA 3.39Å; H84-W87 WeakPolarHBondContact O-CB 3.47Å; H84-W87 PolarHBondContact O-N 3.13Å; W87-I89 PolarHBondContact O-N 3.17Å; W87-K90 WeakPolarHBondContact O-CB 3.27Å; W87-K90 PolarHBondContact O-N 2.97Å; W87-E91 HydrophobicContact CD2-CG 3.97Å; W87-E91 VanDerWaalsContact CE2-CG 3.4Å; W87-E91 HydrophobicContact CG-CG 4.37Å; W87-E91 HydrophobicContact CH2-CG 4.28Å; W87-E91 HydrophobicContact CZ2-CG 3.59Å; W87-E91 PolarHBondContact NE1-OE1 3.19Å; W87-E91 WeakPolarHBondContact O-CG 3.39Å; W87-E91 PolarHBondContact O-N 3.36Å; W87-I348 HydrophobicContact CH2-CG2 4.06Å; W87-I348 HydrophobicContact CZ3-CG2 4.28Å
88	L	98.3	Very high	97.3	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-58.2	-49.2	176.2	-76.2	173	0	0	0	111.4	H84 P85 K90 E91 R92 F343 V345 I348	H84-L88 PolarHBondContact O-N 3.18Å; P85-L88 WeakPolarHBondContact O-CB 3.43Å; P85-L88 PolarHBondContact O-N 3.45Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 3.25Å; L88-E91 PolarHBondContact O-N 3.13Å; L88-R92 VanDerWaalsContact O-CG 3.31Å; L88-R92 WeakPolarHBondContact O-CG 2.96Å; L88-R92 PolarHBondContact O-N 3.49Å; L88-F343 HydrophobicContact CD1-CB 3.85Å; L88-F343 HydrophobicContact CD1-CD1 4.03Å; L88-F343 HydrophobicContact CD1-CG 4.41Å; L88-V345 HydrophobicContact CD1-CG2 4.33Å; L88-V345 HydrophobicContact CD2-CG2 3.76Å; L88-I348 HydrophobicContact CD2-CB 4.3Å; L88-I348 HydrophobicContact CD2-CG2 4.09Å
89	I	98.1	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-45.3	176.8	-65.8	-177.7	0	0	0	110.7	P85 W87 E91 R92 V93 L316 L319 A320 L323 Y324	P85-I89 PolarHBondContact O-N 2.85Å; P85-I89 VanDerWaalsContact O-N 3.12Å; W87-I89 PolarHBondContact O-N 3.17Å; I89-E91 VanDerWaalsContact C-N 3.33Å; I89-E91 PolarHBondContact O-N 3.24Å; I89-R92 PolarHBondContact O-N 3.4Å; I89-V93 HydrophobicContact CG2-CG2 4.09Å; I89-V93 WeakPolarHBondContact O-CG2 3.45Å; I89-V93 PolarHBondContact O-N 3.36Å; I89-L316 HydrophobicContact CB-CD2 4.17Å; I89-L316 HydrophobicContact CG2-CD2 3.56Å; I89-L319 HydrophobicContact CD1-CB 4.25Å; I89-L319 HydrophobicContact CG2-CD2 3.97Å; I89-A320 VanDerWaalsContact CD1-CA 3.48Å; I89-A320 HydrophobicContact CD1-CB 3.53Å; I89-L323 HydrophobicContact CD1-CD2 4.39Å; I89-L323 HydrophobicContact CG1-CD2 4.34Å; I89-Y324 HydrophobicContact CD1-CE2 4.1Å; I89-Y324 HydrophobicContact CG1-CE2 4.06Å
90	K	98.4	Very high	96.2	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.022	18%	0.176	C	C	.	.	H	α-helix	trans	-53.2	-50.5	176.4	-175.5	-169	72.1	165.2	0	111.6	H79 N80 L86 W87 L88 V93 K94 D114 V174	H79-K90 WeakPolarHBondContact O-CD 3.08Å; H79-K90 WeakPolarHBondContact O-CE 3.11Å; H79-K90 PolarHBondContact O-NZ 3.08Å; N80-K90 PolarHBondContact OD1-NZ 3.49Å; L86-K90 WeakPolarHBondContact O-CB 3.43Å; L86-K90 PolarHBondContact O-N 3.08Å; W87-K90 WeakPolarHBondContact O-CB 3.27Å; W87-K90 PolarHBondContact O-N 2.97Å; L88-K90 VanDerWaalsContact C-N 3.34Å; L88-K90 PolarHBondContact O-N 3.25Å; K90-V93 PolarHBondContact O-N 3.19Å; K90-K94 HydrophobicContact CG-CD 4.11Å; K90-K94 VanDerWaalsContact O-CG 3.3Å; K90-K94 WeakPolarHBondContact O-CG 3.49Å; K90-K94 PolarHBondContact O-N 2.57Å; K90-D114 HydrophobicContact CD-CB 4.31Å; K90-D114 IonicContact NZ-OD2 3.5Å; K90-D114 PolarHBondContact NZ-OD2 3.34Å; K90-V174 HydrophobicContact CD-CB 4.11Å; K90-V174 HydrophobicContact CD-CG1 3.83Å; K90-V174 HydrophobicContact CD-CG2 4.12Å; K90-V174 HydrophobicContact CG-CB 4.38Å; K90-V174 HydrophobicContact CG-CG1 3.97Å; K90-V174 HydrophobicContact CG-CG2 3.97Å
91	E	98.2	Very high	95.8	Very high	37 Å²	37	36.9 Å²	36.9	17%	0.173	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-40.2	-178.4	-65.7	-54.3	136.1	0	0	112.4	W87 L88 I89 V93 K94 E95 I348	W87-E91 HydrophobicContact CD2-CG 3.97Å; W87-E91 VanDerWaalsContact CE2-CG 3.4Å; W87-E91 HydrophobicContact CG-CG 4.37Å; W87-E91 HydrophobicContact CH2-CG 4.28Å; W87-E91 HydrophobicContact CZ2-CG 3.59Å; W87-E91 PolarHBondContact NE1-OE1 3.19Å; W87-E91 WeakPolarHBondContact O-CG 3.39Å; W87-E91 PolarHBondContact O-N 3.36Å; L88-E91 PolarHBondContact O-N 3.13Å; I89-E91 VanDerWaalsContact C-N 3.33Å; I89-E91 PolarHBondContact O-N 3.24Å; E91-V93 PolarHBondContact O-N 2.87Å; E91-K94 WeakPolarHBondContact O-CB 3.44Å; E91-K94 PolarHBondContact O-N 3.4Å; E91-K94 IonicContact OE1-NZ 2.79Å; E91-K94 PolarHBondContact OE1-NZ 3.26Å; E91-K94 IonicContact OE2-NZ 3.7Å; E91-K94 PolarHBondContact OE2-NZ 3.11Å; E91-E95 WeakPolarHBondContact O-CB 3.4Å; E91-E95 PolarHBondContact O-N 3.4Å; E91-I348 HydrophobicContact CB-CD1 3.94Å; E91-I348 HydrophobicContact CB-CG2 4.25Å
92	R	97.7	Very high	95.2	Very high	20 Å²	20	39.3 Å²	39.3	8%	0.075	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-39.1	175.5	-65.7	-178.5	82.3	-154.1	-7.3	112.5	L88 I89 E95 H96 H253 L254 I348 D349	L88-R92 VanDerWaalsContact O-CG 3.31Å; L88-R92 WeakPolarHBondContact O-CG 2.96Å; L88-R92 PolarHBondContact O-N 3.49Å; I89-R92 PolarHBondContact O-N 3.4Å; R92-E95 PolarHBondContact O-N 2.9Å; R92-H96 PolarHBondContact O-N 3.49Å; R92-H253 PolarHBondContact NH2-O 2.85Å; R92-L254 HydrophobicContact CB-CD2 3.69Å; R92-L254 PolarHBondContact NH1-O 3.24Å; R92-I348 WeakPolarHBondContact CD-O 3.48Å; R92-I348 HydrophobicContact CG-CB 4.06Å; R92-I348 HydrophobicContact CG-CD1 4.21Å; R92-I348 HydrophobicContact CG-CG1 4.12Å; R92-D349 IonicContact CZ-OD1 2.88Å; R92-D349 VanDerWaalsContact CZ-OD1 3.3Å; R92-D349 IonicContact NE-OD1 3.55Å; R92-D349 PolarHBondContact NE-OD1 2.93Å; R92-D349 IonicContact NH2-OD1 3.32Å; R92-D349 PolarHBondContact NH2-OD1 2.98Å
93	V	97.4	Very high	94.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.9	-43.5	174.5	176.8	0	0	0	0	110.4	I89 K90 E91 E95 H96 F97 L194 L250 L254	I89-V93 HydrophobicContact CG2-CG2 4.09Å; I89-V93 WeakPolarHBondContact O-CG2 3.45Å; I89-V93 PolarHBondContact O-N 3.36Å; K90-V93 PolarHBondContact O-N 3.19Å; E91-V93 PolarHBondContact O-N 2.87Å; V93-E95 PolarHBondContact O-N 3.02Å; V93-H96 WeakPolarHBondContact O-CB 3.4Å; V93-H96 PolarHBondContact O-N 3.47Å; V93-F97 HydrophobicContact CG1-CD2 3.86Å; V93-F97 HydrophobicContact CG1-CE2 3.76Å; V93-F97 VanDerWaalsContact O-CD2 3.28Å; V93-F97 WeakPolarHBondContact O-CD2 3.48Å; V93-F97 PolarHBondContact O-N 2.83Å; V93-F97 VanDerWaalsContact O-N 3.12Å; V93-L194 HydrophobicContact CB-CD1 3.84Å; V93-L194 HydrophobicContact CG1-CD1 3.56Å; V93-L194 HydrophobicContact CG1-CD2 3.95Å; V93-L194 HydrophobicContact CG1-CG 4.45Å; V93-L194 HydrophobicContact CG2-CD1 4.27Å; V93-L250 HydrophobicContact CB-CD1 4.39Å; V93-L250 HydrophobicContact CG1-CD1 4.31Å; V93-L250 HydrophobicContact CG1-CD2 4.27Å; V93-L250 HydrophobicContact CG2-CD1 4.04Å; V93-L250 HydrophobicContact CG2-CD2 4.43Å; V93-L254 HydrophobicContact CG2-CD1 4.32Å
94	K	96.3	Very high	93.5	Very high	35 Å²	35	37.7 Å²	37.7	15%	0.152	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-47.6	175.1	-72.5	165	60.9	-162.7	0	111.4	K90 E91 H96 F97 Y98 V112 L172	K90-K94 HydrophobicContact CG-CD 4.11Å; K90-K94 VanDerWaalsContact O-CG 3.3Å; K90-K94 WeakPolarHBondContact O-CG 3.49Å; K90-K94 PolarHBondContact O-N 2.57Å; E91-K94 WeakPolarHBondContact O-CB 3.44Å; E91-K94 PolarHBondContact O-N 3.4Å; E91-K94 IonicContact OE1-NZ 2.79Å; E91-K94 PolarHBondContact OE1-NZ 3.26Å; E91-K94 IonicContact OE2-NZ 3.7Å; E91-K94 PolarHBondContact OE2-NZ 3.11Å; K94-H96 VanDerWaalsContact C-N 3.33Å; K94-H96 PolarHBondContact O-N 2.92Å; K94-F97 PolarHBondContact O-N 2.86Å; K94-Y98 HydrophobicContact CB-CD2 4.34Å; K94-Y98 HydrophobicContact CB-CE2 4.16Å; K94-Y98 WeakPolarHBondContact O-CD2 3.41Å; K94-Y98 PolarHBondContact O-N 3.17Å; K94-V112 HydrophobicContact CD-CG1 4.24Å; K94-V112 HydrophobicContact CD-CG2 4.41Å; K94-V112 HydrophobicContact CG-CG2 4.1Å; K94-L172 HydrophobicContact CG-CD1 4.25Å
95	E	95.5	Very high	92.4	Very high	50 Å²	50	44.6 Å²	44.6	23%	0.234	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-44	176.8	-173.8	174.6	-114.5	0	0	111.4	E91 R92 V93 F97 Y98 E99 I348	E91-E95 WeakPolarHBondContact O-CB 3.4Å; E91-E95 PolarHBondContact O-N 3.4Å; R92-E95 PolarHBondContact O-N 2.9Å; V93-E95 PolarHBondContact O-N 3.02Å; E95-F97 VanDerWaalsContact C-N 3.35Å; E95-F97 PolarHBondContact O-N 2.66Å; E95-Y98 PolarHBondContact O-N 3.05Å; E95-E99 HydrophobicContact CG-CG 4.23Å; E95-E99 WeakPolarHBondContact O-CB 3.22Å; E95-E99 PolarHBondContact O-N 2.74Å; E95-I348 HydrophobicContact CB-CD1 4.36Å
96	H	94.8	Very high	91.5	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.028	22%	0.223	C	C	.	.	I	π-helix	trans	-55.8	-46.6	174.8	-177.5	77.6	0	0	0	112.7	R92 V93 K94 Q100 Y101 L250	R92-H96 PolarHBondContact O-N 3.49Å; V93-H96 WeakPolarHBondContact O-CB 3.4Å; V93-H96 PolarHBondContact O-N 3.47Å; K94-H96 VanDerWaalsContact C-N 3.33Å; K94-H96 PolarHBondContact O-N 2.92Å; H96-Q100 CarbonylContact O-C 3.49Å; H96-Q100 WeakPolarHBondContact O-CA 3.49Å; H96-Q100 VanDerWaalsContact O-CB 3.3Å; H96-Q100 WeakPolarHBondContact O-CB 3.47Å; H96-Q100 PolarHBondContact O-N 3.19Å; H96-Y101 PolarHBondContact O-N 3.1Å; H96-Y101 VanDerWaalsContact O-N 3.12Å; H96-L250 HydrophobicContact CB-CD1 3.81Å
97	F	94.3	Very high	90.8	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	24%	0.243	C	C	.	.	I	π-helix	trans	-70.5	-32.2	178.6	-80.5	-73.7	0	0	0	113.4	V93 K94 E95 Y101 F110 L172 A196 T246 W310 F312	V93-F97 HydrophobicContact CG1-CD2 3.86Å; V93-F97 HydrophobicContact CG1-CE2 3.76Å; V93-F97 VanDerWaalsContact O-CD2 3.28Å; V93-F97 WeakPolarHBondContact O-CD2 3.48Å; V93-F97 PolarHBondContact O-N 2.83Å; V93-F97 VanDerWaalsContact O-N 3.12Å; K94-F97 PolarHBondContact O-N 2.86Å; E95-F97 VanDerWaalsContact C-N 3.35Å; E95-F97 PolarHBondContact O-N 2.66Å; F97-Y101 HydrophobicContact CD1-CG 4.37Å; F97-F110 HydrophobicContact CB-CB 4.44Å; F97-F110 HydrophobicContact CB-CD2 4.04Å; F97-F110 HydrophobicContact CB-CG 4.24Å; F97-F110 HydrophobicContact CD1-CD1 4.23Å; F97-F110 AromaticContact CD1-CD2 3.77Å; F97-F110 HydrophobicContact CD1-CD2 3.77Å; F97-F110 HydrophobicContact CD1-CE1 4.01Å; F97-F110 AromaticContact CD1-CE2 3.52Å; F97-F110 HydrophobicContact CD1-CE2 3.52Å; F97-F110 HydrophobicContact CD1-CG 4.12Å; F97-F110 AromaticContact CD1-CZ 3.65Å; F97-F110 HydrophobicContact CD1-CZ 3.65Å; F97-F110 HydrophobicContact CE1-CE1 4.07Å; F97-F110 HydrophobicContact CE1-CE2 4.14Å; F97-F110 AromaticContact CE1-CZ 3.8Å; F97-F110 HydrophobicContact CE1-CZ 3.8Å; F97-F110 HydrophobicContact CG-CD2 4.23Å; F97-F110 HydrophobicContact CG-CE2 4.41Å; F97-F110 HydrophobicContact CG-CG 4.32Å; F97-L172 HydrophobicContact CD2-CD1 3.96Å; F97-L172 HydrophobicContact CD2-CD2 4.04Å; F97-L172 HydrophobicContact CE2-CD2 4.06Å; F97-L172 HydrophobicContact CG-CD1 4.48Å; F97-A196 HydrophobicContact CZ-CB 4.38Å; F97-T246 HydrophobicContact CE1-CG2 3.77Å; F97-T246 HydrophobicContact CZ-CG2 3.99Å; F97-W310 HydrophobicContact CE1-CH2 4.12Å; F97-W310 HydrophobicContact CZ-CH2 4.45Å; F97-F312 HydrophobicContact CE2-CE1 4.48Å; F97-F312 AromaticContact CE2-CZ 3.9Å; F97-F312 HydrophobicContact CE2-CZ 3.9Å; F97-F312 AromaticContact CZ-CE1 3.77Å; F97-F312 HydrophobicContact CZ-CE1 3.77Å; F97-F312 AromaticContact CZ-CZ 3.64Å; F97-F312 HydrophobicContact CZ-CZ 3.64Å
98	Y	91.1	Very high	90.3	Very high	104 Å²	104	49.3 Å²	49.3	41%	0.408	24%	0.244	S	C	.	.	I	π-helix	trans	-78.1	-36.2	178.7	-71.3	-46.7	0	0	0	113.7	K94 E95 L109 F110 V112	K94-Y98 HydrophobicContact CB-CD2 4.34Å; K94-Y98 HydrophobicContact CB-CE2 4.16Å; K94-Y98 WeakPolarHBondContact O-CD2 3.41Å; K94-Y98 PolarHBondContact O-N 3.17Å; E95-Y98 PolarHBondContact O-N 3.05Å; Y98-L109 HydrophobicContact CD1-CD1 4.21Å; Y98-L109 HydrophobicContact CE1-CD1 3.74Å; Y98-F110 WeakPolarHBondContact CE1-O 3.08Å; Y98-F110 PolarHBondContact OH-O 3.35Å; Y98-V112 VanDerWaalsContact OH-CG2 3.3Å; Y98-V112 WeakPolarHBondContact OH-CG2 3.49Å
99	E	88	Confident	90	Very high	130 Å²	130	55.3 Å²	55.3	61%	0.607	28%	0.275	S	S	*	.	I	π-helix	trans	-106.1	-32	-171.6	-59.7	-165.8	162.7	0	0	114	E95	E95-E99 HydrophobicContact CG-CG 4.23Å; E95-E99 WeakPolarHBondContact O-CB 3.22Å; E95-E99 PolarHBondContact O-N 2.74Å
100	Q	87.9	Confident	89.9	Confident	102 Å²	102	55.3 Å²	55.3	48%	0.477	28%	0.275	S	S	.	.	I	π-helix	trans	-113.3	-20.4	-166.5	-54.3	-64.1	-32.2	0	0	113.9	H96 V102	H96-Q100 CarbonylContact O-C 3.49Å; H96-Q100 WeakPolarHBondContact O-CA 3.49Å; H96-Q100 VanDerWaalsContact O-CB 3.3Å; H96-Q100 WeakPolarHBondContact O-CB 3.47Å; H96-Q100 PolarHBondContact O-N 3.19Å; Q100-V102 PolarHBondContact O-N 3.24Å
101	Y	90.2	Very high	89.9	Confident	7 Å²	7	56.9 Å²	56.9	3%	0.027	29%	0.287	C	S	.	.			trans	-72.4	126.7	173.5	-174.1	-101.8	0	0	0	109.8	H96 F97 T107 P108 F110 R198 D242 T246 W310	H96-Y101 PolarHBondContact O-N 3.1Å; H96-Y101 VanDerWaalsContact O-N 3.12Å; F97-Y101 HydrophobicContact CD1-CG 4.37Å; Y101-T107 HydrophobicContact CD1-CG2 4.21Å; Y101-T107 WeakPolarHBondContact O-CB 3.44Å; Y101-T107 WeakPolarHBondContact O-CG2 3.36Å; Y101-T107 PolarHBondContact O-OG1 3.38Å; Y101-P108 HydrophobicContact CD1-CG 3.97Å; Y101-P108 VanDerWaalsContact CE1-CD 3.48Å; Y101-P108 HydrophobicContact CE1-CG 3.49Å; Y101-P108 VanDerWaalsContact CE1-CG 3.49Å; Y101-F110 AromaticContact CD1-CE2 3.81Å; Y101-F110 HydrophobicContact CD1-CE2 3.81Å; Y101-F110 HydrophobicContact CE1-CE2 4.07Å; Y101-F110 HydrophobicContact CE1-CZ 4.48Å; Y101-F110 HydrophobicContact CG-CE2 4.28Å; Y101-R198 PolarHBondContact OH-NE 2.72Å; Y101-D242 PolarHBondContact OH-OD1 3.09Å; Y101-D242 PolarHBondContact OH-OD2 3.21Å; Y101-T246 HydrophobicContact CD2-CG2 3.93Å; Y101-T246 HydrophobicContact CE2-CG2 4.18Å; Y101-T246 WeakPolarHBondContact CE2-OG1 3.23Å; Y101-W310 HydrophobicContact CE2-CZ2 4.38Å
102	V	83.8	Confident	89.9	Confident	105 Å²	105	57 Å²	57	64%	0.636	29%	0.29	S	S	*	.			trans	-120.5	106.4	-177.9	-178.1	0	0	0	0	109	Q100	Q100-V102 PolarHBondContact O-N 3.24Å
103	G	81.8	Confident	89.9	Confident	8 Å²	8	59.5 Å²	59.5	8%	0.082	30%	0.3	C	S	.	.			trans	-84.1	156	170.3	0	0	0	0	0	112	F105 G106	G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 2.8Å; G103-G106 CarbonylContact C-O 3.6Å; G103-G106 VanDerWaalsContact CA-O 3.24Å; G103-G106 WeakPolarHBondContact CA-O 3.44Å; G103-G106 PolarHBondContact O-N 3.01Å
104	R	78.5	Confident	90	Very high	143 Å²	143	61.2 Å²	61.2	54%	0.54	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.3	-178.1	-65.4	-179.5	-177.8	-112.5	4.2	113.7	A207	R104-A207 HydrophobicContact CB-CB 3.92Å
105	F	74.6	Confident	90	Very high	146 Å²	146	63.9 Å²	63.9	64%	0.64	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	16.4	177.4	-86.4	-90.3	0	0	0	112.9	G103 H203 E204 A207	G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 2.8Å; F105-H203 WeakPolarHBondContact CE2-O 3.33Å; F105-E204 HydrophobicContact CD2-CB 4.09Å; F105-E204 HydrophobicContact CD2-CG 4.06Å; F105-E204 HydrophobicContact CE2-CB 4.48Å; F105-A207 HydrophobicContact CD2-CB 3.77Å; F105-A207 HydrophobicContact CE2-CB 3.24Å; F105-A207 HydrophobicContact CZ-CB 4.12Å
106	G	80	Confident	90.2	Very high	42 Å²	42	64 Å²	64	43%	0.433	34%	0.335	S	S	.	.	S	Bend	trans	110.1	161.8	-167.5	0	0	0	0	0	111.3	G103 P108	G103-G106 CarbonylContact C-O 3.6Å; G103-G106 VanDerWaalsContact CA-O 3.24Å; G103-G106 WeakPolarHBondContact CA-O 3.44Å; G103-G106 PolarHBondContact O-N 3.01Å; G106-P108 WeakPolarHBondContact O-CD 3.44Å
107	T	83.1	Confident	90.3	Very high	68 Å²	68	66.3 Å²	66.3	42%	0.417	35%	0.351	S	S	.	.			trans	-73.1	116.1	177.3	-58.9	0	0	0	0	109.1	Y101 L109	Y101-T107 HydrophobicContact CD1-CG2 4.21Å; Y101-T107 WeakPolarHBondContact O-CB 3.44Å; Y101-T107 WeakPolarHBondContact O-CG2 3.36Å; Y101-T107 PolarHBondContact O-OG1 3.38Å; T107-L109 PolarHBondContact O-N 3.06Å
108	P	87.6	Confident	90.5	Very high	25 Å²	25	66.5 Å²	66.5	16%	0.162	35%	0.353	C	S	.	.			trans	-61.2	137.6	173.1	26.6	-34.1	0	0	0	109.4	Y101 G106 F110 A170	Y101-P108 HydrophobicContact CD1-CG 3.97Å; Y101-P108 VanDerWaalsContact CE1-CD 3.48Å; Y101-P108 HydrophobicContact CE1-CG 3.49Å; Y101-P108 VanDerWaalsContact CE1-CG 3.49Å; G106-P108 WeakPolarHBondContact O-CD 3.44Å; P108-F110 HydrophobicContact CG-CE2 3.93Å; P108-F110 WeakPolarHBondContact O-CD2 3.39Å; P108-F110 PolarHBondContact O-N 2.82Å; P108-A170 HydrophobicContact CB-CB 3.94Å; P108-A170 HydrophobicContact CG-CB 4.45Å
109	L	92.1	Very high	90.9	Very high	127 Å²	127	62.4 Å²	62.4	67%	0.665	34%	0.338	S	S	*	.			trans	-76	107.3	177.5	-178.1	69.2	0	0	0	109.3	Y98 T107 S111	Y98-L109 HydrophobicContact CD1-CD1 4.21Å; Y98-L109 HydrophobicContact CE1-CD1 3.74Å; T107-L109 PolarHBondContact O-N 3.06Å; L109-S111 PolarHBondContact O-N 3.03Å; L109-S111 VanDerWaalsContact O-N 3.14Å
110	F	96.6	Very high	91.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.31	C	S	.	.			trans	-72.5	105.3	171.8	-76.1	-96.5	0	0	0	110	F97 Y98 Y101 P108 A170 L172 R198 W310	F97-F110 HydrophobicContact CB-CB 4.44Å; F97-F110 HydrophobicContact CB-CD2 4.04Å; F97-F110 HydrophobicContact CB-CG 4.24Å; F97-F110 HydrophobicContact CD1-CD1 4.23Å; F97-F110 AromaticContact CD1-CD2 3.77Å; F97-F110 HydrophobicContact CD1-CD2 3.77Å; F97-F110 HydrophobicContact CD1-CE1 4.01Å; F97-F110 AromaticContact CD1-CE2 3.52Å; F97-F110 HydrophobicContact CD1-CE2 3.52Å; F97-F110 HydrophobicContact CD1-CG 4.12Å; F97-F110 AromaticContact CD1-CZ 3.65Å; F97-F110 HydrophobicContact CD1-CZ 3.65Å; F97-F110 HydrophobicContact CE1-CE1 4.07Å; F97-F110 HydrophobicContact CE1-CE2 4.14Å; F97-F110 AromaticContact CE1-CZ 3.8Å; F97-F110 HydrophobicContact CE1-CZ 3.8Å; F97-F110 HydrophobicContact CG-CD2 4.23Å; F97-F110 HydrophobicContact CG-CE2 4.41Å; F97-F110 HydrophobicContact CG-CG 4.32Å; Y98-F110 WeakPolarHBondContact CE1-O 3.08Å; Y98-F110 PolarHBondContact OH-O 3.35Å; Y101-F110 AromaticContact CD1-CE2 3.81Å; Y101-F110 HydrophobicContact CD1-CE2 3.81Å; Y101-F110 HydrophobicContact CE1-CE2 4.07Å; Y101-F110 HydrophobicContact CE1-CZ 4.48Å; Y101-F110 HydrophobicContact CG-CE2 4.28Å; P108-F110 HydrophobicContact CG-CE2 3.93Å; P108-F110 WeakPolarHBondContact O-CD2 3.39Å; P108-F110 PolarHBondContact O-N 2.82Å; F110-A170 HydrophobicContact CD1-CB 3.97Å; F110-A170 HydrophobicContact CD2-CB 4.3Å; F110-A170 HydrophobicContact CE1-CB 3.96Å; F110-A170 HydrophobicContact CE2-CB 4.3Å; F110-A170 HydrophobicContact CG-CB 4.14Å; F110-A170 HydrophobicContact CZ-CB 4.14Å; F110-L172 HydrophobicContact CB-CG 4.18Å; F110-L172 HydrophobicContact CD1-CD2 3.88Å; F110-L172 HydrophobicContact CD1-CG 4.18Å; F110-L172 HydrophobicContact CE1-CD2 4.49Å; F110-R198 HydrophobicContact CE1-CB 4.36Å; F110-R198 HydrophobicContact CE1-CG 4.46Å; F110-R198 HydrophobicContact CZ-CB 4.22Å; F110-R198 HydrophobicContact CZ-CG 3.89Å; F110-W310 HydrophobicContact CE1-CH2 4.35Å; F110-W310 HydrophobicContact CZ-CH2 4.24Å
111	S	97.8	Very high	91.9	Very high	38 Å²	38	53.4 Å²	53.4	27%	0.266	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133.6	172.3	-64.3	0	0	0	0	109.7	L109 A170 F171 L172	L109-S111 PolarHBondContact O-N 3.03Å; L109-S111 VanDerWaalsContact O-N 3.14Å; S111-A170 PolarHBondContact N-O 3.29Å; S111-F171 CarbonylContact O-C 3.52Å; S111-F171 WeakPolarHBondContact O-CA 3.5Å; S111-F171 WeakPolarHBondContact O-CB 3.48Å; S111-L172 PolarHBondContact O-N 2.77Å
112	V	98.4	Very high	92.3	Very high	39 Å²	39	54.5 Å²	54.5	24%	0.236	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.8	-173.5	-179.5	0	0	0	0	110.5	K94 Y98 D114 L172	K94-V112 HydrophobicContact CD-CG1 4.24Å; K94-V112 HydrophobicContact CD-CG2 4.41Å; K94-V112 HydrophobicContact CG-CG2 4.1Å; Y98-V112 VanDerWaalsContact OH-CG2 3.3Å; Y98-V112 WeakPolarHBondContact OH-CG2 3.49Å; V112-D114 HydrophobicContact CG1-CB 4.35Å; V112-L172 HydrophobicContact CG2-CB 4.28Å; V112-L172 HydrophobicContact CG2-CD1 4.21Å
113	Y	98.7	Very high	93.1	Very high	74 Å²	74	54.7 Å²	54.7	29%	0.29	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	91.3	177	-64.2	-91.1	0	0	0	109.7	L116 L163 L168 F171 L172 V173 V174	Y113-L116 HydrophobicContact CD1-CD2 4.35Å; Y113-L163 HydrophobicContact CD1-CD2 4.11Å; Y113-L163 HydrophobicContact CD2-CD1 3.9Å; Y113-L163 HydrophobicContact CD2-CD2 4.02Å; Y113-L163 HydrophobicContact CE1-CD2 3.91Å; Y113-L163 HydrophobicContact CE2-CD1 4.34Å; Y113-L163 HydrophobicContact CE2-CD2 3.83Å; Y113-L163 HydrophobicContact CG-CD1 4.22Å; Y113-L163 HydrophobicContact CG-CD2 4.17Å; Y113-L168 HydrophobicContact CE2-CD1 3.54Å; Y113-L168 WeakPolarHBondContact OH-CD1 3.18Å; Y113-F171 HydrophobicContact CD2-CB 4.36Å; Y113-F171 HydrophobicContact CE2-CB 4.27Å; Y113-L172 PolarHBondContact N-O 2.86Å; Y113-V173 WeakPolarHBondContact O-CA 3.35Å; Y113-V174 PolarHBondContact O-N 2.93Å
114	D	98.4	Very high	93.9	Very high	35 Å²	35	56.1 Å²	56.1	19%	0.187	30%	0.301	C	S	.	.			trans	-109.2	8.5	-176.8	66.7	8.7	0	0	0	114.2	H79 N80 K90 V112 V174	H79-D114 PolarHBondContact NE2-O 2.92Å; N80-D114 PolarHBondContact ND2-O 3.32Å; N80-D114 PolarHBondContact OD1-OD2 3.37Å; K90-D114 HydrophobicContact CD-CB 4.31Å; K90-D114 IonicContact NZ-OD2 3.5Å; K90-D114 PolarHBondContact NZ-OD2 3.34Å; V112-D114 HydrophobicContact CG1-CB 4.35Å; D114-V174 CarbonylContact C-O 3.53Å; D114-V174 VanDerWaalsContact CA-O 3.24Å; D114-V174 WeakPolarHBondContact CA-O 3.47Å; D114-V174 HydrophobicContact CB-CB 3.93Å; D114-V174 HydrophobicContact CB-CG2 4.45Å
115	S	98	Very high	94.8	Very high	91 Å²	91	49.3 Å²	49.3	64%	0.636	28%	0.275	S	S	*	.			trans	-132.2	18.7	-172.2	-62	0	0	0	0	113.2
116	L	98.3	Very high	96	Very high	54 Å²	54	42.5 Å²	42.5	28%	0.283	25%	0.245	S	C	.	.			trans	-69.5	137	175.9	-61.9	179.5	0	0	0	110.6	Y113 R153 H159 V173	Y113-L116 HydrophobicContact CD1-CD2 4.35Å; L116-R153 PolarHBondContact O-NH1 3.02Å; L116-H159 HydrophobicContact CD1-CB 3.97Å; L116-V173 HydrophobicContact CD1-CG1 4.03Å
117	S	98.2	Very high	96.9	Very high	53 Å²	53	43.5 Å²	43.5	37%	0.371	24%	0.241	S	C	.	.			trans	-54.5	134.3	174.6	177.1	0	0	0	0	110.6	V119 R153	S117-V119 PolarHBondContact O-N 3.4Å; S117-V119 PolarHBondContact OG-N 3.14Å; S117-R153 VanDerWaalsContact C-NH1 3.33Å; S117-R153 PolarHBondContact O-NH1 2.89Å
118	P	98.5	Very high	97.6	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.039	22%	0.222	C	C	.	.	S	Bend	trans	-72.5	-12.1	174.7	30	-34.2	0	0	0	113.2	V74 V120 L152 R153 Y178	V74-P118 HydrophobicContact CG1-CG 3.81Å; P118-V120 PolarHBondContact O-N 3Å; P118-L152 CarbonylContact O-C 3.55Å; P118-L152 WeakPolarHBondContact O-CA 3.47Å; P118-R153 HydrophobicContact CB-CG 4.4Å; P118-R153 PolarHBondContact O-N 3.23Å; P118-Y178 HydrophobicContact CB-CD2 4.21Å; P118-Y178 HydrophobicContact CB-CE2 3.56Å; P118-Y178 HydrophobicContact CG-CE2 4.14Å
119	V	98.7	Very high	98.1	Very high	18 Å²	18	39.3 Å²	39.3	11%	0.109	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	117.7	174.5	-173.3	0	0	0	0	109.4	L53 Y58 S117 L146 H150 M151 L152	L53-V119 HydrophobicContact CD2-CG2 3.55Å; L53-V119 HydrophobicContact CG-CG2 4.34Å; Y58-V119 HydrophobicContact CE1-CG1 4Å; S117-V119 PolarHBondContact O-N 3.4Å; S117-V119 PolarHBondContact OG-N 3.14Å; V119-L146 HydrophobicContact CG1-CD1 4.18Å; V119-L146 HydrophobicContact CG1-CD2 4.3Å; V119-H150 HydrophobicContact CG1-CB 4.39Å; V119-M151 WeakPolarHBondContact CA-O 3.48Å; V119-L152 HydrophobicContact CG2-CD2 3.93Å
120	V	98.8	Very high	98.5	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	159.6	179.2	-62.9	0	0	0	0	110.1	P118 Q124 N125 H150 M151 R153 A158	P118-V120 PolarHBondContact O-N 3Å; V120-Q124 HydrophobicContact CB-CB 4.14Å; V120-N125 HydrophobicContact CG2-CB 3.95Å; V120-H150 WeakPolarHBondContact O-CA 3.48Å; V120-M151 HydrophobicContact CG2-CG 3.99Å; V120-M151 PolarHBondContact N-O 3.41Å; V120-M151 PolarHBondContact O-N 3.48Å; V120-R153 HydrophobicContact CG1-CB 4.1Å; V120-R153 HydrophobicContact CG2-CB 3.71Å; V120-A158 HydrophobicContact CG1-CB 4.44Å; V120-A158 HydrophobicContact CG2-CB 4.49Å
121	T	98.8	Very high	98.6	Very high	41 Å²	41	35.8 Å²	35.8	25%	0.252	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	156.6	168.3	62.6	0	0	0	0	110.7	W123 Q124 N125 T149	T121-W123 PolarHBondContact O-N 3.4Å; T121-Q124 PolarHBondContact O-N 2.97Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.44Å; T121-Q124 PolarHBondContact OG1-N 2.88Å; T121-Q124 VanDerWaalsContact OG1-N 3.14Å; T121-Q124 PolarHBondContact OG1-OE1 3.16Å; T121-N125 PolarHBondContact O-N 3.23Å; T121-N125 VanDerWaalsContact O-N 3.11Å; T121-T149 CarbonylContact C-O 3.52Å; T121-T149 WeakPolarHBondContact CA-O 3.22Å
122	T	98.6	Very high	98.6	Very high	30 Å²	30	36.6 Å²	36.6	18%	0.184	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-28.5	171.3	52.2	0	0	0	0	112.2	F126 Y145 R148 T149 M151	T122-F126 WeakPolarHBondContact O-CB 3.42Å; T122-F126 WeakPolarHBondContact O-CD2 3.2Å; T122-F126 PolarHBondContact O-N 3.35Å; T122-Y145 HydrophobicContact CG2-CD1 4.25Å; T122-Y145 HydrophobicContact CG2-CE1 3.77Å; T122-R148 WeakPolarHBondContact CG2-O 3.36Å; T122-T149 PolarHBondContact N-O 2.97Å; T122-M151 HydrophobicContact CG2-SD 4.3Å
123	W	98.8	Very high	98.5	Very high	109 Å²	109	38.9 Å²	38.9	41%	0.413	22%	0.224	S	C	.	.	H	α-helix	trans	-63.7	-49.4	174	-176.3	89.1	0	0	0	112	T121 N125 F126 D127 S128 W161	T121-W123 PolarHBondContact O-N 3.4Å; W123-N125 PolarHBondContact O-N 2.77Å; W123-F126 PolarHBondContact O-N 3.35Å; W123-D127 WeakPolarHBondContact CA-OD2 3.37Å; W123-D127 HydrophobicContact CB-CB 4.41Å; W123-D127 VanDerWaalsContact CD1-CB 3.45Å; W123-D127 HydrophobicContact CG-CB 4.01Å; W123-D127 PolarHBondContact O-N 3.21Å; W123-S128 PolarHBondContact O-N 2.77Å; W123-S128 PolarHBondContact O-OG 2.93Å; W123-W161 AromaticContact CH2-CD2 3.45Å; W123-W161 HydrophobicContact CH2-CD2 3.45Å; W123-W161 VanDerWaalsContact CH2-CD2 3.45Å; W123-W161 AromaticContact CH2-CE2 3.67Å; W123-W161 AromaticContact CH2-CE3 3.52Å; W123-W161 HydrophobicContact CH2-CE3 3.52Å; W123-W161 AromaticContact CH2-CG 3.97Å; W123-W161 HydrophobicContact CH2-CG 3.97Å; W123-W161 HydrophobicContact CH2-CH2 4.08Å; W123-W161 AromaticContact CH2-CZ2 3.99Å; W123-W161 HydrophobicContact CH2-CZ2 3.99Å; W123-W161 AromaticContact CH2-CZ3 3.84Å; W123-W161 HydrophobicContact CH2-CZ3 3.84Å; W123-W161 HydrophobicContact CZ2-CD2 4.48Å; W123-W161 HydrophobicContact CZ3-CD2 4.05Å; W123-W161 AromaticContact CZ3-CE3 3.78Å; W123-W161 HydrophobicContact CZ3-CE3 3.78Å; W123-W161 HydrophobicContact CZ3-CG 4.49Å; W123-W161 HydrophobicContact CZ3-CZ3 4.21Å
124	Q	98.9	Very high	98.4	Very high	38 Å²	38	42.3 Å²	42.3	18%	0.178	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-43	176.7	-77.1	165.4	-53.6	0	0	112.1	V120 T121 S128 A158 D162	V120-Q124 HydrophobicContact CB-CB 4.14Å; T121-Q124 PolarHBondContact O-N 2.97Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.44Å; T121-Q124 PolarHBondContact OG1-N 2.88Å; T121-Q124 VanDerWaalsContact OG1-N 3.14Å; T121-Q124 PolarHBondContact OG1-OE1 3.16Å; Q124-S128 PolarHBondContact O-OG 3.41Å; Q124-A158 VanDerWaalsContact O-CA 3.3Å; Q124-A158 WeakPolarHBondContact O-CA 3.38Å; Q124-D162 PolarHBondContact NE2-OD2 2.75Å
125	N	98.8	Very high	98.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-75.7	-23.6	-177.2	-160.2	89.9	0	0	0	113	V120 T121 W123 M151 R153 A154 H155 A158	V120-N125 HydrophobicContact CG2-CB 3.95Å; T121-N125 PolarHBondContact O-N 3.23Å; T121-N125 VanDerWaalsContact O-N 3.11Å; W123-N125 PolarHBondContact O-N 2.77Å; N125-M151 HydrophobicContact CB-CE 4.29Å; N125-M151 HydrophobicContact CB-CG 4.4Å; N125-M151 HydrophobicContact CB-SD 3.66Å; N125-R153 WeakPolarHBondContact OD1-CA 3.32Å; N125-A154 PolarHBondContact OD1-N 3.26Å; N125-H155 PolarHBondContact ND2-NE2 3.29Å; N125-H155 PolarHBondContact O-CE1 3.25Å; N125-H155 PolarHBondContact O-NE2 3.21Å; N125-A158 HydrophobicContact CB-CB 4.28Å
126	F	98.8	Very high	98.2	Very high	2 Å²	2	42 Å²	42	1%	0.009	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-58.8	-171.9	-56.6	-66.7	0	0	0	114.5	T122 W123 S128 L129 L130 I131 R138 Y145 M151	T122-F126 WeakPolarHBondContact O-CB 3.42Å; T122-F126 WeakPolarHBondContact O-CD2 3.2Å; T122-F126 PolarHBondContact O-N 3.35Å; W123-F126 PolarHBondContact O-N 3.35Å; F126-S128 PolarHBondContact O-N 3.38Å; F126-L129 CarbonylContact O-C 3.52Å; F126-L129 WeakPolarHBondContact O-CA 3.36Å; F126-L129 PolarHBondContact O-N 3Å; F126-L129 VanDerWaalsContact O-N 3.09Å; F126-L130 PolarHBondContact O-N 3.26Å; F126-I131 HydrophobicContact CB-CB 4.11Å; F126-I131 HydrophobicContact CB-CG2 4.42Å; F126-I131 HydrophobicContact CD1-CB 4.49Å; F126-I131 HydrophobicContact CD1-CD1 3.9Å; F126-I131 HydrophobicContact CD1-CG2 4.18Å; F126-I131 WeakPolarHBondContact O-CB 3.41Å; F126-I131 PolarHBondContact O-N 2.88Å; F126-I131 VanDerWaalsContact O-N 3.09Å; F126-R138 HydrophobicContact CB-CG 4.46Å; F126-R138 VanDerWaalsContact CB-NH2 3.29Å; F126-R138 HydrophobicContact CD1-CG 3.83Å; F126-R138 HydrophobicContact CD2-CG 4.03Å; F126-R138 HydrophobicContact CE1-CG 3.96Å; F126-R138 HydrophobicContact CE2-CG 4.13Å; F126-R138 HydrophobicContact CG-CG 3.87Å; F126-R138 HydrophobicContact CZ-CB 4.45Å; F126-R138 HydrophobicContact CZ-CG 4.1Å; F126-Y145 HydrophobicContact CE2-CE1 4.48Å; F126-Y145 WeakPolarHBondContact CE2-OH 3.26Å; F126-M151 HydrophobicContact CD2-SD 4.12Å; F126-M151 HydrophobicContact CE2-CE 3.92Å; F126-M151 HydrophobicContact CE2-SD 3.34Å; F126-M151 WeakPolarHBondContact CE2-SD 3.47Å; F126-M151 HydrophobicContact CZ-CE 3.81Å; F126-M151 HydrophobicContact CZ-SD 3.9Å
127	D	98.7	Very high	98.1	Very high	64 Å²	64	41.3 Å²	41.3	34%	0.342	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-67.8	-39.3	-169.9	-60.9	-70.6	0	0	0	112.7	W123 L129 L130 R138	W123-D127 WeakPolarHBondContact CA-OD2 3.37Å; W123-D127 HydrophobicContact CB-CB 4.41Å; W123-D127 VanDerWaalsContact CD1-CB 3.45Å; W123-D127 HydrophobicContact CG-CB 4.01Å; W123-D127 PolarHBondContact O-N 3.21Å; D127-L129 PolarHBondContact O-N 2.72Å; D127-L130 PolarHBondContact O-N 3.15Å; D127-R138 IonicContact OD1-CZ 3.45Å; D127-R138 IonicContact OD1-NH1 3.3Å; D127-R138 PolarHBondContact OD1-NH1 3.04Å; D127-R138 IonicContact OD1-NH2 2.69Å; D127-R138 PolarHBondContact OD1-NH2 3.47Å; D127-R138 IonicContact OD2-CZ 3.39Å; D127-R138 IonicContact OD2-NH1 3.39Å; D127-R138 PolarHBondContact OD2-NH1 2.87Å; D127-R138 IonicContact OD2-NH2 3.49Å
128	S	98.7	Very high	98.1	Very high	5 Å²	5	40.4 Å²	40.4	4%	0.035	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-64.7	-18.1	175.1	67.8	0	0	0	0	112.9	W123 Q124 F126	W123-S128 PolarHBondContact O-N 2.77Å; W123-S128 PolarHBondContact O-OG 2.93Å; Q124-S128 PolarHBondContact O-OG 3.41Å; F126-S128 PolarHBondContact O-N 3.38Å
129	L	98.8	Very high	98	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-101.7	16.1	176.9	-60	-178	0	0	0	112.7	F126 D127 I131 H155 Q160 F270 L298	F126-L129 CarbonylContact O-C 3.52Å; F126-L129 WeakPolarHBondContact O-CA 3.36Å; F126-L129 PolarHBondContact O-N 3Å; F126-L129 VanDerWaalsContact O-N 3.09Å; D127-L129 PolarHBondContact O-N 2.72Å; L129-I131 HydrophobicContact CB-CD1 4.24Å; L129-I131 HydrophobicContact CB-CG1 4.07Å; L129-I131 PolarHBondContact O-N 3.27Å; L129-H155 WeakPolarHBondContact CD1-CE1 3.43Å; L129-Q160 HydrophobicContact CD2-CB 4.36Å; L129-F270 HydrophobicContact CB-CB 4.03Å; L129-F270 HydrophobicContact CB-CD1 3.76Å; L129-F270 HydrophobicContact CB-CG 4.11Å; L129-F270 HydrophobicContact CD1-CD1 4.2Å; L129-F270 HydrophobicContact CD1-CE1 4.32Å; L129-F270 HydrophobicContact CD2-CB 4.23Å; L129-F270 HydrophobicContact CD2-CG 4.3Å; L129-F270 HydrophobicContact CG-CD1 4.43Å; L129-F270 WeakPolarHBondContact O-CB 3.46Å; L129-L298 HydrophobicContact CD2-CD1 3.68Å
130	L	98.7	Very high	97.8	Very high	43 Å²	43	48.8 Å²	48.8	23%	0.225	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	17.5	177.5	-43.7	177.7	0	0	0	113.8	F126 D127 P132 E295 Q297 L298	F126-L130 PolarHBondContact O-N 3.26Å; D127-L130 PolarHBondContact O-N 3.15Å; L130-P132 WeakPolarHBondContact O-CD 3.49Å; L130-E295 HydrophobicContact CD1-CB 3.64Å; L130-E295 HydrophobicContact CD1-CG 4.07Å; L130-Q297 HydrophobicContact CD1-CB 3.93Å; L130-Q297 HydrophobicContact CD1-CG 4.27Å; L130-Q297 HydrophobicContact CD2-CB 4.48Å; L130-Q297 HydrophobicContact CD2-CG 3.94Å; L130-L298 HydrophobicContact CD1-CB 4.37Å
131	I	98.6	Very high	97.6	Very high	9 Å²	9	49.5 Å²	49.5	5%	0.046	27%	0.271	C	S	.	.			trans	-68.6	124.6	178.4	-61.6	-177.4	0	0	0	107.4	F126 L129 H135 R138 P269 F270	F126-I131 HydrophobicContact CB-CB 4.11Å; F126-I131 HydrophobicContact CB-CG2 4.42Å; F126-I131 HydrophobicContact CD1-CB 4.49Å; F126-I131 HydrophobicContact CD1-CD1 3.9Å; F126-I131 HydrophobicContact CD1-CG2 4.18Å; F126-I131 WeakPolarHBondContact O-CB 3.41Å; F126-I131 PolarHBondContact O-N 2.88Å; F126-I131 VanDerWaalsContact O-N 3.09Å; L129-I131 HydrophobicContact CB-CD1 4.24Å; L129-I131 HydrophobicContact CB-CG1 4.07Å; L129-I131 PolarHBondContact O-N 3.27Å; I131-H135 HydrophobicContact CG2-CB 3.6Å; I131-R138 HydrophobicContact CG2-CG 4.46Å; I131-R138 PolarHBondContact O-NH2 3Å; I131-P269 HydrophobicContact CG1-CB 4.03Å; I131-P269 HydrophobicContact CG1-CG 4.03Å; I131-F270 HydrophobicContact CD1-CE1 4.38Å; I131-F270 HydrophobicContact CG1-CD1 4.47Å
132	P	98.1	Very high	97.4	Very high	55 Å²	55	50.4 Å²	50.4	36%	0.357	27%	0.274	S	S	.	.			trans	-60.7	153.7	-179.3	-26.9	35.5	0	0	0	113.5	L130 D134 H135 R138	L130-P132 WeakPolarHBondContact O-CD 3.49Å; P132-D134 VanDerWaalsContact C-N 3.26Å; P132-D134 VanDerWaalsContact CB-OD1 3.27Å; P132-D134 WeakPolarHBondContact CB-OD1 3.32Å; P132-D134 PolarHBondContact O-N 3.21Å; P132-H135 HydrophobicContact CB-CB 4.23Å; P132-H135 WeakPolarHBondContact O-CB 3.49Å; P132-H135 PolarHBondContact O-N 3.45Å; P132-H135 VanDerWaalsContact O-N 3.13Å; P132-R138 WeakPolarHBondContact O-CD 3.14Å; P132-R138 PolarHBondContact O-NE 3.33Å
133	A	96.6	Very high	97.4	Very high	88 Å²	88	49.2 Å²	49.2	73%	0.727	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.4	-178.7	0	0	0	0	0	113.5	R138	A133-R138 WeakPolarHBondContact O-CD 3.39Å
134	D	96.3	Very high	97.4	Very high	145 Å²	145	44 Å²	44	78%	0.775	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	3.5	177.1	63.5	-24.5	0	0	0	113.3	P132	P132-D134 VanDerWaalsContact C-N 3.26Å; P132-D134 VanDerWaalsContact CB-OD1 3.27Å; P132-D134 WeakPolarHBondContact CB-OD1 3.32Å; P132-D134 PolarHBondContact O-N 3.21Å
135	H	97.4	Very high	97.3	Very high	52 Å²	52	42.5 Å²	42.5	24%	0.241	24%	0.239	C	C	.	.			trans	-63	135.5	-176.9	-167.6	-92.3	0	0	0	111.3	I131 P132 S137 R138	I131-H135 HydrophobicContact CG2-CB 3.6Å; P132-H135 HydrophobicContact CB-CB 4.23Å; P132-H135 WeakPolarHBondContact O-CB 3.49Å; P132-H135 PolarHBondContact O-N 3.45Å; P132-H135 VanDerWaalsContact O-N 3.13Å; H135-S137 VanDerWaalsContact ND1-CB 3.32Å; H135-S137 WeakPolarHBondContact ND1-CB 3.49Å; H135-S137 PolarHBondContact ND1-N 3.04Å; H135-S137 VanDerWaalsContact ND1-N 3.18Å; H135-S137 PolarHBondContact ND1-OG 3.16Å; H135-S137 PolarHBondContact O-N 3.01Å; H135-S137 VanDerWaalsContact O-N 3.1Å; H135-R138 WeakPolarHBondContact O-CB 3.48Å; H135-R138 PolarHBondContact O-N 3.33Å
136	P	96	Very high	97.3	Very high	67 Å²	67	42.5 Å²	42.5	44%	0.435	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-58.9	-28.9	-176.4	22.3	-34.6	0	0	0	113.4	R138 K139	P136-R138 PolarHBondContact O-N 3.2Å; P136-K139 HydrophobicContact CB-CD 4.43Å; P136-K139 WeakPolarHBondContact O-CB 3.48Å; P136-K139 WeakPolarHBondContact O-CD 3.27Å; P136-K139 WeakPolarHBondContact O-CG 3.47Å; P136-K139 PolarHBondContact O-N 3.43Å
137	S	96.2	Very high	97.2	Very high	40 Å²	40	42.8 Å²	42.8	28%	0.28	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-62.2	-14.3	176.8	71.9	0	0	0	0	114.2	H135 N143	H135-S137 VanDerWaalsContact ND1-CB 3.32Å; H135-S137 WeakPolarHBondContact ND1-CB 3.49Å; H135-S137 PolarHBondContact ND1-N 3.04Å; H135-S137 VanDerWaalsContact ND1-N 3.18Å; H135-S137 PolarHBondContact ND1-OG 3.16Å; H135-S137 PolarHBondContact O-N 3.01Å; H135-S137 VanDerWaalsContact O-N 3.1Å; S137-N143 PolarHBondContact O-ND2 3.26Å
138	R	97.6	Very high	97.1	Very high	35 Å²	35	46.5 Å²	46.5	13%	0.132	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-85.2	-6.5	176.3	-64.5	-175.7	179.6	-117.1	9.9	113.4	F126 D127 I131 P132 A133 H135 P136 K140 Y145	F126-R138 HydrophobicContact CB-CG 4.46Å; F126-R138 VanDerWaalsContact CB-NH2 3.29Å; F126-R138 HydrophobicContact CD1-CG 3.83Å; F126-R138 HydrophobicContact CD2-CG 4.03Å; F126-R138 HydrophobicContact CE1-CG 3.96Å; F126-R138 HydrophobicContact CE2-CG 4.13Å; F126-R138 HydrophobicContact CG-CG 3.87Å; F126-R138 HydrophobicContact CZ-CB 4.45Å; F126-R138 HydrophobicContact CZ-CG 4.1Å; D127-R138 IonicContact OD1-CZ 3.45Å; D127-R138 IonicContact OD1-NH1 3.3Å; D127-R138 PolarHBondContact OD1-NH1 3.04Å; D127-R138 IonicContact OD1-NH2 2.69Å; D127-R138 PolarHBondContact OD1-NH2 3.47Å; D127-R138 IonicContact OD2-CZ 3.39Å; D127-R138 IonicContact OD2-NH1 3.39Å; D127-R138 PolarHBondContact OD2-NH1 2.87Å; D127-R138 IonicContact OD2-NH2 3.49Å; I131-R138 HydrophobicContact CG2-CG 4.46Å; I131-R138 PolarHBondContact O-NH2 3Å; P132-R138 WeakPolarHBondContact O-CD 3.14Å; P132-R138 PolarHBondContact O-NE 3.33Å; A133-R138 WeakPolarHBondContact O-CD 3.39Å; H135-R138 WeakPolarHBondContact O-CB 3.48Å; H135-R138 PolarHBondContact O-N 3.33Å; P136-R138 PolarHBondContact O-N 3.2Å; R138-K140 PolarHBondContact O-N 3.11Å; R138-Y145 PolarHBondContact O-OH 2.78Å
139	K	95.9	Very high	97.1	Very high	123 Å²	123	49.9 Å²	49.9	54%	0.535	27%	0.271	S	S	.	.			trans	-54.6	139.3	-175.5	-76.6	170.4	-177.1	176.9	0	111.9	P136 G141 D142 N143	P136-K139 HydrophobicContact CB-CD 4.43Å; P136-K139 WeakPolarHBondContact O-CB 3.48Å; P136-K139 WeakPolarHBondContact O-CD 3.27Å; P136-K139 WeakPolarHBondContact O-CG 3.47Å; P136-K139 PolarHBondContact O-N 3.43Å; K139-G141 PolarHBondContact O-N 3.32Å; K139-D142 PolarHBondContact O-N 2.9Å; K139-D142 VanDerWaalsContact O-N 3.09Å; K139-N143 PolarHBondContact O-N 2.89Å; K139-N143 PolarHBondContact O-ND2 2.92Å
140	K	94.9	Very high	97.1	Very high	76 Å²	76	52.6 Å²	52.6	33%	0.33	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27	170.5	-61.8	-177.5	-175.1	-173.5	0	112.3	D62 Y63 N65 R138 D142 R180	D62-K140 PolarHBondContact O-NZ 2.69Å; D62-K140 IonicContact OD2-NZ 3.6Å; D62-K140 PolarHBondContact OD2-NZ 2.93Å; Y63-K140 HydrophobicContact CD1-CD 4.22Å; Y63-K140 HydrophobicContact CD1-CG 3.89Å; Y63-K140 HydrophobicContact CD2-CD 4.49Å; Y63-K140 VanDerWaalsContact CD2-NZ 3.31Å; Y63-K140 HydrophobicContact CE1-CD 4.35Å; Y63-K140 HydrophobicContact CE1-CG 3.92Å; Y63-K140 HydrophobicContact CG-CD 4.29Å; Y63-K140 HydrophobicContact CG-CG 4.44Å; N65-K140 PolarHBondContact ND2-O 2.81Å; R138-K140 PolarHBondContact O-N 3.11Å; K140-D142 PolarHBondContact O-N 3.17Å; K140-R180 PolarHBondContact O-NH1 3.45Å
141	G	93.7	Very high	97.1	Very high	18 Å²	18	50.5 Å²	50.5	19%	0.186	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.7	176.3	0	0	0	0	0	113.4	K139 R180 N379	K139-G141 PolarHBondContact O-N 3.32Å; G141-R180 WeakPolarHBondContact O-CB 3.26Å; G141-N379 WeakPolarHBondContact O-CB 3.24Å; G141-N379 PolarHBondContact O-ND2 2.67Å
142	D	95.6	Very high	97.1	Very high	59 Å²	59	50.1 Å²	50.1	32%	0.316	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-11	-163.8	-54	-21.4	0	0	0	112.8	K139 K140 R180	K139-D142 PolarHBondContact O-N 2.9Å; K139-D142 VanDerWaalsContact O-N 3.09Å; K140-D142 PolarHBondContact O-N 3.17Å; D142-R180 PolarHBondContact O-N 3.39Å
143	N	98.3	Very high	97.1	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.027	25%	0.254	C	S	.	.	S	Bend	trans	-128.1	151.5	-174.2	-59.9	-89.2	0	0	0	112.3	N65 S137 K139 Y145 M151 A154 R180	N65-N143 PolarHBondContact ND2-O 2.7Å; N65-N143 PolarHBondContact OD1-O 3.48Å; S137-N143 PolarHBondContact O-ND2 3.26Å; K139-N143 PolarHBondContact O-N 2.89Å; K139-N143 PolarHBondContact O-ND2 2.92Å; N143-Y145 HydrophobicContact CB-CD2 4.04Å; N143-Y145 HydrophobicContact CB-CE2 3.56Å; N143-M151 HydrophobicContact CB-CE 3.92Å; N143-M151 WeakPolarHBondContact OD1-CE 3.48Å; N143-A154 WeakPolarHBondContact OD1-CB 3.33Å; N143-R180 WeakPolarHBondContact O-CD 3.22Å
144	Y	98.3	Very high	97.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.			trans	-94.7	100.1	172.7	-71.2	-69.3	0	0	0	111.8	N65 L66 V70 M151 L152 R179 R180 P189 D383	N65-Y144 WeakPolarHBondContact OD1-CA 3.4Å; L66-Y144 HydrophobicContact CD2-CD1 3.97Å; L66-Y144 HydrophobicContact CD2-CG 4.01Å; V70-Y144 HydrophobicContact CG1-CD2 4.35Å; V70-Y144 HydrophobicContact CG1-CE2 4.33Å; V70-Y144 HydrophobicContact CG1-CG 4.49Å; V70-Y144 HydrophobicContact CG2-CE1 3.96Å; V70-Y144 HydrophobicContact CG2-CE2 4.14Å; Y144-M151 WeakPolarHBondContact O-CA 3.44Å; Y144-M151 WeakPolarHBondContact O-CB 3.29Å; Y144-L152 PolarHBondContact O-N 2.89Å; Y144-R179 WeakPolarHBondContact CE2-O 3.45Å; Y144-R180 HydrophobicContact CD1-CG 3.84Å; Y144-R180 HydrophobicContact CD2-CG 3.96Å; Y144-R180 HydrophobicContact CE1-CG 3.57Å; Y144-R180 HydrophobicContact CE2-CG 3.75Å; Y144-R180 HydrophobicContact CG-CG 4.03Å; Y144-P189 HydrophobicContact CE2-CB 3.98Å; Y144-P189 WeakPolarHBondContact OH-CB 3.43Å; Y144-D383 PolarHBondContact OH-OD1 2.91Å
145	Y	98.2	Very high	97.3	Very high	6 Å²	6	37.7 Å²	37.7	2%	0.024	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-90	130.8	177.3	-70.5	-80.8	0	0	0	111	Y63 S64 N65 T122 F126 R138 N143 M151	Y63-Y145 HydrophobicContact CD1-CD1 4.14Å; Y63-Y145 HydrophobicContact CD1-CD2 4.12Å; Y63-Y145 HydrophobicContact CD1-CE1 4.27Å; Y63-Y145 HydrophobicContact CD1-CE2 4.21Å; Y63-Y145 HydrophobicContact CD1-CG 4.08Å; Y63-Y145 WeakPolarHBondContact O-CB 3.23Å; S64-Y145 WeakPolarHBondContact CA-O 3.15Å; N65-Y145 PolarHBondContact N-O 2.9Å; N65-Y145 PolarHBondContact OD1-N 2.85Å; N65-Y145 PolarHBondContact OD1-O 2.9Å; T122-Y145 HydrophobicContact CG2-CD1 4.25Å; T122-Y145 HydrophobicContact CG2-CE1 3.77Å; F126-Y145 HydrophobicContact CE2-CE1 4.48Å; F126-Y145 WeakPolarHBondContact CE2-OH 3.26Å; R138-Y145 PolarHBondContact O-OH 2.78Å; N143-Y145 HydrophobicContact CB-CD2 4.04Å; N143-Y145 HydrophobicContact CB-CE2 3.56Å; Y145-M151 HydrophobicContact CD1-CB 3.81Å; Y145-M151 HydrophobicContact CE1-CB 4.18Å; Y145-M151 HydrophobicContact CE1-SD 3.94Å; Y145-M151 HydrophobicContact CG-CB 4.45Å
146	L	97.2	Very high	97.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.177	C	C	.	.	S	Bend	trans	-72	-44.9	164.2	-71.5	86.2	0	0	0	109	L53 Y58 S64 L66 V119 H150 M151 L152	L53-L146 HydrophobicContact CD2-CD2 4.38Å; Y58-L146 HydrophobicContact CD1-CD2 3.73Å; Y58-L146 HydrophobicContact CD2-CD2 3.28Å; Y58-L146 HydrophobicContact CE1-CD2 4.06Å; Y58-L146 HydrophobicContact CE2-CD2 3.65Å; Y58-L146 HydrophobicContact CG-CB 4.38Å; Y58-L146 HydrophobicContact CG-CD2 3.32Å; Y58-L146 HydrophobicContact CG-CG 4.46Å; S64-L146 WeakPolarHBondContact CB-O 3.44Å; S64-L146 PolarHBondContact OG-O 3.42Å; L66-L146 HydrophobicContact CD1-CB 4.32Å; L66-L146 HydrophobicContact CD1-CD1 3.83Å; L66-L146 HydrophobicContact CD1-CG 3.54Å; V119-L146 HydrophobicContact CG1-CD1 4.18Å; V119-L146 HydrophobicContact CG1-CD2 4.3Å; L146-H150 HydrophobicContact CB-CB 4.22Å; L146-H150 WeakPolarHBondContact CB-O 3.13Å; L146-H150 HydrophobicContact CD1-CB 4.5Å; L146-H150 PolarHBondContact N-O 2.59Å; L146-M151 VanDerWaalsContact CD1-C 3.44Å; L146-L152 HydrophobicContact CD1-CD2 4.15Å; L146-L152 HydrophobicContact CD1-CG 4.29Å
147	N	97.4	Very high	97.5	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.043	16%	0.159	C	C	.	.	S	Bend	trans	-161.7	-170.4	174.1	58.8	40.2	0	0	0	109.5	P59 D61 T149 H150	P59-N147 VanDerWaalsContact O-CB 3.29Å; P59-N147 WeakPolarHBondContact O-CB 3.03Å; P59-N147 PolarHBondContact O-ND2 3.1Å; P59-N147 VanDerWaalsContact O-ND2 3.14Å; D61-N147 WeakPolarHBondContact OD1-CA 3.39Å; D61-N147 WeakPolarHBondContact OD2-CB 3Å; N147-T149 PolarHBondContact O-N 2.82Å; N147-T149 VanDerWaalsContact O-N 3.1Å; N147-T149 PolarHBondContact OD1-N 3.09Å; N147-T149 PolarHBondContact OD1-OG1 3.33Å; N147-H150 PolarHBondContact N-O 3.1Å; N147-H150 VanDerWaalsContact N-O 3.15Å; N147-H150 PolarHBondContact OD1-N 3.35Å
148	R	97.1	Very high	97.7	Very high	142 Å²	142	30.5 Å²	30.5	54%	0.536	15%	0.146	S	C	.	.	S	Bend	trans	-56.4	-25	178.5	-78.9	171.2	179.8	-155.6	-3.2	115	D61 D62 Y63 T122	D61-R148 PolarHBondContact OD1-N 3.3Å; D61-R148 WeakPolarHBondContact OD2-CB 3.21Å; D61-R148 WeakPolarHBondContact OD2-CG 3.31Å; D61-R148 PolarHBondContact OD2-N 2.97Å; D62-R148 IonicContact OD1-CZ 3.77Å; D62-R148 IonicContact OD1-NE 2.9Å; D62-R148 PolarHBondContact OD1-NE 2.72Å; D62-R148 IonicContact OD1-NH2 2.82Å; D62-R148 PolarHBondContact OD1-NH2 2.71Å; D62-R148 IonicContact OD2-CZ 2.82Å; D62-R148 IonicContact OD2-NE 3.43Å; D62-R148 IonicContact OD2-NH2 3.3Å; D62-R148 PolarHBondContact OD2-NH2 2.95Å; Y63-R148 HydrophobicContact CD2-CB 4.5Å; Y63-R148 HydrophobicContact CD2-CG 3.35Å; Y63-R148 HydrophobicContact CE2-CG 3.98Å; Y63-R148 HydrophobicContact CG-CG 3.79Å; T122-R148 WeakPolarHBondContact CG2-O 3.36Å
149	T	97.9	Very high	97.7	Very high	76 Å²	76	29.4 Å²	29.4	47%	0.466	14%	0.142	S	C	.	.	S	Bend	trans	-105.7	-27	-171.5	62.4	0	0	0	0	113.3	T121 T122 N147	T121-T149 CarbonylContact C-O 3.52Å; T121-T149 WeakPolarHBondContact CA-O 3.22Å; T122-T149 PolarHBondContact N-O 2.97Å; N147-T149 PolarHBondContact O-N 2.82Å; N147-T149 VanDerWaalsContact O-N 3.1Å; N147-T149 PolarHBondContact OD1-N 3.09Å; N147-T149 PolarHBondContact OD1-OG1 3.33Å
150	H	98.6	Very high	97.9	Very high	56 Å²	56	23.6 Å²	23.6	26%	0.259	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.8	-174.7	-69.5	77.9	0	0	0	111.8	Y58 V119 V120 L146 N147	Y58-H150 HydrophobicContact CD1-CB 4.18Å; Y58-H150 HydrophobicContact CE1-CB 4.24Å; Y58-H150 AromaticContact CE1-CD2 3.84Å; Y58-H150 AromaticContact CE1-CG 3.96Å; V119-H150 HydrophobicContact CG1-CB 4.39Å; V120-H150 WeakPolarHBondContact O-CA 3.48Å; L146-H150 HydrophobicContact CB-CB 4.22Å; L146-H150 WeakPolarHBondContact CB-O 3.13Å; L146-H150 HydrophobicContact CD1-CB 4.5Å; L146-H150 PolarHBondContact N-O 2.59Å; N147-H150 PolarHBondContact N-O 3.1Å; N147-H150 VanDerWaalsContact N-O 3.15Å; N147-H150 PolarHBondContact OD1-N 3.35Å
151	M	98.7	Very high	98	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	165.4	178.8	62.1	-175.7	-72.3	0	0	111	V119 V120 T122 N125 F126 N143 Y144 Y145 L146 A154	V119-M151 WeakPolarHBondContact CA-O 3.48Å; V120-M151 HydrophobicContact CG2-CG 3.99Å; V120-M151 PolarHBondContact N-O 3.41Å; V120-M151 PolarHBondContact O-N 3.48Å; T122-M151 HydrophobicContact CG2-SD 4.3Å; N125-M151 HydrophobicContact CB-CE 4.29Å; N125-M151 HydrophobicContact CB-CG 4.4Å; N125-M151 HydrophobicContact CB-SD 3.66Å; F126-M151 HydrophobicContact CD2-SD 4.12Å; F126-M151 HydrophobicContact CE2-CE 3.92Å; F126-M151 HydrophobicContact CE2-SD 3.34Å; F126-M151 WeakPolarHBondContact CE2-SD 3.47Å; F126-M151 HydrophobicContact CZ-CE 3.81Å; F126-M151 HydrophobicContact CZ-SD 3.9Å; N143-M151 HydrophobicContact CB-CE 3.92Å; N143-M151 WeakPolarHBondContact OD1-CE 3.48Å; Y144-M151 WeakPolarHBondContact O-CA 3.44Å; Y144-M151 WeakPolarHBondContact O-CB 3.29Å; Y145-M151 HydrophobicContact CD1-CB 3.81Å; Y145-M151 HydrophobicContact CE1-CB 4.18Å; Y145-M151 HydrophobicContact CE1-SD 3.94Å; Y145-M151 HydrophobicContact CG-CB 4.45Å; L146-M151 VanDerWaalsContact CD1-C 3.44Å; M151-A154 HydrophobicContact CE-CB 4.23Å
152	L	98.8	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.3	160.1	-59.7	-176	0	0	0	108	L53 L66 V70 V74 P118 V119 Y144 L146 A154 Y178	L53-L152 HydrophobicContact CD2-CD2 4.1Å; L66-L152 HydrophobicContact CD1-CG 4.43Å; L66-L152 HydrophobicContact CD2-CD1 3.64Å; L66-L152 HydrophobicContact CD2-CG 4.27Å; V70-L152 HydrophobicContact CG1-CD1 4.01Å; V74-L152 HydrophobicContact CG2-CD1 4.15Å; V74-L152 HydrophobicContact CG2-CD2 4.45Å; P118-L152 CarbonylContact O-C 3.55Å; P118-L152 WeakPolarHBondContact O-CA 3.47Å; V119-L152 HydrophobicContact CG2-CD2 3.93Å; Y144-L152 PolarHBondContact O-N 2.89Å; L146-L152 HydrophobicContact CD1-CD2 4.15Å; L146-L152 HydrophobicContact CD1-CG 4.29Å; L152-A154 PolarHBondContact O-N 3.14Å; L152-Y178 HydrophobicContact CB-CD1 4.17Å; L152-Y178 HydrophobicContact CB-CD2 3.69Å; L152-Y178 HydrophobicContact CB-CE2 4.42Å; L152-Y178 HydrophobicContact CB-CG 3.57Å; L152-Y178 HydrophobicContact CD1-CD1 3.38Å; L152-Y178 HydrophobicContact CD1-CD2 4.19Å; L152-Y178 HydrophobicContact CD1-CE1 3.59Å; L152-Y178 HydrophobicContact CD1-CE2 4.4Å; L152-Y178 HydrophobicContact CD1-CG 3.7Å; L152-Y178 HydrophobicContact CG-CD1 4.4Å; L152-Y178 HydrophobicContact CG-CD2 4.46Å; L152-Y178 HydrophobicContact CG-CG 4.26Å
153	R	98.8	Very high	98.4	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.008	10%	0.101	C	C	.	.			trans	-54.7	133.6	-175.7	65	-177.8	176	-124	-12.7	111.5	L116 S117 P118 V120 N125 A158 H159 D176 V177 Y178	L116-R153 PolarHBondContact O-NH1 3.02Å; S117-R153 VanDerWaalsContact C-NH1 3.33Å; S117-R153 PolarHBondContact O-NH1 2.89Å; P118-R153 HydrophobicContact CB-CG 4.4Å; P118-R153 PolarHBondContact O-N 3.23Å; V120-R153 HydrophobicContact CG1-CB 4.1Å; V120-R153 HydrophobicContact CG2-CB 3.71Å; N125-R153 WeakPolarHBondContact OD1-CA 3.32Å; R153-A158 HydrophobicContact CB-CB 4.24Å; R153-H159 WeakPolarHBondContact CD-NE2 3.39Å; R153-H159 PolarHBondContact NH1-NE2 3.1Å; R153-H159 VanDerWaalsContact NH1-NE2 3.1Å; R153-D176 PolarHBondContact NE-O 2.9Å; R153-D176 PolarHBondContact NH2-O 3.35Å; R153-D176 IonicContact NH2-OD1 2.82Å; R153-D176 PolarHBondContact NH2-OD1 3.3Å; R153-V177 HydrophobicContact CG-CG1 4.23Å; R153-V177 WeakPolarHBondContact O-CA 3.47Å; R153-Y178 PolarHBondContact O-N 2.78Å
154	A	98.7	Very high	98.5	Very high	4 Å²	4	21.3 Å²	21.3	3%	0.033	10%	0.101	C	C	.	.	S	Bend	trans	-87.1	-12.7	177.7	0	0	0	0	0	112.6	N125 N143 M151 L152 R179	N125-A154 PolarHBondContact OD1-N 3.26Å; N143-A154 WeakPolarHBondContact OD1-CB 3.33Å; M151-A154 HydrophobicContact CE-CB 4.23Å; L152-A154 PolarHBondContact O-N 3.14Å; A154-R179 HydrophobicContact CB-CG 4.42Å; A154-R179 PolarHBondContact O-NE 2.98Å; A154-R179 PolarHBondContact O-NH2 3.22Å
155	H	98.8	Very high	98.5	Very high	22 Å²	22	26.7 Å²	26.7	10%	0.102	13%	0.125	C	C	.	.	S	Bend	trans	-159.2	155.9	176.5	44.4	72	0	0	0	111.6	N125 L129 S157 A158 Q193	N125-H155 PolarHBondContact ND2-NE2 3.29Å; N125-H155 PolarHBondContact O-CE1 3.25Å; N125-H155 PolarHBondContact O-NE2 3.21Å; L129-H155 WeakPolarHBondContact CD1-CE1 3.43Å; H155-S157 PolarHBondContact O-N 2.79Å; H155-A158 PolarHBondContact ND1-N 2.81Å; H155-A158 WeakPolarHBondContact O-CB 3.44Å; H155-A158 PolarHBondContact O-N 2.79Å; H155-Q193 VanDerWaalsContact CB-OE1 3.26Å
156	T	98.8	Very high	98.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-67.3	-19.9	175.8	38.1	0	0	0	0	113.4	A158 H159 V173 V177 Q193 E195	T156-A158 PolarHBondContact O-N 2.52Å; T156-H159 PolarHBondContact O-N 2.81Å; T156-H159 VanDerWaalsContact O-N 3.11Å; T156-V173 HydrophobicContact CG2-CG1 4.13Å; T156-V177 HydrophobicContact CG2-CG1 4.11Å; T156-Q193 HydrophobicContact CG2-CB 3.87Å; T156-Q193 VanDerWaalsContact OG1-CB 3.31Å; T156-Q193 WeakPolarHBondContact OG1-CB 3.41Å; T156-Q193 PolarHBondContact OG1-OE1 3.44Å; T156-E195 PolarHBondContact OG1-OE2 3.42Å
157	S	98.8	Very high	98.5	Very high	8 Å²	8	32.6 Å²	32.6	6%	0.056	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-57.9	-18.8	175	-37.4	0	0	0	0	113.4	H155 H159 Q160 E195	H155-S157 PolarHBondContact O-N 2.79Å; S157-H159 PolarHBondContact O-N 3.05Å; S157-Q160 WeakPolarHBondContact O-CB 3.28Å; S157-Q160 WeakPolarHBondContact O-CG 3.37Å; S157-Q160 PolarHBondContact O-N 2.58Å; S157-E195 WeakPolarHBondContact CA-OE1 3.24Å; S157-E195 VanDerWaalsContact CB-OE1 3.24Å; S157-E195 WeakPolarHBondContact CB-OE1 3.41Å; S157-E195 PolarHBondContact N-OE2 2.93Å; S157-E195 VanDerWaalsContact OG-CD 3.26Å; S157-E195 PolarHBondContact OG-OE1 3.08Å; S157-E195 PolarHBondContact OG-OE2 3.03Å
158	A	98.8	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-58.1	-15.2	175.2	0	0	0	0	0	113.9	V120 Q124 N125 R153 H155 T156	V120-A158 HydrophobicContact CG1-CB 4.44Å; V120-A158 HydrophobicContact CG2-CB 4.49Å; Q124-A158 VanDerWaalsContact O-CA 3.3Å; Q124-A158 WeakPolarHBondContact O-CA 3.38Å; N125-A158 HydrophobicContact CB-CB 4.28Å; R153-A158 HydrophobicContact CB-CB 4.24Å; H155-A158 PolarHBondContact ND1-N 2.81Å; H155-A158 WeakPolarHBondContact O-CB 3.44Å; H155-A158 PolarHBondContact O-N 2.79Å; T156-A158 PolarHBondContact O-N 2.52Å
159	H	98.9	Very high	98.6	Very high	11 Å²	11	30 Å²	30	5%	0.051	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-104.1	0.2	178.7	-59.1	-59.8	0	0	0	113.7	L116 R153 T156 S157 L163 V173	L116-H159 HydrophobicContact CD1-CB 3.97Å; R153-H159 WeakPolarHBondContact CD-NE2 3.39Å; R153-H159 PolarHBondContact NH1-NE2 3.1Å; R153-H159 VanDerWaalsContact NH1-NE2 3.1Å; T156-H159 PolarHBondContact O-N 2.81Å; T156-H159 VanDerWaalsContact O-N 3.11Å; S157-H159 PolarHBondContact O-N 3.05Å; H159-L163 HydrophobicContact CB-CD1 4.4Å; H159-L163 WeakPolarHBondContact O-CB 3.37Å; H159-L163 WeakPolarHBondContact O-CG 3.48Å; H159-L163 PolarHBondContact O-N 3.16Å; H159-V173 HydrophobicContact CB-CG1 4.33Å; H159-V173 HydrophobicContact CB-CG2 4.34Å
160	Q	98.8	Very high	98.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-51.6	-179.5	-72.3	-175.4	11.3	0	0	111.2	L129 S157 D162 L163 L164 E195 V197 M294	L129-Q160 HydrophobicContact CD2-CB 4.36Å; S157-Q160 WeakPolarHBondContact O-CB 3.28Å; S157-Q160 WeakPolarHBondContact O-CG 3.37Å; S157-Q160 PolarHBondContact O-N 2.58Å; Q160-D162 PolarHBondContact O-N 2.91Å; Q160-L163 PolarHBondContact O-N 3.13Å; Q160-L164 WeakPolarHBondContact O-CB 3.49Å; Q160-L164 WeakPolarHBondContact O-CG 3.34Å; Q160-L164 PolarHBondContact O-N 3.37Å; Q160-E195 HydrophobicContact CG-CG 4.47Å; Q160-E195 PolarHBondContact NE2-OE1 2.91Å; Q160-V197 HydrophobicContact CG-CG2 3.88Å; Q160-M294 VanDerWaalsContact OE1-CE 3.27Å
161	W	98.8	Very high	98.6	Very high	39 Å²	39	24 Å²	24	15%	0.148	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-46.1	-174.9	-170.6	97.8	0	0	0	112.2	W123 L163 L164 H165 S301 A302	W123-W161 AromaticContact CH2-CD2 3.45Å; W123-W161 HydrophobicContact CH2-CD2 3.45Å; W123-W161 VanDerWaalsContact CH2-CD2 3.45Å; W123-W161 AromaticContact CH2-CE2 3.67Å; W123-W161 AromaticContact CH2-CE3 3.52Å; W123-W161 HydrophobicContact CH2-CE3 3.52Å; W123-W161 AromaticContact CH2-CG 3.97Å; W123-W161 HydrophobicContact CH2-CG 3.97Å; W123-W161 HydrophobicContact CH2-CH2 4.08Å; W123-W161 AromaticContact CH2-CZ2 3.99Å; W123-W161 HydrophobicContact CH2-CZ2 3.99Å; W123-W161 AromaticContact CH2-CZ3 3.84Å; W123-W161 HydrophobicContact CH2-CZ3 3.84Å; W123-W161 HydrophobicContact CZ2-CD2 4.48Å; W123-W161 HydrophobicContact CZ3-CD2 4.05Å; W123-W161 AromaticContact CZ3-CE3 3.78Å; W123-W161 HydrophobicContact CZ3-CE3 3.78Å; W123-W161 HydrophobicContact CZ3-CG 4.49Å; W123-W161 HydrophobicContact CZ3-CZ3 4.21Å; W161-L163 VanDerWaalsContact C-N 3.33Å; W161-L163 PolarHBondContact O-N 2.75Å; W161-L164 PolarHBondContact O-N 2.77Å; W161-H165 HydrophobicContact CD2-CB 4.4Å; W161-H165 HydrophobicContact CE3-CB 3.96Å; W161-H165 HydrophobicContact CH2-CB 3.98Å; W161-H165 AromaticContact CH2-CD2 3.77Å; W161-H165 AromaticContact CH2-CG 3.57Å; W161-H165 AromaticContact CH2-ND1 3.81Å; W161-H165 HydrophobicContact CZ2-CB 4.42Å; W161-H165 HydrophobicContact CZ3-CB 3.74Å; W161-H165 AromaticContact CZ3-CD2 3.83Å; W161-H165 AromaticContact CZ3-CG 3.71Å; W161-H165 WeakPolarHBondContact O-CB 3.43Å; W161-H165 PolarHBondContact O-N 2.81Å; W161-S301 PolarHBondContact NE1-OG 3.44Å; W161-A302 HydrophobicContact CG-CB 4.44Å
162	D	98.8	Very high	98.6	Very high	52 Å²	52	24 Å²	24	28%	0.278	15%	0.146	S	C	.	.	H	α-helix	trans	-61.7	-41.2	-178.8	-66.3	-35.5	0	0	0	112.2	Q124 Q160 H165 A166	Q124-D162 PolarHBondContact NE2-OD2 2.75Å; Q160-D162 PolarHBondContact O-N 2.91Å; D162-H165 PolarHBondContact O-N 3.43Å; D162-A166 PolarHBondContact O-N 3.05Å
163	L	98.8	Very high	98.6	Very high	15 Å²	15	24.1 Å²	24.1	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-75.4	-36.1	-179	-69.2	178.5	0	0	0	112.4	Y113 H159 Q160 W161 H165 A166 L168 F171 V173	Y113-L163 HydrophobicContact CD1-CD2 4.11Å; Y113-L163 HydrophobicContact CD2-CD1 3.9Å; Y113-L163 HydrophobicContact CD2-CD2 4.02Å; Y113-L163 HydrophobicContact CE1-CD2 3.91Å; Y113-L163 HydrophobicContact CE2-CD1 4.34Å; Y113-L163 HydrophobicContact CE2-CD2 3.83Å; Y113-L163 HydrophobicContact CG-CD1 4.22Å; Y113-L163 HydrophobicContact CG-CD2 4.17Å; H159-L163 HydrophobicContact CB-CD1 4.4Å; H159-L163 WeakPolarHBondContact O-CB 3.37Å; H159-L163 WeakPolarHBondContact O-CG 3.48Å; H159-L163 PolarHBondContact O-N 3.16Å; Q160-L163 PolarHBondContact O-N 3.13Å; W161-L163 VanDerWaalsContact C-N 3.33Å; W161-L163 PolarHBondContact O-N 2.75Å; L163-H165 VanDerWaalsContact C-N 3.33Å; L163-A166 PolarHBondContact O-N 2.72Å; L163-L168 HydrophobicContact CB-CD1 4.16Å; L163-L168 HydrophobicContact CD2-CD1 4Å; L163-L168 WeakPolarHBondContact O-CB 3.39Å; L163-L168 WeakPolarHBondContact O-CG 3.3Å; L163-L168 PolarHBondContact O-N 2.77Å; L163-F171 HydrophobicContact CB-CD1 4.11Å; L163-F171 HydrophobicContact CB-CD2 4.14Å; L163-F171 HydrophobicContact CB-CE1 3.78Å; L163-F171 HydrophobicContact CB-CE2 3.81Å; L163-F171 HydrophobicContact CB-CG 4.27Å; L163-F171 HydrophobicContact CB-CZ 3.6Å; L163-F171 HydrophobicContact CD1-CD2 3.47Å; L163-F171 VanDerWaalsContact CD1-CD2 3.47Å; L163-F171 HydrophobicContact CD1-CE2 3.58Å; L163-F171 HydrophobicContact CD1-CG 4.09Å; L163-F171 HydrophobicContact CD1-CZ 4.28Å; L163-F171 HydrophobicContact CG-CD2 4.46Å; L163-F171 HydrophobicContact CG-CE2 4.35Å; L163-V173 HydrophobicContact CD1-CG2 3.39Å
164	L	98.8	Very high	98.6	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-42.1	168.8	-73.2	174.9	0	0	0	111.3	Q160 W161 A166 G167 F171 V197 L199 M294 L298 A302	Q160-L164 WeakPolarHBondContact O-CB 3.49Å; Q160-L164 WeakPolarHBondContact O-CG 3.34Å; Q160-L164 PolarHBondContact O-N 3.37Å; W161-L164 PolarHBondContact O-N 2.77Å; L164-A166 PolarHBondContact O-N 2.92Å; L164-G167 WeakPolarHBondContact O-CA 3.31Å; L164-G167 PolarHBondContact O-N 3.31Å; L164-F171 HydrophobicContact CD2-CE1 4Å; L164-F171 HydrophobicContact CD2-CZ 4.49Å; L164-F171 HydrophobicContact CG-CE1 4.13Å; L164-F171 HydrophobicContact CG-CZ 4.22Å; L164-V197 HydrophobicContact CD2-CG1 4.03Å; L164-L199 HydrophobicContact CD2-CD1 3.52Å; L164-L199 HydrophobicContact CD2-CD2 4.04Å; L164-L199 HydrophobicContact CD2-CG 3.83Å; L164-M294 HydrophobicContact CD1-CE 3.74Å; L164-L298 HydrophobicContact CD1-CD2 3.48Å; L164-L298 VanDerWaalsContact CD1-CD2 3.48Å; L164-A302 HydrophobicContact CB-CB 3.57Å; L164-A302 HydrophobicContact CD1-CB 4.46Å
165	H	98.6	Very high	98.6	Very high	113 Å²	113	23.9 Å²	23.9	52%	0.523	15%	0.145	S	C	.	.	H	α-helix	trans	-66.2	-29.4	178.8	-170.8	60	0	0	0	112.7	W161 D162 L163 G167 A302	W161-H165 HydrophobicContact CD2-CB 4.4Å; W161-H165 HydrophobicContact CE3-CB 3.96Å; W161-H165 HydrophobicContact CH2-CB 3.98Å; W161-H165 AromaticContact CH2-CD2 3.77Å; W161-H165 AromaticContact CH2-CG 3.57Å; W161-H165 AromaticContact CH2-ND1 3.81Å; W161-H165 HydrophobicContact CZ2-CB 4.42Å; W161-H165 HydrophobicContact CZ3-CB 3.74Å; W161-H165 AromaticContact CZ3-CD2 3.83Å; W161-H165 AromaticContact CZ3-CG 3.71Å; W161-H165 WeakPolarHBondContact O-CB 3.43Å; W161-H165 PolarHBondContact O-N 2.81Å; D162-H165 PolarHBondContact O-N 3.43Å; L163-H165 VanDerWaalsContact C-N 3.33Å; H165-G167 PolarHBondContact O-N 2.69Å; H165-A302 WeakPolarHBondContact CA-O 3.27Å; H165-A302 HydrophobicContact CB-CB 4.38Å; H165-A302 PolarHBondContact ND1-O 3.4Å
166	A	98.4	Very high	98.6	Very high	73 Å²	73	23 Å²	23	60%	0.603	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-3.3	169.5	0	0	0	0	0	113.8	D162 L163 L164	D162-A166 PolarHBondContact O-N 3.05Å; L163-A166 PolarHBondContact O-N 2.72Å; L164-A166 PolarHBondContact O-N 2.92Å
167	G	98.1	Very high	98.6	Very high	58 Å²	58	23 Å²	23	60%	0.598	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.6	22.2	175.8	0	0	0	0	0	114.6	L164 H165	L164-G167 WeakPolarHBondContact O-CA 3.31Å; L164-G167 PolarHBondContact O-N 3.31Å; H165-G167 PolarHBondContact O-N 2.69Å
168	L	98.3	Very high	98.6	Very high	35 Å²	35	22.6 Å²	22.6	18%	0.183	14%	0.138	C	C	.	.			trans	-84.4	125.5	179.2	-57.5	-179.4	0	0	0	111.8	Y113 L163 F171	Y113-L168 HydrophobicContact CE2-CD1 3.54Å; Y113-L168 WeakPolarHBondContact OH-CD1 3.18Å; L163-L168 HydrophobicContact CB-CD1 4.16Å; L163-L168 HydrophobicContact CD2-CD1 4Å; L163-L168 WeakPolarHBondContact O-CB 3.39Å; L163-L168 WeakPolarHBondContact O-CG 3.3Å; L163-L168 PolarHBondContact O-N 2.77Å; L168-F171 HydrophobicContact CB-CD1 3.69Å; L168-F171 HydrophobicContact CB-CE1 4.29Å; L168-F171 HydrophobicContact CD1-CB 4.18Å; L168-F171 HydrophobicContact CD1-CD1 4.18Å; L168-F171 HydrophobicContact CD1-CG 4.38Å
169	D	97.8	Very high	98.6	Very high	61 Å²	61	27 Å²	27	33%	0.326	16%	0.155	S	C	.	.	S	Bend	trans	-85.3	-21.4	174.5	-80.7	-18.3	0	0	0	113	R198 L199 R307	D169-R198 CarbonylContact O-C 3.51Å; D169-R198 WeakPolarHBondContact O-CA 3.35Å; D169-L199 HydrophobicContact CB-CB 4.37Å; D169-L199 PolarHBondContact O-N 2.92Å; D169-R307 IonicContact OD1-CZ 3.65Å; D169-R307 IonicContact OD1-NH1 3.71Å; D169-R307 IonicContact OD2-CZ 3.43Å; D169-R307 IonicContact OD2-NH1 3.91Å; D169-R307 PolarHBondContact OD2-NH1 3.04Å; D169-R307 IonicContact OD2-NH2 2.82Å; D169-R307 PolarHBondContact OD2-NH2 2.99Å
170	A	98.2	Very high	98.5	Very high	6 Å²	6	27 Å²	27	5%	0.05	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	125.2	179.8	0	0	0	0	0	111.9	P108 F110 S111 V197	P108-A170 HydrophobicContact CB-CB 3.94Å; P108-A170 HydrophobicContact CG-CB 4.45Å; F110-A170 HydrophobicContact CD1-CB 3.97Å; F110-A170 HydrophobicContact CD2-CB 4.3Å; F110-A170 HydrophobicContact CE1-CB 3.96Å; F110-A170 HydrophobicContact CE2-CB 4.3Å; F110-A170 HydrophobicContact CG-CB 4.14Å; F110-A170 HydrophobicContact CZ-CB 4.14Å; S111-A170 PolarHBondContact N-O 3.29Å; A170-V197 WeakPolarHBondContact CA-O 3.41Å
171	F	98.6	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	155	179.9	57.3	-93.5	0	0	0	113	S111 Y113 L163 L164 L168 V173 A196 V197	S111-F171 CarbonylContact O-C 3.52Å; S111-F171 WeakPolarHBondContact O-CA 3.5Å; S111-F171 WeakPolarHBondContact O-CB 3.48Å; Y113-F171 HydrophobicContact CD2-CB 4.36Å; Y113-F171 HydrophobicContact CE2-CB 4.27Å; L163-F171 HydrophobicContact CB-CD1 4.11Å; L163-F171 HydrophobicContact CB-CD2 4.14Å; L163-F171 HydrophobicContact CB-CE1 3.78Å; L163-F171 HydrophobicContact CB-CE2 3.81Å; L163-F171 HydrophobicContact CB-CG 4.27Å; L163-F171 HydrophobicContact CB-CZ 3.6Å; L163-F171 HydrophobicContact CD1-CD2 3.47Å; L163-F171 VanDerWaalsContact CD1-CD2 3.47Å; L163-F171 HydrophobicContact CD1-CE2 3.58Å; L163-F171 HydrophobicContact CD1-CG 4.09Å; L163-F171 HydrophobicContact CD1-CZ 4.28Å; L163-F171 HydrophobicContact CG-CD2 4.46Å; L163-F171 HydrophobicContact CG-CE2 4.35Å; L164-F171 HydrophobicContact CD2-CE1 4Å; L164-F171 HydrophobicContact CD2-CZ 4.49Å; L164-F171 HydrophobicContact CG-CE1 4.13Å; L164-F171 HydrophobicContact CG-CZ 4.22Å; L168-F171 HydrophobicContact CB-CD1 3.69Å; L168-F171 HydrophobicContact CB-CE1 4.29Å; L168-F171 HydrophobicContact CD1-CB 4.18Å; L168-F171 HydrophobicContact CD1-CD1 4.18Å; L168-F171 HydrophobicContact CD1-CG 4.38Å; F171-V173 HydrophobicContact CD2-CG2 3.86Å; F171-V173 HydrophobicContact CE2-CG2 4.07Å; F171-A196 WeakPolarHBondContact O-CA 3.18Å; F171-V197 HydrophobicContact CD1-CB 4.15Å; F171-V197 HydrophobicContact CD1-CG1 4.39Å; F171-V197 HydrophobicContact CD2-CB 4.16Å; F171-V197 HydrophobicContact CD2-CG2 4.41Å; F171-V197 HydrophobicContact CE1-CB 3.66Å; F171-V197 HydrophobicContact CE1-CG1 3.65Å; F171-V197 HydrophobicContact CE1-CG2 4.26Å; F171-V197 HydrophobicContact CE2-CB 3.66Å; F171-V197 HydrophobicContact CE2-CG1 4.46Å; F171-V197 HydrophobicContact CE2-CG2 3.56Å; F171-V197 HydrophobicContact CG-CB 4.4Å; F171-V197 HydrophobicContact CZ-CB 3.4Å; F171-V197 VanDerWaalsContact CZ-CB 3.4Å; F171-V197 HydrophobicContact CZ-CG1 3.7Å; F171-V197 HydrophobicContact CZ-CG2 3.48Å; F171-V197 VanDerWaalsContact CZ-CG2 3.48Å; F171-V197 PolarHBondContact N-O 3.45Å; F171-V197 VanDerWaalsContact N-O 3.12Å; F171-V197 PolarHBondContact O-N 3.22Å
172	L	98.8	Very high	97.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.5	168.5	-56.3	-178.7	0	0	0	109.6	K94 F97 F110 S111 V112 Y113 L194 E195 A196	K94-L172 HydrophobicContact CG-CD1 4.25Å; F97-L172 HydrophobicContact CD2-CD1 3.96Å; F97-L172 HydrophobicContact CD2-CD2 4.04Å; F97-L172 HydrophobicContact CE2-CD2 4.06Å; F97-L172 HydrophobicContact CG-CD1 4.48Å; F110-L172 HydrophobicContact CB-CG 4.18Å; F110-L172 HydrophobicContact CD1-CD2 3.88Å; F110-L172 HydrophobicContact CD1-CG 4.18Å; F110-L172 HydrophobicContact CE1-CD2 4.49Å; S111-L172 PolarHBondContact O-N 2.77Å; V112-L172 HydrophobicContact CG2-CB 4.28Å; V112-L172 HydrophobicContact CG2-CD1 4.21Å; Y113-L172 PolarHBondContact N-O 2.86Å; L172-L194 HydrophobicContact CD2-CD2 4.34Å; L172-E195 CarbonylContact C-O 3.59Å; L172-E195 WeakPolarHBondContact CA-O 3.32Å; L172-A196 HydrophobicContact CD2-CB 3.35Å
173	V	98.9	Very high	97.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.9	171.1	-174.4	0	0	0	0	108.5	Y113 L116 T156 H159 L163 F171 L194 E195	Y113-V173 WeakPolarHBondContact O-CA 3.35Å; L116-V173 HydrophobicContact CD1-CG1 4.03Å; T156-V173 HydrophobicContact CG2-CG1 4.13Å; H159-V173 HydrophobicContact CB-CG1 4.33Å; H159-V173 HydrophobicContact CB-CG2 4.34Å; L163-V173 HydrophobicContact CD1-CG2 3.39Å; F171-V173 HydrophobicContact CD2-CG2 3.86Å; F171-V173 HydrophobicContact CE2-CG2 4.07Å; V173-L194 CarbonylContact O-C 3.52Å; V173-L194 VanDerWaalsContact O-CA 3.3Å; V173-L194 WeakPolarHBondContact O-CA 3.34Å; V173-E195 HydrophobicContact CB-CB 3.87Å; V173-E195 HydrophobicContact CG2-CB 4.38Å; V173-E195 PolarHBondContact N-O 3.04Å; V173-E195 PolarHBondContact O-N 3.19Å
174	V	98.9	Very high	97.4	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129	179.6	-166.4	0	0	0	0	109.3	H79 K90 Y113 D114 Q193 L194 L316	H79-V174 HydrophobicContact CB-CG1 4.01Å; H79-V174 PolarHBondContact NE2-O 3.27Å; K90-V174 HydrophobicContact CD-CB 4.11Å; K90-V174 HydrophobicContact CD-CG1 3.83Å; K90-V174 HydrophobicContact CD-CG2 4.12Å; K90-V174 HydrophobicContact CG-CB 4.38Å; K90-V174 HydrophobicContact CG-CG1 3.97Å; K90-V174 HydrophobicContact CG-CG2 3.97Å; Y113-V174 PolarHBondContact O-N 2.93Å; D114-V174 CarbonylContact C-O 3.53Å; D114-V174 VanDerWaalsContact CA-O 3.24Å; D114-V174 WeakPolarHBondContact CA-O 3.47Å; D114-V174 HydrophobicContact CB-CB 3.93Å; D114-V174 HydrophobicContact CB-CG2 4.45Å; V174-Q193 WeakPolarHBondContact CA-O 3.48Å; V174-L194 HydrophobicContact CG2-CB 4.28Å; V174-L194 HydrophobicContact CG2-CD1 3.86Å; V174-L194 HydrophobicContact CG2-CG 3.9Å; V174-L316 HydrophobicContact CG1-CD1 3.89Å
175	G	98.7	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	162.1	-177.8	0	0	0	0	0	114.7	H192 Q193	G175-H192 VanDerWaalsContact O-CA 3.27Å; G175-H192 WeakPolarHBondContact O-CA 3.47Å; G175-Q193 PolarHBondContact N-O 3.5Å; G175-Q193 VanDerWaalsContact N-O 3.08Å; G175-Q193 PolarHBondContact O-N 2.82Å
176	D	98.7	Very high	96.9	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	133.5	164.4	54.1	-38	0	0	0	110.8	R153 Y178 I190 F191	R153-D176 PolarHBondContact NE-O 2.9Å; R153-D176 PolarHBondContact NH2-O 3.35Å; R153-D176 IonicContact NH2-OD1 2.82Å; R153-D176 PolarHBondContact NH2-OD1 3.3Å; D176-Y178 HydrophobicContact CB-CE2 4.05Å; D176-Y178 VanDerWaalsContact OD2-CE2 3.28Å; D176-Y178 WeakPolarHBondContact OD2-CE2 3.43Å; D176-Y178 VanDerWaalsContact OD2-CZ 3.27Å; D176-Y178 PolarHBondContact OD2-OH 2.97Å; D176-I190 HydrophobicContact CB-CG2 4.09Å; D176-F191 CarbonylContact C-O 3.56Å; D176-F191 WeakPolarHBondContact CA-O 3.38Å
177	V	98.8	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.7	178	-59.3	0	0	0	0	109.2	R153 T156 I190 F191 Q193	R153-V177 HydrophobicContact CG-CG1 4.23Å; R153-V177 WeakPolarHBondContact O-CA 3.47Å; T156-V177 HydrophobicContact CG2-CG1 4.11Å; V177-I190 WeakPolarHBondContact O-CA 3.22Å; V177-F191 HydrophobicContact CG2-CD1 4.1Å; V177-F191 HydrophobicContact CG2-CD2 3.57Å; V177-F191 HydrophobicContact CG2-CE1 3.83Å; V177-F191 HydrophobicContact CG2-CE2 3.27Å; V177-F191 HydrophobicContact CG2-CG 3.97Å; V177-F191 HydrophobicContact CG2-CZ 3.41Å; V177-F191 VanDerWaalsContact CG2-CZ 3.41Å; V177-F191 WeakPolarHBondContact CG2-O 3.33Å; V177-F191 PolarHBondContact N-O 3.38Å; V177-F191 PolarHBondContact O-N 2.9Å; V177-F191 VanDerWaalsContact O-N 3.1Å; V177-Q193 HydrophobicContact CG1-CB 4.33Å; V177-Q193 HydrophobicContact CG1-CG 4.37Å; V177-Q193 HydrophobicContact CG2-CG 3.9Å
178	Y	98.7	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.8	-161.2	-66.5	-100.1	0	0	0	110.9	V70 V74 P118 L152 R153 D176 P189 I190	V70-Y178 HydrophobicContact CG1-CD1 3.71Å; V70-Y178 HydrophobicContact CG1-CE1 3.94Å; V74-Y178 WeakPolarHBondContact CA-OH 3.4Å; V74-Y178 HydrophobicContact CG2-CE1 4.12Å; V74-Y178 WeakPolarHBondContact CG2-OH 3.48Å; P118-Y178 HydrophobicContact CB-CD2 4.21Å; P118-Y178 HydrophobicContact CB-CE2 3.56Å; P118-Y178 HydrophobicContact CG-CE2 4.14Å; L152-Y178 HydrophobicContact CB-CD1 4.17Å; L152-Y178 HydrophobicContact CB-CD2 3.69Å; L152-Y178 HydrophobicContact CB-CE2 4.42Å; L152-Y178 HydrophobicContact CB-CG 3.57Å; L152-Y178 HydrophobicContact CD1-CD1 3.38Å; L152-Y178 HydrophobicContact CD1-CD2 4.19Å; L152-Y178 HydrophobicContact CD1-CE1 3.59Å; L152-Y178 HydrophobicContact CD1-CE2 4.4Å; L152-Y178 HydrophobicContact CD1-CG 3.7Å; L152-Y178 HydrophobicContact CG-CD1 4.4Å; L152-Y178 HydrophobicContact CG-CD2 4.46Å; L152-Y178 HydrophobicContact CG-CG 4.26Å; R153-Y178 PolarHBondContact O-N 2.78Å; D176-Y178 HydrophobicContact CB-CE2 4.05Å; D176-Y178 VanDerWaalsContact OD2-CE2 3.28Å; D176-Y178 WeakPolarHBondContact OD2-CE2 3.43Å; D176-Y178 VanDerWaalsContact OD2-CZ 3.27Å; D176-Y178 PolarHBondContact OD2-OH 2.97Å; Y178-P189 WeakPolarHBondContact CA-O 3.25Å; Y178-I190 HydrophobicContact CD1-CB 4.41Å; Y178-I190 HydrophobicContact CD1-CD1 4.09Å; Y178-I190 HydrophobicContact CD1-CG1 3.63Å; Y178-I190 HydrophobicContact CD1-CG2 4.21Å; Y178-I190 HydrophobicContact CE1-CB 4.29Å; Y178-I190 HydrophobicContact CE1-CD1 3.55Å; Y178-I190 HydrophobicContact CE1-CG1 3.57Å; Y178-I190 HydrophobicContact CE1-CG2 3.82Å; Y178-I190 HydrophobicContact CE2-CG2 4.39Å
179	R	98.3	Very high	96.5	Very high	91 Å²	91	26.8 Å²	26.8	34%	0.343	13%	0.131	S	C	.	.			trans	-137.2	143.7	179	-63.3	-173.7	-172.5	170.5	3.3	111.5	Y144 A154 P189 F191	Y144-R179 WeakPolarHBondContact CE2-O 3.45Å; A154-R179 HydrophobicContact CB-CG 4.42Å; A154-R179 PolarHBondContact O-NE 2.98Å; A154-R179 PolarHBondContact O-NH2 3.22Å; R179-P189 PolarHBondContact N-O 2.93Å; R179-P189 VanDerWaalsContact O-CA 3.32Å; R179-P189 WeakPolarHBondContact O-CA 3.44Å; R179-F191 HydrophobicContact CB-CE1 4.16Å; R179-F191 HydrophobicContact CG-CE1 3.83Å; R179-F191 HydrophobicContact CG-CZ 4.22Å
180	R	96.7	Very high	96.5	Very high	11 Å²	11	24 Å²	24	4%	0.042	12%	0.116	C	C	.	.			trans	-90.3	120.8	170.2	-60	-177.8	75.1	-156.4	1.1	107.2	N65 K140 G141 D142 N143 Y144 N379 D380 D383	N65-R180 PolarHBondContact ND2-NH1 3.04Å; K140-R180 PolarHBondContact O-NH1 3.45Å; G141-R180 WeakPolarHBondContact O-CB 3.26Å; D142-R180 PolarHBondContact O-N 3.39Å; N143-R180 WeakPolarHBondContact O-CD 3.22Å; Y144-R180 HydrophobicContact CD1-CG 3.84Å; Y144-R180 HydrophobicContact CD2-CG 3.96Å; Y144-R180 HydrophobicContact CE1-CG 3.57Å; Y144-R180 HydrophobicContact CE2-CG 3.75Å; Y144-R180 HydrophobicContact CG-CG 4.03Å; R180-N379 HydrophobicContact CB-CB 4.24Å; R180-N379 PolarHBondContact NH2-O 3.04Å; R180-N379 PolarHBondContact O-ND2 3.22Å; R180-D380 IonicContact CZ-OD1 3.67Å; R180-D380 IonicContact NH1-OD1 2.69Å; R180-D380 PolarHBondContact NH1-OD1 2.91Å; R180-D380 IonicContact NH2-OD1 3.31Å; R180-D380 PolarHBondContact NH2-OD1 3Å; R180-D383 IonicContact CZ-OD2 2.92Å; R180-D383 IonicContact NE-OD2 3.56Å; R180-D383 PolarHBondContact NE-OD2 3.23Å; R180-D383 IonicContact NH2-OD2 2.83Å; R180-D383 PolarHBondContact NH2-OD2 2.72Å
181	D	92.9	Very high	96.6	Very high	56 Å²	56	25.2 Å²	25.2	30%	0.299	12%	0.12	S	C	.	.			trans	-158	172.5	-171.4	-147.5	-24.6	0	0	0	110.2	H187 R386	D181-H187 IonicContact OD2-CD2 3.2Å; D181-H187 PolarHBondContact OD2-CD2 3.28Å; D181-H187 VanDerWaalsContact OD2-CD2 3.31Å; D181-H187 IonicContact OD2-NE2 3.92Å; D181-R386 PolarHBondContact O-NH1 2.67Å; D181-R386 PolarHBondContact O-NH2 3.13Å
182	Q	92.4	Very high	96.6	Very high	83 Å²	83	25.2 Å²	25.2	39%	0.388	12%	0.121	S	C	.	.			trans	-58	167	178.2	67.1	-171.5	23.8	0	0	113.7	D184 H187 Y382 R386	Q182-D184 PolarHBondContact NE2-OD2 3.47Å; Q182-H187 HydrophobicContact CG-CB 4.34Å; Q182-H187 PolarHBondContact NE2-CE1 3Å; Q182-H187 WeakPolarHBondContact O-CB 3.31Å; Q182-Y382 HydrophobicContact CB-CE2 4.23Å; Q182-R386 PolarHBondContact O-NH2 2.83Å
183	I	93.6	Very high	96.6	Very high	13 Å²	13	26.2 Å²	26.2	7%	0.067	13%	0.125	C	C	.	.			trans	-110.4	108.7	179	-55.4	177.8	0	0	0	108.6	Y382 V385 R386 V393 K395 V396	I183-Y382 HydrophobicContact CG1-CG 4.4Å; I183-V385 HydrophobicContact CD1-CB 3.86Å; I183-V385 HydrophobicContact CD1-CG1 3.73Å; I183-R386 HydrophobicContact CD1-CG 3.73Å; I183-R386 HydrophobicContact CG1-CG 4.24Å; I183-V393 HydrophobicContact CG2-CG1 4.06Å; I183-K395 CarbonylContact O-C 3.58Å; I183-K395 VanDerWaalsContact O-CA 3.27Å; I183-K395 WeakPolarHBondContact O-CA 3.39Å; I183-K395 WeakPolarHBondContact O-CG 3.29Å; I183-V396 HydrophobicContact CB-CB 4.23Å; I183-V396 HydrophobicContact CB-CG2 4.05Å; I183-V396 HydrophobicContact CD1-CG2 3.85Å; I183-V396 HydrophobicContact CG1-CG2 4.43Å; I183-V396 HydrophobicContact CG2-CG2 4.39Å; I183-V396 PolarHBondContact O-N 2.88Å
184	D	93.8	Very high	96.6	Very high	22 Å²	22	26.2 Å²	26.2	12%	0.118	13%	0.125	C	C	.	.	S	Bend	trans	-152.4	-173.2	170.4	61.8	40.5	0	0	0	109.8	Q182 Q186 H187 E394 K395	Q182-D184 PolarHBondContact NE2-OD2 3.47Å; D184-Q186 PolarHBondContact O-N 3.25Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.45Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.22Å; D184-Q186 PolarHBondContact OD1-N 3.19Å; D184-H187 IonicContact OD1-CE1 2.67Å; D184-H187 IonicContact OD1-CG 3.63Å; D184-H187 PolarHBondContact OD1-N 2.97Å; D184-H187 IonicContact OD1-ND1 3.66Å; D184-H187 PolarHBondContact OD1-ND1 2.84Å; D184-H187 IonicContact OD2-CE1 3.18Å; D184-H187 IonicContact OD2-CG 3.63Å; D184-H187 IonicContact OD2-ND1 2.82Å; D184-H187 PolarHBondContact OD2-ND1 2.85Å; D184-E394 CarbonylContact C-O 3.59Å; D184-E394 WeakPolarHBondContact CA-O 3.47Å; D184-K395 HydrophobicContact CB-CG 4.21Å
185	S	92.1	Very high	96.6	Very high	41 Å²	41	26.2 Å²	26.2	29%	0.287	13%	0.125	S	C	.	.	S	Bend	trans	-72.3	-7.7	-177.9	61.5	0	0	0	0	114.6	I329	S185-I329 WeakPolarHBondContact O-CG2 3.26Å; S185-I329 PolarHBondContact O-N 2.95Å
186	Q	93.4	Very high	96.6	Very high	90 Å²	90	26.2 Å²	26.2	42%	0.421	13%	0.125	S	C	.	.	S	Bend	trans	-111.2	-19.4	-177.4	-57.7	-177.4	42.6	0	0	112.7	D184	D184-Q186 PolarHBondContact O-N 3.25Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.45Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.22Å; D184-Q186 PolarHBondContact OD1-N 3.19Å
187	H	95.3	Very high	96.6	Very high	48 Å²	48	26.1 Å²	26.1	22%	0.222	12%	0.124	C	C	.	.			trans	-112.1	125.7	-177.2	-60.7	88.5	0	0	0	112.1	D181 Q182 D184	D181-H187 IonicContact OD2-CD2 3.2Å; D181-H187 PolarHBondContact OD2-CD2 3.28Å; D181-H187 VanDerWaalsContact OD2-CD2 3.31Å; D181-H187 IonicContact OD2-NE2 3.92Å; Q182-H187 HydrophobicContact CG-CB 4.34Å; Q182-H187 PolarHBondContact NE2-CE1 3Å; Q182-H187 WeakPolarHBondContact O-CB 3.31Å; D184-H187 IonicContact OD1-CE1 2.67Å; D184-H187 IonicContact OD1-CG 3.63Å; D184-H187 PolarHBondContact OD1-N 2.97Å; D184-H187 IonicContact OD1-ND1 3.66Å; D184-H187 PolarHBondContact OD1-ND1 2.84Å; D184-H187 IonicContact OD2-CE1 3.18Å; D184-H187 IonicContact OD2-CG 3.63Å; D184-H187 IonicContact OD2-ND1 2.82Å; D184-H187 PolarHBondContact OD2-ND1 2.85Å
188	Y	95.9	Very high	96.6	Very high	25 Å²	25	26.3 Å²	26.3	10%	0.098	13%	0.125	C	C	.	.			trans	-131.7	146.4	171.8	-153.2	-106.2	0	0	0	108.6	I190 I329 R330 W333 D391	Y188-I190 HydrophobicContact CD1-CB 4.5Å; Y188-I190 WeakPolarHBondContact CD1-O 3.19Å; Y188-I190 PolarHBondContact O-N 3.25Å; Y188-I329 HydrophobicContact CD2-CG2 4.34Å; Y188-R330 HydrophobicContact CD2-CG 4.16Å; Y188-R330 HydrophobicContact CE2-CG 4Å; Y188-W333 AromaticContact CD1-CD1 3.75Å; Y188-W333 HydrophobicContact CD1-CD2 4.37Å; Y188-W333 AromaticContact CD1-CE2 3.65Å; Y188-W333 HydrophobicContact CD1-CG 4.42Å; Y188-W333 HydrophobicContact CD1-CZ2 4.11Å; Y188-W333 AromaticContact CD1-NE1 3.21Å; Y188-W333 AromaticContact CE1-CD1 3.52Å; Y188-W333 AromaticContact CE1-CD2 3.75Å; Y188-W333 HydrophobicContact CE1-CD2 3.75Å; Y188-W333 AromaticContact CE1-CE2 3.47Å; Y188-W333 VanDerWaalsContact CE1-CE2 3.47Å; Y188-W333 AromaticContact CE1-CG 3.79Å; Y188-W333 HydrophobicContact CE1-CG 3.79Å; Y188-W333 HydrophobicContact CE1-CZ2 4.09Å; Y188-W333 AromaticContact CE1-NE1 3.32Å; Y188-W333 VanDerWaalsContact CE1-NE1 3.32Å; Y188-W333 AromaticContact CG-NE1 3.95Å; Y188-W333 AromaticContact CZ-CD1 3.86Å; Y188-D391 WeakPolarHBondContact CE2-OD1 3.31Å; Y188-D391 PolarHBondContact OH-OD1 3.12Å
189	P	96.6	Very high	96.5	Very high	9 Å²	9	26.3 Å²	26.3	6%	0.058	13%	0.125	C	C	.	.	S	Bend	trans	-61.9	-16.9	-177.1	18.5	-27.5	0	0	0	114	V70 Y144 Y178 R179 R386	V70-P189 HydrophobicContact CG2-CB 4.29Å; Y144-P189 HydrophobicContact CE2-CB 3.98Å; Y144-P189 WeakPolarHBondContact OH-CB 3.43Å; Y178-P189 WeakPolarHBondContact CA-O 3.25Å; R179-P189 PolarHBondContact N-O 2.93Å; R179-P189 VanDerWaalsContact O-CA 3.32Å; R179-P189 WeakPolarHBondContact O-CA 3.44Å; P189-R386 VanDerWaalsContact CB-NH1 3.33Å; P189-R386 VanDerWaalsContact CD-CZ 3.43Å
190	I	98.3	Very high	96.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	122.7	-177.8	-45.7	173.7	0	0	0	106.9	V70 R73 D176 V177 Y178 Y188 W333	V70-I190 HydrophobicContact CG1-CD1 4.31Å; R73-I190 HydrophobicContact CB-CD1 3.12Å; R73-I190 HydrophobicContact CG-CD1 3.59Å; D176-I190 HydrophobicContact CB-CG2 4.09Å; V177-I190 WeakPolarHBondContact O-CA 3.22Å; Y178-I190 HydrophobicContact CD1-CB 4.41Å; Y178-I190 HydrophobicContact CD1-CD1 4.09Å; Y178-I190 HydrophobicContact CD1-CG1 3.63Å; Y178-I190 HydrophobicContact CD1-CG2 4.21Å; Y178-I190 HydrophobicContact CE1-CB 4.29Å; Y178-I190 HydrophobicContact CE1-CD1 3.55Å; Y178-I190 HydrophobicContact CE1-CG1 3.57Å; Y178-I190 HydrophobicContact CE1-CG2 3.82Å; Y178-I190 HydrophobicContact CE2-CG2 4.39Å; Y188-I190 HydrophobicContact CD1-CB 4.5Å; Y188-I190 WeakPolarHBondContact CD1-O 3.19Å; Y188-I190 PolarHBondContact O-N 3.25Å; I190-W333 HydrophobicContact CB-CH2 3.95Å; I190-W333 HydrophobicContact CB-CZ2 3.74Å; I190-W333 HydrophobicContact CD1-CH2 4.35Å; I190-W333 HydrophobicContact CG2-CH2 3.78Å; I190-W333 HydrophobicContact CG2-CZ2 3.87Å; I190-W333 WeakPolarHBondContact O-CZ2 3.38Å
191	F	98.5	Very high	96.5	Very high	32 Å²	32	23 Å²	23	14%	0.14	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	179.5	173.9	63.3	-84	0	0	0	107.9	D176 V177 R179 Q193 E317	D176-F191 CarbonylContact C-O 3.56Å; D176-F191 WeakPolarHBondContact CA-O 3.38Å; V177-F191 HydrophobicContact CG2-CD1 4.1Å; V177-F191 HydrophobicContact CG2-CD2 3.57Å; V177-F191 HydrophobicContact CG2-CE1 3.83Å; V177-F191 HydrophobicContact CG2-CE2 3.27Å; V177-F191 HydrophobicContact CG2-CG 3.97Å; V177-F191 HydrophobicContact CG2-CZ 3.41Å; V177-F191 VanDerWaalsContact CG2-CZ 3.41Å; V177-F191 WeakPolarHBondContact CG2-O 3.33Å; V177-F191 PolarHBondContact N-O 3.38Å; V177-F191 PolarHBondContact O-N 2.9Å; V177-F191 VanDerWaalsContact O-N 3.1Å; R179-F191 HydrophobicContact CB-CE1 4.16Å; R179-F191 HydrophobicContact CG-CE1 3.83Å; R179-F191 HydrophobicContact CG-CZ 4.22Å; F191-Q193 HydrophobicContact CD2-CG 4.37Å; F191-Q193 HydrophobicContact CE2-CG 3.92Å; F191-E317 WeakPolarHBondContact CA-OE1 3.4Å; F191-E317 HydrophobicContact CB-CG 4.39Å; F191-E317 WeakPolarHBondContact CB-OE2 3.44Å
192	H	98.8	Very high	96.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.4	-172.5	-55.3	72.5	0	0	0	110.9	H79 L86 G175 L316 E317	H79-H192 AromaticContact CG-CD2 3.92Å; H79-H192 AromaticContact ND1-CD2 3.31Å; H79-H192 PolarHBondContact ND1-CD2 3.4Å; H79-H192 VanDerWaalsContact ND1-CD2 3.31Å; H79-H192 AromaticContact ND1-NE2 3.77Å; L86-H192 HydrophobicContact CD1-CB 4.4Å; L86-H192 WeakPolarHBondContact CD1-ND1 3.46Å; G175-H192 VanDerWaalsContact O-CA 3.27Å; G175-H192 WeakPolarHBondContact O-CA 3.47Å; H192-L316 HydrophobicContact CB-CB 4.19Å; H192-L316 HydrophobicContact CB-CD1 3.77Å; H192-L316 HydrophobicContact CB-CG 4.4Å; H192-L316 PolarHBondContact O-N 2.82Å; H192-E317 IonicContact CE1-OE1 2.75Å; H192-E317 IonicContact CG-OE1 2.72Å; H192-E317 VanDerWaalsContact N-CD 3.26Å; H192-E317 PolarHBondContact N-OE1 2.87Å; H192-E317 PolarHBondContact N-OE2 2.88Å; H192-E317 IonicContact ND1-OE1 2.77Å; H192-E317 PolarHBondContact ND1-OE1 2.82Å
193	Q	98.8	Very high	96.6	Very high	22 Å²	22	24 Å²	24	10%	0.103	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	155.1	174.7	-70.9	-174	-40.8	0	0	111.2	H155 T156 V174 G175 V177 F191 L314	H155-Q193 VanDerWaalsContact CB-OE1 3.26Å; T156-Q193 HydrophobicContact CG2-CB 3.87Å; T156-Q193 VanDerWaalsContact OG1-CB 3.31Å; T156-Q193 WeakPolarHBondContact OG1-CB 3.41Å; T156-Q193 PolarHBondContact OG1-OE1 3.44Å; V174-Q193 WeakPolarHBondContact CA-O 3.48Å; G175-Q193 PolarHBondContact N-O 3.5Å; G175-Q193 VanDerWaalsContact N-O 3.08Å; G175-Q193 PolarHBondContact O-N 2.82Å; V177-Q193 HydrophobicContact CG1-CB 4.33Å; V177-Q193 HydrophobicContact CG1-CG 4.37Å; V177-Q193 HydrophobicContact CG2-CG 3.9Å; F191-Q193 HydrophobicContact CD2-CG 4.37Å; F191-Q193 HydrophobicContact CE2-CG 3.92Å; Q193-L314 WeakPolarHBondContact CA-O 3.37Å
194	L	98.8	Very high	96.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.3	162.9	178.7	156.4	0	0	0	108.3	V93 L172 V173 V174 F312 G313 L314 L316	V93-L194 HydrophobicContact CB-CD1 3.84Å; V93-L194 HydrophobicContact CG1-CD1 3.56Å; V93-L194 HydrophobicContact CG1-CD2 3.95Å; V93-L194 HydrophobicContact CG1-CG 4.45Å; V93-L194 HydrophobicContact CG2-CD1 4.27Å; L172-L194 HydrophobicContact CD2-CD2 4.34Å; V173-L194 CarbonylContact O-C 3.52Å; V173-L194 VanDerWaalsContact O-CA 3.3Å; V173-L194 WeakPolarHBondContact O-CA 3.34Å; V174-L194 HydrophobicContact CG2-CB 4.28Å; V174-L194 HydrophobicContact CG2-CD1 3.86Å; V174-L194 HydrophobicContact CG2-CG 3.9Å; L194-F312 HydrophobicContact CD2-CE2 3.87Å; L194-F312 HydrophobicContact CD2-CZ 4.41Å; L194-G313 WeakPolarHBondContact O-CA 3.45Å; L194-L314 HydrophobicContact CB-CD1 3.84Å; L194-L314 HydrophobicContact CB-CD2 4.41Å; L194-L314 HydrophobicContact CB-CG 3.89Å; L194-L314 HydrophobicContact CD2-CD2 4.02Å; L194-L314 HydrophobicContact CD2-CG 4.26Å; L194-L314 PolarHBondContact N-O 3.43Å; L194-L314 PolarHBondContact O-N 2.9Å; L194-L316 HydrophobicContact CB-CD2 4.25Å
195	E	98.8	Very high	96.7	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.014	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	144.3	170.6	-152.7	79.4	178.8	0	0	109.5	T156 S157 Q160 L172 V173 F312	T156-E195 PolarHBondContact OG1-OE2 3.42Å; S157-E195 WeakPolarHBondContact CA-OE1 3.24Å; S157-E195 VanDerWaalsContact CB-OE1 3.24Å; S157-E195 WeakPolarHBondContact CB-OE1 3.41Å; S157-E195 PolarHBondContact N-OE2 2.93Å; S157-E195 VanDerWaalsContact OG-CD 3.26Å; S157-E195 PolarHBondContact OG-OE1 3.08Å; S157-E195 PolarHBondContact OG-OE2 3.03Å; Q160-E195 HydrophobicContact CG-CG 4.47Å; Q160-E195 PolarHBondContact NE2-OE1 2.91Å; L172-E195 CarbonylContact C-O 3.59Å; L172-E195 WeakPolarHBondContact CA-O 3.32Å; V173-E195 HydrophobicContact CB-CB 3.87Å; V173-E195 HydrophobicContact CG2-CB 4.38Å; V173-E195 PolarHBondContact N-O 3.04Å; V173-E195 PolarHBondContact O-N 3.19Å; E195-F312 CarbonylContact C-O 3.59Å; E195-F312 VanDerWaalsContact CA-O 3.3Å; E195-F312 WeakPolarHBondContact CA-O 3.37Å
196	A	98.8	Very high	96.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.2	162.3	0	0	0	0	0	109.8	F97 F171 L172 W310 A311 F312	F97-A196 HydrophobicContact CZ-CB 4.38Å; F171-A196 WeakPolarHBondContact O-CA 3.18Å; L172-A196 HydrophobicContact CD2-CB 3.35Å; A196-W310 HydrophobicContact CB-CH2 4.48Å; A196-W310 HydrophobicContact CB-CZ3 3.96Å; A196-A311 CarbonylContact O-C 3.54Å; A196-A311 VanDerWaalsContact O-CA 3.23Å; A196-A311 WeakPolarHBondContact O-CA 3.37Å; A196-F312 HydrophobicContact CB-CD1 3.88Å; A196-F312 HydrophobicContact CB-CD2 4.29Å; A196-F312 HydrophobicContact CB-CE1 3.36Å; A196-F312 HydrophobicContact CB-CE2 3.78Å; A196-F312 HydrophobicContact CB-CG 4.32Å; A196-F312 HydrophobicContact CB-CZ 3.29Å; A196-F312 PolarHBondContact N-O 3.49Å; A196-F312 PolarHBondContact O-N 2.94Å
197	V	98.8	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.5	172.7	170.6	0	0	0	0	108.7	Q160 L164 A170 F171 L199 M294 A311	Q160-V197 HydrophobicContact CG-CG2 3.88Å; L164-V197 HydrophobicContact CD2-CG1 4.03Å; A170-V197 WeakPolarHBondContact CA-O 3.41Å; F171-V197 HydrophobicContact CD1-CB 4.15Å; F171-V197 HydrophobicContact CD1-CG1 4.39Å; F171-V197 HydrophobicContact CD2-CB 4.16Å; F171-V197 HydrophobicContact CD2-CG2 4.41Å; F171-V197 HydrophobicContact CE1-CB 3.66Å; F171-V197 HydrophobicContact CE1-CG1 3.65Å; F171-V197 HydrophobicContact CE1-CG2 4.26Å; F171-V197 HydrophobicContact CE2-CB 3.66Å; F171-V197 HydrophobicContact CE2-CG1 4.46Å; F171-V197 HydrophobicContact CE2-CG2 3.56Å; F171-V197 HydrophobicContact CG-CB 4.4Å; F171-V197 HydrophobicContact CZ-CB 3.4Å; F171-V197 VanDerWaalsContact CZ-CB 3.4Å; F171-V197 HydrophobicContact CZ-CG1 3.7Å; F171-V197 HydrophobicContact CZ-CG2 3.48Å; F171-V197 VanDerWaalsContact CZ-CG2 3.48Å; F171-V197 PolarHBondContact N-O 3.45Å; F171-V197 VanDerWaalsContact N-O 3.12Å; F171-V197 PolarHBondContact O-N 3.22Å; V197-L199 HydrophobicContact CG1-CD2 4.44Å; V197-M294 HydrophobicContact CG1-CE 4.13Å; V197-M294 HydrophobicContact CG1-SD 3.68Å; V197-M294 HydrophobicContact CG2-CE 4.31Å; V197-M294 HydrophobicContact CG2-SD 4.47Å; V197-A311 HydrophobicContact CG2-CB 4.04Å
198	R	98.5	Very high	96.1	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.015	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	121.2	176.5	-161.8	-54.9	-156.7	-149.3	-1.3	110.1	Y101 F110 D169 F200 E204 G309 W310	Y101-R198 PolarHBondContact OH-NE 2.72Å; F110-R198 HydrophobicContact CE1-CB 4.36Å; F110-R198 HydrophobicContact CE1-CG 4.46Å; F110-R198 HydrophobicContact CZ-CB 4.22Å; F110-R198 HydrophobicContact CZ-CG 3.89Å; D169-R198 CarbonylContact O-C 3.51Å; D169-R198 WeakPolarHBondContact O-CA 3.35Å; R198-F200 VanDerWaalsContact CD-CE2 3.42Å; R198-F200 VanDerWaalsContact CD-CZ 3.48Å; R198-F200 HydrophobicContact CG-CE2 4.27Å; R198-F200 HydrophobicContact CG-CZ 4.22Å; R198-F200 VanDerWaalsContact NH2-CD1 3.25Å; R198-E204 IonicContact CZ-OE1 3.34Å; R198-E204 IonicContact CZ-OE2 3.62Å; R198-E204 IonicContact NH1-OE1 3.13Å; R198-E204 PolarHBondContact NH1-OE1 2.97Å; R198-E204 VanDerWaalsContact NH1-OE1 3.13Å; R198-E204 IonicContact NH1-OE2 2.73Å; R198-E204 PolarHBondContact NH1-OE2 3.42Å; R198-E204 IonicContact NH2-OE1 2.67Å; R198-E204 PolarHBondContact NH2-OE1 2.91Å; R198-E204 IonicContact NH2-OE2 3.6Å; R198-G309 CarbonylContact O-C 3.52Å; R198-G309 WeakPolarHBondContact O-CA 3.44Å; R198-W310 HydrophobicContact CB-CD2 3.77Å; R198-W310 VanDerWaalsContact CB-CE2 3.42Å; R198-W310 HydrophobicContact CB-CE3 4.06Å; R198-W310 HydrophobicContact CB-CG 4.49Å; R198-W310 HydrophobicContact CB-CH2 3.68Å; R198-W310 HydrophobicContact CB-CZ2 3.39Å; R198-W310 HydrophobicContact CB-CZ3 4.01Å; R198-W310 HydrophobicContact CG-CH2 4.37Å; R198-W310 HydrophobicContact CG-CZ2 3.77Å; R198-W310 PolarHBondContact N-O 2.67Å; R198-W310 PolarHBondContact O-N 2.96Å
199	L	98.4	Very high	95.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.8	176.4	-63.8	-164.7	0	0	0	112.5	L164 D169 V197 M294 V299 A304 R307 I308	L164-L199 HydrophobicContact CD2-CD1 3.52Å; L164-L199 HydrophobicContact CD2-CD2 4.04Å; L164-L199 HydrophobicContact CD2-CG 3.83Å; D169-L199 HydrophobicContact CB-CB 4.37Å; D169-L199 PolarHBondContact O-N 2.92Å; V197-L199 HydrophobicContact CG1-CD2 4.44Å; L199-M294 HydrophobicContact CD2-SD 4.09Å; L199-V299 HydrophobicContact CD1-CG1 4.49Å; L199-V299 HydrophobicContact CD2-CG1 4.33Å; L199-A304 HydrophobicContact CD1-CB 3.72Å; L199-R307 HydrophobicContact CB-CB 4.06Å; L199-R307 HydrophobicContact CB-CG 4.39Å; L199-R307 HydrophobicContact CD1-CB 3.96Å; L199-R307 HydrophobicContact CD1-CG 4.19Å; L199-R307 HydrophobicContact CG-CB 4.48Å; L199-I308 CarbonylContact C-O 3.49Å; L199-I308 WeakPolarHBondContact CA-O 3.4Å
200	F	98.1	Very high	95.2	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.8	178.4	-56	-103.1	0	0	0	111.1	R198 E204 L205 V239 D242 R307 I308 W310	R198-F200 VanDerWaalsContact CD-CE2 3.42Å; R198-F200 VanDerWaalsContact CD-CZ 3.48Å; R198-F200 HydrophobicContact CG-CE2 4.27Å; R198-F200 HydrophobicContact CG-CZ 4.22Å; R198-F200 VanDerWaalsContact NH2-CD1 3.25Å; F200-E204 HydrophobicContact CD1-CG 4.49Å; F200-L205 HydrophobicContact CB-CB 4.25Å; F200-L205 HydrophobicContact CB-CD1 4.31Å; F200-L205 HydrophobicContact CD1-CD1 3.91Å; F200-L205 HydrophobicContact CE1-CD1 4.39Å; F200-L205 HydrophobicContact CG-CD1 4.05Å; F200-V239 HydrophobicContact CD2-CG2 4.2Å; F200-V239 HydrophobicContact CE2-CG1 4.5Å; F200-V239 HydrophobicContact CE2-CG2 4.46Å; F200-D242 HydrophobicContact CZ-CB 4.08Å; F200-D242 WeakPolarHBondContact CZ-OD2 3.31Å; F200-R307 WeakPolarHBondContact O-CA 3.38Å; F200-R307 WeakPolarHBondContact O-CD 3.2Å; F200-I308 HydrophobicContact CB-CG2 4.28Å; F200-I308 PolarHBondContact N-O 3.12Å; F200-I308 PolarHBondContact O-N 2.8Å; F200-W310 AromaticContact CE2-CD1 3.49Å; F200-W310 VanDerWaalsContact CE2-CD1 3.49Å; F200-W310 HydrophobicContact CE2-CG 4.43Å; F200-W310 AromaticContact CE2-NE1 3.57Å; F200-W310 AromaticContact CZ-CD1 3.84Å; F200-W310 AromaticContact CZ-NE1 3.5Å
201	S	96.9	Very high	94.6	Very high	26 Å²	26	38 Å²	38	18%	0.182	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	163.7	162.9	71.8	0	0	0	0	111.1	H203 E204 L205	S201-H203 PolarHBondContact O-N 2.75Å; S201-E204 PolarHBondContact N-OE2 2.87Å; S201-E204 PolarHBondContact O-N 3.27Å; S201-E204 VanDerWaalsContact OG-CB 3.25Å; S201-E204 WeakPolarHBondContact OG-CB 3.39Å; S201-E204 PolarHBondContact OG-N 3.1Å; S201-L205 PolarHBondContact O-N 3.35Å
202	K	96	Very high	93.9	Very high	42 Å²	42	37 Å²	37	18%	0.183	20%	0.204	C	C	.	.	H	α-helix	trans	-52.7	-54.1	174.1	175.3	-178.2	154.5	161.4	0	111.7	E204 L205 F206 D213 L215 Q216 L217	K202-E204 VanDerWaalsContact C-N 3.25Å; K202-E204 PolarHBondContact O-N 2.73Å; K202-L205 PolarHBondContact O-N 3.15Å; K202-F206 HydrophobicContact CG-CD2 3.91Å; K202-F206 HydrophobicContact CG-CE2 4.08Å; K202-F206 WeakPolarHBondContact O-CD2 3.44Å; K202-F206 PolarHBondContact O-N 3.36Å; K202-D213 PolarHBondContact NZ-O 2.83Å; K202-L215 WeakPolarHBondContact CE-O 3.05Å; K202-L215 PolarHBondContact NZ-O 3.31Å; K202-Q216 VanDerWaalsContact NZ-CD 3.28Å; K202-Q216 VanDerWaalsContact NZ-OE1 3.11Å; K202-L217 HydrophobicContact CB-CD1 4.17Å; K202-L217 HydrophobicContact CB-CG 3.94Å
203	H	90.6	Very high	93.3	Very high	117 Å²	117	42.7 Å²	42.7	54%	0.542	23%	0.234	S	C	.	.	H	α-helix	trans	-64	-35.8	-175.7	-63.9	-68.4	0	0	0	111.5	F105 S201 A207	F105-H203 WeakPolarHBondContact CE2-O 3.33Å; S201-H203 PolarHBondContact O-N 2.75Å; H203-A207 WeakPolarHBondContact O-CA 3.34Å; H203-A207 PolarHBondContact O-N 2.86Å
204	E	93.9	Very high	93	Very high	24 Å²	24	45 Å²	45	11%	0.112	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-46.8	178.2	-177.2	177.8	-155.6	0	0	113.2	F105 R198 F200 S201 K202 F206 A207	F105-E204 HydrophobicContact CD2-CB 4.09Å; F105-E204 HydrophobicContact CD2-CG 4.06Å; F105-E204 HydrophobicContact CE2-CB 4.48Å; R198-E204 IonicContact CZ-OE1 3.34Å; R198-E204 IonicContact CZ-OE2 3.62Å; R198-E204 IonicContact NH1-OE1 3.13Å; R198-E204 PolarHBondContact NH1-OE1 2.97Å; R198-E204 VanDerWaalsContact NH1-OE1 3.13Å; R198-E204 IonicContact NH1-OE2 2.73Å; R198-E204 PolarHBondContact NH1-OE2 3.42Å; R198-E204 IonicContact NH2-OE1 2.67Å; R198-E204 PolarHBondContact NH2-OE1 2.91Å; R198-E204 IonicContact NH2-OE2 3.6Å; F200-E204 HydrophobicContact CD1-CG 4.49Å; S201-E204 PolarHBondContact N-OE2 2.87Å; S201-E204 PolarHBondContact O-N 3.27Å; S201-E204 VanDerWaalsContact OG-CB 3.25Å; S201-E204 WeakPolarHBondContact OG-CB 3.39Å; S201-E204 PolarHBondContact OG-N 3.1Å; K202-E204 VanDerWaalsContact C-N 3.25Å; K202-E204 PolarHBondContact O-N 2.73Å; E204-F206 VanDerWaalsContact C-N 3.27Å; E204-F206 PolarHBondContact O-N 3.44Å; E204-A207 WeakPolarHBondContact O-CB 3.19Å; E204-A207 PolarHBondContact O-N 3.41Å
205	L	95.3	Very high	92.8	Very high	7 Å²	7	47 Å²	47	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-37	-177.8	-167.6	64	0	0	0	111.5	F200 S201 K202 L217 A235 L238 V239 I308	F200-L205 HydrophobicContact CB-CB 4.25Å; F200-L205 HydrophobicContact CB-CD1 4.31Å; F200-L205 HydrophobicContact CD1-CD1 3.91Å; F200-L205 HydrophobicContact CE1-CD1 4.39Å; F200-L205 HydrophobicContact CG-CD1 4.05Å; S201-L205 PolarHBondContact O-N 3.35Å; K202-L205 PolarHBondContact O-N 3.15Å; L205-L217 HydrophobicContact CB-CD2 4.35Å; L205-L217 HydrophobicContact CD2-CD2 3.55Å; L205-A235 HydrophobicContact CD2-CB 3.85Å; L205-L238 HydrophobicContact CD1-CB 3.75Å; L205-L238 HydrophobicContact CD2-CB 4.36Å; L205-L238 HydrophobicContact CG-CB 3.99Å; L205-L238 HydrophobicContact CG-CD1 4.05Å; L205-V239 HydrophobicContact CD1-CG2 3.89Å; L205-V239 HydrophobicContact CD2-CG2 3.96Å; L205-I308 HydrophobicContact CD2-CG2 4.1Å
206	F	95.4	Very high	92.8	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-99.9	6.9	-175.7	-54.7	-53.9	0	0	0	114.9	K202 E204 G208 I209 L215 L217 E234 A235 L238	K202-F206 HydrophobicContact CG-CD2 3.91Å; K202-F206 HydrophobicContact CG-CE2 4.08Å; K202-F206 WeakPolarHBondContact O-CD2 3.44Å; K202-F206 PolarHBondContact O-N 3.36Å; E204-F206 VanDerWaalsContact C-N 3.27Å; E204-F206 PolarHBondContact O-N 3.44Å; F206-G208 PolarHBondContact O-N 3.24Å; F206-I209 HydrophobicContact CD1-CD1 3.97Å; F206-I209 PolarHBondContact O-N 3.22Å; F206-L215 HydrophobicContact CB-CD1 4.4Å; F206-L215 HydrophobicContact CD1-CB 4.07Å; F206-L215 HydrophobicContact CD1-CD1 3.54Å; F206-L215 HydrophobicContact CD1-CG 4.47Å; F206-L215 HydrophobicContact CD2-CB 3.74Å; F206-L215 HydrophobicContact CE1-CB 4.01Å; F206-L215 HydrophobicContact CE1-CD1 3.86Å; F206-L215 HydrophobicContact CE2-CB 3.69Å; F206-L215 HydrophobicContact CG-CB 3.94Å; F206-L215 HydrophobicContact CG-CD1 3.95Å; F206-L215 HydrophobicContact CZ-CB 3.83Å; F206-L217 HydrophobicContact CE2-CD2 3.92Å; F206-L217 HydrophobicContact CZ-CD2 4.17Å; F206-E234 HydrophobicContact CE1-CB 4.41Å; F206-A235 HydrophobicContact CZ-CB 4.24Å; F206-L238 HydrophobicContact CD1-CD1 3.56Å; F206-L238 HydrophobicContact CE1-CD1 3.58Å
207	A	89.1	Confident	92.7	Very high	49 Å²	49	51.5 Å²	51.5	41%	0.405	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-24.3	-172.3	0	0	0	0	0	116.6	R104 F105 H203 E204	R104-A207 HydrophobicContact CB-CB 3.92Å; F105-A207 HydrophobicContact CD2-CB 3.77Å; F105-A207 HydrophobicContact CE2-CB 3.24Å; F105-A207 HydrophobicContact CZ-CB 4.12Å; H203-A207 WeakPolarHBondContact O-CA 3.34Å; H203-A207 PolarHBondContact O-N 2.86Å; E204-A207 WeakPolarHBondContact O-CB 3.19Å; E204-A207 PolarHBondContact O-N 3.41Å
208	G	84.7	Confident	92.7	Very high	58 Å²	58	54.9 Å²	54.9	60%	0.598	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	11.9	-176.6	0	0	0	0	0	114.6	F206	F206-G208 PolarHBondContact O-N 3.24Å
209	I	89.2	Confident	92.7	Very high	70 Å²	70	58.1 Å²	58.1	36%	0.359	32%	0.315	S	S	.	.	S	Bend	trans	-105.6	129.4	-176.7	-56.3	-178.7	0	0	0	109.3	F206 D211 G212 L215 L238	F206-I209 HydrophobicContact CD1-CD1 3.97Å; F206-I209 PolarHBondContact O-N 3.22Å; I209-D211 PolarHBondContact O-N 2.95Å; I209-G212 PolarHBondContact O-N 2.81Å; I209-G212 VanDerWaalsContact O-N 3.1Å; I209-L215 HydrophobicContact CD1-CD1 3.81Å; I209-L215 HydrophobicContact CG2-CD1 4.14Å; I209-L238 HydrophobicContact CD1-CD1 4Å
210	K	83.8	Confident	92.7	Very high	211 Å²	211	66.2 Å²	66.2	92%	0.917	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	122.2	171.1	-65.7	-177.7	179.6	-179.3	0	107.8
211	D	85.9	Confident	92.6	Very high	120 Å²	120	68.4 Å²	68.4	64%	0.642	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	29.8	-169.8	-160.4	47.2	0	0	0	115.4	I209 D213 S214	I209-D211 PolarHBondContact O-N 2.95Å; D211-D213 PolarHBondContact O-N 3.41Å; D211-D213 VanDerWaalsContact O-N 3.1Å; D211-S214 PolarHBondContact O-N 2.79Å; D211-S214 PolarHBondContact O-OG 2.87Å; D211-S214 PolarHBondContact OD2-OG 3.3Å
212	G	83.6	Confident	92.6	Very high	11 Å²	11	71.5 Å²	71.5	11%	0.113	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.7	177.6	0	0	0	0	0	115.6	I209 S214 L215	I209-G212 PolarHBondContact O-N 2.81Å; I209-G212 VanDerWaalsContact O-N 3.1Å; G212-S214 VanDerWaalsContact C-N 3.32Å; G212-S214 PolarHBondContact O-N 3.5Å; G212-L215 PolarHBondContact O-N 2.87Å
213	D	86.7	Confident	92.8	Very high	119 Å²	119	74.1 Å²	74.1	64%	0.636	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.6	179	-71	-34.5	0	0	0	113	K202 D211 L215	K202-D213 PolarHBondContact NZ-O 2.83Å; D211-D213 PolarHBondContact O-N 3.41Å; D211-D213 VanDerWaalsContact O-N 3.1Å; D213-L215 VanDerWaalsContact C-N 3.34Å
214	S	91.4	Very high	93.1	Very high	71 Å²	71	70.8 Å²	70.8	50%	0.497	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-26	176.8	66.5	0	0	0	0	112.4	D211 G212	D211-S214 PolarHBondContact O-N 2.79Å; D211-S214 PolarHBondContact O-OG 2.87Å; D211-S214 PolarHBondContact OD2-OG 3.3Å; G212-S214 VanDerWaalsContact C-N 3.32Å; G212-S214 PolarHBondContact O-N 3.5Å
215	L	95.6	Very high	93.3	Very high	41 Å²	41	74.8 Å²	74.8	22%	0.215	41%	0.414	C	S	.	.			trans	-69.6	149.6	177.2	-59.3	178.8	0	0	0	111.6	K202 F206 I209 G212 D213 E234	K202-L215 WeakPolarHBondContact CE-O 3.05Å; K202-L215 PolarHBondContact NZ-O 3.31Å; F206-L215 HydrophobicContact CB-CD1 4.4Å; F206-L215 HydrophobicContact CD1-CB 4.07Å; F206-L215 HydrophobicContact CD1-CD1 3.54Å; F206-L215 HydrophobicContact CD1-CG 4.47Å; F206-L215 HydrophobicContact CD2-CB 3.74Å; F206-L215 HydrophobicContact CE1-CB 4.01Å; F206-L215 HydrophobicContact CE1-CD1 3.86Å; F206-L215 HydrophobicContact CE2-CB 3.69Å; F206-L215 HydrophobicContact CG-CB 3.94Å; F206-L215 HydrophobicContact CG-CD1 3.95Å; F206-L215 HydrophobicContact CZ-CB 3.83Å; I209-L215 HydrophobicContact CD1-CD1 3.81Å; I209-L215 HydrophobicContact CG2-CD1 4.14Å; G212-L215 PolarHBondContact O-N 2.87Å; D213-L215 VanDerWaalsContact C-N 3.34Å; L215-E234 HydrophobicContact CD2-CG 4.3Å
216	Q	97.3	Very high	93.4	Very high	95 Å²	95	79.5 Å²	79.5	44%	0.444	44%	0.436	S	S	.	.			trans	-129.9	153	-180	-57.4	-63	-22.8	0	0	110.1	K202 T232	K202-Q216 VanDerWaalsContact NZ-CD 3.28Å; K202-Q216 VanDerWaalsContact NZ-OE1 3.11Å; Q216-T232 HydrophobicContact CB-CG2 4.31Å; Q216-T232 WeakPolarHBondContact O-CB 3.32Å; Q216-T232 VanDerWaalsContact O-CG2 3.24Å; Q216-T232 WeakPolarHBondContact O-CG2 3.35Å; Q216-T232 PolarHBondContact O-OG1 2.94Å
217	L	98.1	Very high	93.6	Very high	4 Å²	4	80 Å²	80	2%	0.021	44%	0.438	C	S	.	.	S	Bend	trans	-74.5	-36.5	168.9	-61.8	-175	0	0	0	111.4	K202 L205 F206 T232 A235 I308	K202-L217 HydrophobicContact CB-CD1 4.17Å; K202-L217 HydrophobicContact CB-CG 3.94Å; L205-L217 HydrophobicContact CB-CD2 4.35Å; L205-L217 HydrophobicContact CD2-CD2 3.55Å; F206-L217 HydrophobicContact CE2-CD2 3.92Å; F206-L217 HydrophobicContact CZ-CD2 4.17Å; L217-T232 PolarHBondContact O-N 3.07Å; L217-T232 PolarHBondContact O-OG1 2.76Å; L217-A235 HydrophobicContact CD2-CB 4.03Å; L217-I308 HydrophobicContact CD1-CB 4.42Å; L217-I308 HydrophobicContact CD1-CG2 4.04Å; L217-I308 HydrophobicContact CD2-CG2 3.78Å; L217-I308 HydrophobicContact CG-CG2 4.42Å
218	F	98.5	Very high	94	Very high	71 Å²	71	77.7 Å²	77.7	31%	0.311	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-121.4	145.2	-166.1	-50.6	-57	0	0	0	113.2	T230 H231 Q296 Q305 R307	F218-T230 CarbonylContact C-O 3.6Å; F218-T230 WeakPolarHBondContact CA-O 3.44Å; F218-H231 AromaticContact CD1-CD2 3.9Å; F218-H231 AromaticContact CE1-CD2 3.87Å; F218-Q296 VanDerWaalsContact CE1-CD 3.44Å; F218-Q296 HydrophobicContact CE1-CG 4.04Å; F218-Q305 VanDerWaalsContact CE2-O 3.26Å; F218-Q305 WeakPolarHBondContact CE2-O 3.32Å; F218-R307 WeakPolarHBondContact CZ-O 3.45Å
219	E	98	Very high	94.7	Very high	72 Å²	72	78.2 Å²	78.2	34%	0.336	41%	0.406	S	S	.	.			trans	-142.2	-178.4	172.6	64.4	-177.9	-165.3	0	0	110.2	S221 K227 T230 T232	E219-S221 WeakPolarHBondContact OE1-CB 3.38Å; E219-S221 PolarHBondContact OE1-OG 2.69Å; E219-K227 WeakPolarHBondContact OE1-CE 3.41Å; E219-K227 IonicContact OE1-NZ 2.67Å; E219-K227 PolarHBondContact OE1-NZ 2.59Å; E219-T230 PolarHBondContact N-O 3.02Å; E219-T230 CarbonylContact O-C 3.57Å; E219-T230 VanDerWaalsContact O-CA 3.3Å; E219-T230 WeakPolarHBondContact O-CA 3.49Å; E219-T232 HydrophobicContact CB-CG2 4Å; E219-T232 HydrophobicContact CG-CG2 4.07Å
220	Q	97.8	Very high	95.1	Very high	170 Å²	170	76.3 Å²	76.3	79%	0.794	40%	0.397	S	S	*	.			trans	-121.4	106.3	170	-70.5	-65.5	-30.8	0	0	108
221	S	97.3	Very high	95.8	Very high	52 Å²	52	66.2 Å²	66.2	36%	0.364	35%	0.354	S	S	.	.			trans	-146.5	-157.4	-171.4	72.5	0	0	0	0	110.9	E219 K227 E229	E219-S221 WeakPolarHBondContact OE1-CB 3.38Å; E219-S221 PolarHBondContact OE1-OG 2.69Å; S221-K227 PolarHBondContact OG-NZ 3.08Å; S221-E229 CarbonylContact C-O 3.42Å; S221-E229 PolarHBondContact N-O 2.86Å; S221-E229 PolarHBondContact OG-O 3.1Å
222	S	97.5	Very high	96.5	Very high	91 Å²	91	60.9 Å²	60.9	64%	0.636	33%	0.325	S	S	*	.			trans	-108	149.3	173.1	57.9	0	0	0	0	112.1
223	R	98.6	Very high	97.2	Very high	97 Å²	97	63.3 Å²	63.3	37%	0.366	34%	0.335	S	S	.	.			trans	-68.3	137.7	169.4	179.8	169.3	-72.2	-118	3.4	109.7	E229 H272 E295	R223-E229 HydrophobicContact CB-CB 4.23Å; R223-E229 IonicContact CZ-OE2 3.37Å; R223-E229 IonicContact NE-OE2 2.84Å; R223-E229 PolarHBondContact NE-OE2 2.9Å; R223-E229 IonicContact NH2-OE1 3.87Å; R223-E229 IonicContact NH2-OE2 3.03Å; R223-E229 PolarHBondContact NH2-OE2 3.33Å; R223-H272 PolarHBondContact NH1-CD2 2.88Å; R223-E295 IonicContact CZ-OE1 3.27Å; R223-E295 VanDerWaalsContact CZ-OE1 3.27Å; R223-E295 IonicContact CZ-OE2 3.77Å; R223-E295 IonicContact NH1-OE1 2.67Å; R223-E295 PolarHBondContact NH1-OE1 3.2Å; R223-E295 IonicContact NH1-OE2 3.9Å; R223-E295 VanDerWaalsContact NH2-CD 3.3Å; R223-E295 IonicContact NH2-OE1 3.02Å; R223-E295 PolarHBondContact NH2-OE1 3.37Å; R223-E295 IonicContact NH2-OE2 2.77Å; R223-E295 PolarHBondContact NH2-OE2 3.47Å
224	S	98.1	Very high	97.7	Very high	47 Å²	47	62.4 Å²	62.4	33%	0.329	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-131.4	177.5	174.3	71.1	0	0	0	0	109.8	H226 K227 H272	S224-H226 PolarHBondContact O-N 3.26Å; S224-H226 VanDerWaalsContact O-N 3.08Å; S224-H226 PolarHBondContact OG-N 3.14Å; S224-K227 PolarHBondContact N-O 2.93Å; S224-K227 PolarHBondContact O-N 2.83Å; S224-K227 VanDerWaalsContact O-O 3.09Å; S224-K227 PolarHBondContact OG-N 2.82Å; S224-H272 PolarHBondContact O-CE1 3.37Å; S224-H272 VanDerWaalsContact O-CE1 3.22Å; S224-H272 PolarHBondContact O-NE2 3.38Å
225	V	97.4	Very high	98	Very high	108 Å²	108	59 Å²	59	66%	0.655	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.1	173.7	-177.8	0	0	0	0	112.1
226	H	97.8	Very high	98.2	Very high	107 Å²	107	57.1 Å²	57.1	50%	0.495	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-15.9	-172.7	-55.7	-51.3	0	0	0	115	S224 M233 V236	S224-H226 PolarHBondContact O-N 3.26Å; S224-H226 VanDerWaalsContact O-N 3.08Å; S224-H226 PolarHBondContact OG-N 3.14Å; H226-M233 HydrophobicContact CB-CE 3.94Å; H226-M233 HydrophobicContact CB-SD 4.32Å; H226-V236 WeakPolarHBondContact O-CG1 3.48Å
227	K	98.6	Very high	98.2	Very high	17 Å²	17	57 Å²	57	7%	0.074	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-159	158.9	-176.4	69.8	178.9	-161.9	83.7	0	113.5	E219 S221 S224 H231 M233 V236 H272	E219-K227 WeakPolarHBondContact OE1-CE 3.41Å; E219-K227 IonicContact OE1-NZ 2.67Å; E219-K227 PolarHBondContact OE1-NZ 2.59Å; S221-K227 PolarHBondContact OG-NZ 3.08Å; S224-K227 PolarHBondContact N-O 2.93Å; S224-K227 PolarHBondContact O-N 2.83Å; S224-K227 VanDerWaalsContact O-O 3.09Å; S224-K227 PolarHBondContact OG-N 2.82Å; K227-H231 WeakPolarHBondContact CD-O 3.41Å; K227-H231 PolarHBondContact NZ-O 3.24Å; K227-M233 HydrophobicContact CB-CE 4.5Å; K227-M233 HydrophobicContact CD-CB 4.19Å; K227-M233 HydrophobicContact CD-CE 3.68Å; K227-M233 HydrophobicContact CD-SD 4.23Å; K227-M233 HydrophobicContact CG-CE 4.05Å; K227-V236 HydrophobicContact CB-CB 4.4Å; K227-V236 HydrophobicContact CB-CG1 4.45Å; K227-V236 HydrophobicContact CB-CG2 3.87Å; K227-H272 VanDerWaalsContact C-CD2 3.48Å; K227-H272 PolarHBondContact O-CD2 3Å; K227-H272 PolarHBondContact O-NE2 2.92Å
228	Q	98.8	Very high	98.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.3	C	S	.	.			trans	-74.2	160.2	169.9	-57.2	174.5	29.8	0	0	111	T230 H231 H272 M294 E295	Q228-T230 PolarHBondContact O-N 3.47Å; Q228-H231 PolarHBondContact NE2-CE1 3.21Å; Q228-H231 PolarHBondContact O-N 2.95Å; Q228-H231 PolarHBondContact OE1-CE1 2.86Å; Q228-H231 VanDerWaalsContact OE1-CE1 3.31Å; Q228-H272 HydrophobicContact CG-CB 3.96Å; Q228-H272 WeakPolarHBondContact CG-O 3.43Å; Q228-H272 PolarHBondContact NE2-O 2.76Å; Q228-M294 PolarHBondContact NE2-O 3.09Å; Q228-E295 PolarHBondContact OE1-OE2 3.21Å
229	E	98.6	Very high	98.2	Very high	69 Å²	69	55.4 Å²	55.4	32%	0.322	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.6	-177.6	65	-69.4	160.3	0	0	113.9	S221 R223	S221-E229 CarbonylContact C-O 3.42Å; S221-E229 PolarHBondContact N-O 2.86Å; S221-E229 PolarHBondContact OG-O 3.1Å; R223-E229 HydrophobicContact CB-CB 4.23Å; R223-E229 IonicContact CZ-OE2 3.37Å; R223-E229 IonicContact NE-OE2 2.84Å; R223-E229 PolarHBondContact NE-OE2 2.9Å; R223-E229 IonicContact NH2-OE1 3.87Å; R223-E229 IonicContact NH2-OE2 3.03Å; R223-E229 PolarHBondContact NH2-OE2 3.33Å
230	T	98.6	Very high	98.2	Very high	29 Å²	29	53.3 Å²	53.3	18%	0.178	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-7.2	-179.8	58	0	0	0	0	114.6	F218 E219 Q228	F218-T230 CarbonylContact C-O 3.6Å; F218-T230 WeakPolarHBondContact CA-O 3.44Å; E219-T230 PolarHBondContact N-O 3.02Å; E219-T230 CarbonylContact O-C 3.57Å; E219-T230 VanDerWaalsContact O-CA 3.3Å; E219-T230 WeakPolarHBondContact O-CA 3.49Å; Q228-T230 PolarHBondContact O-N 3.47Å
231	H	98.8	Very high	98.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-95.3	141	179.4	-65.1	160.6	0	0	0	111.9	F218 K227 Q228 V236 Q296	F218-H231 AromaticContact CD1-CD2 3.9Å; F218-H231 AromaticContact CE1-CD2 3.87Å; K227-H231 WeakPolarHBondContact CD-O 3.41Å; K227-H231 PolarHBondContact NZ-O 3.24Å; Q228-H231 PolarHBondContact NE2-CE1 3.21Å; Q228-H231 PolarHBondContact O-N 2.95Å; Q228-H231 PolarHBondContact OE1-CE1 2.86Å; Q228-H231 VanDerWaalsContact OE1-CE1 3.31Å; H231-V236 HydrophobicContact CB-CG2 3.58Å; H231-Q296 PolarHBondContact NE2-OE1 3.12Å
232	T	98.6	Very high	98.3	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.043	25%	0.252	C	S	.	.			trans	-70.8	151.8	166.7	64	0	0	0	0	110.5	Q216 L217 E219 E234 A235 V236	Q216-T232 HydrophobicContact CB-CG2 4.31Å; Q216-T232 WeakPolarHBondContact O-CB 3.32Å; Q216-T232 VanDerWaalsContact O-CG2 3.24Å; Q216-T232 WeakPolarHBondContact O-CG2 3.35Å; Q216-T232 PolarHBondContact O-OG1 2.94Å; L217-T232 PolarHBondContact O-N 3.07Å; L217-T232 PolarHBondContact O-OG1 2.76Å; E219-T232 HydrophobicContact CB-CG2 4Å; E219-T232 HydrophobicContact CG-CG2 4.07Å; T232-E234 VanDerWaalsContact C-N 3.27Å; T232-E234 WeakPolarHBondContact CB-OE2 3.32Å; T232-E234 PolarHBondContact O-N 2.85Å; T232-A235 PolarHBondContact O-N 2.86Å; T232-A235 VanDerWaalsContact OG1-CB 3.26Å; T232-A235 WeakPolarHBondContact OG1-CB 3.43Å; T232-A235 PolarHBondContact OG1-N 3.05Å; T232-V236 WeakPolarHBondContact O-CG2 3.39Å; T232-V236 PolarHBondContact O-N 3.12Å
233	M	98.5	Very high	98.3	Very high	63 Å²	63	45.4 Å²	45.4	31%	0.31	22%	0.222	S	C	.	.	H	α-helix	trans	-66.2	-34.8	178.8	-173.1	60.9	77.5	0	0	111.5	H226 K227 V236 K237	H226-M233 HydrophobicContact CB-CE 3.94Å; H226-M233 HydrophobicContact CB-SD 4.32Å; K227-M233 HydrophobicContact CB-CE 4.5Å; K227-M233 HydrophobicContact CD-CB 4.19Å; K227-M233 HydrophobicContact CD-CE 3.68Å; K227-M233 HydrophobicContact CD-SD 4.23Å; K227-M233 HydrophobicContact CG-CE 4.05Å; M233-V236 PolarHBondContact O-N 3.05Å; M233-K237 HydrophobicContact CG-CG 4.29Å; M233-K237 WeakPolarHBondContact O-CB 3.35Å; M233-K237 VanDerWaalsContact O-CG 3.31Å; M233-K237 WeakPolarHBondContact O-CG 3.41Å; M233-K237 PolarHBondContact O-N 2.94Å; M233-K237 HydrophobicContact SD-CG 4.26Å
234	E	97.7	Very high	98.3	Very high	100 Å²	100	42.7 Å²	42.7	47%	0.467	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-46.6	179.2	-62.1	71.4	-155.6	0	0	110.8	F206 L215 T232 K237 L238	F206-E234 HydrophobicContact CE1-CB 4.41Å; L215-E234 HydrophobicContact CD2-CG 4.3Å; T232-E234 VanDerWaalsContact C-N 3.27Å; T232-E234 WeakPolarHBondContact CB-OE2 3.32Å; T232-E234 PolarHBondContact O-N 2.85Å; E234-K237 PolarHBondContact O-N 2.88Å; E234-L238 WeakPolarHBondContact O-CG 3.37Å; E234-L238 PolarHBondContact O-N 2.83Å
235	A	98.4	Very high	98.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-47.7	178.1	0	0	0	0	0	111.3	L205 F206 L217 T232 K237 L238 V239 I308	L205-A235 HydrophobicContact CD2-CB 3.85Å; F206-A235 HydrophobicContact CZ-CB 4.24Å; L217-A235 HydrophobicContact CD2-CB 4.03Å; T232-A235 PolarHBondContact O-N 2.86Å; T232-A235 VanDerWaalsContact OG1-CB 3.26Å; T232-A235 WeakPolarHBondContact OG1-CB 3.43Å; T232-A235 PolarHBondContact OG1-N 3.05Å; A235-K237 VanDerWaalsContact C-N 3.33Å; A235-K237 PolarHBondContact O-N 3.12Å; A235-L238 PolarHBondContact O-N 2.93Å; A235-V239 WeakPolarHBondContact O-CG2 3.37Å; A235-V239 PolarHBondContact O-N 3.18Å; A235-I308 HydrophobicContact CB-CD1 4.08Å
236	V	98.7	Very high	98.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-43.3	179.8	174.3	0	0	0	0	111.5	H226 K227 H231 T232 M233 L238 V239 E240 P273 V293	H226-V236 WeakPolarHBondContact O-CG1 3.48Å; K227-V236 HydrophobicContact CB-CB 4.4Å; K227-V236 HydrophobicContact CB-CG1 4.45Å; K227-V236 HydrophobicContact CB-CG2 3.87Å; H231-V236 HydrophobicContact CB-CG2 3.58Å; T232-V236 WeakPolarHBondContact O-CG2 3.39Å; T232-V236 PolarHBondContact O-N 3.12Å; M233-V236 PolarHBondContact O-N 3.05Å; V236-L238 VanDerWaalsContact C-N 3.33Å; V236-L238 PolarHBondContact O-N 3.18Å; V236-V239 PolarHBondContact O-N 3.22Å; V236-E240 WeakPolarHBondContact O-CB 3.19Å; V236-E240 PolarHBondContact O-N 2.85Å; V236-P273 HydrophobicContact CG1-CG 4.06Å; V236-V293 HydrophobicContact CG1-CG2 4.3Å
237	K	98.4	Very high	98.2	Very high	94 Å²	94	33.8 Å²	33.8	41%	0.409	16%	0.16	S	C	.	.	H	α-helix	trans	-65.1	-35.7	-179.8	-72.5	-71	157.3	-151.4	0	113	M233 E234 A235 E240 F241	M233-K237 HydrophobicContact CG-CG 4.29Å; M233-K237 WeakPolarHBondContact O-CB 3.35Å; M233-K237 VanDerWaalsContact O-CG 3.31Å; M233-K237 WeakPolarHBondContact O-CG 3.41Å; M233-K237 PolarHBondContact O-N 2.94Å; M233-K237 HydrophobicContact SD-CG 4.26Å; E234-K237 PolarHBondContact O-N 2.88Å; A235-K237 VanDerWaalsContact C-N 3.33Å; A235-K237 PolarHBondContact O-N 3.12Å; K237-E240 IonicContact NZ-OE2 2.81Å; K237-E240 PolarHBondContact NZ-OE2 3.43Å; K237-F241 VanDerWaalsContact O-CB 3.26Å; K237-F241 WeakPolarHBondContact O-CB 3.21Å; K237-F241 PolarHBondContact O-N 3.49Å
238	L	97.8	Very high	98.1	Very high	41 Å²	41	35.8 Å²	35.8	22%	0.215	17%	0.173	C	C	.	.	H	α-helix	trans	-73	-41.3	176.1	-67.7	175.8	0	0	0	112.3	L205 F206 I209 E234 A235 V236 F241 D242	L205-L238 HydrophobicContact CD1-CB 3.75Å; L205-L238 HydrophobicContact CD2-CB 4.36Å; L205-L238 HydrophobicContact CG-CB 3.99Å; L205-L238 HydrophobicContact CG-CD1 4.05Å; F206-L238 HydrophobicContact CD1-CD1 3.56Å; F206-L238 HydrophobicContact CE1-CD1 3.58Å; I209-L238 HydrophobicContact CD1-CD1 4Å; E234-L238 WeakPolarHBondContact O-CG 3.37Å; E234-L238 PolarHBondContact O-N 2.83Å; A235-L238 PolarHBondContact O-N 2.93Å; V236-L238 VanDerWaalsContact C-N 3.33Å; V236-L238 PolarHBondContact O-N 3.18Å; L238-F241 PolarHBondContact O-N 2.97Å; L238-D242 PolarHBondContact O-N 3.45Å
239	V	98.6	Very high	97.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.6	-43.6	176.7	175.1	0	0	0	0	110.9	F200 L205 A235 V236 F241 D242 L243 V293 I308 W310	F200-V239 HydrophobicContact CD2-CG2 4.2Å; F200-V239 HydrophobicContact CE2-CG1 4.5Å; F200-V239 HydrophobicContact CE2-CG2 4.46Å; L205-V239 HydrophobicContact CD1-CG2 3.89Å; L205-V239 HydrophobicContact CD2-CG2 3.96Å; A235-V239 WeakPolarHBondContact O-CG2 3.37Å; A235-V239 PolarHBondContact O-N 3.18Å; V236-V239 PolarHBondContact O-N 3.22Å; V239-F241 VanDerWaalsContact C-N 3.33Å; V239-F241 PolarHBondContact O-N 3.36Å; V239-D242 PolarHBondContact O-N 3.28Å; V239-L243 WeakPolarHBondContact O-CB 3.09Å; V239-L243 PolarHBondContact O-N 3.09Å; V239-V293 HydrophobicContact CB-CG2 4.39Å; V239-V293 HydrophobicContact CG1-CG1 4.33Å; V239-V293 HydrophobicContact CG1-CG2 3.9Å; V239-I308 HydrophobicContact CG2-CD1 4.16Å; V239-I308 HydrophobicContact CG2-CG1 4.24Å; V239-I308 HydrophobicContact CG2-CG2 3.84Å; V239-W310 HydrophobicContact CG1-CB 3.84Å; V239-W310 HydrophobicContact CG1-CG 4.29Å
240	E	98.6	Very high	97.8	Very high	28 Å²	28	38.3 Å²	38.3	13%	0.131	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-44.7	174.5	-176.1	-170	163.7	0	0	111.1	V236 K237 L243 K244 F275	V236-E240 WeakPolarHBondContact O-CB 3.19Å; V236-E240 PolarHBondContact O-N 2.85Å; K237-E240 IonicContact NZ-OE2 2.81Å; K237-E240 PolarHBondContact NZ-OE2 3.43Å; E240-L243 PolarHBondContact O-N 3.44Å; E240-K244 HydrophobicContact CG-CD 4.15Å; E240-K244 WeakPolarHBondContact O-CB 3.42Å; E240-K244 WeakPolarHBondContact O-CG 3.37Å; E240-K244 PolarHBondContact O-N 2.95Å; E240-K244 IonicContact OE1-NZ 2.77Å; E240-K244 PolarHBondContact OE1-NZ 3.12Å; E240-F275 HydrophobicContact CG-CE2 3.85Å; E240-F275 HydrophobicContact CG-CZ 3.88Å
241	F	97.9	Very high	97.5	Very high	119 Å²	119	37.3 Å²	37.3	52%	0.522	17%	0.174	S	C	.	.	H	α-helix	trans	-62.7	-46.6	177.3	177.4	-91.7	0	0	0	111.9	K237 L238 V239 Q245	K237-F241 VanDerWaalsContact O-CB 3.26Å; K237-F241 WeakPolarHBondContact O-CB 3.21Å; K237-F241 PolarHBondContact O-N 3.49Å; L238-F241 PolarHBondContact O-N 2.97Å; V239-F241 VanDerWaalsContact C-N 3.33Å; V239-F241 PolarHBondContact O-N 3.36Å; F241-Q245 HydrophobicContact CE1-CB 4.48Å; F241-Q245 WeakPolarHBondContact O-CB 3.38Å; F241-Q245 PolarHBondContact O-N 2.87Å
242	D	97.9	Very high	97.3	Very high	28 Å²	28	38.9 Å²	38.9	15%	0.15	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-46.1	178.1	-169.4	92.6	0	0	0	111.3	Y101 F200 L238 V239 T246 W310	Y101-D242 PolarHBondContact OH-OD1 3.09Å; Y101-D242 PolarHBondContact OH-OD2 3.21Å; F200-D242 HydrophobicContact CZ-CB 4.08Å; F200-D242 WeakPolarHBondContact CZ-OD2 3.31Å; L238-D242 PolarHBondContact O-N 3.45Å; V239-D242 PolarHBondContact O-N 3.28Å; D242-T246 VanDerWaalsContact O-CB 3.24Å; D242-T246 WeakPolarHBondContact O-CB 3.21Å; D242-T246 PolarHBondContact O-N 3.49Å; D242-T246 PolarHBondContact O-OG1 2.9Å; D242-W310 PolarHBondContact OD2-NE1 2.92Å
243	L	98.4	Very high	97	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-56.7	176.7	173.3	61.7	0	0	0	111.8	V239 E240 Q245 T246 L247 C291 W310 F312	V239-L243 WeakPolarHBondContact O-CB 3.09Å; V239-L243 PolarHBondContact O-N 3.09Å; E240-L243 PolarHBondContact O-N 3.44Å; L243-Q245 PolarHBondContact O-N 2.82Å; L243-T246 PolarHBondContact O-N 2.83Å; L243-L247 HydrophobicContact CD1-CD1 3.69Å; L243-L247 HydrophobicContact CD1-CG 4.26Å; L243-L247 HydrophobicContact CG-CD1 4.21Å; L243-L247 PolarHBondContact O-N 2.85Å; L243-C291 HydrophobicContact CD1-CB 4.12Å; L243-C291 HydrophobicContact CD2-CB 3.99Å; L243-C291 HydrophobicContact CG-CB 4.45Å; L243-W310 HydrophobicContact CB-CB 3.97Å; L243-W310 HydrophobicContact CB-CD2 4.29Å; L243-W310 HydrophobicContact CB-CG 3.81Å; L243-W310 HydrophobicContact CD1-CB 4.08Å; L243-W310 HydrophobicContact CD1-CD2 3.79Å; L243-W310 HydrophobicContact CD1-CE3 3.68Å; L243-W310 HydrophobicContact CD1-CG 3.98Å; L243-W310 HydrophobicContact CD1-CZ3 4.39Å; L243-W310 HydrophobicContact CD2-CB 4.03Å; L243-W310 HydrophobicContact CG-CB 4.24Å; L243-W310 HydrophobicContact CG-CG 4.35Å; L243-F312 HydrophobicContact CD1-CB 4.47Å; L243-F312 HydrophobicContact CD1-CD1 4.07Å
244	K	98	Very high	96.8	Very high	39 Å²	39	38.2 Å²	38.2	17%	0.17	18%	0.183	C	C	.	.	H	α-helix	trans	-65.1	-40.8	-176.4	-72.4	-176.2	174.1	167.9	0	111.3	E240 L247 T248 W263	E240-K244 HydrophobicContact CG-CD 4.15Å; E240-K244 WeakPolarHBondContact O-CB 3.42Å; E240-K244 WeakPolarHBondContact O-CG 3.37Å; E240-K244 PolarHBondContact O-N 2.95Å; E240-K244 IonicContact OE1-NZ 2.77Å; E240-K244 PolarHBondContact OE1-NZ 3.12Å; K244-L247 PolarHBondContact O-N 2.94Å; K244-T248 WeakPolarHBondContact O-CB 3.32Å; K244-T248 PolarHBondContact O-N 3.21Å; K244-T248 PolarHBondContact O-OG1 2.8Å; K244-W263 HydrophobicContact CB-CH2 4.28Å; K244-W263 HydrophobicContact CB-CZ2 3.75Å; K244-W263 HydrophobicContact CD-CD2 4.05Å; K244-W263 HydrophobicContact CD-CG 4.26Å; K244-W263 HydrophobicContact CD-CZ2 4.47Å; K244-W263 HydrophobicContact CG-CD2 4.07Å; K244-W263 HydrophobicContact CG-CE3 4.28Å; K244-W263 HydrophobicContact CG-CH2 3.96Å; K244-W263 HydrophobicContact CG-CZ2 3.72Å; K244-W263 HydrophobicContact CG-CZ3 4.23Å
245	Q	96.8	Very high	96.5	Very high	68 Å²	68	35.2 Å²	35.2	32%	0.318	17%	0.168	S	C	.	.	H	α-helix	trans	-62	-44.5	176.1	178.9	171.4	69.4	0	0	111.6	F241 L243 T248 R249	F241-Q245 HydrophobicContact CE1-CB 4.48Å; F241-Q245 WeakPolarHBondContact O-CB 3.38Å; F241-Q245 PolarHBondContact O-N 2.87Å; L243-Q245 PolarHBondContact O-N 2.82Å; Q245-T248 PolarHBondContact O-N 3.35Å; Q245-R249 WeakPolarHBondContact O-CB 3.39Å; Q245-R249 VanDerWaalsContact O-CG 3.31Å; Q245-R249 WeakPolarHBondContact O-CG 3.29Å; Q245-R249 PolarHBondContact O-N 3.32Å
246	T	96.9	Very high	96	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.043	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-49.5	178.7	-61.7	0	0	0	0	110.9	F97 Y101 D242 L243 R249 L250	F97-T246 HydrophobicContact CE1-CG2 3.77Å; F97-T246 HydrophobicContact CZ-CG2 3.99Å; Y101-T246 HydrophobicContact CD2-CG2 3.93Å; Y101-T246 HydrophobicContact CE2-CG2 4.18Å; Y101-T246 WeakPolarHBondContact CE2-OG1 3.23Å; D242-T246 VanDerWaalsContact O-CB 3.24Å; D242-T246 WeakPolarHBondContact O-CB 3.21Å; D242-T246 PolarHBondContact O-N 3.49Å; D242-T246 PolarHBondContact O-OG1 2.9Å; L243-T246 PolarHBondContact O-N 2.83Å; T246-R249 PolarHBondContact O-N 3.14Å; T246-L250 WeakPolarHBondContact O-CB 3.44Å; T246-L250 PolarHBondContact O-N 3.38Å
247	L	97.3	Very high	95.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-40.5	179.7	-74.1	175	0	0	0	113	L243 K244 R249 L250 V251 W263 L289 C291 F312	L243-L247 HydrophobicContact CD1-CD1 3.69Å; L243-L247 HydrophobicContact CD1-CG 4.26Å; L243-L247 HydrophobicContact CG-CD1 4.21Å; L243-L247 PolarHBondContact O-N 2.85Å; K244-L247 PolarHBondContact O-N 2.94Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 2.87Å; L247-L250 HydrophobicContact CD2-CD2 4.38Å; L247-L250 PolarHBondContact O-N 2.78Å; L247-V251 WeakPolarHBondContact O-CG2 3.19Å; L247-V251 PolarHBondContact O-N 2.78Å; L247-W263 HydrophobicContact CB-CH2 3.73Å; L247-W263 HydrophobicContact CB-CZ2 4.31Å; L247-W263 HydrophobicContact CD1-CH2 3.7Å; L247-W263 HydrophobicContact CD1-CZ3 4.1Å; L247-W263 HydrophobicContact CG-CH2 4.37Å; L247-L289 HydrophobicContact CD1-CD1 3.78Å; L247-L289 HydrophobicContact CD1-CD2 4.25Å; L247-L289 HydrophobicContact CD2-CD2 3.68Å; L247-L289 HydrophobicContact CG-CD2 4.48Å; L247-C291 HydrophobicContact CD1-CB 4.05Å; L247-F312 HydrophobicContact CD1-CB 4.22Å; L247-F312 HydrophobicContact CD1-CD1 4.19Å; L247-F312 HydrophobicContact CD1-CG 4.3Å; L247-F312 HydrophobicContact CD2-CD1 3.62Å; L247-F312 HydrophobicContact CD2-CD2 4Å; L247-F312 HydrophobicContact CD2-CE1 3.61Å; L247-F312 HydrophobicContact CD2-CE2 4.04Å; L247-F312 HydrophobicContact CD2-CG 3.82Å; L247-F312 HydrophobicContact CD2-CZ 3.83Å; L247-F312 HydrophobicContact CG-CD1 4.08Å; L247-F312 HydrophobicContact CG-CE1 4.3Å; L247-F312 HydrophobicContact CG-CG 4.48Å
248	T	95.8	Very high	94.5	Very high	58 Å²	58	42.9 Å²	42.9	36%	0.356	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-41.8	174.3	-64.3	0	0	0	0	111.5	K244 Q245 V251 A252 I261	K244-T248 WeakPolarHBondContact O-CB 3.32Å; K244-T248 PolarHBondContact O-N 3.21Å; K244-T248 PolarHBondContact O-OG1 2.8Å; Q245-T248 PolarHBondContact O-N 3.35Å; T248-V251 PolarHBondContact O-N 2.78Å; T248-A252 WeakPolarHBondContact O-CB 3.41Å; T248-A252 PolarHBondContact O-N 2.73Å; T248-I261 HydrophobicContact CG2-CD1 4.09Å
249	R	95.6	Very high	94	Very high	118 Å²	118	43.5 Å²	43.5	45%	0.445	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-38.1	175.8	-72.4	178.4	-179.7	-178.1	4.8	112.4	Q245 T246 L247 A252 H253	Q245-R249 WeakPolarHBondContact O-CB 3.39Å; Q245-R249 VanDerWaalsContact O-CG 3.31Å; Q245-R249 WeakPolarHBondContact O-CG 3.29Å; Q245-R249 PolarHBondContact O-N 3.32Å; T246-R249 PolarHBondContact O-N 3.14Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 2.87Å; R249-A252 PolarHBondContact O-N 3.47Å; R249-H253 WeakPolarHBondContact O-CB 3.21Å; R249-H253 PolarHBondContact O-N 2.86Å
250	L	95.6	Very high	93.7	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-46.8	175.5	176.3	61.5	0	0	0	111	V93 H96 T246 L247 H253 L254 F312 L314	V93-L250 HydrophobicContact CB-CD1 4.39Å; V93-L250 HydrophobicContact CG1-CD1 4.31Å; V93-L250 HydrophobicContact CG1-CD2 4.27Å; V93-L250 HydrophobicContact CG2-CD1 4.04Å; V93-L250 HydrophobicContact CG2-CD2 4.43Å; H96-L250 HydrophobicContact CB-CD1 3.81Å; T246-L250 WeakPolarHBondContact O-CB 3.44Å; T246-L250 PolarHBondContact O-N 3.38Å; L247-L250 HydrophobicContact CD2-CD2 4.38Å; L247-L250 PolarHBondContact O-N 2.78Å; L250-H253 WeakPolarHBondContact O-CB 3.3Å; L250-H253 PolarHBondContact O-N 3.44Å; L250-L254 HydrophobicContact CD1-CD1 4.1Å; L250-L254 HydrophobicContact CD1-CG 4.21Å; L250-L254 HydrophobicContact CG-CD1 4.16Å; L250-L254 WeakPolarHBondContact O-CG 3.5Å; L250-L254 PolarHBondContact O-N 3.19Å; L250-F312 HydrophobicContact CD2-CZ 4.49Å; L250-L314 HydrophobicContact CD2-CD2 4.37Å
251	V	94.1	Very high	93.6	Very high	8 Å²	8	50.1 Å²	50.1	5%	0.048	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-45.8	176.4	172.8	0	0	0	0	111.2	L247 T248 H253 L254 F255 L259 I261 M277	L247-V251 WeakPolarHBondContact O-CG2 3.19Å; L247-V251 PolarHBondContact O-N 2.78Å; T248-V251 PolarHBondContact O-N 2.78Å; V251-H253 VanDerWaalsContact C-N 3.28Å; V251-H253 PolarHBondContact O-N 2.86Å; V251-L254 PolarHBondContact O-N 3.46Å; V251-L254 VanDerWaalsContact O-N 3.14Å; V251-F255 HydrophobicContact CG1-CD2 3.88Å; V251-F255 HydrophobicContact CG1-CE2 4.49Å; V251-F255 WeakPolarHBondContact O-CD2 3.22Å; V251-F255 PolarHBondContact O-N 3.09Å; V251-L259 HydrophobicContact CG1-CD2 3.51Å; V251-I261 HydrophobicContact CG1-CG2 4.09Å; V251-M277 HydrophobicContact CG2-CE 3.23Å; V251-M277 HydrophobicContact CG2-SD 3.74Å
252	A	93.5	Very high	93.6	Very high	33 Å²	33	49.4 Å²	49.4	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-38	176.3	0	0	0	0	0	112.1	T248 R249 G256	T248-A252 WeakPolarHBondContact O-CB 3.41Å; T248-A252 PolarHBondContact O-N 2.73Å; R249-A252 PolarHBondContact O-N 3.47Å; A252-G256 CarbonylContact O-C 3.6Å; A252-G256 WeakPolarHBondContact O-CA 3.3Å; A252-G256 PolarHBondContact O-N 3.14Å
253	H	92.9	Very high	93.6	Very high	49 Å²	49	51.2 Å²	51.2	23%	0.227	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-41.5	174.1	171.3	71.1	0	0	0	112.1	R92 R249 L250 V251 D349	R92-H253 PolarHBondContact NH2-O 2.85Å; R249-H253 WeakPolarHBondContact O-CB 3.21Å; R249-H253 PolarHBondContact O-N 2.86Å; L250-H253 WeakPolarHBondContact O-CB 3.3Å; L250-H253 PolarHBondContact O-N 3.44Å; V251-H253 VanDerWaalsContact C-N 3.28Å; V251-H253 PolarHBondContact O-N 2.86Å; H253-D349 IonicContact CE1-OD1 2.68Å; H253-D349 PolarHBondContact CE1-OD1 3Å; H253-D349 IonicContact CE1-OD2 2.88Å; H253-D349 IonicContact NE2-OD1 3.54Å
254	L	93.7	Very high	93.6	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-73.1	-48.1	-178.3	-69.7	176.6	0	0	0	113	R92 V93 L250 V251 L319 L323	R92-L254 HydrophobicContact CB-CD2 3.69Å; R92-L254 PolarHBondContact NH1-O 3.24Å; V93-L254 HydrophobicContact CG2-CD1 4.32Å; L250-L254 HydrophobicContact CD1-CD1 4.1Å; L250-L254 HydrophobicContact CD1-CG 4.21Å; L250-L254 HydrophobicContact CG-CD1 4.16Å; L250-L254 WeakPolarHBondContact O-CG 3.5Å; L250-L254 PolarHBondContact O-N 3.19Å; V251-L254 PolarHBondContact O-N 3.46Å; V251-L254 VanDerWaalsContact O-N 3.14Å; L254-L319 HydrophobicContact CD1-CD2 3.62Å; L254-L323 VanDerWaalsContact O-CD1 3.27Å; L254-L323 WeakPolarHBondContact O-CD1 3.27Å
255	F	91.2	Very high	93.6	Very high	37 Å²	37	57.3 Å²	57.3	16%	0.162	31%	0.306	C	S	.	.	H	α-helix	trans	-99.7	-20	-171.3	-67.2	-95.2	0	0	0	113.7	V251 L259 I279 L319 I322 L323	V251-F255 HydrophobicContact CG1-CD2 3.88Å; V251-F255 HydrophobicContact CG1-CE2 4.49Å; V251-F255 WeakPolarHBondContact O-CD2 3.22Å; V251-F255 PolarHBondContact O-N 3.09Å; F255-L259 HydrophobicContact CB-CD2 3.89Å; F255-L259 HydrophobicContact CD1-CD2 3.97Å; F255-L259 HydrophobicContact CD2-CD2 3.97Å; F255-L259 HydrophobicContact CG-CD2 3.67Å; F255-I279 HydrophobicContact CE2-CD1 4.13Å; F255-I279 HydrophobicContact CZ-CD1 4.12Å; F255-L319 HydrophobicContact CE2-CD1 3.63Å; F255-L319 HydrophobicContact CE2-CG 4.02Å; F255-L319 HydrophobicContact CZ-CD1 3.67Å; F255-L319 HydrophobicContact CZ-CG 3.95Å; F255-I322 HydrophobicContact CE1-CB 4.13Å; F255-I322 HydrophobicContact CE1-CG2 3.6Å; F255-I322 HydrophobicContact CZ-CB 4.44Å; F255-I322 HydrophobicContact CZ-CG2 4.21Å; F255-L323 HydrophobicContact CD1-CB 4.29Å; F255-L323 HydrophobicContact CD1-CD1 3.63Å; F255-L323 HydrophobicContact CD2-CD1 4.46Å; F255-L323 VanDerWaalsContact CE1-CA 3.42Å; F255-L323 HydrophobicContact CE1-CB 3.59Å; F255-L323 HydrophobicContact CE1-CD1 3.83Å; F255-L323 HydrophobicContact CE1-CG 4.3Å; F255-L323 HydrophobicContact CG-CD1 3.98Å; F255-L323 HydrophobicContact CZ-CB 3.82Å; F255-L323 HydrophobicContact CZ-CD1 4.32Å
256	G	88.3	Confident	93.6	Very high	19 Å²	19	55.8 Å²	55.8	20%	0.196	30%	0.303	C	S	.	.			trans	89.4	175.9	-166.3	0	0	0	0	0	112.6	A252	A252-G256 CarbonylContact O-C 3.6Å; A252-G256 WeakPolarHBondContact O-CA 3.3Å; A252-G256 PolarHBondContact O-N 3.14Å
257	D	85.5	Confident	93.7	Very high	157 Å²	157	62.6 Å²	62.6	84%	0.84	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	150.8	177.6	-60.1	-49.1	0	0	0	112
258	G	79.2	Confident	93.7	Very high	79 Å²	79	64.7 Å²	64.7	81%	0.814	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	5.1	172.4	0	0	0	0	0	115.8
259	L	87.9	Confident	93.8	Very high	54 Å²	54	62.6 Å²	62.6	28%	0.283	33%	0.326	S	S	.	.			trans	-71.8	128.6	170.1	-166.4	72.1	0	0	0	110.4	V251 F255 I261 I279	V251-L259 HydrophobicContact CG1-CD2 3.51Å; F255-L259 HydrophobicContact CB-CD2 3.89Å; F255-L259 HydrophobicContact CD1-CD2 3.97Å; F255-L259 HydrophobicContact CD2-CD2 3.97Å; F255-L259 HydrophobicContact CG-CD2 3.67Å; L259-I261 HydrophobicContact CD2-CG2 4.28Å; L259-I261 HydrophobicContact CG-CG2 4.46Å; L259-I261 PolarHBondContact O-N 2.88Å; L259-I279 HydrophobicContact CD1-CG2 3.81Å; L259-I279 HydrophobicContact CD2-CB 4.42Å; L259-I279 HydrophobicContact CD2-CD1 3.79Å; L259-I279 HydrophobicContact CD2-CG1 3.95Å; L259-I279 HydrophobicContact CD2-CG2 3.61Å; L259-I279 HydrophobicContact CG-CG2 3.82Å
260	E	93.6	Very high	94	Very high	121 Å²	121	58.1 Å²	58.1	57%	0.565	31%	0.309	S	S	*	.			trans	-77.1	117.1	175.2	-65.2	-175.2	176.3	0	0	110	N280 W285	E260-N280 HydrophobicContact CB-CB 3.87Å; E260-N280 PolarHBondContact O-N 2.88Å; E260-W285 HydrophobicContact CB-CH2 4.04Å
261	I	95.8	Very high	94.1	Very high	46 Å²	46	58.1 Å²	58.1	24%	0.236	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.1	175.1	68.2	172.8	0	0	0	110.6	T248 V251 L259 M277 E278 I279	T248-I261 HydrophobicContact CG2-CD1 4.09Å; V251-I261 HydrophobicContact CG1-CG2 4.09Å; L259-I261 HydrophobicContact CD2-CG2 4.28Å; L259-I261 HydrophobicContact CG-CG2 4.46Å; L259-I261 PolarHBondContact O-N 2.88Å; I261-M277 HydrophobicContact CD1-SD 4.38Å; I261-E278 VanDerWaalsContact CA-O 3.28Å; I261-E278 WeakPolarHBondContact CA-O 3.24Å; I261-I279 HydrophobicContact CG2-CG1 4.07Å
262	R	96.8	Very high	94.3	Very high	105 Å²	105	59 Å²	59	40%	0.396	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	154	168.3	71.1	-176	-175.4	178.6	2.2	111.4	V264 E278 W285	R262-V264 HydrophobicContact CG-CG2 4.31Å; R262-E278 HydrophobicContact CG-CB 4.07Å; R262-E278 IonicContact CZ-OE2 3.04Å; R262-E278 PolarHBondContact N-O 3.23Å; R262-E278 IonicContact NE-OE2 2.64Å; R262-E278 PolarHBondContact NE-OE2 3.28Å; R262-E278 IonicContact NH2-OE1 3.96Å; R262-E278 IonicContact NH2-OE2 2.64Å; R262-E278 PolarHBondContact NH2-OE2 2.71Å; R262-E278 PolarHBondContact O-N 3.47Å; R262-W285 HydrophobicContact CB-CE3 4.48Å; R262-W285 HydrophobicContact CB-CH2 4.15Å; R262-W285 HydrophobicContact CB-CZ3 3.95Å; R262-W285 HydrophobicContact CG-CD2 4.19Å; R262-W285 HydrophobicContact CG-CE3 3.65Å; R262-W285 HydrophobicContact CG-CH2 4.13Å; R262-W285 HydrophobicContact CG-CZ3 3.62Å; R262-W285 VanDerWaalsContact CZ-CG 3.43Å
263	W	98.1	Very high	94.6	Very high	66 Å²	66	57.8 Å²	57.8	25%	0.25	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.2	173.5	-62.3	99.1	0	0	0	108.7	K244 L247 F275 E276 M277	K244-W263 HydrophobicContact CB-CH2 4.28Å; K244-W263 HydrophobicContact CB-CZ2 3.75Å; K244-W263 HydrophobicContact CD-CD2 4.05Å; K244-W263 HydrophobicContact CD-CG 4.26Å; K244-W263 HydrophobicContact CD-CZ2 4.47Å; K244-W263 HydrophobicContact CG-CD2 4.07Å; K244-W263 HydrophobicContact CG-CE3 4.28Å; K244-W263 HydrophobicContact CG-CH2 3.96Å; K244-W263 HydrophobicContact CG-CZ2 3.72Å; K244-W263 HydrophobicContact CG-CZ3 4.23Å; L247-W263 HydrophobicContact CB-CH2 3.73Å; L247-W263 HydrophobicContact CB-CZ2 4.31Å; L247-W263 HydrophobicContact CD1-CH2 3.7Å; L247-W263 HydrophobicContact CD1-CZ3 4.1Å; L247-W263 HydrophobicContact CG-CH2 4.37Å; W263-F275 HydrophobicContact CE3-CB 3.9Å; W263-F275 HydrophobicContact CZ3-CB 4.47Å; W263-E276 WeakPolarHBondContact CA-O 3.27Å; W263-M277 HydrophobicContact CE3-CB 4.05Å; W263-M277 HydrophobicContact CH2-CB 4.2Å; W263-M277 HydrophobicContact CH2-CG 4.35Å; W263-M277 HydrophobicContact CH2-SD 4.09Å; W263-M277 HydrophobicContact CZ2-SD 4.34Å; W263-M277 HydrophobicContact CZ3-CB 3.76Å; W263-M277 HydrophobicContact CZ3-CG 4.32Å
264	V	98.4	Very high	94.9	Very high	45 Å²	45	55.7 Å²	55.7	27%	0.273	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.2	176.8	-178	0	0	0	0	107.8	R262 C266 F275 E276 E278	R262-V264 HydrophobicContact CG-CG2 4.31Å; V264-C266 PolarHBondContact O-N 3.14Å; V264-F275 CarbonylContact O-C 3.58Å; V264-F275 VanDerWaalsContact O-CA 3.26Å; V264-F275 WeakPolarHBondContact O-CA 3.48Å; V264-E276 HydrophobicContact CB-CB 4.44Å; V264-E276 PolarHBondContact N-O 3.11Å; V264-E276 PolarHBondContact O-N 3.47Å; V264-E278 HydrophobicContact CG2-CG 4.12Å
265	D	98	Very high	95.1	Very high	121 Å²	121	55.6 Å²	55.6	65%	0.647	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	128.8	174.2	-64.7	-32.6	0	0	0	109.2	F275	D265-F275 VanDerWaalsContact OD1-CD1 3.28Å; D265-F275 WeakPolarHBondContact OD1-CD1 3.33Å; D265-F275 VanDerWaalsContact OD1-CE1 3.26Å; D265-F275 WeakPolarHBondContact OD1-CE1 3.48Å
266	C	97.8	Very high	95.5	Very high	36 Å²	36	55.7 Å²	55.7	24%	0.243	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	-167.8	-178.4	70.9	0	0	0	0	111	V264 F268 S274 E276	V264-C266 PolarHBondContact O-N 3.14Å; C266-F268 WeakPolarHBondContact SG-CE2 3.32Å; C266-S274 PolarHBondContact N-O 3.42Å; C266-S274 VanDerWaalsContact N-O 3.1Å; C266-S274 WeakPolarHBondContact O-CB 3.41Å; C266-E276 HydrophobicContact CB-CG 4.28Å
267	Y	97.8	Very high	95.9	Very high	151 Å²	151	54.9 Å²	54.9	59%	0.592	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	129	-178.6	172	-95.1	0	0	0	111.3	P269	Y267-P269 HydrophobicContact CE1-CG 4.01Å
268	F	98.1	Very high	96.5	Very high	45 Å²	45	48.7 Å²	48.7	20%	0.197	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.1	166	-57.7	-69.1	0	0	0	109.1	C266 F270 T271 E276	C266-F268 WeakPolarHBondContact SG-CE2 3.32Å; F268-F270 HydrophobicContact CB-CD1 4.42Å; F268-F270 HydrophobicContact CB-CD2 4.48Å; F268-F270 HydrophobicContact CB-CE1 4.14Å; F268-F270 HydrophobicContact CB-CE2 4.19Å; F268-F270 HydrophobicContact CB-CZ 4.02Å; F268-F270 HydrophobicContact CD1-CZ 4.34Å; F268-F270 HydrophobicContact CG-CZ 4.3Å; F268-F270 PolarHBondContact O-N 3Å; F268-F270 VanDerWaalsContact O-N 3.07Å; F268-T271 WeakPolarHBondContact CB-OG1 3.39Å; F268-T271 PolarHBondContact O-N 2.68Å; F268-E276 HydrophobicContact CZ-CG 4.31Å
269	P	98.4	Very high	97.2	Very high	14 Å²	14	44.9 Å²	44.9	9%	0.091	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.1	179.4	-27.6	37.7	0	0	0	115.5	I131 Y267	I131-P269 HydrophobicContact CG1-CB 4.03Å; I131-P269 HydrophobicContact CG1-CG 4.03Å; Y267-P269 HydrophobicContact CE1-CG 4.01Å
270	F	98.6	Very high	97.5	Very high	24 Å²	24	44.1 Å²	44.1	11%	0.105	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	1.6	-175.5	46.7	-88.5	0	0	0	114	L129 I131 F268 E295 L298	L129-F270 HydrophobicContact CB-CB 4.03Å; L129-F270 HydrophobicContact CB-CD1 3.76Å; L129-F270 HydrophobicContact CB-CG 4.11Å; L129-F270 HydrophobicContact CD1-CD1 4.2Å; L129-F270 HydrophobicContact CD1-CE1 4.32Å; L129-F270 HydrophobicContact CD2-CB 4.23Å; L129-F270 HydrophobicContact CD2-CG 4.3Å; L129-F270 HydrophobicContact CG-CD1 4.43Å; L129-F270 WeakPolarHBondContact O-CB 3.46Å; I131-F270 HydrophobicContact CD1-CE1 4.38Å; I131-F270 HydrophobicContact CG1-CD1 4.47Å; F268-F270 HydrophobicContact CB-CD1 4.42Å; F268-F270 HydrophobicContact CB-CD2 4.48Å; F268-F270 HydrophobicContact CB-CE1 4.14Å; F268-F270 HydrophobicContact CB-CE2 4.19Å; F268-F270 HydrophobicContact CB-CZ 4.02Å; F268-F270 HydrophobicContact CD1-CZ 4.34Å; F268-F270 HydrophobicContact CG-CZ 4.3Å; F268-F270 PolarHBondContact O-N 3Å; F268-F270 VanDerWaalsContact O-N 3.07Å; F270-E295 VanDerWaalsContact C-CG 3.46Å; F270-E295 PolarHBondContact O-N 2.95Å; F270-L298 HydrophobicContact CB-CD1 3.85Å
271	T	98.8	Very high	97.3	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.8	173.2	48.9	0	0	0	0	112.1	F268 S274 V293	F268-T271 WeakPolarHBondContact CB-OG1 3.39Å; F268-T271 PolarHBondContact O-N 2.68Å; T271-S274 VanDerWaalsContact C-OG 3.23Å; T271-S274 WeakPolarHBondContact CB-OG 3.12Å; T271-S274 PolarHBondContact O-OG 3.32Å; T271-S274 PolarHBondContact OG1-OG 3.25Å; T271-V293 CarbonylContact C-O 3.55Å; T271-V293 WeakPolarHBondContact CA-O 3.45Å; T271-V293 WeakPolarHBondContact CB-O 3.28Å
272	H	98.8	Very high	97	Very high	27 Å²	27	45.5 Å²	45.5	13%	0.125	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	126.1	172.2	-177.4	66	0	0	0	111.8	R223 S224 K227 Q228 V293 E295	R223-H272 PolarHBondContact NH1-CD2 2.88Å; S224-H272 PolarHBondContact O-CE1 3.37Å; S224-H272 VanDerWaalsContact O-CE1 3.22Å; S224-H272 PolarHBondContact O-NE2 3.38Å; K227-H272 VanDerWaalsContact C-CD2 3.48Å; K227-H272 PolarHBondContact O-CD2 3Å; K227-H272 PolarHBondContact O-NE2 2.92Å; Q228-H272 HydrophobicContact CG-CB 3.96Å; Q228-H272 WeakPolarHBondContact CG-O 3.43Å; Q228-H272 PolarHBondContact NE2-O 2.76Å; H272-V293 PolarHBondContact N-O 3.46Å; H272-E295 VanDerWaalsContact CB-OE1 3.27Å; H272-E295 WeakPolarHBondContact CB-OE1 3.36Å
273	P	98.8	Very high	96.7	Very high	7 Å²	7	43.4 Å²	43.4	5%	0.045	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-65.5	157	-6.5	30.3	-37	0	0	0	112.2	V236 F275 G292 V293	V236-P273 HydrophobicContact CG1-CG 4.06Å; P273-F275 HydrophobicContact CB-CE1 4.49Å; P273-F275 HydrophobicContact CB-CE2 4.28Å; P273-F275 HydrophobicContact CB-CZ 3.83Å; P273-F275 HydrophobicContact CG-CE2 4.18Å; P273-F275 HydrophobicContact CG-CZ 3.91Å; P273-G292 WeakPolarHBondContact O-CA 3.48Å; P273-V293 HydrophobicContact CG-CG2 4.35Å; P273-V293 PolarHBondContact O-N 2.72Å
274	S	98.8	Very high	96.5	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.035	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.7	-177.1	-71.2	0	0	0	0	111.5	C266 T271 C291	C266-S274 PolarHBondContact N-O 3.42Å; C266-S274 VanDerWaalsContact N-O 3.1Å; C266-S274 WeakPolarHBondContact O-CB 3.41Å; T271-S274 VanDerWaalsContact C-OG 3.23Å; T271-S274 WeakPolarHBondContact CB-OG 3.12Å; T271-S274 PolarHBondContact O-OG 3.32Å; T271-S274 PolarHBondContact OG1-OG 3.25Å; S274-C291 CarbonylContact C-O 3.59Å; S274-C291 WeakPolarHBondContact CA-O 3.35Å
275	F	98.8	Very high	96.3	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	142.2	-179	-42.5	-81.4	0	0	0	111.3	E240 W263 V264 D265 P273 C291	E240-F275 HydrophobicContact CG-CE2 3.85Å; E240-F275 HydrophobicContact CG-CZ 3.88Å; W263-F275 HydrophobicContact CE3-CB 3.9Å; W263-F275 HydrophobicContact CZ3-CB 4.47Å; V264-F275 CarbonylContact O-C 3.58Å; V264-F275 VanDerWaalsContact O-CA 3.26Å; V264-F275 WeakPolarHBondContact O-CA 3.48Å; D265-F275 VanDerWaalsContact OD1-CD1 3.28Å; D265-F275 WeakPolarHBondContact OD1-CD1 3.33Å; D265-F275 VanDerWaalsContact OD1-CE1 3.26Å; D265-F275 WeakPolarHBondContact OD1-CE1 3.48Å; P273-F275 HydrophobicContact CB-CE1 4.49Å; P273-F275 HydrophobicContact CB-CE2 4.28Å; P273-F275 HydrophobicContact CB-CZ 3.83Å; P273-F275 HydrophobicContact CG-CE2 4.18Å; P273-F275 HydrophobicContact CG-CZ 3.91Å; F275-C291 PolarHBondContact N-O 3.24Å; F275-C291 PolarHBondContact O-N 2.93Å; F275-C291 PolarHBondContact O-SG 2.94Å
276	E	98.4	Very high	96.1	Very high	39 Å²	39	44.1 Å²	44.1	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	142.6	161.1	-82.4	158.6	-164.2	0	0	109.3	W263 V264 C266 F268 E287 L289	W263-E276 WeakPolarHBondContact CA-O 3.27Å; V264-E276 HydrophobicContact CB-CB 4.44Å; V264-E276 PolarHBondContact N-O 3.11Å; V264-E276 PolarHBondContact O-N 3.47Å; C266-E276 HydrophobicContact CB-CG 4.28Å; F268-E276 HydrophobicContact CZ-CG 4.31Å; E276-E287 HydrophobicContact CB-CG 4.06Å; E276-E287 HydrophobicContact CG-CG 3.84Å; E276-L289 WeakPolarHBondContact CA-O 3.43Å
277	M	98	Very high	96	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.2	169.4	-175.4	-177	73.5	0	0	108.8	V251 I261 W263 V288 L289	V251-M277 HydrophobicContact CG2-CE 3.23Å; V251-M277 HydrophobicContact CG2-SD 3.74Å; I261-M277 HydrophobicContact CD1-SD 4.38Å; W263-M277 HydrophobicContact CE3-CB 4.05Å; W263-M277 HydrophobicContact CH2-CB 4.2Å; W263-M277 HydrophobicContact CH2-CG 4.35Å; W263-M277 HydrophobicContact CH2-SD 4.09Å; W263-M277 HydrophobicContact CZ2-SD 4.34Å; W263-M277 HydrophobicContact CZ3-CB 3.76Å; W263-M277 HydrophobicContact CZ3-CG 4.32Å; M277-V288 HydrophobicContact CE-CG2 3.42Å; M277-V288 VanDerWaalsContact CE-CG2 3.42Å; M277-V288 WeakPolarHBondContact O-CG2 3.4Å; M277-V288 PolarHBondContact O-N 3.44Å; M277-L289 HydrophobicContact CB-CD1 3.66Å; M277-L289 HydrophobicContact CB-CD2 4.45Å; M277-L289 HydrophobicContact CB-CG 3.85Å; M277-L289 HydrophobicContact CE-CD2 3.38Å; M277-L289 HydrophobicContact CE-CG 3.89Å; M277-L289 PolarHBondContact N-O 3.05Å; M277-L289 HydrophobicContact SD-CD2 4.34Å
278	E	97	Very high	95.9	Very high	27 Å²	27	39 Å²	39	13%	0.126	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142	176.4	-60.1	-176.3	158	0	0	110.6	I261 R262 V264 W285 L286 E287	I261-E278 VanDerWaalsContact CA-O 3.28Å; I261-E278 WeakPolarHBondContact CA-O 3.24Å; R262-E278 HydrophobicContact CG-CB 4.07Å; R262-E278 IonicContact CZ-OE2 3.04Å; R262-E278 PolarHBondContact N-O 3.23Å; R262-E278 IonicContact NE-OE2 2.64Å; R262-E278 PolarHBondContact NE-OE2 3.28Å; R262-E278 IonicContact NH2-OE1 3.96Å; R262-E278 IonicContact NH2-OE2 2.64Å; R262-E278 PolarHBondContact NH2-OE2 2.71Å; R262-E278 PolarHBondContact O-N 3.47Å; V264-E278 HydrophobicContact CG2-CG 4.12Å; E278-W285 HydrophobicContact CB-CB 4.38Å; E278-W285 HydrophobicContact CB-CE3 3.98Å; E278-W285 WeakPolarHBondContact OE2-CB 3.44Å; E278-L286 CarbonylContact C-O 3.59Å; E278-L286 VanDerWaalsContact CA-O 3.26Å; E278-L286 WeakPolarHBondContact CA-O 3.35Å; E278-E287 HydrophobicContact CG-CB 4.24Å
279	I	95.1	Very high	95.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133	175.1	-68	173.8	0	0	0	108.3	F255 L259 I261 F281 L286 V288 L319 I322	F255-I279 HydrophobicContact CE2-CD1 4.13Å; F255-I279 HydrophobicContact CZ-CD1 4.12Å; L259-I279 HydrophobicContact CD1-CG2 3.81Å; L259-I279 HydrophobicContact CD2-CB 4.42Å; L259-I279 HydrophobicContact CD2-CD1 3.79Å; L259-I279 HydrophobicContact CD2-CG1 3.95Å; L259-I279 HydrophobicContact CD2-CG2 3.61Å; L259-I279 HydrophobicContact CG-CG2 3.82Å; I261-I279 HydrophobicContact CG2-CG1 4.07Å; I279-F281 PolarHBondContact O-N 3.3Å; I279-L286 PolarHBondContact N-O 3.11Å; I279-L286 PolarHBondContact O-N 2.94Å; I279-V288 HydrophobicContact CB-CG1 4.48Å; I279-V288 HydrophobicContact CD1-CB 4.42Å; I279-V288 HydrophobicContact CD1-CG1 3.9Å; I279-V288 HydrophobicContact CD1-CG2 3.78Å; I279-V288 HydrophobicContact CG1-CG1 4.29Å; I279-V288 HydrophobicContact CG1-CG2 4.06Å; I279-L319 HydrophobicContact CD1-CD1 4.25Å; I279-I322 HydrophobicContact CG2-CG2 4.16Å
280	N	93.9	Very high	95.8	Very high	38 Å²	38	37.2 Å²	37.2	20%	0.203	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	115.5	168	-166.1	-76.3	0	0	0	109.4	E260 G283 E284 W285	E260-N280 HydrophobicContact CB-CB 3.87Å; E260-N280 PolarHBondContact O-N 2.88Å; N280-G283 WeakPolarHBondContact OD1-CA 3.28Å; N280-G283 PolarHBondContact OD1-N 2.98Å; N280-E284 CarbonylContact C-O 3.38Å; N280-E284 WeakPolarHBondContact CA-O 3.24Å; N280-W285 HydrophobicContact CB-CD2 4.21Å; N280-W285 HydrophobicContact CB-CE3 4.05Å; N280-W285 HydrophobicContact CB-CH2 3.99Å; N280-W285 HydrophobicContact CB-CZ2 4.13Å; N280-W285 HydrophobicContact CB-CZ3 3.93Å
281	F	89.3	Confident	95.8	Very high	43 Å²	43	36.1 Å²	36.1	19%	0.189	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	121.2	177.6	-177	-112.6	0	0	0	109.2	I279 G283 E284 L286 I322 D325	I279-F281 PolarHBondContact O-N 3.3Å; F281-G283 PolarHBondContact O-N 2.98Å; F281-G283 VanDerWaalsContact O-N 3.17Å; F281-E284 PolarHBondContact N-O 3.27Å; F281-E284 PolarHBondContact O-N 3.4Å; F281-L286 HydrophobicContact CB-CD1 4.05Å; F281-L286 HydrophobicContact CD1-CD1 4.05Å; F281-I322 HydrophobicContact CB-CG1 4.41Å; F281-I322 HydrophobicContact CB-CG2 4.12Å; F281-I322 HydrophobicContact CD1-CG1 4.22Å; F281-I322 HydrophobicContact CD2-CB 4.36Å; F281-I322 HydrophobicContact CD2-CG2 3.57Å; F281-I322 HydrophobicContact CE2-CG2 4.07Å; F281-I322 HydrophobicContact CG-CB 4.44Å; F281-I322 HydrophobicContact CG-CG1 4.17Å; F281-I322 HydrophobicContact CG-CG2 3.87Å; F281-D325 WeakPolarHBondContact CE2-OD1 3.47Å; F281-D325 WeakPolarHBondContact CZ-OD1 3.41Å
282	H	89.3	Confident	95.8	Very high	152 Å²	152	36 Å²	36	70%	0.704	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	32.8	-176.6	-60.3	158.5	0	0	0	114.6	E284	H282-E284 VanDerWaalsContact C-N 3.31Å
283	G	91.6	Very high	95.8	Very high	61 Å²	61	34.7 Å²	34.7	63%	0.629	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.1	-0.6	179.3	0	0	0	0	0	114.6	N280 F281	N280-G283 WeakPolarHBondContact OD1-CA 3.28Å; N280-G283 PolarHBondContact OD1-N 2.98Å; F281-G283 PolarHBondContact O-N 2.98Å; F281-G283 VanDerWaalsContact O-N 3.17Å
284	E	92.7	Very high	95.8	Very high	130 Å²	130	34.4 Å²	34.4	61%	0.607	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.6	175.8	-64.2	-174.6	169.8	0	0	110.7	N280 F281 H282	N280-E284 CarbonylContact C-O 3.38Å; N280-E284 WeakPolarHBondContact CA-O 3.24Å; F281-E284 PolarHBondContact N-O 3.27Å; F281-E284 PolarHBondContact O-N 3.4Å; H282-E284 VanDerWaalsContact C-N 3.31Å
285	W	95.5	Very high	95.8	Very high	84 Å²	84	34.8 Å²	34.8	32%	0.318	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.3	174.4	-71.3	98.2	0	0	0	109.6	E260 R262 E278 N280	E260-W285 HydrophobicContact CB-CH2 4.04Å; R262-W285 HydrophobicContact CB-CE3 4.48Å; R262-W285 HydrophobicContact CB-CH2 4.15Å; R262-W285 HydrophobicContact CB-CZ3 3.95Å; R262-W285 HydrophobicContact CG-CD2 4.19Å; R262-W285 HydrophobicContact CG-CE3 3.65Å; R262-W285 HydrophobicContact CG-CH2 4.13Å; R262-W285 HydrophobicContact CG-CZ3 3.62Å; R262-W285 VanDerWaalsContact CZ-CG 3.43Å; E278-W285 HydrophobicContact CB-CB 4.38Å; E278-W285 HydrophobicContact CB-CE3 3.98Å; E278-W285 WeakPolarHBondContact OE2-CB 3.44Å; N280-W285 HydrophobicContact CB-CD2 4.21Å; N280-W285 HydrophobicContact CB-CE3 4.05Å; N280-W285 HydrophobicContact CB-CH2 3.99Å; N280-W285 HydrophobicContact CB-CZ2 4.13Å; N280-W285 HydrophobicContact CB-CZ3 3.93Å
286	L	93.5	Very high	95.8	Very high	34 Å²	34	34.6 Å²	34.6	18%	0.178	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.4	-177.3	-58.7	178.1	0	0	0	110.2	E278 I279 F281 V288 I322	E278-L286 CarbonylContact C-O 3.59Å; E278-L286 VanDerWaalsContact CA-O 3.26Å; E278-L286 WeakPolarHBondContact CA-O 3.35Å; I279-L286 PolarHBondContact N-O 3.11Å; I279-L286 PolarHBondContact O-N 2.94Å; F281-L286 HydrophobicContact CB-CD1 4.05Å; F281-L286 HydrophobicContact CD1-CD1 4.05Å; L286-V288 PolarHBondContact O-N 3.36Å; L286-I322 HydrophobicContact CB-CD1 4.27Å; L286-I322 HydrophobicContact CD1-CD1 4.14Å; L286-I322 HydrophobicContact CD1-CG1 4.28Å
287	E	94.9	Very high	95.9	Very high	74 Å²	74	39 Å²	39	35%	0.346	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	124.9	171.5	-177.7	-151.4	143	0	0	110.5	E276 E278 R318	E276-E287 HydrophobicContact CB-CG 4.06Å; E276-E287 HydrophobicContact CG-CG 3.84Å; E278-E287 HydrophobicContact CG-CB 4.24Å; E287-R318 WeakPolarHBondContact O-CD 3.35Å; E287-R318 PolarHBondContact O-NH1 3Å
288	V	94.9	Very high	95.9	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-16.8	179.3	-63	0	0	0	0	114.5	M277 I279 L286 G315 R318 L319 I322	M277-V288 HydrophobicContact CE-CG2 3.42Å; M277-V288 VanDerWaalsContact CE-CG2 3.42Å; M277-V288 WeakPolarHBondContact O-CG2 3.4Å; M277-V288 PolarHBondContact O-N 3.44Å; I279-V288 HydrophobicContact CB-CG1 4.48Å; I279-V288 HydrophobicContact CD1-CB 4.42Å; I279-V288 HydrophobicContact CD1-CG1 3.9Å; I279-V288 HydrophobicContact CD1-CG2 3.78Å; I279-V288 HydrophobicContact CG1-CG1 4.29Å; I279-V288 HydrophobicContact CG1-CG2 4.06Å; L286-V288 PolarHBondContact O-N 3.36Å; V288-G315 PolarHBondContact O-N 2.87Å; V288-G315 VanDerWaalsContact O-N 3.15Å; V288-R318 HydrophobicContact CG1-CG 4.22Å; V288-L319 HydrophobicContact CB-CD1 4.11Å; V288-L319 HydrophobicContact CG1-CD1 4.32Å; V288-L319 HydrophobicContact CG2-CD1 4.28Å; V288-I322 HydrophobicContact CG1-CD1 3.56Å
289	L	97.3	Very high	96	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	155.1	175.7	61.2	85.5	0	0	0	111.5	L247 E276 M277 C291 G313 L314	L247-L289 HydrophobicContact CD1-CD1 3.78Å; L247-L289 HydrophobicContact CD1-CD2 4.25Å; L247-L289 HydrophobicContact CD2-CD2 3.68Å; L247-L289 HydrophobicContact CG-CD2 4.48Å; E276-L289 WeakPolarHBondContact CA-O 3.43Å; M277-L289 HydrophobicContact CB-CD1 3.66Å; M277-L289 HydrophobicContact CB-CD2 4.45Å; M277-L289 HydrophobicContact CB-CG 3.85Å; M277-L289 HydrophobicContact CE-CD2 3.38Å; M277-L289 HydrophobicContact CE-CG 3.89Å; M277-L289 PolarHBondContact N-O 3.05Å; M277-L289 HydrophobicContact SD-CD2 4.34Å; L289-C291 HydrophobicContact CD1-CB 4.13Å; L289-G313 VanDerWaalsContact CA-O 3.28Å; L289-G313 WeakPolarHBondContact CA-O 3.42Å; L289-G313 VanDerWaalsContact CB-O 3.26Å; L289-G313 WeakPolarHBondContact CB-O 3.4Å; L289-L314 HydrophobicContact CB-CB 3.8Å; L289-L314 HydrophobicContact CD2-CB 4.35Å
290	G	98.3	Very high	96.2	Very high	14 Å²	14	40.9 Å²	40.9	14%	0.144	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.3	163.7	0	0	0	0	0	110.3	F312 G313	G290-F312 CarbonylContact O-C 3.54Å; G290-F312 VanDerWaalsContact O-CA 3.3Å; G290-F312 WeakPolarHBondContact O-CA 3.3Å; G290-G313 PolarHBondContact N-O 2.81Å; G290-G313 VanDerWaalsContact N-O 3.17Å; G290-G313 PolarHBondContact O-N 3.48Å
291	C	98.8	Very high	96.4	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	170.3	-178.6	68.7	0	0	0	0	112.6	L243 L247 S274 F275 L289 A311 F312	L243-C291 HydrophobicContact CD1-CB 4.12Å; L243-C291 HydrophobicContact CD2-CB 3.99Å; L243-C291 HydrophobicContact CG-CB 4.45Å; L247-C291 HydrophobicContact CD1-CB 4.05Å; S274-C291 CarbonylContact C-O 3.59Å; S274-C291 WeakPolarHBondContact CA-O 3.35Å; F275-C291 PolarHBondContact N-O 3.24Å; F275-C291 PolarHBondContact O-N 2.93Å; F275-C291 PolarHBondContact O-SG 2.94Å; L289-C291 HydrophobicContact CD1-CB 4.13Å; C291-A311 CarbonylContact C-O 3.51Å; C291-A311 WeakPolarHBondContact CA-O 3.47Å; C291-A311 WeakPolarHBondContact CB-O 3.46Å; C291-F312 HydrophobicContact CB-CB 3.38Å
292	G	98.8	Very high	96.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-178.8	172.3	0	0	0	0	0	113.6	P273 W310 A311	P273-G292 WeakPolarHBondContact O-CA 3.48Å; G292-W310 VanDerWaalsContact O-CA 3.29Å; G292-W310 WeakPolarHBondContact O-CA 3.42Å; G292-A311 PolarHBondContact N-O 3.27Å; G292-A311 PolarHBondContact O-N 2.88Å
293	V	98.9	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125	170.5	-179.8	0	0	0	0	108	V236 V239 T271 H272 P273 I308 G309	V236-V293 HydrophobicContact CG1-CG2 4.3Å; V239-V293 HydrophobicContact CB-CG2 4.39Å; V239-V293 HydrophobicContact CG1-CG1 4.33Å; V239-V293 HydrophobicContact CG1-CG2 3.9Å; T271-V293 CarbonylContact C-O 3.55Å; T271-V293 WeakPolarHBondContact CA-O 3.45Å; T271-V293 WeakPolarHBondContact CB-O 3.28Å; H272-V293 PolarHBondContact N-O 3.46Å; P273-V293 HydrophobicContact CG-CG2 4.35Å; P273-V293 PolarHBondContact O-N 2.72Å; V293-I308 HydrophobicContact CG1-CD1 4.18Å; V293-I308 HydrophobicContact CG1-CG1 4.19Å; V293-G309 CarbonylContact C-O 3.53Å; V293-G309 WeakPolarHBondContact CA-O 3.46Å
294	M	98.9	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	139.9	-174.8	-59.4	-178.3	74.9	0	0	111.6	Q160 L164 V197 L199 Q228 Q296 L298 V299 G309 A311	Q160-M294 VanDerWaalsContact OE1-CE 3.27Å; L164-M294 HydrophobicContact CD1-CE 3.74Å; V197-M294 HydrophobicContact CG1-CE 4.13Å; V197-M294 HydrophobicContact CG1-SD 3.68Å; V197-M294 HydrophobicContact CG2-CE 4.31Å; V197-M294 HydrophobicContact CG2-SD 4.47Å; L199-M294 HydrophobicContact CD2-SD 4.09Å; Q228-M294 PolarHBondContact NE2-O 3.09Å; M294-Q296 PolarHBondContact O-N 3.01Å; M294-L298 HydrophobicContact CE-CD2 3.85Å; M294-V299 HydrophobicContact CB-CG2 3.79Å; M294-V299 HydrophobicContact CE-CG2 4.42Å; M294-V299 HydrophobicContact SD-CG2 4.43Å; M294-G309 PolarHBondContact N-O 3.25Å; M294-A311 HydrophobicContact CE-CB 4.36Å; M294-A311 HydrophobicContact CG-CB 3.8Å; M294-A311 HydrophobicContact SD-CB 4.05Å
295	E	98.9	Very high	97.8	Very high	13 Å²	13	32.4 Å²	32.4	6%	0.061	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-58.9	125	173.3	-80.4	-70.3	171.8	0	0	110.8	L130 R223 Q228 F270 H272 Q297 L298 V299	L130-E295 HydrophobicContact CD1-CB 3.64Å; L130-E295 HydrophobicContact CD1-CG 4.07Å; R223-E295 IonicContact CZ-OE1 3.27Å; R223-E295 VanDerWaalsContact CZ-OE1 3.27Å; R223-E295 IonicContact CZ-OE2 3.77Å; R223-E295 IonicContact NH1-OE1 2.67Å; R223-E295 PolarHBondContact NH1-OE1 3.2Å; R223-E295 IonicContact NH1-OE2 3.9Å; R223-E295 VanDerWaalsContact NH2-CD 3.3Å; R223-E295 IonicContact NH2-OE1 3.02Å; R223-E295 PolarHBondContact NH2-OE1 3.37Å; R223-E295 IonicContact NH2-OE2 2.77Å; R223-E295 PolarHBondContact NH2-OE2 3.47Å; Q228-E295 PolarHBondContact OE1-OE2 3.21Å; F270-E295 VanDerWaalsContact C-CG 3.46Å; F270-E295 PolarHBondContact O-N 2.95Å; H272-E295 VanDerWaalsContact CB-OE1 3.27Å; H272-E295 WeakPolarHBondContact CB-OE1 3.36Å; E295-Q297 PolarHBondContact O-N 3.25Å; E295-L298 HydrophobicContact CB-CB 4.43Å; E295-L298 WeakPolarHBondContact O-CB 3.27Å; E295-L298 PolarHBondContact O-N 2.71Å; E295-V299 PolarHBondContact O-N 3.32Å
296	Q	98.8	Very high	97.9	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-28.8	-174.7	-164.1	58.8	41.7	0	0	111.6	F218 H231 M294 L298 V299 N300 R307	F218-Q296 VanDerWaalsContact CE1-CD 3.44Å; F218-Q296 HydrophobicContact CE1-CG 4.04Å; H231-Q296 PolarHBondContact NE2-OE1 3.12Å; M294-Q296 PolarHBondContact O-N 3.01Å; Q296-L298 VanDerWaalsContact C-N 3.32Å; Q296-L298 PolarHBondContact O-N 3.23Å; Q296-V299 PolarHBondContact O-N 3.47Å; Q296-N300 PolarHBondContact NE2-OD1 3.4Å; Q296-N300 WeakPolarHBondContact O-CB 3.02Å; Q296-N300 PolarHBondContact O-N 2.91Å; Q296-N300 PolarHBondContact O-ND2 2.86Å; Q296-N300 PolarHBondContact O-OD1 2.93Å; Q296-R307 PolarHBondContact NE2-O 2.79Å; Q296-R307 PolarHBondContact OE1-O 2.91Å
297	Q	98.8	Very high	98.2	Very high	131 Å²	131	33.3 Å²	33.3	61%	0.612	19%	0.186	S	C	*	.	H	α-helix	trans	-60.3	-41.6	173.6	-179.7	-179.9	-12	0	0	111.9	L130 E295 S301	L130-Q297 HydrophobicContact CD1-CB 3.93Å; L130-Q297 HydrophobicContact CD1-CG 4.27Å; L130-Q297 HydrophobicContact CD2-CB 4.48Å; L130-Q297 HydrophobicContact CD2-CG 3.94Å; E295-Q297 PolarHBondContact O-N 3.25Å; Q297-S301 VanDerWaalsContact O-CB 3.27Å; Q297-S301 WeakPolarHBondContact O-CB 3.37Å; Q297-S301 PolarHBondContact O-N 3.46Å; Q297-S301 PolarHBondContact O-OG 2.9Å
298	L	98.8	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-53	176	177.1	168.6	0	0	0	109.7	L129 L130 L164 F270 M294 E295 Q296 N300 S301 A302	L129-L298 HydrophobicContact CD2-CD1 3.68Å; L130-L298 HydrophobicContact CD1-CB 4.37Å; L164-L298 HydrophobicContact CD1-CD2 3.48Å; L164-L298 VanDerWaalsContact CD1-CD2 3.48Å; F270-L298 HydrophobicContact CB-CD1 3.85Å; M294-L298 HydrophobicContact CE-CD2 3.85Å; E295-L298 HydrophobicContact CB-CB 4.43Å; E295-L298 WeakPolarHBondContact O-CB 3.27Å; E295-L298 PolarHBondContact O-N 2.71Å; Q296-L298 VanDerWaalsContact C-N 3.32Å; Q296-L298 PolarHBondContact O-N 3.23Å; L298-N300 PolarHBondContact O-N 3.41Å; L298-S301 PolarHBondContact O-N 3.18Å; L298-S301 VanDerWaalsContact O-N 3.16Å; L298-S301 PolarHBondContact O-OG 2.89Å; L298-A302 PolarHBondContact O-N 3.31Å
299	V	98.8	Very high	98.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-44.5	-177.5	-179	0	0	0	0	111.5	L199 M294 E295 Q296 A302 G303 A304	L199-V299 HydrophobicContact CD1-CG1 4.49Å; L199-V299 HydrophobicContact CD2-CG1 4.33Å; M294-V299 HydrophobicContact CB-CG2 3.79Å; M294-V299 HydrophobicContact CE-CG2 4.42Å; M294-V299 HydrophobicContact SD-CG2 4.43Å; E295-V299 PolarHBondContact O-N 3.32Å; Q296-V299 PolarHBondContact O-N 3.47Å; V299-A302 PolarHBondContact O-N 3.05Å; V299-G303 PolarHBondContact O-N 3.22Å; V299-A304 HydrophobicContact CG1-CB 3.81Å; V299-A304 WeakPolarHBondContact CG1-O 3.16Å; V299-A304 PolarHBondContact O-N 2.73Å
300	N	98.8	Very high	98.6	Very high	69 Å²	69	29.2 Å²	29.2	37%	0.369	17%	0.166	S	C	.	.	H	α-helix	trans	-62.7	-43.4	176.1	-70.6	-6.9	0	0	0	111.8	Q296 L298 A302 G303 Q305	Q296-N300 PolarHBondContact NE2-OD1 3.4Å; Q296-N300 WeakPolarHBondContact O-CB 3.02Å; Q296-N300 PolarHBondContact O-N 2.91Å; Q296-N300 PolarHBondContact O-ND2 2.86Å; Q296-N300 PolarHBondContact O-OD1 2.93Å; L298-N300 PolarHBondContact O-N 3.41Å; N300-A302 PolarHBondContact O-N 2.78Å; N300-G303 PolarHBondContact O-N 2.83Å; N300-Q305 VanDerWaalsContact OD1-CA 3.3Å; N300-Q305 WeakPolarHBondContact OD1-CA 3.24Å
301	S	98.7	Very high	98.6	Very high	63 Å²	63	28.7 Å²	28.7	44%	0.441	16%	0.16	S	C	.	.	H	α-helix	trans	-64.8	-25	-178.5	75.7	0	0	0	0	113.3	W161 Q297 L298	W161-S301 PolarHBondContact NE1-OG 3.44Å; Q297-S301 VanDerWaalsContact O-CB 3.27Å; Q297-S301 WeakPolarHBondContact O-CB 3.37Å; Q297-S301 PolarHBondContact O-N 3.46Å; Q297-S301 PolarHBondContact O-OG 2.9Å; L298-S301 PolarHBondContact O-N 3.18Å; L298-S301 VanDerWaalsContact O-N 3.16Å; L298-S301 PolarHBondContact O-OG 2.89Å
302	A	98.5	Very high	98.6	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-81.7	-14	174.5	0	0	0	0	0	112.9	W161 L164 H165 L298 V299 N300	W161-A302 HydrophobicContact CG-CB 4.44Å; L164-A302 HydrophobicContact CB-CB 3.57Å; L164-A302 HydrophobicContact CD1-CB 4.46Å; H165-A302 WeakPolarHBondContact CA-O 3.27Å; H165-A302 HydrophobicContact CB-CB 4.38Å; H165-A302 PolarHBondContact ND1-O 3.4Å; L298-A302 PolarHBondContact O-N 3.31Å; V299-A302 PolarHBondContact O-N 3.05Å; N300-A302 PolarHBondContact O-N 2.78Å
303	G	98.4	Very high	98.6	Very high	49 Å²	49	29.3 Å²	29.3	51%	0.505	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.9	13.9	178.7	0	0	0	0	0	115.3	V299 N300 Q305	V299-G303 PolarHBondContact O-N 3.22Å; N300-G303 PolarHBondContact O-N 2.83Å; G303-Q305 PolarHBondContact O-OE1 3.17Å; G303-Q305 VanDerWaalsContact O-OE1 3.05Å
304	A	98.1	Very high	98.5	Very high	11 Å²	11	29.4 Å²	29.4	9%	0.091	17%	0.167	C	C	.	.			trans	-104.3	41.8	178.5	0	0	0	0	0	112.3	L199 V299 D306 R307	L199-A304 HydrophobicContact CD1-CB 3.72Å; V299-A304 HydrophobicContact CG1-CB 3.81Å; V299-A304 WeakPolarHBondContact CG1-O 3.16Å; V299-A304 PolarHBondContact O-N 2.73Å; A304-D306 PolarHBondContact O-N 3.42Å; A304-D306 VanDerWaalsContact O-N 3.1Å; A304-R307 HydrophobicContact CB-CB 4.41Å; A304-R307 HydrophobicContact CB-CG 4.34Å; A304-R307 WeakPolarHBondContact O-CB 3.36Å; A304-R307 PolarHBondContact O-N 3.15Å
305	Q	98	Very high	98.4	Very high	118 Å²	118	30.1 Å²	30.1	55%	0.551	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-15.2	-172.1	60.8	-86.7	6	0	0	115.9	F218 N300 G303 R307	F218-Q305 VanDerWaalsContact CE2-O 3.26Å; F218-Q305 WeakPolarHBondContact CE2-O 3.32Å; N300-Q305 VanDerWaalsContact OD1-CA 3.3Å; N300-Q305 WeakPolarHBondContact OD1-CA 3.24Å; G303-Q305 PolarHBondContact O-OE1 3.17Å; G303-Q305 VanDerWaalsContact O-OE1 3.05Å; Q305-R307 VanDerWaalsContact C-N 3.28Å
306	D	97.8	Very high	98.4	Very high	90 Å²	90	29.5 Å²	29.5	48%	0.481	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	4.4	174.7	66.2	-47.9	0	0	0	113	A304	A304-D306 PolarHBondContact O-N 3.42Å; A304-D306 VanDerWaalsContact O-N 3.1Å
307	R	98.6	Very high	98.4	Very high	48 Å²	48	29.6 Å²	29.6	18%	0.181	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.5	-172.9	-53.3	-57.2	175.2	111.1	9.6	113.5	D169 L199 F200 F218 Q296 A304 Q305	D169-R307 IonicContact OD1-CZ 3.65Å; D169-R307 IonicContact OD1-NH1 3.71Å; D169-R307 IonicContact OD2-CZ 3.43Å; D169-R307 IonicContact OD2-NH1 3.91Å; D169-R307 PolarHBondContact OD2-NH1 3.04Å; D169-R307 IonicContact OD2-NH2 2.82Å; D169-R307 PolarHBondContact OD2-NH2 2.99Å; L199-R307 HydrophobicContact CB-CB 4.06Å; L199-R307 HydrophobicContact CB-CG 4.39Å; L199-R307 HydrophobicContact CD1-CB 3.96Å; L199-R307 HydrophobicContact CD1-CG 4.19Å; L199-R307 HydrophobicContact CG-CB 4.48Å; F200-R307 WeakPolarHBondContact O-CA 3.38Å; F200-R307 WeakPolarHBondContact O-CD 3.2Å; F218-R307 WeakPolarHBondContact CZ-O 3.45Å; Q296-R307 PolarHBondContact NE2-O 2.79Å; Q296-R307 PolarHBondContact OE1-O 2.91Å; A304-R307 HydrophobicContact CB-CB 4.41Å; A304-R307 HydrophobicContact CB-CG 4.34Å; A304-R307 WeakPolarHBondContact O-CB 3.36Å; A304-R307 PolarHBondContact O-N 3.15Å; Q305-R307 VanDerWaalsContact C-N 3.28Å
308	I	98.8	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.9	164.9	-171.5	169.8	0	0	0	108.1	L199 F200 L205 L217 A235 V239 V293	L199-I308 CarbonylContact C-O 3.49Å; L199-I308 WeakPolarHBondContact CA-O 3.4Å; F200-I308 HydrophobicContact CB-CG2 4.28Å; F200-I308 PolarHBondContact N-O 3.12Å; F200-I308 PolarHBondContact O-N 2.8Å; L205-I308 HydrophobicContact CD2-CG2 4.1Å; L217-I308 HydrophobicContact CD1-CB 4.42Å; L217-I308 HydrophobicContact CD1-CG2 4.04Å; L217-I308 HydrophobicContact CD2-CG2 3.78Å; L217-I308 HydrophobicContact CG-CG2 4.42Å; A235-I308 HydrophobicContact CB-CD1 4.08Å; V239-I308 HydrophobicContact CG2-CD1 4.16Å; V239-I308 HydrophobicContact CG2-CG1 4.24Å; V239-I308 HydrophobicContact CG2-CG2 3.84Å; V293-I308 HydrophobicContact CG1-CD1 4.18Å; V293-I308 HydrophobicContact CG1-CG1 4.19Å
309	G	98.6	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	166.1	-178.9	0	0	0	0	0	115	R198 V293 M294	R198-G309 CarbonylContact O-C 3.52Å; R198-G309 WeakPolarHBondContact O-CA 3.44Å; V293-G309 CarbonylContact C-O 3.53Å; V293-G309 WeakPolarHBondContact CA-O 3.46Å; M294-G309 PolarHBondContact N-O 3.25Å
310	W	98.9	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	155.1	163.9	57.3	-114.6	0	0	0	110.5	F97 Y101 F110 A196 R198 F200 V239 D242 L243 G292 F312	F97-W310 HydrophobicContact CE1-CH2 4.12Å; F97-W310 HydrophobicContact CZ-CH2 4.45Å; Y101-W310 HydrophobicContact CE2-CZ2 4.38Å; F110-W310 HydrophobicContact CE1-CH2 4.35Å; F110-W310 HydrophobicContact CZ-CH2 4.24Å; A196-W310 HydrophobicContact CB-CH2 4.48Å; A196-W310 HydrophobicContact CB-CZ3 3.96Å; R198-W310 HydrophobicContact CB-CD2 3.77Å; R198-W310 VanDerWaalsContact CB-CE2 3.42Å; R198-W310 HydrophobicContact CB-CE3 4.06Å; R198-W310 HydrophobicContact CB-CG 4.49Å; R198-W310 HydrophobicContact CB-CH2 3.68Å; R198-W310 HydrophobicContact CB-CZ2 3.39Å; R198-W310 HydrophobicContact CB-CZ3 4.01Å; R198-W310 HydrophobicContact CG-CH2 4.37Å; R198-W310 HydrophobicContact CG-CZ2 3.77Å; R198-W310 PolarHBondContact N-O 2.67Å; R198-W310 PolarHBondContact O-N 2.96Å; F200-W310 AromaticContact CE2-CD1 3.49Å; F200-W310 VanDerWaalsContact CE2-CD1 3.49Å; F200-W310 HydrophobicContact CE2-CG 4.43Å; F200-W310 AromaticContact CE2-NE1 3.57Å; F200-W310 AromaticContact CZ-CD1 3.84Å; F200-W310 AromaticContact CZ-NE1 3.5Å; V239-W310 HydrophobicContact CG1-CB 3.84Å; V239-W310 HydrophobicContact CG1-CG 4.29Å; D242-W310 PolarHBondContact OD2-NE1 2.92Å; L243-W310 HydrophobicContact CB-CB 3.97Å; L243-W310 HydrophobicContact CB-CD2 4.29Å; L243-W310 HydrophobicContact CB-CG 3.81Å; L243-W310 HydrophobicContact CD1-CB 4.08Å; L243-W310 HydrophobicContact CD1-CD2 3.79Å; L243-W310 HydrophobicContact CD1-CE3 3.68Å; L243-W310 HydrophobicContact CD1-CG 3.98Å; L243-W310 HydrophobicContact CD1-CZ3 4.39Å; L243-W310 HydrophobicContact CD2-CB 4.03Å; L243-W310 HydrophobicContact CG-CB 4.24Å; L243-W310 HydrophobicContact CG-CG 4.35Å; G292-W310 VanDerWaalsContact O-CA 3.29Å; G292-W310 WeakPolarHBondContact O-CA 3.42Å; W310-F312 HydrophobicContact CE3-CD1 4.03Å; W310-F312 HydrophobicContact CE3-CE1 4.49Å; W310-F312 HydrophobicContact CH2-CD1 4.32Å; W310-F312 AromaticContact CH2-CE1 3.98Å; W310-F312 HydrophobicContact CH2-CE1 3.98Å; W310-F312 AromaticContact CZ3-CD1 3.51Å; W310-F312 HydrophobicContact CZ3-CD1 3.51Å; W310-F312 AromaticContact CZ3-CE1 3.56Å; W310-F312 HydrophobicContact CZ3-CE1 3.56Å
311	A	98.9	Very high	98	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.017	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.4	170.1	0	0	0	0	0	110.5	A196 V197 C291 G292 M294	A196-A311 CarbonylContact O-C 3.54Å; A196-A311 VanDerWaalsContact O-CA 3.23Å; A196-A311 WeakPolarHBondContact O-CA 3.37Å; V197-A311 HydrophobicContact CG2-CB 4.04Å; C291-A311 CarbonylContact C-O 3.51Å; C291-A311 WeakPolarHBondContact CA-O 3.47Å; C291-A311 WeakPolarHBondContact CB-O 3.46Å; G292-A311 PolarHBondContact N-O 3.27Å; G292-A311 PolarHBondContact O-N 2.88Å; M294-A311 HydrophobicContact CE-CB 4.36Å; M294-A311 HydrophobicContact CG-CB 3.8Å; M294-A311 HydrophobicContact SD-CB 4.05Å
312	F	98.8	Very high	97.8	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.7	164.7	69.7	-103.9	0	0	0	111.5	F97 L194 E195 A196 L243 L247 L250 G290 C291 W310 L314	F97-F312 HydrophobicContact CE2-CE1 4.48Å; F97-F312 AromaticContact CE2-CZ 3.9Å; F97-F312 HydrophobicContact CE2-CZ 3.9Å; F97-F312 AromaticContact CZ-CE1 3.77Å; F97-F312 HydrophobicContact CZ-CE1 3.77Å; F97-F312 AromaticContact CZ-CZ 3.64Å; F97-F312 HydrophobicContact CZ-CZ 3.64Å; L194-F312 HydrophobicContact CD2-CE2 3.87Å; L194-F312 HydrophobicContact CD2-CZ 4.41Å; E195-F312 CarbonylContact C-O 3.59Å; E195-F312 VanDerWaalsContact CA-O 3.3Å; E195-F312 WeakPolarHBondContact CA-O 3.37Å; A196-F312 HydrophobicContact CB-CD1 3.88Å; A196-F312 HydrophobicContact CB-CD2 4.29Å; A196-F312 HydrophobicContact CB-CE1 3.36Å; A196-F312 HydrophobicContact CB-CE2 3.78Å; A196-F312 HydrophobicContact CB-CG 4.32Å; A196-F312 HydrophobicContact CB-CZ 3.29Å; A196-F312 PolarHBondContact N-O 3.49Å; A196-F312 PolarHBondContact O-N 2.94Å; L243-F312 HydrophobicContact CD1-CB 4.47Å; L243-F312 HydrophobicContact CD1-CD1 4.07Å; L247-F312 HydrophobicContact CD1-CB 4.22Å; L247-F312 HydrophobicContact CD1-CD1 4.19Å; L247-F312 HydrophobicContact CD1-CG 4.3Å; L247-F312 HydrophobicContact CD2-CD1 3.62Å; L247-F312 HydrophobicContact CD2-CD2 4Å; L247-F312 HydrophobicContact CD2-CE1 3.61Å; L247-F312 HydrophobicContact CD2-CE2 4.04Å; L247-F312 HydrophobicContact CD2-CG 3.82Å; L247-F312 HydrophobicContact CD2-CZ 3.83Å; L247-F312 HydrophobicContact CG-CD1 4.08Å; L247-F312 HydrophobicContact CG-CE1 4.3Å; L247-F312 HydrophobicContact CG-CG 4.48Å; L250-F312 HydrophobicContact CD2-CZ 4.49Å; G290-F312 CarbonylContact O-C 3.54Å; G290-F312 VanDerWaalsContact O-CA 3.3Å; G290-F312 WeakPolarHBondContact O-CA 3.3Å; C291-F312 HydrophobicContact CB-CB 3.38Å; W310-F312 HydrophobicContact CE3-CD1 4.03Å; W310-F312 HydrophobicContact CE3-CE1 4.49Å; W310-F312 HydrophobicContact CH2-CD1 4.32Å; W310-F312 AromaticContact CH2-CE1 3.98Å; W310-F312 HydrophobicContact CH2-CE1 3.98Å; W310-F312 AromaticContact CZ3-CD1 3.51Å; W310-F312 HydrophobicContact CZ3-CD1 3.51Å; W310-F312 AromaticContact CZ3-CE1 3.56Å; W310-F312 HydrophobicContact CZ3-CE1 3.56Å; F312-L314 HydrophobicContact CE2-CD2 3.95Å
313	G	98.4	Very high	97.7	Very high	13 Å²	13	24.1 Å²	24.1	13%	0.134	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.9	171	0	0	0	0	0	110.1	L194 L289 G290	L194-G313 WeakPolarHBondContact O-CA 3.45Å; L289-G313 VanDerWaalsContact CA-O 3.28Å; L289-G313 WeakPolarHBondContact CA-O 3.42Å; L289-G313 VanDerWaalsContact CB-O 3.26Å; L289-G313 WeakPolarHBondContact CB-O 3.4Å; G290-G313 PolarHBondContact N-O 2.81Å; G290-G313 VanDerWaalsContact N-O 3.17Å; G290-G313 PolarHBondContact O-N 3.48Å
314	L	96.4	Very high	97.6	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	144.6	177.6	68.8	82	0	0	0	111.8	Q193 L194 L250 L289 F312 L316 L319	Q193-L314 WeakPolarHBondContact CA-O 3.37Å; L194-L314 HydrophobicContact CB-CD1 3.84Å; L194-L314 HydrophobicContact CB-CD2 4.41Å; L194-L314 HydrophobicContact CB-CG 3.89Å; L194-L314 HydrophobicContact CD2-CD2 4.02Å; L194-L314 HydrophobicContact CD2-CG 4.26Å; L194-L314 PolarHBondContact N-O 3.43Å; L194-L314 PolarHBondContact O-N 2.9Å; L250-L314 HydrophobicContact CD2-CD2 4.37Å; L289-L314 HydrophobicContact CB-CB 3.8Å; L289-L314 HydrophobicContact CD2-CB 4.35Å; F312-L314 HydrophobicContact CE2-CD2 3.95Å; L314-L316 HydrophobicContact CD1-CD2 3.42Å; L314-L316 VanDerWaalsContact CD1-CD2 3.42Å; L314-L316 HydrophobicContact CD1-CG 3.96Å; L314-L319 HydrophobicContact CD1-CD2 4.36Å
315	G	97.7	Very high	97.4	Very high	15 Å²	15	23.6 Å²	23.6	16%	0.155	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.7	173.2	0	0	0	0	0	111.1	V288 E317 R318 L319	V288-G315 PolarHBondContact O-N 2.87Å; V288-G315 VanDerWaalsContact O-N 3.15Å; G315-E317 PolarHBondContact O-N 2.99Å; G315-R318 PolarHBondContact O-N 3.36Å; G315-L319 WeakPolarHBondContact O-CB 3.46Å; G315-L319 PolarHBondContact O-N 2.85Å; G315-L319 VanDerWaalsContact O-N 3.09Å
316	L	98.4	Very high	97.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66	-41	-174.3	-70.1	175.7	0	0	0	112.4	H79 L86 I89 V174 H192 L194 L314 L319 A320	H79-L316 HydrophobicContact CB-CD1 4.45Å; L86-L316 HydrophobicContact CD2-CB 3.88Å; I89-L316 HydrophobicContact CB-CD2 4.17Å; I89-L316 HydrophobicContact CG2-CD2 3.56Å; V174-L316 HydrophobicContact CG1-CD1 3.89Å; H192-L316 HydrophobicContact CB-CB 4.19Å; H192-L316 HydrophobicContact CB-CD1 3.77Å; H192-L316 HydrophobicContact CB-CG 4.4Å; H192-L316 PolarHBondContact O-N 2.82Å; L194-L316 HydrophobicContact CB-CD2 4.25Å; L314-L316 HydrophobicContact CD1-CD2 3.42Å; L314-L316 VanDerWaalsContact CD1-CD2 3.42Å; L314-L316 HydrophobicContact CD1-CG 3.96Å; L316-L319 PolarHBondContact O-N 3.4Å; L316-A320 VanDerWaalsContact O-CB 3.25Å; L316-A320 WeakPolarHBondContact O-CB 3.43Å; L316-A320 PolarHBondContact O-N 3.06Å
317	E	98.3	Very high	97.1	Very high	5 Å²	5	16.6 Å²	16.6	2%	0.023	9%	0.088	C	C	.	.	H	α-helix	trans	-63.6	-46.4	178.3	-75.2	79.7	173.2	0	0	111.2	L86 F191 H192 G315 L319 A320 M321 I329 F332	L86-E317 HydrophobicContact CD1-CG 4.37Å; L86-E317 WeakPolarHBondContact CD1-OE1 3.34Å; L86-E317 HydrophobicContact CD2-CG 4.02Å; F191-E317 WeakPolarHBondContact CA-OE1 3.4Å; F191-E317 HydrophobicContact CB-CG 4.39Å; F191-E317 WeakPolarHBondContact CB-OE2 3.44Å; H192-E317 IonicContact CE1-OE1 2.75Å; H192-E317 IonicContact CG-OE1 2.72Å; H192-E317 VanDerWaalsContact N-CD 3.26Å; H192-E317 PolarHBondContact N-OE1 2.87Å; H192-E317 PolarHBondContact N-OE2 2.88Å; H192-E317 IonicContact ND1-OE1 2.77Å; H192-E317 PolarHBondContact ND1-OE1 2.82Å; G315-E317 PolarHBondContact O-N 2.99Å; E317-L319 VanDerWaalsContact C-N 3.32Å; E317-L319 PolarHBondContact O-N 3.17Å; E317-A320 PolarHBondContact O-N 3Å; E317-M321 WeakPolarHBondContact O-CB 3.41Å; E317-M321 WeakPolarHBondContact O-CG 3.48Å; E317-M321 PolarHBondContact O-N 2.96Å; E317-I329 HydrophobicContact CB-CD1 3.98Å; E317-I329 HydrophobicContact CB-CG1 4.2Å; E317-I329 HydrophobicContact CG-CD1 3.95Å; E317-I329 HydrophobicContact CG-CG1 3.95Å; E317-F332 HydrophobicContact CB-CD2 4.23Å; E317-F332 HydrophobicContact CB-CE2 3.86Å; E317-F332 HydrophobicContact CG-CD2 3.64Å; E317-F332 HydrophobicContact CG-CE2 3.78Å; E317-F332 HydrophobicContact CG-CG 4.33Å
318	R	96.3	Very high	97	Very high	77 Å²	77	14.6 Å²	14.6	29%	0.291	8%	0.081	S	C	.	.	H	α-helix	trans	-63.6	-42.7	-179.3	-171.7	170	-76.1	-163	-2.8	111.1	E287 V288 G315 M321 I322	E287-R318 WeakPolarHBondContact O-CD 3.35Å; E287-R318 PolarHBondContact O-NH1 3Å; V288-R318 HydrophobicContact CG1-CG 4.22Å; G315-R318 PolarHBondContact O-N 3.36Å; R318-M321 PolarHBondContact O-N 3.39Å; R318-I322 HydrophobicContact CG-CD1 4.28Å; R318-I322 WeakPolarHBondContact O-CG1 3.47Å; R318-I322 PolarHBondContact O-N 2.83Å
319	L	96.4	Very high	96.9	Very high	6 Å²	6	14.9 Å²	14.9	3%	0.031	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-42.7	175.1	-154.3	69.3	0	0	0	111.7	I89 L254 F255 I279 V288 L314 G315 L316 E317 I322 L323	I89-L319 HydrophobicContact CD1-CB 4.25Å; I89-L319 HydrophobicContact CG2-CD2 3.97Å; L254-L319 HydrophobicContact CD1-CD2 3.62Å; F255-L319 HydrophobicContact CE2-CD1 3.63Å; F255-L319 HydrophobicContact CE2-CG 4.02Å; F255-L319 HydrophobicContact CZ-CD1 3.67Å; F255-L319 HydrophobicContact CZ-CG 3.95Å; I279-L319 HydrophobicContact CD1-CD1 4.25Å; V288-L319 HydrophobicContact CB-CD1 4.11Å; V288-L319 HydrophobicContact CG1-CD1 4.32Å; V288-L319 HydrophobicContact CG2-CD1 4.28Å; L314-L319 HydrophobicContact CD1-CD2 4.36Å; G315-L319 WeakPolarHBondContact O-CB 3.46Å; G315-L319 PolarHBondContact O-N 2.85Å; G315-L319 VanDerWaalsContact O-N 3.09Å; L316-L319 PolarHBondContact O-N 3.4Å; E317-L319 VanDerWaalsContact C-N 3.32Å; E317-L319 PolarHBondContact O-N 3.17Å; L319-I322 PolarHBondContact O-N 3.31Å; L319-L323 WeakPolarHBondContact O-CB 3.38Å; L319-L323 PolarHBondContact O-N 2.95Å
320	A	97.6	Very high	96.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.5	-38.7	176.7	0	0	0	0	0	113.2	L86 I89 L316 E317 I322 L323 Y324 F332	L86-A320 HydrophobicContact CD2-CB 4.18Å; I89-A320 VanDerWaalsContact CD1-CA 3.48Å; I89-A320 HydrophobicContact CD1-CB 3.53Å; L316-A320 VanDerWaalsContact O-CB 3.25Å; L316-A320 WeakPolarHBondContact O-CB 3.43Å; L316-A320 PolarHBondContact O-N 3.06Å; E317-A320 PolarHBondContact O-N 3Å; A320-I322 VanDerWaalsContact C-N 3.34Å; A320-L323 PolarHBondContact O-N 2.8Å; A320-Y324 HydrophobicContact CB-CD2 3.97Å; A320-Y324 HydrophobicContact CB-CE2 4.22Å; A320-Y324 VanDerWaalsContact O-CB 3.31Å; A320-Y324 WeakPolarHBondContact O-CB 3.39Å; A320-Y324 WeakPolarHBondContact O-CD2 3.41Å; A320-Y324 PolarHBondContact O-N 3.33Å; A320-F332 HydrophobicContact CB-CE1 3.78Å; A320-F332 HydrophobicContact CB-CZ 3.55Å
321	M	96.6	Very high	96.6	Very high	27 Å²	27	15.7 Å²	15.7	13%	0.133	9%	0.085	C	C	.	.	H	α-helix	trans	-62.3	-43.1	177.6	-73.4	173.2	70.4	0	0	111.5	E317 R318 D325 I326 I329 F332	E317-M321 WeakPolarHBondContact O-CB 3.41Å; E317-M321 WeakPolarHBondContact O-CG 3.48Å; E317-M321 PolarHBondContact O-N 2.96Å; R318-M321 PolarHBondContact O-N 3.39Å; M321-D325 CarbonylContact O-C 3.56Å; M321-D325 VanDerWaalsContact O-CA 3.24Å; M321-D325 WeakPolarHBondContact O-CA 3.44Å; M321-D325 PolarHBondContact O-N 3.37Å; M321-D325 VanDerWaalsContact O-N 3.09Å; M321-I326 WeakPolarHBondContact CB-O 3.31Å; M321-I326 HydrophobicContact CG-CB 4.24Å; M321-I326 HydrophobicContact CG-CG2 4.48Å; M321-I326 WeakPolarHBondContact CG-O 3.43Å; M321-I326 PolarHBondContact O-N 3.2Å; M321-I329 HydrophobicContact SD-CB 4.25Å; M321-F332 HydrophobicContact CG-CE2 3.82Å; M321-F332 HydrophobicContact CG-CZ 4.04Å; M321-F332 HydrophobicContact SD-CE2 4.34Å
322	I	95	Very high	96.6	Very high	10 Å²	10	15.7 Å²	15.7	5%	0.051	9%	0.085	C	C	.	.	H	α-helix	trans	-71.5	-48.1	176.2	-60.6	168.6	0	0	0	110.6	F255 I279 F281 L286 V288 R318 L319 A320 Y324	F255-I322 HydrophobicContact CE1-CB 4.13Å; F255-I322 HydrophobicContact CE1-CG2 3.6Å; F255-I322 HydrophobicContact CZ-CB 4.44Å; F255-I322 HydrophobicContact CZ-CG2 4.21Å; I279-I322 HydrophobicContact CG2-CG2 4.16Å; F281-I322 HydrophobicContact CB-CG1 4.41Å; F281-I322 HydrophobicContact CB-CG2 4.12Å; F281-I322 HydrophobicContact CD1-CG1 4.22Å; F281-I322 HydrophobicContact CD2-CB 4.36Å; F281-I322 HydrophobicContact CD2-CG2 3.57Å; F281-I322 HydrophobicContact CE2-CG2 4.07Å; F281-I322 HydrophobicContact CG-CB 4.44Å; F281-I322 HydrophobicContact CG-CG1 4.17Å; F281-I322 HydrophobicContact CG-CG2 3.87Å; L286-I322 HydrophobicContact CB-CD1 4.27Å; L286-I322 HydrophobicContact CD1-CD1 4.14Å; L286-I322 HydrophobicContact CD1-CG1 4.28Å; V288-I322 HydrophobicContact CG1-CD1 3.56Å; R318-I322 HydrophobicContact CG-CD1 4.28Å; R318-I322 WeakPolarHBondContact O-CG1 3.47Å; R318-I322 PolarHBondContact O-N 2.83Å; L319-I322 PolarHBondContact O-N 3.31Å; A320-I322 VanDerWaalsContact C-N 3.34Å; I322-Y324 PolarHBondContact O-N 3.5Å
323	L	95.2	Very high	96.4	Very high	32 Å²	32	16.7 Å²	16.7	17%	0.168	9%	0.089	C	C	.	.	H	α-helix	trans	-65.6	-38.8	-173.6	179.9	60.1	0	0	0	112.6	I89 L254 F255 L319 A320	I89-L323 HydrophobicContact CD1-CD2 4.39Å; I89-L323 HydrophobicContact CG1-CD2 4.34Å; L254-L323 VanDerWaalsContact O-CD1 3.27Å; L254-L323 WeakPolarHBondContact O-CD1 3.27Å; F255-L323 HydrophobicContact CD1-CB 4.29Å; F255-L323 HydrophobicContact CD1-CD1 3.63Å; F255-L323 HydrophobicContact CD2-CD1 4.46Å; F255-L323 VanDerWaalsContact CE1-CA 3.42Å; F255-L323 HydrophobicContact CE1-CB 3.59Å; F255-L323 HydrophobicContact CE1-CD1 3.83Å; F255-L323 HydrophobicContact CE1-CG 4.3Å; F255-L323 HydrophobicContact CG-CD1 3.98Å; F255-L323 HydrophobicContact CZ-CB 3.82Å; F255-L323 HydrophobicContact CZ-CD1 4.32Å; L319-L323 WeakPolarHBondContact O-CB 3.38Å; L319-L323 PolarHBondContact O-N 2.95Å; A320-L323 PolarHBondContact O-N 2.8Å
324	Y	96.3	Very high	96.1	Very high	7 Å²	7	16.8 Å²	16.8	3%	0.027	9%	0.087	C	C	.	.	H	α-helix	trans	-105.8	-1.1	-173.2	-56.7	-51.7	0	0	0	113.5	P85 I89 A320 I322 I326 F343 V352 F354	P85-Y324 HydrophobicContact CB-CD2 4.12Å; P85-Y324 HydrophobicContact CB-CE2 3.94Å; I89-Y324 HydrophobicContact CD1-CE2 4.1Å; I89-Y324 HydrophobicContact CG1-CE2 4.06Å; A320-Y324 HydrophobicContact CB-CD2 3.97Å; A320-Y324 HydrophobicContact CB-CE2 4.22Å; A320-Y324 VanDerWaalsContact O-CB 3.31Å; A320-Y324 WeakPolarHBondContact O-CB 3.39Å; A320-Y324 WeakPolarHBondContact O-CD2 3.41Å; A320-Y324 PolarHBondContact O-N 3.33Å; I322-Y324 PolarHBondContact O-N 3.5Å; Y324-I326 HydrophobicContact CD2-CD1 4.15Å; Y324-F343 HydrophobicContact CD1-CE1 4.12Å; Y324-F343 AromaticContact CD2-CE1 3.75Å; Y324-F343 HydrophobicContact CD2-CE1 3.75Å; Y324-F343 HydrophobicContact CD2-CZ 4.48Å; Y324-F343 HydrophobicContact CE2-CE1 4.18Å; Y324-F343 AromaticContact CG-CE1 3.71Å; Y324-F343 HydrophobicContact CG-CE1 3.71Å; Y324-F343 HydrophobicContact CG-CZ 4.45Å; Y324-V352 HydrophobicContact CD1-CB 4.09Å; Y324-V352 WeakPolarHBondContact CD1-O 3.3Å; Y324-V352 HydrophobicContact CE1-CB 4.11Å; Y324-F354 WeakPolarHBondContact O-CB 3.47Å; Y324-F354 PolarHBondContact O-N 3.05Å
325	D	94.9	Very high	95.9	Very high	42 Å²	42	24 Å²	24	23%	0.225	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	40	-170.3	-68.2	-23.4	0	0	0	113.2	F281 M321 P327 K353	F281-D325 WeakPolarHBondContact CE2-OD1 3.47Å; F281-D325 WeakPolarHBondContact CZ-OD1 3.41Å; M321-D325 CarbonylContact O-C 3.56Å; M321-D325 VanDerWaalsContact O-CA 3.24Å; M321-D325 WeakPolarHBondContact O-CA 3.44Å; M321-D325 PolarHBondContact O-N 3.37Å; M321-D325 VanDerWaalsContact O-N 3.09Å; D325-P327 WeakPolarHBondContact O-CD 3.12Å; D325-K353 WeakPolarHBondContact OD2-CE 3.39Å; D325-K353 IonicContact OD2-NZ 3.95Å; D325-K353 PolarHBondContact OD2-NZ 2.87Å
326	I	95.9	Very high	95.7	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	12%	0.119	C	C	.	.			trans	-81.2	119.5	177.1	-60.4	165.5	0	0	0	109	P85 M321 Y324 L331 F332 F339 F343 F354	P85-I326 HydrophobicContact CB-CD1 4.5Å; M321-I326 WeakPolarHBondContact CB-O 3.31Å; M321-I326 HydrophobicContact CG-CB 4.24Å; M321-I326 HydrophobicContact CG-CG2 4.48Å; M321-I326 WeakPolarHBondContact CG-O 3.43Å; M321-I326 PolarHBondContact O-N 3.2Å; Y324-I326 HydrophobicContact CD2-CD1 4.15Å; I326-L331 HydrophobicContact CG2-CB 4.1Å; I326-L331 HydrophobicContact CG2-CD1 3.77Å; I326-F332 HydrophobicContact CB-CZ 4.43Å; I326-F332 HydrophobicContact CD1-CE1 3.5Å; I326-F332 VanDerWaalsContact CD1-CE1 3.5Å; I326-F332 HydrophobicContact CD1-CZ 3.61Å; I326-F332 HydrophobicContact CG2-CE2 4.45Å; I326-F332 HydrophobicContact CG2-CZ 4.24Å; I326-F339 HydrophobicContact CD1-CE2 4.1Å; I326-F339 HydrophobicContact CD1-CZ 4.22Å; I326-F339 HydrophobicContact CG1-CE2 4.3Å; I326-F339 HydrophobicContact CG2-CE2 4.33Å; I326-F343 HydrophobicContact CD1-CE1 4.46Å; I326-F343 HydrophobicContact CD1-CZ 3.79Å; I326-F343 HydrophobicContact CG1-CZ 4.29Å; I326-F354 HydrophobicContact CG1-CB 4.21Å; I326-F354 HydrophobicContact CG1-CD1 4.28Å; I326-F354 HydrophobicContact CG1-CG 4.24Å
327	P	93.8	Very high	95.4	Very high	57 Å²	57	28.5 Å²	28.5	37%	0.37	14%	0.139	S	C	.	.			trans	-83.4	-14.5	-167.9	32.5	-38	0	0	0	115	D325 L331 F354	D325-P327 WeakPolarHBondContact O-CD 3.12Å; P327-L331 HydrophobicContact CG-CD1 4.08Å; P327-F354 HydrophobicContact CG-CE1 4.41Å
328	D	95.1	Very high	95.2	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.032	15%	0.153	C	C	.	.			trans	-151.2	127.3	-171.8	-165.8	-60.5	0	0	0	111	R330 L331 M421	D328-R330 PolarHBondContact O-N 3.39Å; D328-R330 VanDerWaalsContact O-N 3.17Å; D328-R330 VanDerWaalsContact OD1-CB 3.22Å; D328-R330 WeakPolarHBondContact OD1-CB 3.28Å; D328-R330 VanDerWaalsContact OD1-CG 3.27Å; D328-R330 WeakPolarHBondContact OD1-CG 3.46Å; D328-R330 IonicContact OD1-CZ 3.4Å; D328-R330 PolarHBondContact OD1-N 2.82Å; D328-R330 IonicContact OD1-NE 3.26Å; D328-R330 PolarHBondContact OD1-NE 2.82Å; D328-R330 IonicContact OD1-NH2 2.7Å; D328-R330 IonicContact OD2-CZ 2.77Å; D328-R330 IonicContact OD2-NE 3.51Å; D328-R330 PolarHBondContact OD2-NE 3.09Å; D328-R330 IonicContact OD2-NH2 3.8Å; D328-R330 PolarHBondContact OD2-NH2 3.09Å; D328-L331 WeakPolarHBondContact O-CB 3.48Å; D328-L331 PolarHBondContact O-N 3.26Å; D328-L331 VanDerWaalsContact O-N 3.11Å; D328-M421 HydrophobicContact CB-CE 3.86Å; D328-M421 HydrophobicContact CB-SD 4.31Å
329	I	97.1	Very high	95.2	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.026	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-59	-25.8	-178.4	-166.1	165.1	0	0	0	113.3	S185 Y188 E317 M321 L331 F332	S185-I329 WeakPolarHBondContact O-CG2 3.26Å; S185-I329 PolarHBondContact O-N 2.95Å; Y188-I329 HydrophobicContact CD2-CG2 4.34Å; E317-I329 HydrophobicContact CB-CD1 3.98Å; E317-I329 HydrophobicContact CB-CG1 4.2Å; E317-I329 HydrophobicContact CG-CD1 3.95Å; E317-I329 HydrophobicContact CG-CG1 3.95Å; M321-I329 HydrophobicContact SD-CB 4.25Å; I329-L331 PolarHBondContact O-N 3.38Å; I329-F332 HydrophobicContact CG1-CD2 4.02Å; I329-F332 HydrophobicContact CG1-CE2 4.44Å; I329-F332 VanDerWaalsContact O-CD2 3.26Å; I329-F332 WeakPolarHBondContact O-CD2 3.48Å; I329-F332 PolarHBondContact O-N 2.99Å
330	R	95.3	Very high	95.1	Very high	15 Å²	15	29.6 Å²	29.6	6%	0.057	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-64	-23	178.4	-63.4	174	-67.3	160.1	-1.5	112.5	Y188 D328 F332 W333 S334 D391 V393 E394 R419 M421	Y188-R330 HydrophobicContact CD2-CG 4.16Å; Y188-R330 HydrophobicContact CE2-CG 4Å; D328-R330 PolarHBondContact O-N 3.39Å; D328-R330 VanDerWaalsContact O-N 3.17Å; D328-R330 VanDerWaalsContact OD1-CB 3.22Å; D328-R330 WeakPolarHBondContact OD1-CB 3.28Å; D328-R330 VanDerWaalsContact OD1-CG 3.27Å; D328-R330 WeakPolarHBondContact OD1-CG 3.46Å; D328-R330 IonicContact OD1-CZ 3.4Å; D328-R330 PolarHBondContact OD1-N 2.82Å; D328-R330 IonicContact OD1-NE 3.26Å; D328-R330 PolarHBondContact OD1-NE 2.82Å; D328-R330 IonicContact OD1-NH2 2.7Å; D328-R330 IonicContact OD2-CZ 2.77Å; D328-R330 IonicContact OD2-NE 3.51Å; D328-R330 PolarHBondContact OD2-NE 3.09Å; D328-R330 IonicContact OD2-NH2 3.8Å; D328-R330 PolarHBondContact OD2-NH2 3.09Å; R330-F332 VanDerWaalsContact C-N 3.25Å; R330-F332 PolarHBondContact O-N 3.43Å; R330-W333 PolarHBondContact O-N 3.06Å; R330-S334 PolarHBondContact O-N 2.99Å; R330-D391 PolarHBondContact NH1-O 2.92Å; R330-V393 PolarHBondContact NH1-O 2.8Å; R330-E394 IonicContact NH2-OE2 3.81Å; R330-R419 PolarHBondContact NH1-O 3.06Å; R330-M421 PolarHBondContact NH2-SD 3.38Å
331	L	96.5	Very high	95.1	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-62.6	-31	178.2	-72.6	169.7	0	0	0	112.8	I326 P327 D328 I329 W333 S334 F339 F354 L357 M421	I326-L331 HydrophobicContact CG2-CB 4.1Å; I326-L331 HydrophobicContact CG2-CD1 3.77Å; P327-L331 HydrophobicContact CG-CD1 4.08Å; D328-L331 WeakPolarHBondContact O-CB 3.48Å; D328-L331 PolarHBondContact O-N 3.26Å; D328-L331 VanDerWaalsContact O-N 3.11Å; I329-L331 PolarHBondContact O-N 3.38Å; L331-W333 PolarHBondContact O-N 3.07Å; L331-W333 VanDerWaalsContact O-N 3.16Å; L331-S334 WeakPolarHBondContact O-CB 3.5Å; L331-S334 PolarHBondContact O-N 3.02Å; L331-S334 VanDerWaalsContact O-N 3.13Å; L331-F339 HydrophobicContact CB-CD2 4.04Å; L331-F339 HydrophobicContact CB-CE2 3.76Å; L331-F339 HydrophobicContact CB-CZ 4.05Å; L331-F339 HydrophobicContact CD1-CE2 4.5Å; L331-F339 HydrophobicContact CD2-CD2 4.4Å; L331-F339 WeakPolarHBondContact O-CD1 3.36Å; L331-F339 WeakPolarHBondContact O-CE1 3.06Å; L331-F354 HydrophobicContact CD1-CE1 4.05Å; L331-F354 HydrophobicContact CD1-CZ 4.06Å; L331-L357 HydrophobicContact CD2-CD1 4.3Å; L331-M421 HydrophobicContact CD1-CE 3.9Å; L331-M421 HydrophobicContact CD2-CB 4Å; L331-M421 HydrophobicContact CD2-CE 3.88Å; L331-M421 HydrophobicContact CD2-CG 4.27Å; L331-M421 HydrophobicContact CG-CE 3.83Å
332	F	97.8	Very high	95.1	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-62.6	-21.4	174.8	-62.5	-64.7	0	0	0	113	L78 H84 P85 L86 E317 A320 M321 I326 I329 R330 F339	L78-F332 WeakPolarHBondContact CD1-O 3.3Å; H84-F332 AromaticContact CE1-CD1 3.93Å; H84-F332 PolarHBondContact NE2-O 2.78Å; P85-F332 HydrophobicContact CB-CD1 4.49Å; P85-F332 HydrophobicContact CB-CE1 4.05Å; P85-F332 HydrophobicContact CG-CD1 3.62Å; P85-F332 HydrophobicContact CG-CE1 3.64Å; L86-F332 HydrophobicContact CD2-CD1 4.07Å; L86-F332 HydrophobicContact CD2-CE1 3.95Å; L86-F332 HydrophobicContact CD2-CZ 4.36Å; L86-F332 HydrophobicContact CG-CD1 4.11Å; L86-F332 HydrophobicContact CG-CE1 4.42Å; E317-F332 HydrophobicContact CB-CD2 4.23Å; E317-F332 HydrophobicContact CB-CE2 3.86Å; E317-F332 HydrophobicContact CG-CD2 3.64Å; E317-F332 HydrophobicContact CG-CE2 3.78Å; E317-F332 HydrophobicContact CG-CG 4.33Å; A320-F332 HydrophobicContact CB-CE1 3.78Å; A320-F332 HydrophobicContact CB-CZ 3.55Å; M321-F332 HydrophobicContact CG-CE2 3.82Å; M321-F332 HydrophobicContact CG-CZ 4.04Å; M321-F332 HydrophobicContact SD-CE2 4.34Å; I326-F332 HydrophobicContact CB-CZ 4.43Å; I326-F332 HydrophobicContact CD1-CE1 3.5Å; I326-F332 VanDerWaalsContact CD1-CE1 3.5Å; I326-F332 HydrophobicContact CD1-CZ 3.61Å; I326-F332 HydrophobicContact CG2-CE2 4.45Å; I326-F332 HydrophobicContact CG2-CZ 4.24Å; I329-F332 HydrophobicContact CG1-CD2 4.02Å; I329-F332 HydrophobicContact CG1-CE2 4.44Å; I329-F332 VanDerWaalsContact O-CD2 3.26Å; I329-F332 WeakPolarHBondContact O-CD2 3.48Å; I329-F332 PolarHBondContact O-N 2.99Å; R330-F332 VanDerWaalsContact C-N 3.25Å; R330-F332 PolarHBondContact O-N 3.43Å; F332-F339 HydrophobicContact CD1-CZ 4.24Å
333	W	96.3	Very high	95.3	Very high	24 Å²	24	35.8 Å²	35.8	9%	0.091	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-101.1	0.1	-179.5	-60.2	89.5	0	0	0	113.1	R73 R76 L78 Y188 I190 R330 L331	R73-W333 HydrophobicContact CB-CH2 4.46Å; R73-W333 HydrophobicContact CB-CZ3 4.19Å; R73-W333 HydrophobicContact CG-CZ3 4.27Å; R76-W333 HydrophobicContact CB-CZ3 4.23Å; R76-W333 HydrophobicContact CG-CZ3 4.03Å; L78-W333 HydrophobicContact CD1-CD2 3.8Å; L78-W333 HydrophobicContact CD1-CE3 3.81Å; L78-W333 HydrophobicContact CD1-CG 4.43Å; L78-W333 HydrophobicContact CD1-CH2 4.06Å; L78-W333 HydrophobicContact CD1-CZ2 4.03Å; L78-W333 HydrophobicContact CD1-CZ3 3.94Å; L78-W333 HydrophobicContact CG-CZ3 4.38Å; Y188-W333 AromaticContact CD1-CD1 3.75Å; Y188-W333 HydrophobicContact CD1-CD2 4.37Å; Y188-W333 AromaticContact CD1-CE2 3.65Å; Y188-W333 HydrophobicContact CD1-CG 4.42Å; Y188-W333 HydrophobicContact CD1-CZ2 4.11Å; Y188-W333 AromaticContact CD1-NE1 3.21Å; Y188-W333 AromaticContact CE1-CD1 3.52Å; Y188-W333 AromaticContact CE1-CD2 3.75Å; Y188-W333 HydrophobicContact CE1-CD2 3.75Å; Y188-W333 AromaticContact CE1-CE2 3.47Å; Y188-W333 VanDerWaalsContact CE1-CE2 3.47Å; Y188-W333 AromaticContact CE1-CG 3.79Å; Y188-W333 HydrophobicContact CE1-CG 3.79Å; Y188-W333 HydrophobicContact CE1-CZ2 4.09Å; Y188-W333 AromaticContact CE1-NE1 3.32Å; Y188-W333 VanDerWaalsContact CE1-NE1 3.32Å; Y188-W333 AromaticContact CG-NE1 3.95Å; Y188-W333 AromaticContact CZ-CD1 3.86Å; I190-W333 HydrophobicContact CB-CH2 3.95Å; I190-W333 HydrophobicContact CB-CZ2 3.74Å; I190-W333 HydrophobicContact CD1-CH2 4.35Å; I190-W333 HydrophobicContact CG2-CH2 3.78Å; I190-W333 HydrophobicContact CG2-CZ2 3.87Å; I190-W333 WeakPolarHBondContact O-CZ2 3.38Å; R330-W333 PolarHBondContact O-N 3.06Å; L331-W333 PolarHBondContact O-N 3.07Å; L331-W333 VanDerWaalsContact O-N 3.16Å
334	S	92.2	Very high	95.3	Very high	14 Å²	14	40.5 Å²	40.5	10%	0.098	19%	0.186	C	C	.	.			trans	-78.1	142.1	178.6	174.8	0	0	0	0	111.4	R330 L331 D336 E422	R330-S334 PolarHBondContact O-N 2.99Å; L331-S334 WeakPolarHBondContact O-CB 3.5Å; L331-S334 PolarHBondContact O-N 3.02Å; L331-S334 VanDerWaalsContact O-N 3.13Å; S334-D336 VanDerWaalsContact C-N 3.33Å; S334-D336 WeakPolarHBondContact OG-CB 3.45Å; S334-D336 PolarHBondContact OG-N 2.78Å; S334-E422 WeakPolarHBondContact CB-OE1 3.26Å; S334-E422 PolarHBondContact OG-OE1 3.41Å
335	E	92.1	Very high	95.3	Very high	153 Å²	153	41 Å²	41	72%	0.715	19%	0.189	S	C	*	.			trans	-95.3	9.7	170.8	-63.8	-178.2	171.6	0	0	111.8	E337	E335-E337 PolarHBondContact O-N 3.18Å
336	D	92.6	Very high	95.3	Very high	21 Å²	21	45.1 Å²	45.1	11%	0.112	22%	0.221	C	C	.	.			trans	-68.8	115	-179.9	-169.3	-19.9	0	0	0	111.1	S334 R338 F339 L340 E422	S334-D336 VanDerWaalsContact C-N 3.33Å; S334-D336 WeakPolarHBondContact OG-CB 3.45Å; S334-D336 PolarHBondContact OG-N 2.78Å; D336-R338 PolarHBondContact O-N 3.01Å; D336-R338 VanDerWaalsContact O-N 3.1Å; D336-R338 WeakPolarHBondContact OD1-CB 3.45Å; D336-R338 VanDerWaalsContact OD1-CG 3.24Å; D336-R338 WeakPolarHBondContact OD1-CG 2.78Å; D336-R338 PolarHBondContact OD1-N 3.27Å; D336-R338 IonicContact OD1-NE 2.78Å; D336-R338 PolarHBondContact OD1-NE 3.31Å; D336-R338 VanDerWaalsContact OD1-NE 3.15Å; D336-R338 IonicContact OD2-CZ 3.1Å; D336-R338 IonicContact OD2-NE 2.64Å; D336-R338 PolarHBondContact OD2-NE 3.33Å; D336-R338 IonicContact OD2-NH2 3.09Å; D336-R338 PolarHBondContact OD2-NH2 2.97Å; D336-F339 WeakPolarHBondContact O-CB 3.39Å; D336-F339 PolarHBondContact O-N 2.75Å; D336-L340 PolarHBondContact O-N 2.64Å; D336-E422 HydrophobicContact CB-CG 4.13Å
337	E	93.3	Very high	95.2	Very high	90 Å²	90	49.2 Å²	49.2	42%	0.421	24%	0.243	S	C	.	.	H	α-helix	trans	-58.8	-23.3	176.7	-75.1	-67.9	128.4	0	0	113	E335 F339 K341 R344	E335-E337 PolarHBondContact O-N 3.18Å; E337-F339 PolarHBondContact O-N 3.05Å; E337-K341 VanDerWaalsContact O-CB 3.22Å; E337-K341 WeakPolarHBondContact O-CB 3.44Å; E337-K341 VanDerWaalsContact O-CD 3.22Å; E337-K341 WeakPolarHBondContact O-CD 3.41Å; E337-K341 WeakPolarHBondContact O-CG 3.44Å; E337-K341 PolarHBondContact O-N 2.86Å; E337-K341 VanDerWaalsContact O-N 3.11Å; E337-R344 VanDerWaalsContact CD-NH2 3.29Å; E337-R344 IonicContact OE1-CZ 3.83Å; E337-R344 IonicContact OE1-NH2 2.81Å; E337-R344 PolarHBondContact OE1-NH2 3.49Å; E337-R344 IonicContact OE2-CZ 3.22Å; E337-R344 IonicContact OE2-NH1 2.72Å; E337-R344 PolarHBondContact OE2-NH1 3Å; E337-R344 IonicContact OE2-NH2 2.95Å; E337-R344 PolarHBondContact OE2-NH2 2.9Å
338	R	93.4	Very high	95.3	Very high	89 Å²	89	48.1 Å²	48.1	34%	0.336	23%	0.234	S	C	.	.	H	α-helix	trans	-63.2	-30.3	172.9	-60.9	177.1	-69.5	-179.2	-4.9	112.1	D336 Q342 L357 Y360 E422	D336-R338 PolarHBondContact O-N 3.01Å; D336-R338 VanDerWaalsContact O-N 3.1Å; D336-R338 WeakPolarHBondContact OD1-CB 3.45Å; D336-R338 VanDerWaalsContact OD1-CG 3.24Å; D336-R338 WeakPolarHBondContact OD1-CG 2.78Å; D336-R338 PolarHBondContact OD1-N 3.27Å; D336-R338 IonicContact OD1-NE 2.78Å; D336-R338 PolarHBondContact OD1-NE 3.31Å; D336-R338 VanDerWaalsContact OD1-NE 3.15Å; D336-R338 IonicContact OD2-CZ 3.1Å; D336-R338 IonicContact OD2-NE 2.64Å; D336-R338 PolarHBondContact OD2-NE 3.33Å; D336-R338 IonicContact OD2-NH2 3.09Å; D336-R338 PolarHBondContact OD2-NH2 2.97Å; R338-Q342 WeakPolarHBondContact O-CG 3.42Å; R338-Q342 PolarHBondContact O-NE2 3.06Å; R338-L357 HydrophobicContact CB-CD2 3.55Å; R338-Y360 PolarHBondContact NH1-OH 3Å; R338-E422 PolarHBondContact NH2-O 2.9Å
339	F	95.5	Very high	95.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-85.7	-58.9	172.9	173.7	-102.3	0	0	0	110.7	P85 I326 L331 F332 D336 E337 K341 Q342 F343 F354	P85-F339 HydrophobicContact CG-CE1 4.28Å; P85-F339 HydrophobicContact CG-CZ 3.98Å; I326-F339 HydrophobicContact CD1-CE2 4.1Å; I326-F339 HydrophobicContact CD1-CZ 4.22Å; I326-F339 HydrophobicContact CG1-CE2 4.3Å; I326-F339 HydrophobicContact CG2-CE2 4.33Å; L331-F339 HydrophobicContact CB-CD2 4.04Å; L331-F339 HydrophobicContact CB-CE2 3.76Å; L331-F339 HydrophobicContact CB-CZ 4.05Å; L331-F339 HydrophobicContact CD1-CE2 4.5Å; L331-F339 HydrophobicContact CD2-CD2 4.4Å; L331-F339 WeakPolarHBondContact O-CD1 3.36Å; L331-F339 WeakPolarHBondContact O-CE1 3.06Å; F332-F339 HydrophobicContact CD1-CZ 4.24Å; D336-F339 WeakPolarHBondContact O-CB 3.39Å; D336-F339 PolarHBondContact O-N 2.75Å; E337-F339 PolarHBondContact O-N 3.05Å; F339-K341 VanDerWaalsContact C-N 3.34Å; F339-K341 PolarHBondContact O-N 3.45Å; F339-Q342 WeakPolarHBondContact O-CB 3.36Å; F339-Q342 PolarHBondContact O-N 2.7Å; F339-Q342 VanDerWaalsContact O-N 3.13Å; F339-F343 HydrophobicContact CD2-CE2 4.02Å; F339-F343 HydrophobicContact CE1-CE2 4.22Å; F339-F343 AromaticContact CE2-CE2 3.58Å; F339-F343 HydrophobicContact CE2-CE2 3.58Å; F339-F343 HydrophobicContact CE2-CZ 4.18Å; F339-F343 HydrophobicContact CZ-CD2 4.43Å; F339-F343 AromaticContact CZ-CE2 3.7Å; F339-F343 HydrophobicContact CZ-CE2 3.7Å; F339-F343 HydrophobicContact CZ-CZ 4.39Å; F339-F354 HydrophobicContact CD2-CD2 4.08Å; F339-F354 AromaticContact CD2-CE2 3.49Å; F339-F354 HydrophobicContact CD2-CE2 3.49Å; F339-F354 VanDerWaalsContact CD2-CE2 3.49Å; F339-F354 AromaticContact CD2-CZ 3.95Å; F339-F354 HydrophobicContact CD2-CZ 3.95Å; F339-F354 HydrophobicContact CE2-CD2 4.39Å; F339-F354 HydrophobicContact CE2-CE2 4.15Å; F339-F354 HydrophobicContact CG-CE2 4.49Å
340	L	95.9	Very high	95.1	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.11	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-37.5	-169.7	-65.5	176	0	0	0	113.7	D336 Q342 F343	D336-L340 PolarHBondContact O-N 2.64Å; L340-Q342 PolarHBondContact O-N 3.46Å; L340-F343 PolarHBondContact O-N 2.9Å
341	K	96.6	Very high	95	Very high	122 Å²	122	63 Å²	63	53%	0.53	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-65.8	-21.4	-177.9	80.2	-170.1	175.7	179.2	0	113.5	E337 F339 F343 R344	E337-K341 VanDerWaalsContact O-CB 3.22Å; E337-K341 WeakPolarHBondContact O-CB 3.44Å; E337-K341 VanDerWaalsContact O-CD 3.22Å; E337-K341 WeakPolarHBondContact O-CD 3.41Å; E337-K341 WeakPolarHBondContact O-CG 3.44Å; E337-K341 PolarHBondContact O-N 2.86Å; E337-K341 VanDerWaalsContact O-N 3.11Å; F339-K341 VanDerWaalsContact C-N 3.34Å; F339-K341 PolarHBondContact O-N 3.45Å; K341-F343 PolarHBondContact O-N 3.05Å; K341-R344 PolarHBondContact O-N 3.29Å
342	Q	97.1	Very high	94.8	Very high	45 Å²	45	63.8 Å²	63.8	21%	0.21	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-69.9	-21.1	-179.1	-57.7	-169.4	45.7	0	0	112.3	R338 F339 L340 V352 F354 Q355	R338-Q342 WeakPolarHBondContact O-CG 3.42Å; R338-Q342 PolarHBondContact O-NE2 3.06Å; F339-Q342 WeakPolarHBondContact O-CB 3.36Å; F339-Q342 PolarHBondContact O-N 2.7Å; F339-Q342 VanDerWaalsContact O-N 3.13Å; L340-Q342 PolarHBondContact O-N 3.46Å; Q342-V352 WeakPolarHBondContact O-CG1 3.2Å; Q342-F354 VanDerWaalsContact NE2-CE2 3.32Å; Q342-Q355 PolarHBondContact NE2-O 3.2Å
343	F	97.7	Very high	94.5	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-101.8	1.3	179.9	-58.6	-76.9	0	0	0	113	H83 P85 L88 Y324 I326 F339 L340 K341 V345 V352 F354	H83-F343 WeakPolarHBondContact O-CB 3.32Å; P85-F343 HydrophobicContact CB-CD1 3.81Å; P85-F343 HydrophobicContact CB-CD2 4.36Å; P85-F343 HydrophobicContact CB-CE1 3.83Å; P85-F343 HydrophobicContact CB-CE2 4.38Å; P85-F343 HydrophobicContact CB-CG 4.09Å; P85-F343 HydrophobicContact CB-CZ 4.13Å; P85-F343 HydrophobicContact CG-CD2 4.19Å; P85-F343 HydrophobicContact CG-CE2 4.21Å; P85-F343 HydrophobicContact CG-CG 4.34Å; P85-F343 HydrophobicContact CG-CZ 4.39Å; L88-F343 HydrophobicContact CD1-CB 3.85Å; L88-F343 HydrophobicContact CD1-CD1 4.03Å; L88-F343 HydrophobicContact CD1-CG 4.41Å; Y324-F343 HydrophobicContact CD1-CE1 4.12Å; Y324-F343 AromaticContact CD2-CE1 3.75Å; Y324-F343 HydrophobicContact CD2-CE1 3.75Å; Y324-F343 HydrophobicContact CD2-CZ 4.48Å; Y324-F343 HydrophobicContact CE2-CE1 4.18Å; Y324-F343 AromaticContact CG-CE1 3.71Å; Y324-F343 HydrophobicContact CG-CE1 3.71Å; Y324-F343 HydrophobicContact CG-CZ 4.45Å; I326-F343 HydrophobicContact CD1-CE1 4.46Å; I326-F343 HydrophobicContact CD1-CZ 3.79Å; I326-F343 HydrophobicContact CG1-CZ 4.29Å; F339-F343 HydrophobicContact CD2-CE2 4.02Å; F339-F343 HydrophobicContact CE1-CE2 4.22Å; F339-F343 AromaticContact CE2-CE2 3.58Å; F339-F343 HydrophobicContact CE2-CE2 3.58Å; F339-F343 HydrophobicContact CE2-CZ 4.18Å; F339-F343 HydrophobicContact CZ-CD2 4.43Å; F339-F343 AromaticContact CZ-CE2 3.7Å; F339-F343 HydrophobicContact CZ-CE2 3.7Å; F339-F343 HydrophobicContact CZ-CZ 4.39Å; L340-F343 PolarHBondContact O-N 2.9Å; K341-F343 PolarHBondContact O-N 3.05Å; F343-V345 VanDerWaalsContact C-N 3.28Å; F343-V345 PolarHBondContact O-N 3.48Å; F343-V352 HydrophobicContact CD1-CG1 3.92Å; F343-V352 HydrophobicContact CE1-CG1 3.85Å; F343-F354 HydrophobicContact CE2-CD2 4.49Å; F343-F354 HydrophobicContact CZ-CB 4.46Å; F343-F354 HydrophobicContact CZ-CD2 4.46Å
344	R	96.7	Very high	94.5	Very high	132 Å²	132	69.2 Å²	69.2	50%	0.498	33%	0.332	S	S	.	.			trans	-78	80.8	170.6	-66.9	-177.3	-176.3	146.5	8.5	109.6	H83 E337 K341	H83-R344 HydrophobicContact CB-CG 3.87Å; E337-R344 VanDerWaalsContact CD-NH2 3.29Å; E337-R344 IonicContact OE1-CZ 3.83Å; E337-R344 IonicContact OE1-NH2 2.81Å; E337-R344 PolarHBondContact OE1-NH2 3.49Å; E337-R344 IonicContact OE2-CZ 3.22Å; E337-R344 IonicContact OE2-NH1 2.72Å; E337-R344 PolarHBondContact OE2-NH1 3Å; E337-R344 IonicContact OE2-NH2 2.95Å; E337-R344 PolarHBondContact OE2-NH2 2.9Å; K341-R344 PolarHBondContact O-N 3.29Å
345	V	95.8	Very high	94.5	Very high	16 Å²	16	74.3 Å²	74.3	10%	0.097	36%	0.355	C	S	.	.			trans	-102.6	153.2	-179.7	-65.6	0	0	0	0	111.9	L88 F343 N347 Q350 V352	L88-V345 HydrophobicContact CD1-CG2 4.33Å; L88-V345 HydrophobicContact CD2-CG2 3.76Å; F343-V345 VanDerWaalsContact C-N 3.28Å; F343-V345 PolarHBondContact O-N 3.48Å; V345-N347 WeakPolarHBondContact CG2-O 3.43Å; V345-Q350 HydrophobicContact CB-CB 4.01Å; V345-Q350 HydrophobicContact CB-CG 4.46Å; V345-Q350 HydrophobicContact CG1-CB 4.09Å; V345-Q350 HydrophobicContact CG1-CG 4.15Å; V345-V352 HydrophobicContact CG1-CG2 3.44Å; V345-V352 VanDerWaalsContact CG1-CG2 3.44Å
346	S	94.5	Very high	94.3	Very high	129 Å²	129	71.2 Å²	71.2	90%	0.902	35%	0.348	S	S	*	.	S	Bend	trans	-77	-25.8	178.2	-56.2	0	0	0	0	112.9
347	N	95.1	Very high	94	Very high	90 Å²	90	71.7 Å²	71.7	48%	0.481	35%	0.35	S	S	.	.	S	Bend	trans	-135.3	137.7	178.4	-177.7	-48	0	0	0	108.5	V345 D349 Q350	V345-N347 WeakPolarHBondContact CG2-O 3.43Å; N347-D349 PolarHBondContact O-N 3.45Å; N347-D349 WeakPolarHBondContact OD1-CB 3.35Å; N347-D349 PolarHBondContact OD1-N 3.42Å; N347-Q350 VanDerWaalsContact O-CB 3.23Å; N347-Q350 WeakPolarHBondContact O-CB 3.4Å; N347-Q350 PolarHBondContact O-N 3.35Å; N347-Q350 VanDerWaalsContact O-N 3.09Å
348	I	95.8	Very high	93.5	Very high	35 Å²	35	71.7 Å²	71.7	18%	0.179	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.9	-177.6	62	176	0	0	0	113.4	W87 L88 E91 R92 E95 Q350	W87-I348 HydrophobicContact CH2-CG2 4.06Å; W87-I348 HydrophobicContact CZ3-CG2 4.28Å; L88-I348 HydrophobicContact CD2-CB 4.3Å; L88-I348 HydrophobicContact CD2-CG2 4.09Å; E91-I348 HydrophobicContact CB-CD1 3.94Å; E91-I348 HydrophobicContact CB-CG2 4.25Å; R92-I348 WeakPolarHBondContact CD-O 3.48Å; R92-I348 HydrophobicContact CG-CB 4.06Å; R92-I348 HydrophobicContact CG-CD1 4.21Å; R92-I348 HydrophobicContact CG-CG1 4.12Å; E95-I348 HydrophobicContact CB-CD1 4.36Å; I348-Q350 VanDerWaalsContact C-N 3.32Å
349	D	93.3	Very high	92.9	Very high	61 Å²	61	75.8 Å²	75.8	33%	0.326	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.2	176.3	-86.9	-26.5	0	0	0	114.5	R92 H253 N347 K351	R92-D349 IonicContact CZ-OD1 2.88Å; R92-D349 VanDerWaalsContact CZ-OD1 3.3Å; R92-D349 IonicContact NE-OD1 3.55Å; R92-D349 PolarHBondContact NE-OD1 2.93Å; R92-D349 IonicContact NH2-OD1 3.32Å; R92-D349 PolarHBondContact NH2-OD1 2.98Å; H253-D349 IonicContact CE1-OD1 2.68Å; H253-D349 PolarHBondContact CE1-OD1 3Å; H253-D349 IonicContact CE1-OD2 2.88Å; H253-D349 IonicContact NE2-OD1 3.54Å; N347-D349 PolarHBondContact O-N 3.45Å; N347-D349 WeakPolarHBondContact OD1-CB 3.35Å; N347-D349 PolarHBondContact OD1-N 3.42Å; D349-K351 PolarHBondContact O-N 2.94Å; D349-K351 VanDerWaalsContact O-N 3.08Å
350	Q	93.8	Very high	92.5	Very high	99 Å²	99	77.8 Å²	77.8	46%	0.463	39%	0.388	S	S	.	.	S	Bend	trans	-59.8	119.9	174.1	-175.8	179.2	-36.2	0	0	109.4	V345 N347 I348 V352	V345-Q350 HydrophobicContact CB-CB 4.01Å; V345-Q350 HydrophobicContact CB-CG 4.46Å; V345-Q350 HydrophobicContact CG1-CB 4.09Å; V345-Q350 HydrophobicContact CG1-CG 4.15Å; N347-Q350 VanDerWaalsContact O-CB 3.23Å; N347-Q350 WeakPolarHBondContact O-CB 3.4Å; N347-Q350 PolarHBondContact O-N 3.35Å; N347-Q350 VanDerWaalsContact O-N 3.09Å; I348-Q350 VanDerWaalsContact C-N 3.32Å; Q350-V352 PolarHBondContact O-N 2.94Å
351	K	92.6	Very high	92.1	Very high	177 Å²	177	80.5 Å²	80.5	77%	0.77	41%	0.407	S	S	*	.			trans	-62.9	106.6	176	-68.2	-168.8	177.5	-168.9	0	109.9	D349	D349-K351 PolarHBondContact O-N 2.94Å; D349-K351 VanDerWaalsContact O-N 3.08Å
352	V	93.6	Very high	92	Very high	20 Å²	20	77.3 Å²	77.3	12%	0.121	40%	0.398	C	S	.	.			trans	-95.3	133.6	173	-179.1	0	0	0	0	108.5	Y324 Q342 F343 V345 Q350	Y324-V352 HydrophobicContact CD1-CB 4.09Å; Y324-V352 WeakPolarHBondContact CD1-O 3.3Å; Y324-V352 HydrophobicContact CE1-CB 4.11Å; Q342-V352 WeakPolarHBondContact O-CG1 3.2Å; F343-V352 HydrophobicContact CD1-CG1 3.92Å; F343-V352 HydrophobicContact CE1-CG1 3.85Å; V345-V352 HydrophobicContact CG1-CG2 3.44Å; V345-V352 VanDerWaalsContact CG1-CG2 3.44Å; Q350-V352 PolarHBondContact O-N 2.94Å
353	K	91.5	Very high	91.9	Very high	136 Å²	136	76 Å²	76	59%	0.591	39%	0.392	S	S	*	.			trans	-120.9	113.8	165.9	-177.3	165.1	-178.6	128.3	0	108.2	D325 Q355	D325-K353 WeakPolarHBondContact OD2-CE 3.39Å; D325-K353 IonicContact OD2-NZ 3.95Å; D325-K353 PolarHBondContact OD2-NZ 2.87Å; K353-Q355 PolarHBondContact O-N 3.37Å; K353-Q355 PolarHBondContact O-NE2 2.94Å
354	F	94.9	Very high	91.9	Very high	3 Å²	3	80.5 Å²	80.5	1%	0.013	42%	0.416	C	S	.	.			trans	-58.3	131.6	-179.4	175.9	-119.7	0	0	0	109.6	Y324 I326 P327 L331 F339 Q342 F343 P356 L357	Y324-F354 WeakPolarHBondContact O-CB 3.47Å; Y324-F354 PolarHBondContact O-N 3.05Å; I326-F354 HydrophobicContact CG1-CB 4.21Å; I326-F354 HydrophobicContact CG1-CD1 4.28Å; I326-F354 HydrophobicContact CG1-CG 4.24Å; P327-F354 HydrophobicContact CG-CE1 4.41Å; L331-F354 HydrophobicContact CD1-CE1 4.05Å; L331-F354 HydrophobicContact CD1-CZ 4.06Å; F339-F354 HydrophobicContact CD2-CD2 4.08Å; F339-F354 AromaticContact CD2-CE2 3.49Å; F339-F354 HydrophobicContact CD2-CE2 3.49Å; F339-F354 VanDerWaalsContact CD2-CE2 3.49Å; F339-F354 AromaticContact CD2-CZ 3.95Å; F339-F354 HydrophobicContact CD2-CZ 3.95Å; F339-F354 HydrophobicContact CE2-CD2 4.39Å; F339-F354 HydrophobicContact CE2-CE2 4.15Å; F339-F354 HydrophobicContact CG-CE2 4.49Å; Q342-F354 VanDerWaalsContact NE2-CE2 3.32Å; F343-F354 HydrophobicContact CE2-CD2 4.49Å; F343-F354 HydrophobicContact CZ-CB 4.46Å; F343-F354 HydrophobicContact CZ-CD2 4.46Å; F354-P356 HydrophobicContact CE1-CB 4.36Å; F354-P356 WeakPolarHBondContact O-CD 3.19Å; F354-L357 HydrophobicContact CZ-CG 4.2Å
355	Q	93.6	Very high	91.9	Very high	122 Å²	122	76.3 Å²	76.3	57%	0.57	40%	0.403	S	S	*	.			trans	-91.4	111.9	169.2	-62.3	-54.7	-52.8	0	0	108	Q342 K353 L357	Q342-Q355 PolarHBondContact NE2-O 3.2Å; K353-Q355 PolarHBondContact O-N 3.37Å; K353-Q355 PolarHBondContact O-NE2 2.94Å; Q355-L357 PolarHBondContact O-N 3Å
356	P	88.1	Confident	92	Very high	88 Å²	88	78.7 Å²	78.7	57%	0.571	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-57.2	138.6	-176.6	-26.2	35.4	0	0	0	112.7	F354	F354-P356 HydrophobicContact CE1-CB 4.36Å; F354-P356 WeakPolarHBondContact O-CD 3.19Å
357	L	85.4	Confident	92.1	Very high	31 Å²	31	72.6 Å²	72.6	16%	0.162	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-71.3	153.4	169.7	-55.3	178.1	0	0	0	109.8	L331 R338 F354 Q355 K359	L331-L357 HydrophobicContact CD2-CD1 4.3Å; R338-L357 HydrophobicContact CB-CD2 3.55Å; F354-L357 HydrophobicContact CZ-CG 4.2Å; Q355-L357 PolarHBondContact O-N 3Å; L357-K359 PolarHBondContact O-N 3.26Å
358	S	82.9	Confident	92.2	Very high	89 Å²	89	69 Å²	69	62%	0.622	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-55.5	126.4	176.2	-57.1	0	0	0	0	110.6	Y360	S358-Y360 WeakPolarHBondContact O-CD2 3.34Å; S358-Y360 VanDerWaalsContact O-CE2 3.27Å; S358-Y360 WeakPolarHBondContact O-CE2 3.35Å; S358-Y360 PolarHBondContact O-N 3.45Å
359	K	80.5	Confident	92.3	Very high	175 Å²	175	67.4 Å²	67.4	76%	0.761	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-71.4	128.6	174.7	-69.1	-172.5	179.5	-176.1	0	109.9	L357	L357-K359 PolarHBondContact O-N 3.26Å
360	Y	86.6	Confident	92.5	Very high	42 Å²	42	66.2 Å²	66.2	17%	0.165	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-90.5	149	175.9	-60.3	-75.6	0	0	0	110.8	R338 S358 R419 H420 M421 E422 T424	R338-Y360 PolarHBondContact NH1-OH 3Å; S358-Y360 WeakPolarHBondContact O-CD2 3.34Å; S358-Y360 VanDerWaalsContact O-CE2 3.27Å; S358-Y360 WeakPolarHBondContact O-CE2 3.35Å; S358-Y360 PolarHBondContact O-N 3.45Å; Y360-R419 WeakPolarHBondContact O-CD 3.26Å; Y360-R419 WeakPolarHBondContact O-CG 3.37Å; Y360-R419 PolarHBondContact O-NE 3.44Å; Y360-H420 WeakPolarHBondContact CD2-O 3.35Å; Y360-M421 WeakPolarHBondContact CE2-O 3.43Å; Y360-E422 PolarHBondContact OH-O 3.06Å; Y360-E422 VanDerWaalsContact OH-O 3.11Å; Y360-T424 VanDerWaalsContact CD1-N 3.35Å; Y360-T424 VanDerWaalsContact CD1-OG1 3.31Å; Y360-T424 WeakPolarHBondContact CD1-OG1 3.3Å
361	P	88.9	Confident	92.5	Very high	78 Å²	78	62.9 Å²	62.9	51%	0.506	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-63.4	135.9	-177.2	23.7	-32	0	0	0	111.2	T424	P361-T424 HydrophobicContact CG-CG2 4Å
362	P	93.8	Very high	92.5	Very high	55 Å²	55	56.3 Å²	56.3	36%	0.357	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-75.9	157.1	176.6	33.7	-35	0	0	0	111.4	T417 Y418	P362-T417 HydrophobicContact CB-CG2 3.9Å; P362-Y418 WeakPolarHBondContact CA-O 3.31Å
363	M	95.1	Very high	91.9	Very high	17 Å²	17	61.4 Å²	61.4	8%	0.084	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138	160.8	-75.2	-179.4	-81.8	0	0	109.4	Y418 L425 Q427 V430	M363-Y418 PolarHBondContact N-O 2.69Å; M363-Y418 PolarHBondContact O-N 2.67Å; M363-L425 HydrophobicContact CE-CB 3.16Å; M363-L425 HydrophobicContact CE-CG 4.45Å; M363-L425 WeakPolarHBondContact CE-O 3.2Å; M363-Q427 HydrophobicContact SD-CB 4.47Å; M363-Q427 HydrophobicContact SD-CG 3.97Å; M363-Q427 PolarHBondContact SD-NE2 3.42Å; M363-Q427 VanDerWaalsContact SD-NE2 3.4Å; M363-V430 HydrophobicContact CB-CG1 4.38Å; M363-V430 HydrophobicContact CE-CB 3.95Å; M363-V430 HydrophobicContact CE-CG2 3.29Å; M363-V430 HydrophobicContact SD-CB 4.17Å; M363-V430 HydrophobicContact SD-CG2 4.14Å
364	I	96.7	Very high	91.2	Very high	95 Å²	95	62.1 Å²	62.1	49%	0.487	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.3	-173.7	-56.7	176	0	0	0	108.1	R415 I416	I364-R415 HydrophobicContact CG2-CG 3.54Å; I364-I416 WeakPolarHBondContact CA-O 3.48Å
365	N	97.2	Very high	90.4	Very high	45 Å²	45	69.1 Å²	69.1	24%	0.241	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.5	172.1	-67.9	-20.3	0	0	0	109.5	I416 Y418 H434	N365-I416 PolarHBondContact N-O 2.83Å; N365-I416 VanDerWaalsContact N-O 3.1Å; N365-I416 PolarHBondContact O-N 3.38Å; N365-Y418 HydrophobicContact CB-CE2 4.25Å; N365-H434 VanDerWaalsContact CB-CE1 3.49Å; N365-H434 WeakPolarHBondContact CB-CE1 3.47Å
366	D	97.9	Very high	90.3	Very high	66 Å²	66	65.5 Å²	65.5	35%	0.353	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	146	174.3	-63.8	-13.2	0	0	0	109.5	Y414 R415 H434	D366-Y414 CarbonylContact C-O 3.52Å; D366-Y414 VanDerWaalsContact CA-O 3.29Å; D366-Y414 WeakPolarHBondContact CA-O 3.29Å; D366-R415 WeakPolarHBondContact OD1-CA 3.2Å; D366-R415 WeakPolarHBondContact OD1-CB 3.48Å; D366-R415 WeakPolarHBondContact OD1-CG 3.34Å; D366-R415 IonicContact OD1-CZ 2.73Å; D366-R415 IonicContact OD1-NE 3.12Å; D366-R415 PolarHBondContact OD1-NE 3.41Å; D366-R415 IonicContact OD1-NH2 3.65Å; D366-R415 IonicContact OD2-CZ 3.92Å; D366-R415 IonicContact OD2-NE 2.78Å; D366-R415 IonicContact OD2-NH2 3.62Å; D366-R415 PolarHBondContact OD2-NH2 3.34Å; D366-H434 PolarHBondContact O-NE2 3.42Å
367	I	97.7	Very high	90.4	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.8	174.8	-176.8	175.8	0	0	0	109.2	F369 F381 C413 Y414 I416 L437 Q438 V441 F451	I367-F369 HydrophobicContact CD1-CD1 4.36Å; I367-F369 HydrophobicContact CD1-CE1 4.38Å; I367-F369 HydrophobicContact CG1-CD1 4.11Å; I367-F369 HydrophobicContact CG1-CE1 4.34Å; I367-F381 HydrophobicContact CG2-CE2 4.46Å; I367-F381 HydrophobicContact CG2-CZ 3.78Å; I367-C413 WeakPolarHBondContact O-CA 3.4Å; I367-Y414 PolarHBondContact N-O 2.87Å; I367-Y414 PolarHBondContact O-N 3.2Å; I367-I416 HydrophobicContact CG2-CD1 3.88Å; I367-I416 HydrophobicContact CG2-CG1 4.33Å; I367-L437 HydrophobicContact CD1-CG 4.4Å; I367-Q438 HydrophobicContact CD1-CB 4.4Å; I367-Q438 HydrophobicContact CD1-CG 3.63Å; I367-Q438 HydrophobicContact CG1-CG 4.1Å; I367-V441 HydrophobicContact CD1-CG2 4.37Å; I367-F451 HydrophobicContact CG1-CD1 4.46Å
368	S	97.4	Very high	90.8	Very high	15 Å²	15	64.8 Å²	64.8	11%	0.105	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.4	178.7	-73.3	0	0	0	0	111.6	H412 C413 R450 F451	S368-H412 WeakPolarHBondContact CA-O 3.36Å; S368-C413 VanDerWaalsContact OG-CB 3.28Å; S368-C413 WeakPolarHBondContact OG-CB 3.48Å; S368-C413 PolarHBondContact OG-SG 3.01Å; S368-R450 CarbonylContact O-C 3.51Å; S368-R450 WeakPolarHBondContact O-CA 3.38Å; S368-R450 PolarHBondContact O-N 3.24Å; S368-F451 PolarHBondContact O-N 3.08Å
369	F	97.2	Very high	91.4	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	155.7	174.4	47.1	-98.1	0	0	0	111.8	I367 L371 Y376 F381 S411 H412 Y414 V441 V447 E448	I367-F369 HydrophobicContact CD1-CD1 4.36Å; I367-F369 HydrophobicContact CD1-CE1 4.38Å; I367-F369 HydrophobicContact CG1-CD1 4.11Å; I367-F369 HydrophobicContact CG1-CE1 4.34Å; F369-L371 HydrophobicContact CD2-CD2 4.05Å; F369-L371 HydrophobicContact CE2-CD2 3.8Å; F369-Y376 HydrophobicContact CE2-CE2 4.04Å; F369-F381 HydrophobicContact CE1-CD2 4.08Å; F369-F381 AromaticContact CE1-CE2 3.83Å; F369-F381 HydrophobicContact CE1-CE2 3.83Å; F369-F381 HydrophobicContact CE1-CZ 4.29Å; F369-F381 AromaticContact CZ-CD2 3.88Å; F369-F381 HydrophobicContact CZ-CD2 3.88Å; F369-F381 HydrophobicContact CZ-CE2 4.1Å; F369-F381 HydrophobicContact CZ-CG 4.22Å; F369-S411 WeakPolarHBondContact O-CA 3.15Å; F369-H412 PolarHBondContact N-O 3.28Å; F369-H412 VanDerWaalsContact N-O 3.12Å; F369-H412 PolarHBondContact O-N 2.74Å; F369-Y414 HydrophobicContact CE1-CD2 4.01Å; F369-Y414 HydrophobicContact CE1-CE2 4.19Å; F369-Y414 HydrophobicContact CE2-CE2 4.14Å; F369-Y414 AromaticContact CZ-CD2 3.81Å; F369-Y414 HydrophobicContact CZ-CD2 3.81Å; F369-Y414 AromaticContact CZ-CE2 3.52Å; F369-Y414 HydrophobicContact CZ-CE2 3.52Å; F369-V441 HydrophobicContact CD1-CG1 3.93Å; F369-V441 HydrophobicContact CE1-CG1 3.76Å; F369-V441 HydrophobicContact CE2-CG1 4.37Å; F369-V441 HydrophobicContact CG-CG1 4.31Å; F369-V441 HydrophobicContact CZ-CG1 3.98Å; F369-V447 HydrophobicContact CB-CB 3.95Å; F369-V447 HydrophobicContact CB-CG2 3.65Å; F369-V447 HydrophobicContact CD1-CG2 4.38Å; F369-V447 HydrophobicContact CD2-CB 3.71Å; F369-V447 HydrophobicContact CD2-CG1 3.56Å; F369-V447 HydrophobicContact CD2-CG2 3.96Å; F369-V447 HydrophobicContact CE2-CB 4.48Å; F369-V447 HydrophobicContact CE2-CG1 3.85Å; F369-V447 HydrophobicContact CG-CB 3.99Å; F369-V447 HydrophobicContact CG-CG1 4.24Å; F369-V447 HydrophobicContact CG-CG2 3.75Å; F369-E448 CarbonylContact C-O 3.49Å; F369-E448 VanDerWaalsContact CA-O 3.31Å; F369-E448 WeakPolarHBondContact CA-O 3.49Å; F369-E448 WeakPolarHBondContact CB-O 3.43Å
370	W	96.4	Very high	92	Very high	35 Å²	35	55.3 Å²	55.3	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	132.4	169.1	-54.3	99.8	0	0	0	110	F402 H404 K409 T410 V447 E448	W370-F402 AromaticContact CH2-CE2 3.78Å; W370-F402 HydrophobicContact CH2-CE2 3.78Å; W370-F402 AromaticContact CH2-CZ 3.69Å; W370-F402 HydrophobicContact CH2-CZ 3.69Å; W370-F402 HydrophobicContact CZ3-CE2 4.03Å; W370-F402 HydrophobicContact CZ3-CZ 4.09Å; W370-H404 HydrophobicContact CH2-CB 3.64Å; W370-H404 HydrophobicContact CZ3-CB 3.59Å; W370-K409 HydrophobicContact CB-CB 4.48Å; W370-K409 HydrophobicContact CB-CD 4.28Å; W370-K409 HydrophobicContact CD2-CB 4.17Å; W370-K409 HydrophobicContact CE3-CB 3.54Å; W370-K409 HydrophobicContact CG-CD 4.37Å; W370-K409 HydrophobicContact CZ3-CB 4.14Å; W370-K409 WeakPolarHBondContact CZ3-O 3.25Å; W370-T410 CarbonylContact C-O 3.59Å; W370-T410 WeakPolarHBondContact CA-O 3.33Å; W370-V447 WeakPolarHBondContact O-CA 3.33Å; W370-V447 WeakPolarHBondContact O-CB 3.39Å; W370-E448 HydrophobicContact CB-CB 4.15Å; W370-E448 PolarHBondContact N-O 3.1Å; W370-E448 PolarHBondContact O-N 2.83Å
371	L	95.2	Very high	92.5	Very high	29 Å²	29	53.3 Å²	53.3	15%	0.152	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-68.2	151.1	178.2	-59.3	-171.6	0	0	0	111.4	F369 Y376 T410 H412	F369-L371 HydrophobicContact CD2-CD2 4.05Å; F369-L371 HydrophobicContact CE2-CD2 3.8Å; L371-Y376 HydrophobicContact CD1-CD1 3.91Å; L371-Y376 HydrophobicContact CD1-CE1 4.4Å; L371-Y376 HydrophobicContact CD1-CG 4.38Å; L371-Y376 HydrophobicContact CD2-CD1 3.68Å; L371-Y376 HydrophobicContact CD2-CD2 3.96Å; L371-Y376 HydrophobicContact CD2-CE1 3.69Å; L371-Y376 HydrophobicContact CD2-CE2 3.96Å; L371-Y376 HydrophobicContact CD2-CG 3.81Å; L371-Y376 HydrophobicContact CG-CD1 4.4Å; L371-T410 HydrophobicContact CD1-CG2 3.8Å; L371-T410 HydrophobicContact CG-CG2 4.29Å; L371-T410 PolarHBondContact N-O 3.37Å; L371-H412 HydrophobicContact CD2-CB 4.37Å
372	P	92.5	Very high	92.8	Very high	39 Å²	39	50.2 Å²	50.2	25%	0.253	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-61.5	157.6	167.3	29	-36.1	0	0	0	110.7	E374	P372-E374 PolarHBondContact O-N 3.16Å
373	S	80.1	Confident	92.9	Very high	128 Å²	128	48 Å²	48	90%	0.895	26%	0.259	S	S	*	.	S	Bend	trans	-60.9	-28.4	-177.2	-55.6	0	0	0	0	113.6
374	E	77.3	Confident	92.9	Very high	150 Å²	150	47.6 Å²	47.6	70%	0.701	26%	0.257	S	S	*	.	S	Bend	trans	-145.4	160.1	175.8	-63	-177.8	178.5	0	0	109.8	P372	P372-E374 PolarHBondContact O-N 3.16Å
375	N	78.8	Confident	92.9	Very high	151 Å²	151	43.1 Å²	43.1	81%	0.807	23%	0.234	S	C	*	.			trans	72.1	41.2	166.4	-49.7	-50.6	0	0	0	117.9
376	Y	89.8	Confident	92.7	Very high	45 Å²	45	42 Å²	42	18%	0.176	23%	0.227	C	C	.	.			trans	-109.4	127.8	168.8	-178.5	-92.2	0	0	0	111.9	F369 L371 E378 F381 H412 Y414 L445	F369-Y376 HydrophobicContact CE2-CE2 4.04Å; L371-Y376 HydrophobicContact CD1-CD1 3.91Å; L371-Y376 HydrophobicContact CD1-CE1 4.4Å; L371-Y376 HydrophobicContact CD1-CG 4.38Å; L371-Y376 HydrophobicContact CD2-CD1 3.68Å; L371-Y376 HydrophobicContact CD2-CD2 3.96Å; L371-Y376 HydrophobicContact CD2-CE1 3.69Å; L371-Y376 HydrophobicContact CD2-CE2 3.96Å; L371-Y376 HydrophobicContact CD2-CG 3.81Å; L371-Y376 HydrophobicContact CG-CD1 4.4Å; Y376-E378 HydrophobicContact CE1-CG 4.29Å; Y376-F381 HydrophobicContact CE2-CB 4.35Å; Y376-F381 WeakPolarHBondContact OH-CB 3.44Å; Y376-H412 AromaticContact CE1-ND1 3.87Å; Y376-Y414 PolarHBondContact OH-OH 2.99Å; Y376-L445 HydrophobicContact CE2-CD1 4.21Å
377	A	91.8	Very high	92.6	Very high	32 Å²	32	41.5 Å²	41.5	26%	0.264	23%	0.226	S	C	.	.			trans	-115.6	143.6	162.4	0	0	0	0	0	110.4	N379 D380	A377-N379 PolarHBondContact O-N 2.69Å; A377-D380 WeakPolarHBondContact CB-OD2 3.49Å; A377-D380 PolarHBondContact N-OD2 3.38Å; A377-D380 VanDerWaalsContact N-OD2 3.07Å; A377-D380 VanDerWaalsContact O-CB 3.29Å; A377-D380 WeakPolarHBondContact O-CB 3.32Å; A377-D380 PolarHBondContact O-N 3.13Å
378	E	93.5	Very high	92.5	Very high	72 Å²	72	43.4 Å²	43.4	34%	0.336	24%	0.236	S	C	.	.	H	α-helix	trans	-57.9	-35.7	179	-60.7	-176.6	-167.3	0	0	112.2	Y376 D380 F381 Y382	Y376-E378 HydrophobicContact CE1-CG 4.29Å; E378-D380 PolarHBondContact O-N 3.33Å; E378-F381 WeakPolarHBondContact O-CA 3.39Å; E378-F381 WeakPolarHBondContact O-CB 3.33Å; E378-F381 PolarHBondContact O-N 3.21Å; E378-Y382 HydrophobicContact CB-CE2 3.93Å; E378-Y382 PolarHBondContact O-N 3.46Å; E378-Y382 PolarHBondContact OE2-OH 3Å; E378-Y382 VanDerWaalsContact OE2-OH 3.12Å
379	N	94.5	Very high	92.3	Very high	23 Å²	23	43 Å²	43	12%	0.123	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-22.5	176.9	-70.8	-19.1	0	0	0	113.3	G141 R180 A377 F381 Y382 D383	G141-N379 WeakPolarHBondContact O-CB 3.24Å; G141-N379 PolarHBondContact O-ND2 2.67Å; R180-N379 HydrophobicContact CB-CB 4.24Å; R180-N379 PolarHBondContact NH2-O 3.04Å; R180-N379 PolarHBondContact O-ND2 3.22Å; A377-N379 PolarHBondContact O-N 2.69Å; N379-F381 VanDerWaalsContact C-N 3.34Å; N379-Y382 PolarHBondContact O-N 3.17Å; N379-Y382 VanDerWaalsContact OD1-CD2 3.22Å; N379-Y382 WeakPolarHBondContact OD1-CD2 3.24Å; N379-D383 WeakPolarHBondContact O-CB 3.3Å; N379-D383 PolarHBondContact O-N 3.1Å
380	D	93.9	Very high	92.2	Very high	43 Å²	43	43.8 Å²	43.8	23%	0.23	24%	0.242	C	C	.	.	H	α-helix	trans	-67.6	-38.4	172.1	-56.7	-34.8	0	0	0	110.8	R180 A377 E378 L384 L445	R180-D380 IonicContact CZ-OD1 3.67Å; R180-D380 IonicContact NH1-OD1 2.69Å; R180-D380 PolarHBondContact NH1-OD1 2.91Å; R180-D380 IonicContact NH2-OD1 3.31Å; R180-D380 PolarHBondContact NH2-OD1 3Å; A377-D380 WeakPolarHBondContact CB-OD2 3.49Å; A377-D380 PolarHBondContact N-OD2 3.38Å; A377-D380 VanDerWaalsContact N-OD2 3.07Å; A377-D380 VanDerWaalsContact O-CB 3.29Å; A377-D380 WeakPolarHBondContact O-CB 3.32Å; A377-D380 PolarHBondContact O-N 3.13Å; E378-D380 PolarHBondContact O-N 3.33Å; D380-L384 PolarHBondContact O-N 3.19Å; D380-L384 VanDerWaalsContact O-N 3.16Å; D380-L445 HydrophobicContact CB-CD2 3.86Å
381	F	96.5	Very high	92	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-69.1	-44.2	173.3	176.1	-111.4	0	0	0	111.6	I367 F369 Y376 E378 N379 D383 L384 V385 V396 Y414 I416 L437 V441 L445	I367-F381 HydrophobicContact CG2-CE2 4.46Å; I367-F381 HydrophobicContact CG2-CZ 3.78Å; F369-F381 HydrophobicContact CE1-CD2 4.08Å; F369-F381 AromaticContact CE1-CE2 3.83Å; F369-F381 HydrophobicContact CE1-CE2 3.83Å; F369-F381 HydrophobicContact CE1-CZ 4.29Å; F369-F381 AromaticContact CZ-CD2 3.88Å; F369-F381 HydrophobicContact CZ-CD2 3.88Å; F369-F381 HydrophobicContact CZ-CE2 4.1Å; F369-F381 HydrophobicContact CZ-CG 4.22Å; Y376-F381 HydrophobicContact CE2-CB 4.35Å; Y376-F381 WeakPolarHBondContact OH-CB 3.44Å; E378-F381 WeakPolarHBondContact O-CA 3.39Å; E378-F381 WeakPolarHBondContact O-CB 3.33Å; E378-F381 PolarHBondContact O-N 3.21Å; N379-F381 VanDerWaalsContact C-N 3.34Å; F381-D383 VanDerWaalsContact C-N 3.35Å; F381-D383 PolarHBondContact O-N 3.45Å; F381-L384 WeakPolarHBondContact O-CB 3.22Å; F381-L384 PolarHBondContact O-N 2.84Å; F381-L384 VanDerWaalsContact O-N 3.13Å; F381-V385 HydrophobicContact CD1-CG2 4.24Å; F381-V385 HydrophobicContact CD2-CG2 4.29Å; F381-V385 HydrophobicContact CE1-CG2 3.84Å; F381-V385 HydrophobicContact CE2-CG2 3.89Å; F381-V385 HydrophobicContact CG-CG2 4.45Å; F381-V385 HydrophobicContact CZ-CG2 3.65Å; F381-V385 WeakPolarHBondContact O-CG2 3.36Å; F381-V385 PolarHBondContact O-N 3.07Å; F381-V396 HydrophobicContact CE1-CG1 3.87Å; F381-Y414 AromaticContact CD1-CD1 3.92Å; F381-Y414 HydrophobicContact CD1-CD1 3.92Å; F381-Y414 AromaticContact CD1-CD2 3.95Å; F381-Y414 HydrophobicContact CD1-CD2 3.95Å; F381-Y414 AromaticContact CD1-CE1 3.9Å; F381-Y414 HydrophobicContact CD1-CE1 3.9Å; F381-Y414 AromaticContact CD1-CE2 3.94Å; F381-Y414 HydrophobicContact CD1-CE2 3.94Å; F381-Y414 AromaticContact CD1-CG 3.93Å; F381-Y414 HydrophobicContact CD1-CG 3.93Å; F381-Y414 AromaticContact CD1-CZ 3.91Å; F381-Y414 AromaticContact CE1-CD1 3.72Å; F381-Y414 HydrophobicContact CE1-CD1 3.72Å; F381-Y414 AromaticContact CE1-CD2 3.64Å; F381-Y414 HydrophobicContact CE1-CD2 3.64Å; F381-Y414 HydrophobicContact CE1-CE1 4.19Å; F381-Y414 HydrophobicContact CE1-CE2 4.13Å; F381-Y414 AromaticContact CE1-CG 3.41Å; F381-Y414 HydrophobicContact CE1-CG 3.41Å; F381-Y414 VanDerWaalsContact CE1-CG 3.41Å; F381-Y414 HydrophobicContact CG-CE2 4.44Å; F381-Y414 HydrophobicContact CZ-CD2 4.13Å; F381-Y414 HydrophobicContact CZ-CG 4.15Å; F381-I416 HydrophobicContact CZ-CD1 4.22Å; F381-L437 HydrophobicContact CE2-CD1 4.43Å; F381-V441 HydrophobicContact CD2-CG1 4.33Å; F381-V441 HydrophobicContact CD2-CG2 3.89Å; F381-V441 HydrophobicContact CE2-CG2 3.68Å; F381-L445 HydrophobicContact CB-CD1 4.1Å; F381-L445 HydrophobicContact CD2-CD1 4.41Å
382	Y	96.5	Very high	91.9	Very high	13 Å²	13	44.5 Å²	44.5	5%	0.051	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-42.1	176.5	-57	-28.7	0	0	0	112.1	Q182 I183 E378 N379 L384 V385 R386 V396 Y414	Q182-Y382 HydrophobicContact CB-CE2 4.23Å; I183-Y382 HydrophobicContact CG1-CG 4.4Å; E378-Y382 HydrophobicContact CB-CE2 3.93Å; E378-Y382 PolarHBondContact O-N 3.46Å; E378-Y382 PolarHBondContact OE2-OH 3Å; E378-Y382 VanDerWaalsContact OE2-OH 3.12Å; N379-Y382 PolarHBondContact O-N 3.17Å; N379-Y382 VanDerWaalsContact OD1-CD2 3.22Å; N379-Y382 WeakPolarHBondContact OD1-CD2 3.24Å; Y382-L384 VanDerWaalsContact C-N 3.29Å; Y382-L384 PolarHBondContact O-N 2.96Å; Y382-V385 PolarHBondContact O-N 3.02Å; Y382-R386 WeakPolarHBondContact O-CG 3.23Å; Y382-R386 PolarHBondContact O-N 3.43Å; Y382-V396 HydrophobicContact CD1-CB 4.32Å; Y382-V396 HydrophobicContact CD1-CG1 4.04Å; Y382-V396 HydrophobicContact CE1-CB 4.26Å; Y382-V396 HydrophobicContact CE1-CG1 3.76Å; Y382-Y414 HydrophobicContact CE1-CD1 4.22Å; Y382-Y414 AromaticContact CE1-CE1 3.9Å; Y382-Y414 HydrophobicContact CE1-CE1 3.9Å
383	D	94.2	Very high	92.1	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-38.3	174.1	-83.9	-34.7	0	0	0	112.7	T67 Y144 R180 N379 F381 R386 T387	T67-D383 HydrophobicContact CG2-CB 4.06Å; Y144-D383 PolarHBondContact OH-OD1 2.91Å; R180-D383 IonicContact CZ-OD2 2.92Å; R180-D383 IonicContact NE-OD2 3.56Å; R180-D383 PolarHBondContact NE-OD2 3.23Å; R180-D383 IonicContact NH2-OD2 2.83Å; R180-D383 PolarHBondContact NH2-OD2 2.72Å; N379-D383 WeakPolarHBondContact O-CB 3.3Å; N379-D383 PolarHBondContact O-N 3.1Å; F381-D383 VanDerWaalsContact C-N 3.35Å; F381-D383 PolarHBondContact O-N 3.45Å; D383-R386 PolarHBondContact O-N 2.73Å; D383-T387 WeakPolarHBondContact O-CB 3.33Å; D383-T387 PolarHBondContact O-N 3Å; D383-T387 PolarHBondContact O-OG1 2.95Å
384	L	95.6	Very high	92.8	Very high	9 Å²	9	38.2 Å²	38.2	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-68.7	-41.5	176	-173	58.9	0	0	0	111.8	D380 F381 Y382 R386 T387 I388 L437 A440 V441 L445	D380-L384 PolarHBondContact O-N 3.19Å; D380-L384 VanDerWaalsContact O-N 3.16Å; F381-L384 WeakPolarHBondContact O-CB 3.22Å; F381-L384 PolarHBondContact O-N 2.84Å; F381-L384 VanDerWaalsContact O-N 3.13Å; Y382-L384 VanDerWaalsContact C-N 3.29Å; Y382-L384 PolarHBondContact O-N 2.96Å; L384-R386 VanDerWaalsContact C-N 3.34Å; L384-R386 PolarHBondContact O-N 3.32Å; L384-T387 WeakPolarHBondContact O-CB 3.24Å; L384-T387 PolarHBondContact O-N 2.79Å; L384-T387 VanDerWaalsContact O-N 3.14Å; L384-I388 HydrophobicContact CD1-CD1 3.81Å; L384-I388 HydrophobicContact CD1-CG1 4.3Å; L384-I388 HydrophobicContact CG-CD1 4.07Å; L384-I388 PolarHBondContact O-N 2.9Å; L384-L437 HydrophobicContact CG-CD1 4.19Å; L384-A440 HydrophobicContact CD1-CB 4.19Å; L384-A440 HydrophobicContact CD2-CB 4.22Å; L384-V441 HydrophobicContact CD2-CB 4.17Å; L384-V441 HydrophobicContact CD2-CG2 3.63Å; L384-L445 HydrophobicContact CD2-CD1 4.03Å; L384-L445 HydrophobicContact CD2-CG 4.1Å
385	V	96.8	Very high	93.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-59.6	-44.7	173.2	174.8	0	0	0	0	110.6	I183 F381 Y382 T387 I388 G389 G390 V393 V396 I416 L437	I183-V385 HydrophobicContact CD1-CB 3.86Å; I183-V385 HydrophobicContact CD1-CG1 3.73Å; F381-V385 HydrophobicContact CD1-CG2 4.24Å; F381-V385 HydrophobicContact CD2-CG2 4.29Å; F381-V385 HydrophobicContact CE1-CG2 3.84Å; F381-V385 HydrophobicContact CE2-CG2 3.89Å; F381-V385 HydrophobicContact CG-CG2 4.45Å; F381-V385 HydrophobicContact CZ-CG2 3.65Å; F381-V385 WeakPolarHBondContact O-CG2 3.36Å; F381-V385 PolarHBondContact O-N 3.07Å; Y382-V385 PolarHBondContact O-N 3.02Å; V385-T387 VanDerWaalsContact C-N 3.29Å; V385-T387 PolarHBondContact O-N 2.68Å; V385-I388 PolarHBondContact O-N 3.47Å; V385-G389 WeakPolarHBondContact O-CA 3.36Å; V385-G389 PolarHBondContact O-N 3Å; V385-G390 PolarHBondContact O-N 2.95Å; V385-V393 HydrophobicContact CG1-CB 4.18Å; V385-V393 HydrophobicContact CG1-CG1 3.89Å; V385-V393 HydrophobicContact CG1-CG2 3.81Å; V385-V396 HydrophobicContact CG1-CG2 3.9Å; V385-I416 HydrophobicContact CG2-CD1 4.42Å; V385-L437 HydrophobicContact CG2-CD1 3.96Å; V385-L437 HydrophobicContact CG2-CD2 3.94Å
386	R	93.9	Very high	94.5	Very high	23 Å²	23	27.9 Å²	27.9	9%	0.087	15%	0.148	C	C	.	.	H	α-helix	trans	-64.4	-33	175.2	-69.5	178.7	179.7	156.5	-1.8	112.7	D181 Q182 I183 P189 Y382 D383 L384 G390	D181-R386 PolarHBondContact O-NH1 2.67Å; D181-R386 PolarHBondContact O-NH2 3.13Å; Q182-R386 PolarHBondContact O-NH2 2.83Å; I183-R386 HydrophobicContact CD1-CG 3.73Å; I183-R386 HydrophobicContact CG1-CG 4.24Å; P189-R386 VanDerWaalsContact CB-NH1 3.33Å; P189-R386 VanDerWaalsContact CD-CZ 3.43Å; Y382-R386 WeakPolarHBondContact O-CG 3.23Å; Y382-R386 PolarHBondContact O-N 3.43Å; D383-R386 PolarHBondContact O-N 2.73Å; L384-R386 VanDerWaalsContact C-N 3.34Å; L384-R386 PolarHBondContact O-N 3.32Å; R386-G390 WeakPolarHBondContact O-CA 3.47Å; R386-G390 PolarHBondContact O-N 3.49Å; R386-G390 VanDerWaalsContact O-N 3.15Å
387	T	95.1	Very high	94.8	Very high	55 Å²	55	28.2 Å²	28.2	34%	0.337	15%	0.153	S	C	.	.	H	α-helix	trans	-69.1	-41.3	178	-62.5	0	0	0	0	111.8	D383 L384 V385	D383-T387 WeakPolarHBondContact O-CB 3.33Å; D383-T387 PolarHBondContact O-N 3Å; D383-T387 PolarHBondContact O-OG1 2.95Å; L384-T387 WeakPolarHBondContact O-CB 3.24Å; L384-T387 PolarHBondContact O-N 2.79Å; L384-T387 VanDerWaalsContact O-N 3.14Å; V385-T387 VanDerWaalsContact C-N 3.29Å; V385-T387 PolarHBondContact O-N 2.68Å
388	I	96.1	Very high	95	Very high	41 Å²	41	29.3 Å²	29.3	21%	0.21	15%	0.154	C	C	.	.	H	α-helix	trans	-93.8	-49.5	-173.5	-63.5	175.2	0	0	0	111.9	L384 V385 I433 A436 L437 A440	L384-I388 HydrophobicContact CD1-CD1 3.81Å; L384-I388 HydrophobicContact CD1-CG1 4.3Å; L384-I388 HydrophobicContact CG-CD1 4.07Å; L384-I388 PolarHBondContact O-N 2.9Å; V385-I388 PolarHBondContact O-N 3.47Å; I388-I433 HydrophobicContact CG2-CG2 4.32Å; I388-A436 HydrophobicContact CG2-CB 4.23Å; I388-L437 HydrophobicContact CD1-CB 4.49Å; I388-L437 HydrophobicContact CD1-CD1 4.03Å; I388-L437 HydrophobicContact CG2-CB 4.37Å; I388-A440 HydrophobicContact CD1-CB 3.24Å
389	G	93.8	Very high	95.2	Very high	6 Å²	6	29.3 Å²	29.3	6%	0.062	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-30.6	-179.1	0	0	0	0	0	113.5	V385 D391 L392	V385-G389 WeakPolarHBondContact O-CA 3.36Å; V385-G389 PolarHBondContact O-N 3Å; G389-D391 PolarHBondContact O-N 3.29Å; G389-L392 WeakPolarHBondContact O-CB 3.26Å; G389-L392 WeakPolarHBondContact O-CG 3.4Å; G389-L392 PolarHBondContact O-N 3.35Å; G389-L392 VanDerWaalsContact O-N 3.17Å
390	G	93.9	Very high	95.3	Very high	17 Å²	17	31.8 Å²	31.8	18%	0.175	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	53	-137.1	-177.4	0	0	0	0	0	112.2	V385 R386 L392 V393	V385-G390 PolarHBondContact O-N 2.95Å; R386-G390 WeakPolarHBondContact O-CA 3.47Å; R386-G390 PolarHBondContact O-N 3.49Å; R386-G390 VanDerWaalsContact O-N 3.15Å; G390-L392 PolarHBondContact O-N 2.95Å; G390-V393 PolarHBondContact O-N 3.26Å
391	D	92.1	Very high	95.4	Very high	48 Å²	48	35.9 Å²	35.9	26%	0.257	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-76.2	0.7	-176.6	-52	-54.4	0	0	0	113.2	R73 Y188 R330 G389 V393	R73-D391 IonicContact NH2-OD2 3.08Å; Y188-D391 WeakPolarHBondContact CE2-OD1 3.31Å; Y188-D391 PolarHBondContact OH-OD1 3.12Å; R330-D391 PolarHBondContact NH1-O 2.92Å; G389-D391 PolarHBondContact O-N 3.29Å; D391-V393 VanDerWaalsContact C-N 3.28Å
392	L	94.5	Very high	95.3	Very high	31 Å²	31	39 Å²	39	16%	0.162	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-71.6	-24.6	170.5	-60.8	164.6	0	0	0	112.3	G389 G390 Y418 R419 H420 L425 I433	G389-L392 WeakPolarHBondContact O-CB 3.26Å; G389-L392 WeakPolarHBondContact O-CG 3.4Å; G389-L392 PolarHBondContact O-N 3.35Å; G389-L392 VanDerWaalsContact O-N 3.17Å; G390-L392 PolarHBondContact O-N 2.95Å; L392-Y418 CarbonylContact O-C 3.55Å; L392-Y418 WeakPolarHBondContact O-CA 3.28Å; L392-R419 CarbonylContact O-C 3.44Å; L392-R419 PolarHBondContact O-N 3.47Å; L392-H420 HydrophobicContact CD2-CB 4.33Å; L392-L425 HydrophobicContact CD2-CD1 4.22Å; L392-L425 HydrophobicContact CD2-CD2 3.52Å; L392-I433 HydrophobicContact CD1-CD1 4.5Å; L392-I433 HydrophobicContact CD1-CG1 4.27Å
393	V	95.9	Very high	95.2	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121	-179.3	-179.2	0	0	0	0	108.5	I183 R330 V385 G390 D391 V396 I416 Y418	I183-V393 HydrophobicContact CG2-CG1 4.06Å; R330-V393 PolarHBondContact NH1-O 2.8Å; V385-V393 HydrophobicContact CG1-CB 4.18Å; V385-V393 HydrophobicContact CG1-CG1 3.89Å; V385-V393 HydrophobicContact CG1-CG2 3.81Å; G390-V393 PolarHBondContact O-N 3.26Å; D391-V393 VanDerWaalsContact C-N 3.28Å; V393-V396 HydrophobicContact CG1-CG2 3.77Å; V393-I416 HydrophobicContact CG1-CG2 3.71Å; V393-I416 HydrophobicContact CG2-CG2 4.14Å; V393-Y418 HydrophobicContact CG2-CD1 3.99Å; V393-Y418 HydrophobicContact CG2-CE1 3.78Å
394	E	94.1	Very high	95.2	Very high	32 Å²	32	46.2 Å²	46.2	15%	0.15	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-40.9	176.4	172.3	174	95.2	0	0	111.6	D184 R330 T417 R419	D184-E394 CarbonylContact C-O 3.59Å; D184-E394 WeakPolarHBondContact CA-O 3.47Å; R330-E394 IonicContact NH2-OE2 3.81Å; E394-T417 HydrophobicContact CB-CG2 4.38Å; E394-T417 PolarHBondContact N-O 2.86Å; E394-R419 HydrophobicContact CB-CB 4.15Å; E394-R419 IonicContact OE1-CZ 3.5Å; E394-R419 IonicContact OE1-NH1 2.72Å; E394-R419 PolarHBondContact OE1-NH1 3.36Å; E394-R419 IonicContact OE1-NH2 3.35Å; E394-R419 VanDerWaalsContact OE2-CD 3.26Å; E394-R419 WeakPolarHBondContact OE2-CD 3.11Å; E394-R419 IonicContact OE2-CZ 2.92Å; E394-R419 IonicContact OE2-NE 2.71Å; E394-R419 IonicContact OE2-NH1 3.87Å; E394-R419 PolarHBondContact OE2-NH1 3.36Å
395	K	95.3	Very high	95.1	Very high	78 Å²	78	50.6 Å²	50.6	34%	0.339	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	146	-173.4	-162.1	-179.1	-175.1	-144	0	112.1	I183 D184 D397 T417	I183-K395 CarbonylContact O-C 3.58Å; I183-K395 VanDerWaalsContact O-CA 3.27Å; I183-K395 WeakPolarHBondContact O-CA 3.39Å; I183-K395 WeakPolarHBondContact O-CG 3.29Å; D184-K395 HydrophobicContact CB-CG 4.21Å; K395-D397 WeakPolarHBondContact CD-OD2 3.38Å; K395-D397 WeakPolarHBondContact CE-OD1 3.27Å; K395-D397 VanDerWaalsContact CE-OD2 3.27Å; K395-D397 WeakPolarHBondContact CE-OD2 3.16Å; K395-D397 IonicContact NZ-OD1 3.52Å; K395-D397 PolarHBondContact NZ-OD1 2.64Å; K395-D397 IonicContact NZ-OD2 3.9Å; K395-D397 PolarHBondContact NZ-OD2 2.64Å; K395-T417 PolarHBondContact N-O 3.02Å; K395-T417 PolarHBondContact O-N 2.86Å
396	V	97.3	Very high	95	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.03	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.5	167.5	-177.1	0	0	0	0	109.4	I183 F381 Y382 V385 V393 Y414 R415 I416	I183-V396 HydrophobicContact CB-CB 4.23Å; I183-V396 HydrophobicContact CB-CG2 4.05Å; I183-V396 HydrophobicContact CD1-CG2 3.85Å; I183-V396 HydrophobicContact CG1-CG2 4.43Å; I183-V396 HydrophobicContact CG2-CG2 4.39Å; I183-V396 PolarHBondContact O-N 2.88Å; F381-V396 HydrophobicContact CE1-CG1 3.87Å; Y382-V396 HydrophobicContact CD1-CB 4.32Å; Y382-V396 HydrophobicContact CD1-CG1 4.04Å; Y382-V396 HydrophobicContact CE1-CB 4.26Å; Y382-V396 HydrophobicContact CE1-CG1 3.76Å; V385-V396 HydrophobicContact CG1-CG2 3.9Å; V393-V396 HydrophobicContact CG1-CG2 3.77Å; V396-Y414 HydrophobicContact CG1-CD1 3.96Å; V396-Y414 HydrophobicContact CG1-CG 4.46Å; V396-R415 WeakPolarHBondContact CA-O 3.4Å; V396-I416 HydrophobicContact CG1-CG1 4.39Å; V396-I416 HydrophobicContact CG2-CG1 4.26Å; V396-I416 HydrophobicContact CG2-CG2 4.22Å
397	D	96.6	Very high	94.9	Very high	52 Å²	52	61.6 Å²	61.6	28%	0.278	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.5	177.1	-68.9	-58	0	0	0	110.3	K395 I399 Y414 R415	K395-D397 WeakPolarHBondContact CD-OD2 3.38Å; K395-D397 WeakPolarHBondContact CE-OD1 3.27Å; K395-D397 VanDerWaalsContact CE-OD2 3.27Å; K395-D397 WeakPolarHBondContact CE-OD2 3.16Å; K395-D397 IonicContact NZ-OD1 3.52Å; K395-D397 PolarHBondContact NZ-OD1 2.64Å; K395-D397 IonicContact NZ-OD2 3.9Å; K395-D397 PolarHBondContact NZ-OD2 2.64Å; D397-I399 HydrophobicContact CB-CG2 3.95Å; D397-I399 PolarHBondContact O-N 2.88Å; D397-Y414 CarbonylContact O-C 3.58Å; D397-Y414 VanDerWaalsContact O-CA 3.24Å; D397-Y414 WeakPolarHBondContact O-CA 3.36Å; D397-R415 PolarHBondContact N-O 2.98Å; D397-R415 PolarHBondContact O-N 3.31Å
398	L	96.2	Very high	94.7	Very high	55 Å²	55	65.3 Å²	65.3	29%	0.288	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	107.2	163.9	177.7	62.8	0	0	0	108.3	D400 H412 Y414	L398-D400 WeakPolarHBondContact CD1-O 3.42Å; L398-H412 HydrophobicContact CD1-CB 3.82Å; L398-Y414 HydrophobicContact CB-CD1 3.97Å; L398-Y414 HydrophobicContact CB-CE1 3.76Å; L398-Y414 HydrophobicContact CD1-CD1 4.09Å; L398-Y414 HydrophobicContact CD1-CD2 4.45Å; L398-Y414 HydrophobicContact CD1-CE1 3.77Å; L398-Y414 HydrophobicContact CD1-CE2 4.14Å; L398-Y414 HydrophobicContact CD1-CG 4.42Å; L398-Y414 HydrophobicContact CG-CE1 4.26Å
399	I	96.8	Very high	94.6	Very high	72 Å²	72	67 Å²	67	37%	0.369	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-19.8	-172	57.6	161.5	0	0	0	113.9	D397 C413 R415	D397-I399 HydrophobicContact CB-CG2 3.95Å; D397-I399 PolarHBondContact O-N 2.88Å; I399-C413 HydrophobicContact CG1-CB 4.12Å; I399-C413 VanDerWaalsContact CG1-O 3.24Å; I399-C413 WeakPolarHBondContact CG1-O 3.4Å; I399-C413 PolarHBondContact N-O 3.26Å; I399-R415 HydrophobicContact CD1-CB 4.09Å; I399-R415 HydrophobicContact CG1-CB 4.31Å; I399-R415 HydrophobicContact CG2-CB 3.68Å
400	D	95.9	Very high	94.6	Very high	76 Å²	76	68.6 Å²	68.6	41%	0.406	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	143.7	176.5	-178.3	48	0	0	0	111.5	L398 F402 C413	L398-D400 WeakPolarHBondContact CD1-O 3.42Å; D400-F402 WeakPolarHBondContact OD2-CD1 3.41Å; D400-C413 HydrophobicContact CB-CB 3.88Å; D400-C413 PolarHBondContact N-O 3.39Å; D400-C413 PolarHBondContact O-N 3.44Å
401	K	95.9	Very high	94.7	Very high	128 Å²	128	67.8 Å²	67.8	56%	0.557	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147	124.3	176.1	175.6	177.4	-177.1	175.6	0	109.4	T410 S411 H412	K401-T410 HydrophobicContact CG-CG2 4.25Å; K401-S411 WeakPolarHBondContact CA-O 3.01Å; K401-H412 WeakPolarHBondContact CD-NE2 3.33Å; K401-H412 WeakPolarHBondContact CE-NE2 3.12Å
402	F	95	Very high	94.9	Very high	67 Å²	67	65.7 Å²	65.7	29%	0.294	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	160.6	173	74.9	-85.1	0	0	0	112.2	W370 D400 H404 T410 S411	W370-F402 AromaticContact CH2-CE2 3.78Å; W370-F402 HydrophobicContact CH2-CE2 3.78Å; W370-F402 AromaticContact CH2-CZ 3.69Å; W370-F402 HydrophobicContact CH2-CZ 3.69Å; W370-F402 HydrophobicContact CZ3-CE2 4.03Å; W370-F402 HydrophobicContact CZ3-CZ 4.09Å; D400-F402 WeakPolarHBondContact OD2-CD1 3.41Å; F402-H404 HydrophobicContact CE2-CB 4.39Å; F402-T410 CarbonylContact O-C 3.5Å; F402-T410 WeakPolarHBondContact O-CA 3.49Å; F402-S411 PolarHBondContact N-O 3.15Å; F402-S411 PolarHBondContact O-N 2.77Å
403	E	94.8	Very high	95.1	Very high	112 Å²	112	64.8 Å²	64.8	52%	0.523	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.7	173.2	-167.9	-172.6	148.1	0	0	110.2	H408 K409	E403-H408 WeakPolarHBondContact OE1-CA 3.37Å; E403-H408 IonicContact OE1-CG 2.69Å; E403-H408 IonicContact OE1-ND1 3.05Å; E403-H408 PolarHBondContact OE1-ND1 3.1Å; E403-K409 WeakPolarHBondContact CA-O 3.4Å
404	H	94.1	Very high	95.2	Very high	59 Å²	59	64.6 Å²	64.6	27%	0.273	32%	0.319	S	S	.	.			trans	-81.8	122.8	178.9	-176.5	-92.1	0	0	0	111.2	W370 F402 K406 T407 H408 K409	W370-H404 HydrophobicContact CH2-CB 3.64Å; W370-H404 HydrophobicContact CZ3-CB 3.59Å; F402-H404 HydrophobicContact CE2-CB 4.39Å; H404-K406 VanDerWaalsContact C-N 3.25Å; H404-K406 PolarHBondContact O-N 3.36Å; H404-T407 WeakPolarHBondContact CB-OG1 3.34Å; H404-T407 PolarHBondContact ND1-N 2.81Å; H404-T407 PolarHBondContact ND1-OG1 2.92Å; H404-T407 PolarHBondContact O-N 3.42Å; H404-H408 WeakPolarHBondContact O-CA 3.4Å; H404-H408 PolarHBondContact O-N 2.78Å; H404-K409 PolarHBondContact N-O 3.21Å
405	P	93	Very high	95.4	Very high	100 Å²	100	67.5 Å²	67.5	65%	0.649	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.3	-164.7	25.3	-35.9	0	0	0	114.9
406	K	94.3	Very high	95.5	Very high	184 Å²	184	63.8 Å²	63.8	80%	0.8	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-28.6	-179	-60.6	-179.2	178.7	178.1	0	113.8	H404	H404-K406 VanDerWaalsContact C-N 3.25Å; H404-K406 PolarHBondContact O-N 3.36Å
407	T	91.9	Very high	95.5	Very high	72 Å²	72	64.4 Å²	64.4	44%	0.442	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-11.7	-173.1	56.3	0	0	0	0	111.7	H404 K409	H404-T407 WeakPolarHBondContact CB-OG1 3.34Å; H404-T407 PolarHBondContact ND1-N 2.81Å; H404-T407 PolarHBondContact ND1-OG1 2.92Å; H404-T407 PolarHBondContact O-N 3.42Å; T407-K409 PolarHBondContact O-N 3.39Å
408	H	91.8	Very high	95.6	Very high	132 Å²	132	62 Å²	62	61%	0.611	30%	0.303	S	S	*	.			trans	53.6	20.5	-173	-59.6	-68.1	0	0	0	113.3	E403 H404	E403-H408 WeakPolarHBondContact OE1-CA 3.37Å; E403-H408 IonicContact OE1-CG 2.69Å; E403-H408 IonicContact OE1-ND1 3.05Å; E403-H408 PolarHBondContact OE1-ND1 3.1Å; H404-H408 WeakPolarHBondContact O-CA 3.4Å; H404-H408 PolarHBondContact O-N 2.78Å
409	K	92.8	Very high	95.4	Very high	77 Å²	77	61.9 Å²	61.9	34%	0.335	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-81.5	134.4	175.6	-70.4	-175.1	174.5	-179.9	0	109	W370 E403 H404 T407 E448	W370-K409 HydrophobicContact CB-CB 4.48Å; W370-K409 HydrophobicContact CB-CD 4.28Å; W370-K409 HydrophobicContact CD2-CB 4.17Å; W370-K409 HydrophobicContact CE3-CB 3.54Å; W370-K409 HydrophobicContact CG-CD 4.37Å; W370-K409 HydrophobicContact CZ3-CB 4.14Å; W370-K409 WeakPolarHBondContact CZ3-O 3.25Å; E403-K409 WeakPolarHBondContact CA-O 3.4Å; H404-K409 PolarHBondContact N-O 3.21Å; T407-K409 PolarHBondContact O-N 3.39Å; K409-E448 IonicContact NZ-OE2 3.63Å; K409-E448 PolarHBondContact NZ-OE2 3.3Å
410	T	94.8	Very high	95.2	Very high	39 Å²	39	60 Å²	60	24%	0.239	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.1	170.6	-62.3	0	0	0	0	109.2	W370 L371 K401 F402	W370-T410 CarbonylContact C-O 3.59Å; W370-T410 WeakPolarHBondContact CA-O 3.33Å; L371-T410 HydrophobicContact CD1-CG2 3.8Å; L371-T410 HydrophobicContact CG-CG2 4.29Å; L371-T410 PolarHBondContact N-O 3.37Å; K401-T410 HydrophobicContact CG-CG2 4.25Å; F402-T410 CarbonylContact O-C 3.5Å; F402-T410 WeakPolarHBondContact O-CA 3.49Å
411	S	95.8	Very high	94.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	136.5	170.8	177.7	0	0	0	0	109.3	F369 K401 F402 R450	F369-S411 WeakPolarHBondContact O-CA 3.15Å; K401-S411 WeakPolarHBondContact CA-O 3.01Å; F402-S411 PolarHBondContact N-O 3.15Å; F402-S411 PolarHBondContact O-N 2.77Å; S411-R450 PolarHBondContact OG-NH1 3.35Å
412	H	97.2	Very high	94.4	Very high	4 Å²	4	55 Å²	55	2%	0.019	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.5	165.8	-77.1	-162.7	0	0	0	109.7	S368 F369 L371 Y376 L398 K401 Y414	S368-H412 WeakPolarHBondContact CA-O 3.36Å; F369-H412 PolarHBondContact N-O 3.28Å; F369-H412 VanDerWaalsContact N-O 3.12Å; F369-H412 PolarHBondContact O-N 2.74Å; L371-H412 HydrophobicContact CD2-CB 4.37Å; Y376-H412 AromaticContact CE1-ND1 3.87Å; L398-H412 HydrophobicContact CD1-CB 3.82Å; K401-H412 WeakPolarHBondContact CD-NE2 3.33Å; K401-H412 WeakPolarHBondContact CE-NE2 3.12Å; H412-Y414 HydrophobicContact CB-CD2 4.19Å; H412-Y414 HydrophobicContact CB-CE2 3.52Å; H412-Y414 AromaticContact ND1-CE2 3.89Å; H412-Y414 AromaticContact ND1-CZ 3.66Å; H412-Y414 PolarHBondContact ND1-OH 2.74Å
413	C	97.8	Very high	94.1	Very high	13 Å²	13	56.7 Å²	56.7	9%	0.088	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.6	168.4	-174.3	0	0	0	0	109.6	I367 S368 I399 D400	I367-C413 WeakPolarHBondContact O-CA 3.4Å; S368-C413 VanDerWaalsContact OG-CB 3.28Å; S368-C413 WeakPolarHBondContact OG-CB 3.48Å; S368-C413 PolarHBondContact OG-SG 3.01Å; I399-C413 HydrophobicContact CG1-CB 4.12Å; I399-C413 VanDerWaalsContact CG1-O 3.24Å; I399-C413 WeakPolarHBondContact CG1-O 3.4Å; I399-C413 PolarHBondContact N-O 3.26Å; D400-C413 HydrophobicContact CB-CB 3.88Å; D400-C413 PolarHBondContact N-O 3.39Å; D400-C413 PolarHBondContact O-N 3.44Å
414	Y	98	Very high	94	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.3	178	-64.3	-90.2	0	0	0	110.7	D366 I367 F369 Y376 F381 Y382 V396 D397 L398 H412	D366-Y414 CarbonylContact C-O 3.52Å; D366-Y414 VanDerWaalsContact CA-O 3.29Å; D366-Y414 WeakPolarHBondContact CA-O 3.29Å; I367-Y414 PolarHBondContact N-O 2.87Å; I367-Y414 PolarHBondContact O-N 3.2Å; F369-Y414 HydrophobicContact CE1-CD2 4.01Å; F369-Y414 HydrophobicContact CE1-CE2 4.19Å; F369-Y414 HydrophobicContact CE2-CE2 4.14Å; F369-Y414 AromaticContact CZ-CD2 3.81Å; F369-Y414 HydrophobicContact CZ-CD2 3.81Å; F369-Y414 AromaticContact CZ-CE2 3.52Å; F369-Y414 HydrophobicContact CZ-CE2 3.52Å; Y376-Y414 PolarHBondContact OH-OH 2.99Å; F381-Y414 AromaticContact CD1-CD1 3.92Å; F381-Y414 HydrophobicContact CD1-CD1 3.92Å; F381-Y414 AromaticContact CD1-CD2 3.95Å; F381-Y414 HydrophobicContact CD1-CD2 3.95Å; F381-Y414 AromaticContact CD1-CE1 3.9Å; F381-Y414 HydrophobicContact CD1-CE1 3.9Å; F381-Y414 AromaticContact CD1-CE2 3.94Å; F381-Y414 HydrophobicContact CD1-CE2 3.94Å; F381-Y414 AromaticContact CD1-CG 3.93Å; F381-Y414 HydrophobicContact CD1-CG 3.93Å; F381-Y414 AromaticContact CD1-CZ 3.91Å; F381-Y414 AromaticContact CE1-CD1 3.72Å; F381-Y414 HydrophobicContact CE1-CD1 3.72Å; F381-Y414 AromaticContact CE1-CD2 3.64Å; F381-Y414 HydrophobicContact CE1-CD2 3.64Å; F381-Y414 HydrophobicContact CE1-CE1 4.19Å; F381-Y414 HydrophobicContact CE1-CE2 4.13Å; F381-Y414 AromaticContact CE1-CG 3.41Å; F381-Y414 HydrophobicContact CE1-CG 3.41Å; F381-Y414 VanDerWaalsContact CE1-CG 3.41Å; F381-Y414 HydrophobicContact CG-CE2 4.44Å; F381-Y414 HydrophobicContact CZ-CD2 4.13Å; F381-Y414 HydrophobicContact CZ-CG 4.15Å; Y382-Y414 HydrophobicContact CE1-CD1 4.22Å; Y382-Y414 AromaticContact CE1-CE1 3.9Å; Y382-Y414 HydrophobicContact CE1-CE1 3.9Å; V396-Y414 HydrophobicContact CG1-CD1 3.96Å; V396-Y414 HydrophobicContact CG1-CG 4.46Å; D397-Y414 CarbonylContact O-C 3.58Å; D397-Y414 VanDerWaalsContact O-CA 3.24Å; D397-Y414 WeakPolarHBondContact O-CA 3.36Å; L398-Y414 HydrophobicContact CB-CD1 3.97Å; L398-Y414 HydrophobicContact CB-CE1 3.76Å; L398-Y414 HydrophobicContact CD1-CD1 4.09Å; L398-Y414 HydrophobicContact CD1-CD2 4.45Å; L398-Y414 HydrophobicContact CD1-CE1 3.77Å; L398-Y414 HydrophobicContact CD1-CE2 4.14Å; L398-Y414 HydrophobicContact CD1-CG 4.42Å; L398-Y414 HydrophobicContact CG-CE1 4.26Å; H412-Y414 HydrophobicContact CB-CD2 4.19Å; H412-Y414 HydrophobicContact CB-CE2 3.52Å; H412-Y414 AromaticContact ND1-CE2 3.89Å; H412-Y414 AromaticContact ND1-CZ 3.66Å; H412-Y414 PolarHBondContact ND1-OH 2.74Å
415	R	98.2	Very high	94	Very high	93 Å²	93	52.8 Å²	52.8	35%	0.351	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.8	169.4	178	158.7	-69.4	156.8	6.1	109.8	I364 D366 V396 D397 I399	I364-R415 HydrophobicContact CG2-CG 3.54Å; D366-R415 WeakPolarHBondContact OD1-CA 3.2Å; D366-R415 WeakPolarHBondContact OD1-CB 3.48Å; D366-R415 WeakPolarHBondContact OD1-CG 3.34Å; D366-R415 IonicContact OD1-CZ 2.73Å; D366-R415 IonicContact OD1-NE 3.12Å; D366-R415 PolarHBondContact OD1-NE 3.41Å; D366-R415 IonicContact OD1-NH2 3.65Å; D366-R415 IonicContact OD2-CZ 3.92Å; D366-R415 IonicContact OD2-NE 2.78Å; D366-R415 IonicContact OD2-NH2 3.62Å; D366-R415 PolarHBondContact OD2-NH2 3.34Å; V396-R415 WeakPolarHBondContact CA-O 3.4Å; D397-R415 PolarHBondContact N-O 2.98Å; D397-R415 PolarHBondContact O-N 3.31Å; I399-R415 HydrophobicContact CD1-CB 4.09Å; I399-R415 HydrophobicContact CG1-CB 4.31Å; I399-R415 HydrophobicContact CG2-CB 3.68Å
416	I	98	Very high	94.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.7	179.7	-51.7	178.5	0	0	0	109.5	I364 N365 I367 F381 V385 V393 V396 Y418 L437	I364-I416 WeakPolarHBondContact CA-O 3.48Å; N365-I416 PolarHBondContact N-O 2.83Å; N365-I416 VanDerWaalsContact N-O 3.1Å; N365-I416 PolarHBondContact O-N 3.38Å; I367-I416 HydrophobicContact CG2-CD1 3.88Å; I367-I416 HydrophobicContact CG2-CG1 4.33Å; F381-I416 HydrophobicContact CZ-CD1 4.22Å; V385-I416 HydrophobicContact CG2-CD1 4.42Å; V393-I416 HydrophobicContact CG1-CG2 3.71Å; V393-I416 HydrophobicContact CG2-CG2 4.14Å; V396-I416 HydrophobicContact CG1-CG1 4.39Å; V396-I416 HydrophobicContact CG2-CG1 4.26Å; V396-I416 HydrophobicContact CG2-CG2 4.22Å; I416-Y418 HydrophobicContact CB-CD2 4.46Å; I416-Y418 HydrophobicContact CB-CE2 3.7Å; I416-Y418 HydrophobicContact CG2-CD2 4Å; I416-Y418 HydrophobicContact CG2-CE1 4.08Å; I416-Y418 HydrophobicContact CG2-CE2 3.4Å; I416-Y418 VanDerWaalsContact CG2-CE2 3.4Å; I416-Y418 VanDerWaalsContact CG2-CZ 3.44Å; I416-L437 HydrophobicContact CD1-CD2 3.33Å
417	T	97.6	Very high	94.1	Very high	17 Å²	17	48.2 Å²	48.2	10%	0.104	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.6	173.7	-58	0	0	0	0	109.6	P362 E394 K395	P362-T417 HydrophobicContact CB-CG2 3.9Å; E394-T417 HydrophobicContact CB-CG2 4.38Å; E394-T417 PolarHBondContact N-O 2.86Å; K395-T417 PolarHBondContact N-O 3.02Å; K395-T417 PolarHBondContact O-N 2.86Å
418	Y	97.1	Very high	94.3	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.1	174.5	-61.8	-92.5	0	0	0	109.6	P362 M363 N365 L392 V393 I416 V430 I433 H434	P362-Y418 WeakPolarHBondContact CA-O 3.31Å; M363-Y418 PolarHBondContact N-O 2.69Å; M363-Y418 PolarHBondContact O-N 2.67Å; N365-Y418 HydrophobicContact CB-CE2 4.25Å; L392-Y418 CarbonylContact O-C 3.55Å; L392-Y418 WeakPolarHBondContact O-CA 3.28Å; V393-Y418 HydrophobicContact CG2-CD1 3.99Å; V393-Y418 HydrophobicContact CG2-CE1 3.78Å; I416-Y418 HydrophobicContact CB-CD2 4.46Å; I416-Y418 HydrophobicContact CB-CE2 3.7Å; I416-Y418 HydrophobicContact CG2-CD2 4Å; I416-Y418 HydrophobicContact CG2-CE1 4.08Å; I416-Y418 HydrophobicContact CG2-CE2 3.4Å; I416-Y418 VanDerWaalsContact CG2-CE2 3.4Å; I416-Y418 VanDerWaalsContact CG2-CZ 3.44Å; Y418-V430 HydrophobicContact CD1-CG1 4.22Å; Y418-V430 HydrophobicContact CD1-CG2 4.36Å; Y418-V430 HydrophobicContact CD2-CG1 3.64Å; Y418-V430 HydrophobicContact CE2-CG1 4.06Å; Y418-V430 HydrophobicContact CG-CG1 3.75Å; Y418-V430 HydrophobicContact CG-CG2 4.12Å; Y418-I433 HydrophobicContact CE1-CG2 4.01Å; Y418-H434 AromaticContact CE2-ND1 3.84Å; Y418-H434 AromaticContact CZ-ND1 3.78Å; Y418-H434 PolarHBondContact OH-ND1 3.48Å
419	R	93.5	Very high	94.5	Very high	52 Å²	52	49.2 Å²	49.2	20%	0.196	23%	0.228	C	C	.	.			trans	-152.8	124.2	171.8	-171.6	-174.1	-66.8	139.4	-1.1	109.2	R330 Y360 L392 E394	R330-R419 PolarHBondContact NH1-O 3.06Å; Y360-R419 WeakPolarHBondContact O-CD 3.26Å; Y360-R419 WeakPolarHBondContact O-CG 3.37Å; Y360-R419 PolarHBondContact O-NE 3.44Å; L392-R419 CarbonylContact O-C 3.44Å; L392-R419 PolarHBondContact O-N 3.47Å; E394-R419 HydrophobicContact CB-CB 4.15Å; E394-R419 IonicContact OE1-CZ 3.5Å; E394-R419 IonicContact OE1-NH1 2.72Å; E394-R419 PolarHBondContact OE1-NH1 3.36Å; E394-R419 IonicContact OE1-NH2 3.35Å; E394-R419 VanDerWaalsContact OE2-CD 3.26Å; E394-R419 WeakPolarHBondContact OE2-CD 3.11Å; E394-R419 IonicContact OE2-CZ 2.92Å; E394-R419 IonicContact OE2-NE 2.71Å; E394-R419 IonicContact OE2-NH1 3.87Å; E394-R419 PolarHBondContact OE2-NH1 3.36Å
420	H	91.8	Very high	94.7	Very high	33 Å²	33	45.7 Å²	45.7	15%	0.153	21%	0.213	C	C	.	.			trans	-91.1	142.9	174	-166.1	-91	0	0	0	110.5	Y360 L392 E422 R423 L425	Y360-H420 WeakPolarHBondContact CD2-O 3.35Å; L392-H420 HydrophobicContact CD2-CB 4.33Å; H420-E422 VanDerWaalsContact C-N 3.28Å; H420-E422 IonicContact CE1-OE2 2.59Å; H420-E422 PolarHBondContact ND1-N 2.95Å; H420-E422 PolarHBondContact O-N 2.81Å; H420-R423 HydrophobicContact CB-CG 4.33Å; H420-R423 PolarHBondContact ND1-N 3.4Å; H420-L425 HydrophobicContact CB-CD1 4.38Å; H420-L425 HydrophobicContact CB-CD2 3.79Å; H420-L425 HydrophobicContact CB-CG 4.04Å
421	M	87.2	Confident	94.7	Very high	36 Å²	36	50.1 Å²	50.1	18%	0.177	23%	0.225	C	C	.	.	S	Bend	trans	-74	-19.7	-176.6	-63.7	-53.3	-69.8	0	0	113.4	D328 R330 L331 Y360	D328-M421 HydrophobicContact CB-CE 3.86Å; D328-M421 HydrophobicContact CB-SD 4.31Å; R330-M421 PolarHBondContact NH2-SD 3.38Å; L331-M421 HydrophobicContact CD1-CE 3.9Å; L331-M421 HydrophobicContact CD2-CB 4Å; L331-M421 HydrophobicContact CD2-CE 3.88Å; L331-M421 HydrophobicContact CD2-CG 4.27Å; L331-M421 HydrophobicContact CG-CE 3.83Å; Y360-M421 WeakPolarHBondContact CE2-O 3.43Å
422	E	87.3	Confident	94.8	Very high	64 Å²	64	54.5 Å²	54.5	30%	0.299	25%	0.245	S	C	.	.	S	Bend	trans	-115.8	-12.6	-169	-49.2	170.3	-172.3	0	0	114.7	S334 D336 R338 Y360 H420	S334-E422 WeakPolarHBondContact CB-OE1 3.26Å; S334-E422 PolarHBondContact OG-OE1 3.41Å; D336-E422 HydrophobicContact CB-CG 4.13Å; R338-E422 PolarHBondContact NH2-O 2.9Å; Y360-E422 PolarHBondContact OH-O 3.06Å; Y360-E422 VanDerWaalsContact OH-O 3.11Å; H420-E422 VanDerWaalsContact C-N 3.28Å; H420-E422 IonicContact CE1-OE2 2.59Å; H420-E422 PolarHBondContact ND1-N 2.95Å; H420-E422 PolarHBondContact O-N 2.81Å
423	R	89.6	Confident	94.8	Very high	101 Å²	101	56.3 Å²	56.3	38%	0.381	26%	0.255	S	S	.	.	S	Bend	trans	-158.1	159.8	-176.8	67.4	-178.3	179.1	83.6	-0.7	113.3	H420 E429	H420-R423 HydrophobicContact CB-CG 4.33Å; H420-R423 PolarHBondContact ND1-N 3.4Å; R423-E429 IonicContact CZ-OE2 3.66Å; R423-E429 VanDerWaalsContact CZ-OE2 3.23Å; R423-E429 VanDerWaalsContact NH1-CD 3.34Å; R423-E429 IonicContact NH1-OE1 2.82Å; R423-E429 PolarHBondContact NH1-OE1 3.05Å; R423-E429 VanDerWaalsContact NH1-OE1 3.1Å; R423-E429 IonicContact NH1-OE2 2.72Å; R423-E429 PolarHBondContact NH1-OE2 2.77Å; R423-E429 IonicContact NH2-OE2 3.23Å; R423-E429 PolarHBondContact NH2-OE2 3.1Å
424	T	92.1	Very high	94.8	Very high	78 Å²	78	56.2 Å²	56.2	48%	0.479	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-69.1	138.1	167.8	-56.4	0	0	0	0	110.7	Y360 P361	Y360-T424 VanDerWaalsContact CD1-N 3.35Å; Y360-T424 VanDerWaalsContact CD1-OG1 3.31Å; Y360-T424 WeakPolarHBondContact CD1-OG1 3.3Å; P361-T424 HydrophobicContact CG-CG2 4Å
425	L	94.1	Very high	94.7	Very high	12 Å²	12	60.3 Å²	60.3	6%	0.063	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-90.3	144.1	172.2	-62.2	-177.4	0	0	0	110.5	M363 L392 H420 E429 V430	M363-L425 HydrophobicContact CE-CB 3.16Å; M363-L425 HydrophobicContact CE-CG 4.45Å; M363-L425 WeakPolarHBondContact CE-O 3.2Å; L392-L425 HydrophobicContact CD2-CD1 4.22Å; L392-L425 HydrophobicContact CD2-CD2 3.52Å; H420-L425 HydrophobicContact CB-CD1 4.38Å; H420-L425 HydrophobicContact CB-CD2 3.79Å; H420-L425 HydrophobicContact CB-CG 4.04Å; L425-E429 WeakPolarHBondContact CA-OE1 3.27Å; L425-V430 HydrophobicContact CB-CG2 4.07Å; L425-V430 HydrophobicContact CD1-CG2 3.97Å
426	S	95.5	Very high	94.7	Very high	55 Å²	55	57.8 Å²	57.8	39%	0.385	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-91.2	145.5	174.7	65.8	0	0	0	0	111.4	R428 E429 V430	S426-R428 PolarHBondContact O-N 2.91Å; S426-R428 VanDerWaalsContact O-N 3.15Å; S426-E429 PolarHBondContact N-OE1 3.29Å; S426-E429 WeakPolarHBondContact O-CG 3.47Å; S426-E429 PolarHBondContact O-N 2.84Å; S426-E429 VanDerWaalsContact O-N 3.15Å; S426-E429 WeakPolarHBondContact OG-CB 3.27Å; S426-E429 WeakPolarHBondContact OG-CG 3.16Å; S426-E429 PolarHBondContact OG-N 2.86Å; S426-E429 PolarHBondContact OG-OE1 3.43Å; S426-V430 PolarHBondContact O-N 3.39Å
427	Q	94.1	Very high	94.6	Very high	132 Å²	132	58 Å²	58	62%	0.617	27%	0.272	S	S	*	.	H	α-helix	trans	-54.9	-36.3	174.5	-72.9	-70	-12.1	0	0	112.2	M363 R431	M363-Q427 HydrophobicContact SD-CB 4.47Å; M363-Q427 HydrophobicContact SD-CG 3.97Å; M363-Q427 PolarHBondContact SD-NE2 3.42Å; M363-Q427 VanDerWaalsContact SD-NE2 3.4Å; Q427-R431 WeakPolarHBondContact O-CB 3.47Å; Q427-R431 PolarHBondContact O-N 3.04Å; Q427-R431 VanDerWaalsContact O-N 3.08Å
428	R	95.8	Very high	94.6	Very high	178 Å²	178	59 Å²	59	67%	0.672	28%	0.276	S	S	*	.	H	α-helix	trans	-63.1	-51	178	-173.6	179.2	175.9	172.8	0.2	111	S426 R431 H432	S426-R428 PolarHBondContact O-N 2.91Å; S426-R428 VanDerWaalsContact O-N 3.15Å; R428-R431 PolarHBondContact O-N 3.03Å; R428-H432 VanDerWaalsContact CG-CE1 3.45Å; R428-H432 WeakPolarHBondContact CG-CE1 3.4Å; R428-H432 PolarHBondContact O-N 3.5Å; R428-H432 PolarHBondContact O-ND1 3.1Å
429	E	96.1	Very high	94.5	Very high	47 Å²	47	64.7 Å²	64.7	22%	0.22	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-43.6	-176	82.5	-166.7	99.8	0	0	111.8	R423 L425 S426 R431 H432 I433	R423-E429 IonicContact CZ-OE2 3.66Å; R423-E429 VanDerWaalsContact CZ-OE2 3.23Å; R423-E429 VanDerWaalsContact NH1-CD 3.34Å; R423-E429 IonicContact NH1-OE1 2.82Å; R423-E429 PolarHBondContact NH1-OE1 3.05Å; R423-E429 VanDerWaalsContact NH1-OE1 3.1Å; R423-E429 IonicContact NH1-OE2 2.72Å; R423-E429 PolarHBondContact NH1-OE2 2.77Å; R423-E429 IonicContact NH2-OE2 3.23Å; R423-E429 PolarHBondContact NH2-OE2 3.1Å; L425-E429 WeakPolarHBondContact CA-OE1 3.27Å; S426-E429 PolarHBondContact N-OE1 3.29Å; S426-E429 WeakPolarHBondContact O-CG 3.47Å; S426-E429 PolarHBondContact O-N 2.84Å; S426-E429 VanDerWaalsContact O-N 3.15Å; S426-E429 WeakPolarHBondContact OG-CB 3.27Å; S426-E429 WeakPolarHBondContact OG-CG 3.16Å; S426-E429 PolarHBondContact OG-N 2.86Å; S426-E429 PolarHBondContact OG-OE1 3.43Å; E429-R431 VanDerWaalsContact C-N 3.32Å; E429-R431 PolarHBondContact O-N 2.84Å; E429-H432 PolarHBondContact O-N 3.1Å; E429-I433 WeakPolarHBondContact O-CG1 3.36Å; E429-I433 PolarHBondContact O-N 2.68Å
430	V	96.7	Very high	94.6	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-39.1	179.6	168	0	0	0	0	111.3	M363 Y418 L425 S426 H432 I433 H434	M363-V430 HydrophobicContact CB-CG1 4.38Å; M363-V430 HydrophobicContact CE-CB 3.95Å; M363-V430 HydrophobicContact CE-CG2 3.29Å; M363-V430 HydrophobicContact SD-CB 4.17Å; M363-V430 HydrophobicContact SD-CG2 4.14Å; Y418-V430 HydrophobicContact CD1-CG1 4.22Å; Y418-V430 HydrophobicContact CD1-CG2 4.36Å; Y418-V430 HydrophobicContact CD2-CG1 3.64Å; Y418-V430 HydrophobicContact CE2-CG1 4.06Å; Y418-V430 HydrophobicContact CG-CG1 3.75Å; Y418-V430 HydrophobicContact CG-CG2 4.12Å; L425-V430 HydrophobicContact CB-CG2 4.07Å; L425-V430 HydrophobicContact CD1-CG2 3.97Å; S426-V430 PolarHBondContact O-N 3.39Å; V430-H432 PolarHBondContact O-N 2.99Å; V430-I433 PolarHBondContact O-N 3.01Å; V430-H434 VanDerWaalsContact O-CB 3.26Å; V430-H434 WeakPolarHBondContact O-CB 3.18Å; V430-H434 PolarHBondContact O-N 2.9Å
431	R	96.1	Very high	94.7	Very high	133 Å²	133	61.1 Å²	61.1	50%	0.502	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-43.5	174.9	-174.5	176.7	64.9	-149.5	0.7	112.7	Q427 R428 E429 H434 Q435	Q427-R431 WeakPolarHBondContact O-CB 3.47Å; Q427-R431 PolarHBondContact O-N 3.04Å; Q427-R431 VanDerWaalsContact O-N 3.08Å; R428-R431 PolarHBondContact O-N 3.03Å; E429-R431 VanDerWaalsContact C-N 3.32Å; E429-R431 PolarHBondContact O-N 2.84Å; R431-H434 PolarHBondContact O-N 3.46Å; R431-Q435 HydrophobicContact CG-CG 4.46Å; R431-Q435 WeakPolarHBondContact O-CB 3.45Å; R431-Q435 VanDerWaalsContact O-CG 3.26Å; R431-Q435 WeakPolarHBondContact O-CG 3.26Å; R431-Q435 PolarHBondContact O-N 3.24Å
432	H	97.1	Very high	95.1	Very high	91 Å²	91	62.2 Å²	62.2	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-66.2	-41.4	179.1	-69.7	86.4	0	0	0	111.4	R428 E429 V430 Q435 A436	R428-H432 VanDerWaalsContact CG-CE1 3.45Å; R428-H432 WeakPolarHBondContact CG-CE1 3.4Å; R428-H432 PolarHBondContact O-N 3.5Å; R428-H432 PolarHBondContact O-ND1 3.1Å; E429-H432 PolarHBondContact O-N 3.1Å; V430-H432 PolarHBondContact O-N 2.99Å; H432-Q435 PolarHBondContact O-N 3.23Å; H432-A436 WeakPolarHBondContact O-CB 3.28Å; H432-A436 PolarHBondContact O-N 3.38Å
433	I	97	Very high	95.3	Very high	43 Å²	43	64.3 Å²	64.3	22%	0.221	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-43.8	176	-65.7	-63.9	0	0	0	111	I388 L392 Y418 E429 V430 A436 L437	I388-I433 HydrophobicContact CG2-CG2 4.32Å; L392-I433 HydrophobicContact CD1-CD1 4.5Å; L392-I433 HydrophobicContact CD1-CG1 4.27Å; Y418-I433 HydrophobicContact CE1-CG2 4.01Å; E429-I433 WeakPolarHBondContact O-CG1 3.36Å; E429-I433 PolarHBondContact O-N 2.68Å; V430-I433 PolarHBondContact O-N 3.01Å; I433-A436 PolarHBondContact O-N 2.96Å; I433-L437 WeakPolarHBondContact O-CB 3.33Å; I433-L437 PolarHBondContact O-N 3.38Å
434	H	97.8	Very high	95.4	Very high	11 Å²	11	65.8 Å²	65.8	5%	0.051	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-39.2	-179.8	-162.9	81.5	0	0	0	112.4	N365 D366 Y418 V430 R431 L437 Q438	N365-H434 VanDerWaalsContact CB-CE1 3.49Å; N365-H434 WeakPolarHBondContact CB-CE1 3.47Å; D366-H434 PolarHBondContact O-NE2 3.42Å; Y418-H434 AromaticContact CE2-ND1 3.84Å; Y418-H434 AromaticContact CZ-ND1 3.78Å; Y418-H434 PolarHBondContact OH-ND1 3.48Å; V430-H434 VanDerWaalsContact O-CB 3.26Å; V430-H434 WeakPolarHBondContact O-CB 3.18Å; V430-H434 PolarHBondContact O-N 2.9Å; R431-H434 PolarHBondContact O-N 3.46Å; H434-L437 WeakPolarHBondContact O-CB 3.3Å; H434-L437 PolarHBondContact O-N 3.45Å; H434-Q438 WeakPolarHBondContact O-CG 3.47Å; H434-Q438 PolarHBondContact O-N 3.2Å
435	Q	96.8	Very high	95.4	Very high	86 Å²	86	63.9 Å²	63.9	40%	0.402	30%	0.3	S	S	.	.	H	α-helix	trans	-64.4	-45.1	173.5	-75.2	173.7	-22.8	0	0	111.7	R431 H432 L437 Q438 E439	R431-Q435 HydrophobicContact CG-CG 4.46Å; R431-Q435 WeakPolarHBondContact O-CB 3.45Å; R431-Q435 VanDerWaalsContact O-CG 3.26Å; R431-Q435 WeakPolarHBondContact O-CG 3.26Å; R431-Q435 PolarHBondContact O-N 3.24Å; H432-Q435 PolarHBondContact O-N 3.23Å; Q435-L437 PolarHBondContact O-N 2.71Å; Q435-Q438 WeakPolarHBondContact O-CB 3.26Å; Q435-Q438 PolarHBondContact O-N 3.24Å; Q435-Q438 VanDerWaalsContact O-N 3.15Å; Q435-E439 WeakPolarHBondContact O-CG 3.26Å; Q435-E439 PolarHBondContact O-N 2.81Å
436	A	97	Very high	95.3	Very high	40 Å²	40	65.7 Å²	65.7	33%	0.331	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-36.8	174.9	0	0	0	0	0	111.8	I388 H432 I433 A440	I388-A436 HydrophobicContact CG2-CB 4.23Å; H432-A436 WeakPolarHBondContact O-CB 3.28Å; H432-A436 PolarHBondContact O-N 3.38Å; I433-A436 PolarHBondContact O-N 2.96Å; A436-A440 VanDerWaalsContact O-CB 3.23Å; A436-A440 WeakPolarHBondContact O-CB 3.13Å; A436-A440 PolarHBondContact O-N 3.43Å
437	L	96.7	Very high	95.2	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-49.8	172.8	179.6	65.4	0	0	0	111.3	I367 F381 L384 V385 I388 I416 I433 H434 Q435 E439 A440 V441	I367-L437 HydrophobicContact CD1-CG 4.4Å; F381-L437 HydrophobicContact CE2-CD1 4.43Å; L384-L437 HydrophobicContact CG-CD1 4.19Å; V385-L437 HydrophobicContact CG2-CD1 3.96Å; V385-L437 HydrophobicContact CG2-CD2 3.94Å; I388-L437 HydrophobicContact CD1-CB 4.49Å; I388-L437 HydrophobicContact CD1-CD1 4.03Å; I388-L437 HydrophobicContact CG2-CB 4.37Å; I416-L437 HydrophobicContact CD1-CD2 3.33Å; I433-L437 WeakPolarHBondContact O-CB 3.33Å; I433-L437 PolarHBondContact O-N 3.38Å; H434-L437 WeakPolarHBondContact O-CB 3.3Å; H434-L437 PolarHBondContact O-N 3.45Å; Q435-L437 PolarHBondContact O-N 2.71Å; L437-E439 VanDerWaalsContact C-N 3.32Å; L437-E439 PolarHBondContact O-N 3.22Å; L437-A440 PolarHBondContact O-N 3.32Å; L437-A440 VanDerWaalsContact O-N 3.16Å; L437-V441 HydrophobicContact CD1-CG2 3.84Å; L437-V441 HydrophobicContact CG-CG2 4.08Å; L437-V441 WeakPolarHBondContact O-CG2 2.91Å; L437-V441 PolarHBondContact O-N 2.99Å
438	Q	96.7	Very high	95.2	Very high	37 Å²	37	61.9 Å²	61.9	17%	0.173	30%	0.298	C	S	.	.	H	α-helix	trans	-54.7	-47	177.7	-72.4	170.2	-26.9	0	0	112.1	I367 H434 Q435 V442 F451	I367-Q438 HydrophobicContact CD1-CB 4.4Å; I367-Q438 HydrophobicContact CD1-CG 3.63Å; I367-Q438 HydrophobicContact CG1-CG 4.1Å; H434-Q438 WeakPolarHBondContact O-CG 3.47Å; H434-Q438 PolarHBondContact O-N 3.2Å; Q435-Q438 WeakPolarHBondContact O-CB 3.26Å; Q435-Q438 PolarHBondContact O-N 3.24Å; Q435-Q438 VanDerWaalsContact O-N 3.15Å; Q438-V442 WeakPolarHBondContact O-CG2 3.24Å; Q438-V442 PolarHBondContact O-N 2.77Å; Q438-F451 HydrophobicContact CB-CD1 4.09Å; Q438-F451 HydrophobicContact CB-CE1 3.83Å; Q438-F451 HydrophobicContact CB-CZ 4.33Å; Q438-F451 HydrophobicContact CG-CD1 3.8Å; Q438-F451 HydrophobicContact CG-CE1 4.09Å; Q438-F451 HydrophobicContact CG-CG 4.33Å
439	E	96	Very high	95	Very high	123 Å²	123	54.8 Å²	54.8	58%	0.575	28%	0.281	S	S	*	.	H	α-helix	trans	-62	-45.6	176.9	-69.9	173.7	-170.9	0	0	111.8	Q435 L437 V442 Q443	Q435-E439 WeakPolarHBondContact O-CG 3.26Å; Q435-E439 PolarHBondContact O-N 2.81Å; L437-E439 VanDerWaalsContact C-N 3.32Å; L437-E439 PolarHBondContact O-N 3.22Å; E439-V442 PolarHBondContact O-N 3.3Å; E439-Q443 WeakPolarHBondContact O-CG 3.5Å; E439-Q443 PolarHBondContact O-N 3.48Å
440	A	94.8	Very high	94.7	Very high	9 Å²	9	57.6 Å²	57.6	7%	0.074	29%	0.289	C	S	.	.	H	α-helix	trans	-69.9	-33.5	-177.7	0	0	0	0	0	113.2	L384 I388 A436 L437 V442 Q443 R444	L384-A440 HydrophobicContact CD1-CB 4.19Å; L384-A440 HydrophobicContact CD2-CB 4.22Å; I388-A440 HydrophobicContact CD1-CB 3.24Å; A436-A440 VanDerWaalsContact O-CB 3.23Å; A436-A440 WeakPolarHBondContact O-CB 3.13Å; A436-A440 PolarHBondContact O-N 3.43Å; L437-A440 PolarHBondContact O-N 3.32Å; L437-A440 VanDerWaalsContact O-N 3.16Å; A440-V442 VanDerWaalsContact C-N 3.33Å; A440-Q443 PolarHBondContact O-N 3.37Å; A440-R444 VanDerWaalsContact O-CB 3.23Å; A440-R444 WeakPolarHBondContact O-CB 3.35Å; A440-R444 WeakPolarHBondContact O-CG 3.39Å; A440-R444 PolarHBondContact O-N 2.86Å
441	V	94.5	Very high	93.8	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-65	-42.6	177.5	179.6	0	0	0	0	109	I367 F369 F381 L384 L437 L445 V447	I367-V441 HydrophobicContact CD1-CG2 4.37Å; F369-V441 HydrophobicContact CD1-CG1 3.93Å; F369-V441 HydrophobicContact CE1-CG1 3.76Å; F369-V441 HydrophobicContact CE2-CG1 4.37Å; F369-V441 HydrophobicContact CG-CG1 4.31Å; F369-V441 HydrophobicContact CZ-CG1 3.98Å; F381-V441 HydrophobicContact CD2-CG1 4.33Å; F381-V441 HydrophobicContact CD2-CG2 3.89Å; F381-V441 HydrophobicContact CE2-CG2 3.68Å; L384-V441 HydrophobicContact CD2-CB 4.17Å; L384-V441 HydrophobicContact CD2-CG2 3.63Å; L437-V441 HydrophobicContact CD1-CG2 3.84Å; L437-V441 HydrophobicContact CG-CG2 4.08Å; L437-V441 WeakPolarHBondContact O-CG2 2.91Å; L437-V441 PolarHBondContact O-N 2.99Å; V441-L445 HydrophobicContact CG1-CB 4.46Å; V441-L445 HydrophobicContact CG1-CD1 4.12Å; V441-L445 WeakPolarHBondContact O-CA 3.46Å; V441-L445 WeakPolarHBondContact O-CB 3.31Å; V441-L445 PolarHBondContact O-N 3.15Å; V441-V447 HydrophobicContact CB-CG2 4.2Å; V441-V447 HydrophobicContact CG1-CB 4.27Å; V441-V447 HydrophobicContact CG1-CG1 3.92Å; V441-V447 HydrophobicContact CG1-CG2 3.35Å
442	V	94.6	Very high	93.7	Very high	58 Å²	58	61.1 Å²	61.1	35%	0.352	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-48.5	174.4	175.5	0	0	0	0	111.1	Q438 E439 A440 G446 V447 F451	Q438-V442 WeakPolarHBondContact O-CG2 3.24Å; Q438-V442 PolarHBondContact O-N 2.77Å; E439-V442 PolarHBondContact O-N 3.3Å; A440-V442 VanDerWaalsContact C-N 3.33Å; V442-G446 WeakPolarHBondContact O-CA 3.47Å; V442-G446 PolarHBondContact O-N 2.72Å; V442-V447 HydrophobicContact CG2-CG2 4.1Å; V442-F451 HydrophobicContact CG2-CE1 4.35Å; V442-F451 HydrophobicContact CG2-CZ 4.28Å
443	Q	93.1	Very high	93.6	Very high	108 Å²	108	59.5 Å²	59.5	51%	0.505	30%	0.304	S	S	.	.	H	α-helix	trans	-69.2	-40.9	-176.2	-71.4	176.3	2.4	0	0	113.7	A42 E439 A440	A42-Q443 VanDerWaalsContact CB-O 3.22Å; A42-Q443 WeakPolarHBondContact CB-O 3.43Å; E439-Q443 WeakPolarHBondContact O-CG 3.5Å; E439-Q443 PolarHBondContact O-N 3.48Å; A440-Q443 PolarHBondContact O-N 3.37Å
444	R	90	Very high	93.4	Very high	133 Å²	133	60.4 Å²	60.4	50%	0.502	31%	0.309	S	S	.	.	H	α-helix	trans	-100	-30.9	-168.9	-62.2	-176.1	174.8	-168.7	-4.6	113.7	E40 A440	E40-R444 IonicContact OE2-NH2 3.15Å; E40-R444 PolarHBondContact OE2-NH2 2.67Å; E40-R444 VanDerWaalsContact OE2-NH2 3.08Å; A440-R444 VanDerWaalsContact O-CB 3.23Å; A440-R444 WeakPolarHBondContact O-CB 3.35Å; A440-R444 WeakPolarHBondContact O-CG 3.39Å; A440-R444 PolarHBondContact O-N 2.86Å
445	L	92.4	Very high	93.1	Very high	37 Å²	37	63.3 Å²	63.3	19%	0.194	32%	0.324	C	S	.	.	H	α-helix	trans	-104.2	-2.1	179.4	-55.7	-177.5	0	0	0	112.6	Y376 D380 F381 L384 V441 V447	Y376-L445 HydrophobicContact CE2-CD1 4.21Å; D380-L445 HydrophobicContact CB-CD2 3.86Å; F381-L445 HydrophobicContact CB-CD1 4.1Å; F381-L445 HydrophobicContact CD2-CD1 4.41Å; L384-L445 HydrophobicContact CD2-CD1 4.03Å; L384-L445 HydrophobicContact CD2-CG 4.1Å; V441-L445 HydrophobicContact CG1-CB 4.46Å; V441-L445 HydrophobicContact CG1-CD1 4.12Å; V441-L445 WeakPolarHBondContact O-CA 3.46Å; V441-L445 WeakPolarHBondContact O-CB 3.31Å; V441-L445 PolarHBondContact O-N 3.15Å; L445-V447 HydrophobicContact CB-CG1 3.93Å; L445-V447 PolarHBondContact O-N 2.94Å
446	G	92	Very high	92.9	Very high	51 Å²	51	61.9 Å²	61.9	53%	0.526	32%	0.319	S	S	.	.			trans	63.9	23.9	176.4	0	0	0	0	0	113.7	V442	V442-G446 WeakPolarHBondContact O-CA 3.47Å; V442-G446 PolarHBondContact O-N 2.72Å
447	V	93.9	Very high	92.6	Very high	6 Å²	6	63.3 Å²	63.3	4%	0.036	32%	0.319	C	S	.	.			trans	-78.7	159.7	178.7	-50.1	0	0	0	0	110.7	F369 W370 V441 V442 L445	F369-V447 HydrophobicContact CB-CB 3.95Å; F369-V447 HydrophobicContact CB-CG2 3.65Å; F369-V447 HydrophobicContact CD1-CG2 4.38Å; F369-V447 HydrophobicContact CD2-CB 3.71Å; F369-V447 HydrophobicContact CD2-CG1 3.56Å; F369-V447 HydrophobicContact CD2-CG2 3.96Å; F369-V447 HydrophobicContact CE2-CB 4.48Å; F369-V447 HydrophobicContact CE2-CG1 3.85Å; F369-V447 HydrophobicContact CG-CB 3.99Å; F369-V447 HydrophobicContact CG-CG1 4.24Å; F369-V447 HydrophobicContact CG-CG2 3.75Å; W370-V447 WeakPolarHBondContact O-CA 3.33Å; W370-V447 WeakPolarHBondContact O-CB 3.39Å; V441-V447 HydrophobicContact CB-CG2 4.2Å; V441-V447 HydrophobicContact CG1-CB 4.27Å; V441-V447 HydrophobicContact CG1-CG1 3.92Å; V441-V447 HydrophobicContact CG1-CG2 3.35Å; V442-V447 HydrophobicContact CG2-CG2 4.1Å; L445-V447 HydrophobicContact CB-CG1 3.93Å; L445-V447 PolarHBondContact O-N 2.94Å
448	E	94.3	Very high	92.3	Very high	100 Å²	100	67.6 Å²	67.6	47%	0.467	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114.4	169.1	-177.8	-175.1	167.6	0	0	109.6	F369 W370 K409 R450	F369-E448 CarbonylContact C-O 3.49Å; F369-E448 VanDerWaalsContact CA-O 3.31Å; F369-E448 WeakPolarHBondContact CA-O 3.49Å; F369-E448 WeakPolarHBondContact CB-O 3.43Å; W370-E448 HydrophobicContact CB-CB 4.15Å; W370-E448 PolarHBondContact N-O 3.1Å; W370-E448 PolarHBondContact O-N 2.83Å; K409-E448 IonicContact NZ-OE2 3.63Å; K409-E448 PolarHBondContact NZ-OE2 3.3Å; E448-R450 PolarHBondContact O-N 3.32Å
449	G	91.7	Very high	92	Very high	29 Å²	29	69.9 Å²	69.9	30%	0.299	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	130	-178.3	0	0	0	0	0	113.1
450	R	88.9	Confident	91.6	Very high	107 Å²	107	65.5 Å²	65.5	40%	0.404	33%	0.334	S	S	.	.			trans	-116.4	5.1	175.1	-167.7	-177	164.2	-118.6	-5.8	111.5	S368 S411 E448	S368-R450 CarbonylContact O-C 3.51Å; S368-R450 WeakPolarHBondContact O-CA 3.38Å; S368-R450 PolarHBondContact O-N 3.24Å; S411-R450 PolarHBondContact OG-NH1 3.35Å; E448-R450 PolarHBondContact O-N 3.32Å
451	F	79.4	Confident	91.3	Very high	147 Å²	147	70.6 Å²	70.6	65%	0.645	36%	0.358	S	S	*	.			trans	-42.5	0	-166.6	1.9	-89.9	0	0	0	114.2	I367 S368 Q438 V442	I367-F451 HydrophobicContact CG1-CD1 4.46Å; S368-F451 PolarHBondContact O-N 3.08Å; Q438-F451 HydrophobicContact CB-CD1 4.09Å; Q438-F451 HydrophobicContact CB-CE1 3.83Å; Q438-F451 HydrophobicContact CB-CZ 4.33Å; Q438-F451 HydrophobicContact CG-CD1 3.8Å; Q438-F451 HydrophobicContact CG-CE1 4.09Å; Q438-F451 HydrophobicContact CG-CG 4.33Å; V442-F451 HydrophobicContact CG2-CE1 4.35Å; V442-F451 HydrophobicContact CG2-CZ 4.28Å

Retrieved 451 of 451 residues in 333.7 ms (Link to these results)

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