A0A3Q0KDW0_SCHMA Loading...

Putative 4.1 G protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KDW0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 567 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	36.6	Very low	38	Very low	250 Å²	250	167.9 Å²	167.9	100%	1.232	83%	0.833	S	S	*	*				0	166.6	0	-66	-176.7	-173.4	0	0	109.3
2	A	34.4	Very low	38.2	Very low	102 Å²	102	170.8 Å²	170.8	84%	0.843	84%	0.837	S	S	*	*			trans	-81.7	131.7	-158.6	0	0	0	0	0	116.4
3	A	34.2	Very low	38	Very low	81 Å²	81	176 Å²	176	67%	0.669	84%	0.842	S	S	*	*			trans	1.5	133.2	138.2	0	0	0	0	0	122.3
4	I	41.8	Very low	38.2	Very low	148 Å²	148	181.3 Å²	181.3	76%	0.759	85%	0.85	S	S	*	*				88.4	106.9	120.4	-68	173.9	0	0	0	121.2
5	I	41.4	Very low	38.2	Very low	154 Å²	154	180.3 Å²	180.3	79%	0.79	85%	0.852	S	S	*	*				58	127.5	128.8	-52.8	177	0	0	0	120.6
6	R	39.4	Very low	38.1	Very low	216 Å²	216	178.1 Å²	178.1	82%	0.815	86%	0.855	S	S	*	*			trans	-110.1	145.4	166.8	-93.1	-172	173.7	113.8	-3.6	111.4
7	F	37	Very low	38.5	Very low	162 Å²	162	174.4 Å²	174.4	71%	0.711	85%	0.851	S	S	*	*			trans	60.4	140.4	150.1	-76.8	-118.3	0	0	0	117.8
8	F	39	Very low	38.4	Very low	188 Å²	188	169.9 Å²	169.9	83%	0.825	85%	0.847	S	S	*	*				-157.5	159.8	51	-100.4	-79.9	0	0	0	113
9	S	35	Very low	38.6	Very low	105 Å²	105	167.6 Å²	167.6	73%	0.734	85%	0.846	S	S	*	*			trans	-85.2	149.1	178	57.3	0	0	0	0	114.6
10	K	39.8	Very low	38.8	Very low	213 Å²	213	165.5 Å²	165.5	93%	0.926	84%	0.842	S	S	*	*			trans	-149.3	142.8	148	-112.1	168.4	-173.8	176.4	0	112.1
11	R	39.1	Very low	38.8	Very low	228 Å²	228	162.5 Å²	162.5	86%	0.86	83%	0.834	S	S	*	*			trans	-65.9	153.8	-176.1	-63.4	169.6	169.8	172.4	-4.7	112.2
12	F	40.4	Very low	39.1	Very low	202 Å²	202	154.1 Å²	154.1	89%	0.886	80%	0.8	S	S	*	*				-172.6	157.3	104.9	-111.3	-86.4	0	0	0	112.5
13	R	36.4	Very low	39.6	Very low	239 Å²	239	154.3 Å²	154.3	90%	0.902	78%	0.783	S	S	*	*			trans	-69.5	152.2	-169.1	-67.2	174	169.2	173.7	-5.5	114.2
14	R	39.8	Very low	40.2	Very low	250 Å²	250	152.9 Å²	152.9	94%	0.943	77%	0.766	S	S	*	*			trans	-137	155	156.8	-95.2	-175.8	174.1	143.8	0.1	111
15	N	38	Very low	40	Very low	166 Å²	166	155.3 Å²	155.3	89%	0.888	77%	0.774	S	S	*	*			trans	-60.8	141.3	-167.5	-65.9	-11.8	0	0	0	114.7
16	T	37.5	Very low	39.9	Very low	146 Å²	146	155.4 Å²	155.4	90%	0.896	77%	0.771	S	S	*	*			trans	-81.4	112.2	160.6	41.7	0	0	0	0	110.4
17	S	43.9	Very low	39.7	Very low	114 Å²	114	148 Å²	148	80%	0.797	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-84.7	135.7	160.4	49.5	0	0	0	0	109.6
18	A	38.3	Very low	40	Very low	94 Å²	94	145.3 Å²	145.3	78%	0.777	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-63.9	145.3	179.9	0	0	0	0	0	112.2
19	P	42.1	Very low	39.9	Very low	126 Å²	126	144.3 Å²	144.3	82%	0.818	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-78.3	133.4	179.3	31.6	-33.5	0	0	0	111.6
20	T	42.1	Very low	40.5	Very low	126 Å²	126	143.7 Å²	143.7	77%	0.773	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-75.8	141.6	166.4	26.4	0	0	0	0	110.8	S22	T20-S22 PolarHBondContact O-N 3.28Å
21	P	39.6	Very low	41.1	Very low	103 Å²	103	136.5 Å²	136.5	67%	0.669	70%	0.698	S	S	*	*			trans	-78.6	90.8	179.3	31.4	-34	0	0	0	111.2
22	S	42.4	Very low	41.3	Very low	73 Å²	73	132.9 Å²	132.9	51%	0.51	69%	0.689	S	S	.	*			trans	-79.1	126.1	174	55.2	0	0	0	0	112	T20 V24	T20-S22 PolarHBondContact O-N 3.28Å; S22-V24 VanDerWaalsContact C-N 3.35Å; S22-V24 PolarHBondContact O-N 3.16Å
23	H	44.2	Very low	41.8	Very low	106 Å²	106	128.3 Å²	128.3	49%	0.491	68%	0.681	S	S	.	*	S	Bend	trans	-76.7	81.5	172.4	176	-97.7	0	0	0	111.4	R416	H23-R416 HydrophobicContact CB-CB 4.08Å; H23-R416 VanDerWaalsContact CD2-CB 3.42Å; H23-R416 WeakPolarHBondContact CD2-CB 3.45Å
24	V	47.9	Very low	42.7	Very low	52 Å²	52	124.1 Å²	124.1	32%	0.315	67%	0.67	S	S	.	*			trans	-161.7	76.2	151.6	-101.9	0	0	0	0	108.8	S22 E26 Y73	S22-V24 VanDerWaalsContact C-N 3.35Å; S22-V24 PolarHBondContact O-N 3.16Å; V24-E26 PolarHBondContact O-N 3.06Å; V24-Y73 HydrophobicContact CG2-CE2 4.21Å
25	E	37.7	Very low	43.7	Very low	198 Å²	198	121.6 Å²	121.6	93%	0.925	67%	0.666	S	S	*	*	S	Bend	trans	-81.1	24.1	162.4	-78.7	-166.3	146.5	0	0	112.7
26	E	37.5	Very low	45.1	Very low	156 Å²	156	118.9 Å²	118.9	73%	0.729	65%	0.65	S	S	*	*	S	Bend	trans	-130.4	123.4	142.3	-78.8	-148.9	141.5	0	0	109.2	V24 I28	V24-E26 PolarHBondContact O-N 3.06Å; E26-I28 PolarHBondContact O-N 2.86Å
27	P	36.6	Very low	46.8	Very low	61 Å²	61	118.6 Å²	118.6	40%	0.396	64%	0.636	S	S	.	*			trans	-71.2	101.5	169.1	29.8	-31.3	0	0	0	107.8	Y29	P27-Y29 HydrophobicContact CG-CD2 4.45Å; P27-Y29 HydrophobicContact CG-CE2 3.99Å; P27-Y29 WeakPolarHBondContact O-CA 3.17Å; P27-Y29 WeakPolarHBondContact O-CD2 2.98Å; P27-Y29 PolarHBondContact O-N 3.02Å
28	I	42.1	Very low	48.1	Very low	105 Å²	105	123.8 Å²	123.8	54%	0.538	65%	0.645	S	S	.	*			trans	-48.2	107.5	167.8	-69.7	176	0	0	0	107.7	E26 V30	E26-I28 PolarHBondContact O-N 2.86Å; I28-V30 HydrophobicContact CG2-CB 4.15Å; I28-V30 HydrophobicContact CG2-CG2 3.5Å; I28-V30 VanDerWaalsContact CG2-CG2 3.5Å; I28-V30 PolarHBondContact O-N 2.82Å
29	Y	37.4	Very low	49.9	Very low	168 Å²	168	121.2 Å²	121.2	66%	0.659	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-71.9	16.3	-160.4	-94.3	-87.6	0	0	0	114.8	P27 N31 K32	P27-Y29 HydrophobicContact CG-CD2 4.45Å; P27-Y29 HydrophobicContact CG-CE2 3.99Å; P27-Y29 WeakPolarHBondContact O-CA 3.17Å; P27-Y29 WeakPolarHBondContact O-CD2 2.98Å; P27-Y29 PolarHBondContact O-N 3.02Å; Y29-N31 VanDerWaalsContact C-N 3.28Å; Y29-N31 PolarHBondContact O-N 2.86Å; Y29-K32 HydrophobicContact CD1-CB 4.41Å; Y29-K32 HydrophobicContact CD1-CD 4.33Å; Y29-K32 HydrophobicContact CE1-CD 4.22Å
30	V	47.8	Very low	52.1	Low	92 Å²	92	117 Å²	117	56%	0.558	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-70.2	-16.5	-165	172.6	0	0	0	0	114	I28	I28-V30 HydrophobicContact CG2-CB 4.15Å; I28-V30 HydrophobicContact CG2-CG2 3.5Å; I28-V30 VanDerWaalsContact CG2-CG2 3.5Å; I28-V30 PolarHBondContact O-N 2.82Å
31	N	52	Low	54.4	Low	61 Å²	61	111.6 Å²	111.6	33%	0.326	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-123.9	-2.4	178.8	-81.8	-39.7	0	0	0	116.8	Y29 S33	Y29-N31 VanDerWaalsContact C-N 3.28Å; Y29-N31 PolarHBondContact O-N 2.86Å; N31-S33 VanDerWaalsContact C-N 3.31Å; N31-S33 PolarHBondContact O-N 3.5Å
32	K	44.7	Very low	57	Low	153 Å²	153	109.1 Å²	109.1	67%	0.665	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-13	179.2	-79.9	-177.3	178.1	174.6	0	114.5	Y29	Y29-K32 HydrophobicContact CD1-CB 4.41Å; Y29-K32 HydrophobicContact CD1-CD 4.33Å; Y29-K32 HydrophobicContact CE1-CD 4.22Å
33	S	48.9	Very low	59.5	Low	105 Å²	105	105.6 Å²	105.6	73%	0.734	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-4.7	-176.7	51.4	0	0	0	0	115.2	N31	N31-S33 VanDerWaalsContact C-N 3.31Å; N31-S33 PolarHBondContact O-N 3.5Å
34	K	57.1	Low	61.9	Low	151 Å²	151	103.4 Å²	103.4	66%	0.657	50%	0.502	S	S	*	.	S	Bend	trans	-95.7	119.7	172	-76.4	172.1	-175.9	156.4	0	109.9	I36	K34-I36 PolarHBondContact O-N 3.12Å
35	K	59.4	Low	64.3	Low	197 Å²	197	100.9 Å²	100.9	86%	0.857	49%	0.487	S	S	*	.			trans	-56.7	107.1	167.5	-71.9	-175.3	178.1	-179.6	0	108.8	K37	K35-K37 PolarHBondContact O-N 2.89Å; K35-K37 VanDerWaalsContact O-N 3.12Å
36	I	68.9	Low	67.2	Low	109 Å²	109	93 Å²	93	56%	0.559	46%	0.455	S	S	*	.			trans	-55.1	116.8	175.9	-59.2	171.1	0	0	0	107.5	K34 Y56	K34-I36 PolarHBondContact O-N 3.12Å; I36-Y56 HydrophobicContact CD1-CD2 3.96Å; I36-Y56 HydrophobicContact CD1-CE2 4.08Å; I36-Y56 HydrophobicContact CD1-CG 4.46Å; I36-Y56 HydrophobicContact CG1-CD2 4.42Å; I36-Y56 HydrophobicContact CG2-CD1 3.94Å; I36-Y56 HydrophobicContact CG2-CE1 4.36Å; I36-Y56 HydrophobicContact CG2-CG 4.04Å
37	K	73.2	Confident	70	Confident	140 Å²	140	86.2 Å²	86.2	61%	0.609	42%	0.423	S	S	*	.			trans	-85.7	144.3	177.7	-58.6	-177.9	-174.4	-175.8	0	107.9	K35 S39 D40	K35-K37 PolarHBondContact O-N 2.89Å; K35-K37 VanDerWaalsContact O-N 3.12Å; K37-S39 WeakPolarHBondContact CB-OG 3Å; K37-S39 PolarHBondContact O-N 3.15Å; K37-D40 WeakPolarHBondContact CB-OD2 3.46Å; K37-D40 PolarHBondContact N-OD2 2.78Å; K37-D40 PolarHBondContact O-N 2.85Å
38	K	69.5	Low	72.9	Confident	224 Å²	224	84.7 Å²	84.7	97%	0.974	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-8.3	169.3	-167.7	174	-179.6	178.2	0	113.2
39	S	77.9	Confident	75.3	Confident	40 Å²	40	81.6 Å²	81.6	28%	0.28	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-25	170.9	54.1	0	0	0	0	114.9	K37 K59	K37-S39 WeakPolarHBondContact CB-OG 3Å; K37-S39 PolarHBondContact O-N 3.15Å; S39-K59 WeakPolarHBondContact O-CE 3.42Å; S39-K59 WeakPolarHBondContact O-CG 3.44Å
40	D	87.4	Confident	77.9	Confident	37 Å²	37	77 Å²	77	20%	0.198	40%	0.399	C	S	.	.	S	Bend	trans	-72.1	147.8	-162.7	-58.6	-22.1	0	0	0	111	K37 V57	K37-D40 WeakPolarHBondContact CB-OD2 3.46Å; K37-D40 PolarHBondContact N-OD2 2.78Å; K37-D40 PolarHBondContact O-N 2.85Å; D40-V57 CarbonylContact C-O 3.58Å; D40-V57 WeakPolarHBondContact CA-O 3.32Å
41	I	90.3	Very high	80.1	Confident	12 Å²	12	74.1 Å²	74.1	6%	0.062	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	125	-179.9	-52.6	173.6	0	0	0	106.8	Y56 V57 I101 K102 I111	I41-Y56 WeakPolarHBondContact O-CA 3.31Å; I41-V57 HydrophobicContact CB-CG2 3.97Å; I41-V57 PolarHBondContact N-O 2.74Å; I41-V57 PolarHBondContact O-N 2.66Å; I41-I101 HydrophobicContact CD1-CB 4.49Å; I41-K102 HydrophobicContact CD1-CB 4.04Å; I41-I111 HydrophobicContact CG2-CD1 3.75Å; I41-I111 HydrophobicContact CG2-CG1 4.2Å
42	E	93.4	Very high	82.2	Confident	51 Å²	51	76.3 Å²	76.3	24%	0.238	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.4	171.5	-177.2	-174.6	171.4	0	0	108	K44 T54 Y56 T109 S110 I111	E42-K44 WeakPolarHBondContact OE1-CE 3.18Å; E42-K44 IonicContact OE1-NZ 2.72Å; E42-K44 PolarHBondContact OE1-NZ 2.88Å; E42-T54 HydrophobicContact CG-CG2 3.59Å; E42-Y56 HydrophobicContact CB-CD1 4.36Å; E42-Y56 HydrophobicContact CB-CE1 4.01Å; E42-Y56 HydrophobicContact CG-CE1 4.07Å; E42-T109 PolarHBondContact N-O 2.94Å; E42-S110 CarbonylContact O-C 3.56Å; E42-S110 WeakPolarHBondContact O-CA 3.38Å; E42-I111 PolarHBondContact O-N 3.09Å
43	C	95.3	Very high	84.7	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	104.7	-179	-67.3	0	0	0	0	108.7	F55 L66 I111 F113	C43-F55 PolarHBondContact N-O 2.95Å; C43-F55 PolarHBondContact O-N 3.41Å; C43-L66 HydrophobicContact CB-CD1 3.83Å; C43-L66 HydrophobicContact CB-CD2 3.97Å; C43-I111 WeakPolarHBondContact CA-O 3.33Å; C43-F113 HydrophobicContact CB-CD2 4.21Å; C43-F113 HydrophobicContact CB-CE2 3.93Å
44	K	96	Very high	87	Confident	59 Å²	59	68.9 Å²	68.9	26%	0.257	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.1	174.5	-54	-164.8	177.1	-164.2	0	108.4	E42 E52 T54 I111 S112 F113	E42-K44 WeakPolarHBondContact OE1-CE 3.18Å; E42-K44 IonicContact OE1-NZ 2.72Å; E42-K44 PolarHBondContact OE1-NZ 2.88Å; K44-E52 HydrophobicContact CB-CG 4.36Å; K44-T54 HydrophobicContact CG-CG2 4.32Å; K44-I111 PolarHBondContact N-O 2.83Å; K44-S112 CarbonylContact O-C 3.58Å; K44-S112 WeakPolarHBondContact O-CA 3.4Å; K44-F113 PolarHBondContact O-N 3.34Å
45	V	97.8	Very high	88.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	112.2	179	-177.7	0	0	0	0	107.7	Y47 E52 Q53 F55 L66 A70 L85 F113	V45-Y47 HydrophobicContact CB-CE2 4.04Å; V45-Y47 HydrophobicContact CG1-CD1 4.41Å; V45-Y47 HydrophobicContact CG1-CD2 4.35Å; V45-Y47 HydrophobicContact CG1-CE1 3.93Å; V45-Y47 HydrophobicContact CG1-CE2 3.84Å; V45-Y47 WeakPolarHBondContact O-CD2 3.22Å; V45-Y47 WeakPolarHBondContact O-CE2 3.47Å; V45-E52 WeakPolarHBondContact O-CA 3.48Å; V45-Q53 PolarHBondContact N-O 2.71Å; V45-Q53 PolarHBondContact O-N 3.41Å; V45-F55 HydrophobicContact CB-CD2 4.43Å; V45-F55 HydrophobicContact CB-CE2 4.11Å; V45-F55 HydrophobicContact CG2-CD2 3.83Å; V45-F55 HydrophobicContact CG2-CE2 3.9Å; V45-L66 HydrophobicContact CG2-CD1 4.25Å; V45-A70 HydrophobicContact CG1-CB 4.4Å; V45-A70 HydrophobicContact CG2-CB 4.26Å; V45-L85 HydrophobicContact CG1-CD2 3.81Å; V45-F113 WeakPolarHBondContact CA-O 3.48Å; V45-F113 HydrophobicContact CG2-CB 4.32Å
46	A	97.7	Very high	90.5	Very high	31 Å²	31	57.8 Å²	57.8	26%	0.256	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.1	167.3	0	0	0	0	0	109.6	T51 F113 S114 L115	A46-T51 CarbonylContact C-O 3.58Å; A46-T51 WeakPolarHBondContact CA-O 2.84Å; A46-F113 PolarHBondContact N-O 2.92Å; A46-S114 CarbonylContact O-C 3.55Å; A46-S114 WeakPolarHBondContact O-CA 3.37Å; A46-L115 PolarHBondContact O-N 2.86Å
47	Y	97.4	Very high	91.6	Very high	14 Å²	14	53.1 Å²	53.1	6%	0.055	28%	0.275	C	S	.	.			trans	-105.3	166.5	-177.2	-67.9	-84.7	0	0	0	111.9	V45 D49 G50 T51 Q53 F55 A70 Y73 V74 L115	V45-Y47 HydrophobicContact CB-CE2 4.04Å; V45-Y47 HydrophobicContact CG1-CD1 4.41Å; V45-Y47 HydrophobicContact CG1-CD2 4.35Å; V45-Y47 HydrophobicContact CG1-CE1 3.93Å; V45-Y47 HydrophobicContact CG1-CE2 3.84Å; V45-Y47 WeakPolarHBondContact O-CD2 3.22Å; V45-Y47 WeakPolarHBondContact O-CE2 3.47Å; Y47-D49 VanDerWaalsContact CB-OD1 3.25Å; Y47-D49 WeakPolarHBondContact CB-OD1 3.36Å; Y47-D49 PolarHBondContact O-N 3.09Å; Y47-G50 PolarHBondContact O-N 2.84Å; Y47-G50 VanDerWaalsContact O-N 3.08Å; Y47-T51 PolarHBondContact N-O 3.16Å; Y47-Q53 HydrophobicContact CE2-CB 3.87Å; Y47-F55 WeakPolarHBondContact OH-CE2 3.05Å; Y47-F55 WeakPolarHBondContact OH-CZ 3.27Å; Y47-A70 WeakPolarHBondContact CE1-O 3.32Å; Y47-A70 WeakPolarHBondContact OH-CA 3.49Å; Y47-A70 PolarHBondContact OH-O 2.79Å; Y47-Y73 HydrophobicContact CD2-CD1 4.45Å; Y47-Y73 HydrophobicContact CD2-CE1 4.35Å; Y47-Y73 HydrophobicContact CE1-CD1 4.42Å; Y47-Y73 AromaticContact CE2-CD1 3.64Å; Y47-Y73 HydrophobicContact CE2-CD1 3.64Å; Y47-Y73 AromaticContact CE2-CE1 3.85Å; Y47-Y73 HydrophobicContact CE2-CE1 3.85Å; Y47-Y73 AromaticContact CZ-CD1 3.6Å; Y47-Y73 WeakPolarHBondContact OH-CD1 3.22Å; Y47-V74 HydrophobicContact CD1-CB 4.42Å; Y47-V74 HydrophobicContact CD1-CG1 3.38Å; Y47-V74 HydrophobicContact CD1-CG2 4.21Å; Y47-V74 HydrophobicContact CD2-CG1 4.47Å; Y47-V74 HydrophobicContact CE1-CB 4.3Å; Y47-V74 HydrophobicContact CE1-CG1 3.41Å; Y47-V74 VanDerWaalsContact CE1-CG1 3.41Å; Y47-V74 HydrophobicContact CE1-CG2 3.89Å; Y47-V74 HydrophobicContact CG-CG1 3.94Å; Y47-L115 HydrophobicContact CD1-CB 4.02Å; Y47-L115 HydrophobicContact CD1-CD2 3.71Å; Y47-L115 HydrophobicContact CD1-CG 4.49Å; Y47-L115 HydrophobicContact CE1-CD2 4.23Å
48	L	96.1	Very high	92.5	Very high	30 Å²	30	49 Å²	49	16%	0.157	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-21	-176.1	-68	170.3	0	0	0	113.1	G50 F83 L115 L135 L138 Q139	L48-G50 VanDerWaalsContact C-N 3.27Å; L48-F83 HydrophobicContact CD1-CD1 4.28Å; L48-F83 HydrophobicContact CD1-CE1 4Å; L48-L115 WeakPolarHBondContact CD2-O 3.16Å; L48-L135 HydrophobicContact CB-CD2 4.2Å; L48-L135 HydrophobicContact CD1-CB 4.1Å; L48-L135 HydrophobicContact CD1-CD2 4.33Å; L48-L138 HydrophobicContact CB-CB 4.19Å; L48-L138 HydrophobicContact CB-CD1 4.25Å; L48-Q139 HydrophobicContact CD1-CB 4.41Å; L48-Q139 HydrophobicContact CD2-CB 3.9Å; L48-Q139 HydrophobicContact CD2-CG 4.37Å
49	D	92.3	Very high	93.4	Very high	39 Å²	39	43.7 Å²	43.7	21%	0.209	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0	173.3	69.7	-10.4	0	0	0	113.7	Y47 T51 L138 V418	Y47-D49 VanDerWaalsContact CB-OD1 3.25Å; Y47-D49 WeakPolarHBondContact CB-OD1 3.36Å; Y47-D49 PolarHBondContact O-N 3.09Å; D49-T51 WeakPolarHBondContact OD1-CB 3.43Å; D49-T51 WeakPolarHBondContact OD1-CG2 3.36Å; D49-T51 PolarHBondContact OD1-N 3.06Å; D49-T51 PolarHBondContact OD1-OG1 3.31Å; D49-T51 WeakPolarHBondContact OD2-CG2 3.4Å; D49-T51 PolarHBondContact OD2-OG1 3.09Å; D49-L138 HydrophobicContact CB-CD1 4.16Å; D49-V418 HydrophobicContact CB-CB 4.03Å; D49-V418 HydrophobicContact CB-CG1 4.47Å; D49-V418 HydrophobicContact CB-CG2 3.76Å
50	G	92.6	Very high	94	Very high	71 Å²	71	45 Å²	45	73%	0.732	25%	0.251	S	S	*	.	S	Bend	trans	83.6	2.1	-177.6	0	0	0	0	0	115.1	Y47 L48	Y47-G50 PolarHBondContact O-N 2.84Å; Y47-G50 VanDerWaalsContact O-N 3.08Å; L48-G50 VanDerWaalsContact C-N 3.27Å
51	T	94	Very high	94.3	Very high	32 Å²	32	43.9 Å²	43.9	20%	0.196	25%	0.246	C	C	.	.			trans	-73.9	154	171.5	65.2	0	0	0	0	111.4	A46 Y47 D49	A46-T51 CarbonylContact C-O 3.58Å; A46-T51 WeakPolarHBondContact CA-O 2.84Å; Y47-T51 PolarHBondContact N-O 3.16Å; D49-T51 WeakPolarHBondContact OD1-CB 3.43Å; D49-T51 WeakPolarHBondContact OD1-CG2 3.36Å; D49-T51 PolarHBondContact OD1-N 3.06Å; D49-T51 PolarHBondContact OD1-OG1 3.31Å; D49-T51 WeakPolarHBondContact OD2-CG2 3.4Å; D49-T51 PolarHBondContact OD2-OG1 3.09Å
52	E	96.6	Very high	94.5	Very high	108 Å²	108	47.6 Å²	47.6	51%	0.505	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.5	171.2	-174.7	-178.4	87.7	0	0	109.7	K44 V45	K44-E52 HydrophobicContact CB-CG 4.36Å; V45-E52 WeakPolarHBondContact O-CA 3.48Å
53	Q	97.1	Very high	94.6	Very high	64 Å²	64	45.2 Å²	45.2	30%	0.299	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.7	172.2	-176	52.9	53.1	0	0	110.7	V45 Y47 F55 Y73	V45-Q53 PolarHBondContact N-O 2.71Å; V45-Q53 PolarHBondContact O-N 3.41Å; Y47-Q53 HydrophobicContact CE2-CB 3.87Å; Q53-F55 HydrophobicContact CB-CE2 3.87Å; Q53-F55 HydrophobicContact CB-CZ 3.92Å; Q53-F55 HydrophobicContact CG-CD1 4.38Å; Q53-F55 HydrophobicContact CG-CD2 4.33Å; Q53-F55 HydrophobicContact CG-CE1 3.78Å; Q53-F55 HydrophobicContact CG-CE2 3.72Å; Q53-F55 HydrophobicContact CG-CZ 3.4Å; Q53-F55 VanDerWaalsContact CG-CZ 3.4Å; Q53-Y73 HydrophobicContact CB-CD1 4.09Å; Q53-Y73 HydrophobicContact CB-CE1 3.79Å; Q53-Y73 HydrophobicContact CB-CE2 4.23Å; Q53-Y73 HydrophobicContact CB-CG 4.46Å; Q53-Y73 HydrophobicContact CG-CD1 4.39Å; Q53-Y73 HydrophobicContact CG-CD2 3.98Å; Q53-Y73 HydrophobicContact CG-CE1 4.27Å; Q53-Y73 HydrophobicContact CG-CE2 3.82Å; Q53-Y73 HydrophobicContact CG-CG 4.27Å
54	T	96.8	Very high	94.6	Very high	38 Å²	38	47.2 Å²	47.2	23%	0.233	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.1	172.7	-59	0	0	0	0	110.5	E42 K44 Y56	E42-T54 HydrophobicContact CG-CG2 3.59Å; K44-T54 HydrophobicContact CG-CG2 4.32Å; T54-Y56 HydrophobicContact CG2-CE2 4.17Å
55	F	95.4	Very high	94.6	Very high	13 Å²	13	46.3 Å²	46.3	6%	0.057	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.7	174.6	-58	-81	0	0	0	110.8	C43 V45 Y47 Q53 L66 I69 A70 Y73	C43-F55 PolarHBondContact N-O 2.95Å; C43-F55 PolarHBondContact O-N 3.41Å; V45-F55 HydrophobicContact CB-CD2 4.43Å; V45-F55 HydrophobicContact CB-CE2 4.11Å; V45-F55 HydrophobicContact CG2-CD2 3.83Å; V45-F55 HydrophobicContact CG2-CE2 3.9Å; Y47-F55 WeakPolarHBondContact OH-CE2 3.05Å; Y47-F55 WeakPolarHBondContact OH-CZ 3.27Å; Q53-F55 HydrophobicContact CB-CE2 3.87Å; Q53-F55 HydrophobicContact CB-CZ 3.92Å; Q53-F55 HydrophobicContact CG-CD1 4.38Å; Q53-F55 HydrophobicContact CG-CD2 4.33Å; Q53-F55 HydrophobicContact CG-CE1 3.78Å; Q53-F55 HydrophobicContact CG-CE2 3.72Å; Q53-F55 HydrophobicContact CG-CZ 3.4Å; Q53-F55 VanDerWaalsContact CG-CZ 3.4Å; F55-L66 HydrophobicContact CB-CD1 4.27Å; F55-L66 HydrophobicContact CD2-CD1 4.2Å; F55-L66 HydrophobicContact CG-CD1 4.47Å; F55-I69 HydrophobicContact CB-CD1 3.75Å; F55-I69 HydrophobicContact CD1-CB 4.37Å; F55-I69 HydrophobicContact CD1-CD1 3.8Å; F55-I69 HydrophobicContact CD1-CG1 3.95Å; F55-I69 HydrophobicContact CE1-CB 4.41Å; F55-I69 HydrophobicContact CE1-CG1 4.31Å; F55-I69 HydrophobicContact CG-CD1 3.85Å; F55-I69 HydrophobicContact CG-CG1 4.15Å; F55-A70 HydrophobicContact CE2-CB 4.18Å; F55-Y73 HydrophobicContact CZ-CD2 4.46Å; F55-Y73 HydrophobicContact CZ-CG 4.02Å
56	Y	94.2	Very high	94.5	Very high	102 Å²	102	46.3 Å²	46.3	40%	0.4	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.3	173.7	-66	-85.7	0	0	0	109.6	I36 I41 E42 T54	I36-Y56 HydrophobicContact CD1-CD2 3.96Å; I36-Y56 HydrophobicContact CD1-CE2 4.08Å; I36-Y56 HydrophobicContact CD1-CG 4.46Å; I36-Y56 HydrophobicContact CG1-CD2 4.42Å; I36-Y56 HydrophobicContact CG2-CD1 3.94Å; I36-Y56 HydrophobicContact CG2-CE1 4.36Å; I36-Y56 HydrophobicContact CG2-CG 4.04Å; I41-Y56 WeakPolarHBondContact O-CA 3.31Å; E42-Y56 HydrophobicContact CB-CD1 4.36Å; E42-Y56 HydrophobicContact CB-CE1 4.01Å; E42-Y56 HydrophobicContact CG-CE1 4.07Å; T54-Y56 HydrophobicContact CG2-CE2 4.17Å
57	V	92.8	Very high	94.4	Very high	10 Å²	10	46 Å²	46	6%	0.061	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.8	-177.3	-60.5	0	0	0	0	111.3	D40 I41 A61 L66 I69 I101	D40-V57 CarbonylContact C-O 3.58Å; D40-V57 WeakPolarHBondContact CA-O 3.32Å; I41-V57 HydrophobicContact CB-CG2 3.97Å; I41-V57 PolarHBondContact N-O 2.74Å; I41-V57 PolarHBondContact O-N 2.66Å; V57-A61 HydrophobicContact CB-CB 4.02Å; V57-A61 HydrophobicContact CG2-CB 4.31Å; V57-L66 HydrophobicContact CG1-CD1 4.4Å; V57-I69 HydrophobicContact CG1-CD1 3.73Å; V57-I101 HydrophobicContact CG2-CD1 3.83Å
58	S	92.1	Very high	94.3	Very high	55 Å²	55	49.8 Å²	49.8	39%	0.385	28%	0.283	S	S	.	.			trans	-54.6	147.1	178.9	172.3	0	0	0	0	112.2	S60 A61	S58-S60 PolarHBondContact O-N 2.96Å; S58-S60 PolarHBondContact OG-N 3.31Å; S58-S60 VanDerWaalsContact OG-N 3.15Å; S58-S60 PolarHBondContact OG-OG 3.22Å; S58-A61 WeakPolarHBondContact O-CB 3.41Å; S58-A61 PolarHBondContact O-N 3.02Å
59	K	87.8	Confident	94.3	Very high	112 Å²	112	50 Å²	50	49%	0.487	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-23.9	169	-67.7	-174.7	170.5	165.8	0	113.8	S39	S39-K59 WeakPolarHBondContact O-CE 3.42Å; S39-K59 WeakPolarHBondContact O-CG 3.44Å
60	S	90.6	Very high	94.5	Very high	68 Å²	68	48.2 Å²	48.2	48%	0.476	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-7.9	179.6	65.9	0	0	0	0	114.6	S58 K100	S58-S60 PolarHBondContact O-N 2.96Å; S58-S60 PolarHBondContact OG-N 3.31Å; S58-S60 VanDerWaalsContact OG-N 3.15Å; S58-S60 PolarHBondContact OG-OG 3.22Å; S60-K100 WeakPolarHBondContact O-CE 3.24Å
61	A	93.4	Very high	94.7	Very high	13 Å²	13	45.4 Å²	45.4	11%	0.107	24%	0.242	C	C	.	.			trans	-63.9	136.5	-172.3	0	0	0	0	0	112.6	V57 S58 A65 K100 I101	V57-A61 HydrophobicContact CB-CB 4.02Å; V57-A61 HydrophobicContact CG2-CB 4.31Å; S58-A61 WeakPolarHBondContact O-CB 3.41Å; S58-A61 PolarHBondContact O-N 3.02Å; A61-A65 HydrophobicContact CB-CB 4.32Å; A61-K100 CarbonylContact O-C 3.55Å; A61-K100 VanDerWaalsContact O-CA 3.22Å; A61-K100 WeakPolarHBondContact O-CA 3.4Å; A61-I101 HydrophobicContact CB-CD1 4.34Å; A61-I101 PolarHBondContact O-N 2.83Å
62	E	95.2	Very high	94.7	Very high	90 Å²	90	46.4 Å²	46.4	42%	0.421	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-81.7	160.2	169	-66.6	179.6	177.9	0	0	110.1	S64 A65 K100	E62-S64 PolarHBondContact O-N 2.95Å; E62-A65 PolarHBondContact O-N 2.75Å; E62-A65 VanDerWaalsContact O-N 3.11Å; E62-K100 HydrophobicContact CG-CG 4.07Å
63	G	95	Very high	94.5	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.4	-34.8	-178.7	0	0	0	0	0	112.3	A65 L66 Y67 P97 K99	G63-A65 VanDerWaalsContact C-N 3.28Å; G63-A65 PolarHBondContact O-N 3.05Å; G63-L66 PolarHBondContact O-N 3.44Å; G63-Y67 VanDerWaalsContact O-CD2 3.24Å; G63-Y67 WeakPolarHBondContact O-CD2 3.3Å; G63-Y67 PolarHBondContact O-N 3.25Å; G63-P97 PolarHBondContact N-O 2.98Å; G63-K99 PolarHBondContact N-O 3.24Å
64	S	95.1	Very high	94.3	Very high	42 Å²	42	41.8 Å²	41.8	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-48	-46.2	172.8	48.1	0	0	0	0	113.1	E62 L66 Y67 D68 P97	E62-S64 PolarHBondContact O-N 2.95Å; S64-L66 PolarHBondContact O-N 2.88Å; S64-Y67 WeakPolarHBondContact O-CB 3.35Å; S64-Y67 PolarHBondContact O-N 2.93Å; S64-Y67 VanDerWaalsContact O-N 3.1Å; S64-D68 VanDerWaalsContact O-CG 3.25Å; S64-D68 PolarHBondContact O-N 2.99Å; S64-P97 PolarHBondContact N-O 3.3Å; S64-P97 PolarHBondContact OG-O 3.45Å
65	A	95.7	Very high	94.1	Very high	40 Å²	40	42.7 Å²	42.7	33%	0.331	24%	0.242	S	C	.	.	H	α-helix	trans	-66.6	-22.7	-179.5	0	0	0	0	0	113.8	A61 E62 G63 I69	A61-A65 HydrophobicContact CB-CB 4.32Å; E62-A65 PolarHBondContact O-N 2.75Å; E62-A65 VanDerWaalsContact O-N 3.11Å; G63-A65 VanDerWaalsContact C-N 3.28Å; G63-A65 PolarHBondContact O-N 3.05Å; A65-I69 WeakPolarHBondContact O-CG1 3.37Å
66	L	96.5	Very high	94	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-84.1	-39.9	170.2	-179.7	61.5	0	0	0	111.2	C43 V45 F55 V57 G63 S64 D68 I69 A70 L85 L95 I101 F113	C43-L66 HydrophobicContact CB-CD1 3.83Å; C43-L66 HydrophobicContact CB-CD2 3.97Å; V45-L66 HydrophobicContact CG2-CD1 4.25Å; F55-L66 HydrophobicContact CB-CD1 4.27Å; F55-L66 HydrophobicContact CD2-CD1 4.2Å; F55-L66 HydrophobicContact CG-CD1 4.47Å; V57-L66 HydrophobicContact CG1-CD1 4.4Å; G63-L66 PolarHBondContact O-N 3.44Å; S64-L66 PolarHBondContact O-N 2.88Å; L66-D68 PolarHBondContact O-N 2.76Å; L66-I69 HydrophobicContact CD1-CD1 4.17Å; L66-I69 HydrophobicContact CD1-CG1 4.24Å; L66-I69 WeakPolarHBondContact O-CG1 3.31Å; L66-A70 WeakPolarHBondContact O-CB 3.27Å; L66-A70 PolarHBondContact O-N 3.27Å; L66-L85 HydrophobicContact CD2-CD1 4.13Å; L66-L85 HydrophobicContact CG-CD1 3.87Å; L66-L95 HydrophobicContact CB-CD2 4.44Å; L66-L95 HydrophobicContact CD2-CD2 4Å; L66-I101 HydrophobicContact CB-CD1 3.78Å; L66-I101 HydrophobicContact CD2-CD1 4.25Å; L66-F113 HydrophobicContact CD2-CD1 4.46Å; L66-F113 HydrophobicContact CD2-CD2 3.78Å; L66-F113 HydrophobicContact CD2-CE1 4.26Å; L66-F113 HydrophobicContact CD2-CE2 3.52Å; L66-F113 HydrophobicContact CD2-CG 4.24Å; L66-F113 HydrophobicContact CD2-CZ 3.79Å
67	Y	96.7	Very high	93.6	Very high	24 Å²	24	42 Å²	42	9%	0.094	25%	0.25	C	C	.	.	H	α-helix	trans	-55.3	-50.7	172.6	-82.5	-72.9	0	0	0	111.6	G63 S64 I69 A70 F71 L85 L95 P97	G63-Y67 VanDerWaalsContact O-CD2 3.24Å; G63-Y67 WeakPolarHBondContact O-CD2 3.3Å; G63-Y67 PolarHBondContact O-N 3.25Å; S64-Y67 WeakPolarHBondContact O-CB 3.35Å; S64-Y67 PolarHBondContact O-N 2.93Å; S64-Y67 VanDerWaalsContact O-N 3.1Å; Y67-I69 PolarHBondContact O-N 2.93Å; Y67-A70 PolarHBondContact O-N 3.17Å; Y67-F71 HydrophobicContact CD1-CD1 4.38Å; Y67-F71 AromaticContact CD1-CE1 3.61Å; Y67-F71 HydrophobicContact CD1-CE1 3.61Å; Y67-F71 HydrophobicContact CD1-CE2 4.1Å; Y67-F71 AromaticContact CD1-CZ 3.47Å; Y67-F71 HydrophobicContact CD1-CZ 3.47Å; Y67-F71 VanDerWaalsContact CD1-CZ 3.47Å; Y67-F71 HydrophobicContact CE1-CE1 4.12Å; Y67-F71 AromaticContact CE1-CZ 3.87Å; Y67-F71 HydrophobicContact CE1-CZ 3.87Å; Y67-F71 VanDerWaalsContact O-CB 3.28Å; Y67-F71 WeakPolarHBondContact O-CB 3.45Å; Y67-F71 WeakPolarHBondContact O-CG 3.33Å; Y67-F71 PolarHBondContact O-N 3.44Å; Y67-L85 HydrophobicContact CD1-CD1 3.84Å; Y67-L85 HydrophobicContact CD1-CG 3.87Å; Y67-L85 HydrophobicContact CE1-CB 3.84Å; Y67-L85 HydrophobicContact CE1-CD1 4Å; Y67-L85 HydrophobicContact CE1-CG 3.63Å; Y67-L85 VanDerWaalsContact CE1-N 3.33Å; Y67-L85 HydrophobicContact CG-CD1 4.13Å; Y67-L85 PolarHBondContact OH-N 2.8Å; Y67-L85 VanDerWaalsContact OH-N 3.11Å; Y67-L95 HydrophobicContact CD2-CD2 4.21Å; Y67-L95 HydrophobicContact CE2-CB 4.11Å; Y67-L95 HydrophobicContact CE2-CD2 3.86Å; Y67-L95 HydrophobicContact CE2-CG 3.96Å; Y67-L95 WeakPolarHBondContact CE2-O 3.34Å; Y67-L95 PolarHBondContact OH-O 3.14Å; Y67-P97 HydrophobicContact CD2-CB 3.82Å; Y67-P97 HydrophobicContact CE2-CB 3.89Å; Y67-P97 HydrophobicContact CE2-CG 4.44Å
68	D	94.9	Very high	93.4	Very high	95 Å²	95	46.5 Å²	46.5	51%	0.508	27%	0.27	S	S	.	.	H	α-helix	trans	-57.8	-47.1	-177.1	-66.4	-31.4	0	0	0	112.1	S64 L66 A72	S64-D68 VanDerWaalsContact O-CG 3.25Å; S64-D68 PolarHBondContact O-N 2.99Å; L66-D68 PolarHBondContact O-N 2.76Å; D68-A72 WeakPolarHBondContact O-CB 3.48Å; D68-A72 PolarHBondContact O-N 2.66Å; D68-A72 VanDerWaalsContact O-N 3.11Å
69	I	95.9	Very high	93.3	Very high	35 Å²	35	44.5 Å²	44.5	18%	0.179	26%	0.255	C	S	.	.	H	α-helix	trans	-76.2	-34.6	179.8	66.6	-174.7	0	0	0	112.9	F55 V57 A65 L66 Y67 Y73	F55-I69 HydrophobicContact CB-CD1 3.75Å; F55-I69 HydrophobicContact CD1-CB 4.37Å; F55-I69 HydrophobicContact CD1-CD1 3.8Å; F55-I69 HydrophobicContact CD1-CG1 3.95Å; F55-I69 HydrophobicContact CE1-CB 4.41Å; F55-I69 HydrophobicContact CE1-CG1 4.31Å; F55-I69 HydrophobicContact CG-CD1 3.85Å; F55-I69 HydrophobicContact CG-CG1 4.15Å; V57-I69 HydrophobicContact CG1-CD1 3.73Å; A65-I69 WeakPolarHBondContact O-CG1 3.37Å; L66-I69 HydrophobicContact CD1-CD1 4.17Å; L66-I69 HydrophobicContact CD1-CG1 4.24Å; L66-I69 WeakPolarHBondContact O-CG1 3.31Å; Y67-I69 PolarHBondContact O-N 2.93Å; I69-Y73 WeakPolarHBondContact O-CB 3.4Å; I69-Y73 PolarHBondContact O-N 2.68Å; I69-Y73 VanDerWaalsContact O-N 3.15Å
70	A	96.8	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-72	-37.4	-179.3	0	0	0	0	0	111.7	V45 Y47 F55 L66 Y67 L85	V45-A70 HydrophobicContact CG1-CB 4.4Å; V45-A70 HydrophobicContact CG2-CB 4.26Å; Y47-A70 WeakPolarHBondContact CE1-O 3.32Å; Y47-A70 WeakPolarHBondContact OH-CA 3.49Å; Y47-A70 PolarHBondContact OH-O 2.79Å; F55-A70 HydrophobicContact CE2-CB 4.18Å; L66-A70 WeakPolarHBondContact O-CB 3.27Å; L66-A70 PolarHBondContact O-N 3.27Å; Y67-A70 PolarHBondContact O-N 3.17Å; A70-L85 HydrophobicContact CB-CD1 4.26Å
71	F	95.9	Very high	93.7	Very high	12 Å²	12	41 Å²	41	5%	0.053	23%	0.232	C	C	.	.	H	α-helix	trans	-76.9	-39.1	177.6	-72.5	13.6	0	0	0	111.2	Y67 Y73 V74 A75 L76 K80 F83 L85 L115	Y67-F71 HydrophobicContact CD1-CD1 4.38Å; Y67-F71 AromaticContact CD1-CE1 3.61Å; Y67-F71 HydrophobicContact CD1-CE1 3.61Å; Y67-F71 HydrophobicContact CD1-CE2 4.1Å; Y67-F71 AromaticContact CD1-CZ 3.47Å; Y67-F71 HydrophobicContact CD1-CZ 3.47Å; Y67-F71 VanDerWaalsContact CD1-CZ 3.47Å; Y67-F71 HydrophobicContact CE1-CE1 4.12Å; Y67-F71 AromaticContact CE1-CZ 3.87Å; Y67-F71 HydrophobicContact CE1-CZ 3.87Å; Y67-F71 VanDerWaalsContact O-CB 3.28Å; Y67-F71 WeakPolarHBondContact O-CB 3.45Å; Y67-F71 WeakPolarHBondContact O-CG 3.33Å; Y67-F71 PolarHBondContact O-N 3.44Å; F71-Y73 VanDerWaalsContact C-N 3.27Å; F71-Y73 PolarHBondContact O-N 3.28Å; F71-V74 CarbonylContact O-C 3.45Å; F71-V74 WeakPolarHBondContact O-CG2 3.45Å; F71-V74 PolarHBondContact O-N 3.11Å; F71-A75 PolarHBondContact O-N 2.85Å; F71-L76 HydrophobicContact CB-CB 4.22Å; F71-L76 HydrophobicContact CD1-CD2 4.24Å; F71-L76 HydrophobicContact CD2-CD2 4.06Å; F71-L76 HydrophobicContact CD2-CG 4.3Å; F71-L76 HydrophobicContact CE1-CD2 4.31Å; F71-L76 HydrophobicContact CE2-CD2 4.14Å; F71-L76 HydrophobicContact CG-CB 4.46Å; F71-L76 HydrophobicContact CG-CD2 4.11Å; F71-L76 HydrophobicContact CG-CG 4.45Å; F71-L76 HydrophobicContact CZ-CD2 4.25Å; F71-L76 PolarHBondContact O-N 3.01Å; F71-K80 HydrophobicContact CD2-CB 3.73Å; F71-K80 HydrophobicContact CD2-CD 3.82Å; F71-K80 HydrophobicContact CD2-CG 4.28Å; F71-K80 HydrophobicContact CE2-CB 3.72Å; F71-K80 HydrophobicContact CE2-CD 4.19Å; F71-K80 HydrophobicContact CE2-CG 4.27Å; F71-F83 HydrophobicContact CZ-CB 4.07Å; F71-L85 HydrophobicContact CE1-CG 4.48Å; F71-L115 HydrophobicContact CD1-CD1 4.05Å; F71-L115 HydrophobicContact CE1-CD1 3.38Å; F71-L115 HydrophobicContact CZ-CD1 4.12Å
72	A	94.2	Very high	93.8	Very high	53 Å²	53	40.5 Å²	40.5	44%	0.438	23%	0.227	S	C	.	.	H	α-helix	trans	-61.2	-34.1	174.1	0	0	0	0	0	113	D68 V74 A75	D68-A72 WeakPolarHBondContact O-CB 3.48Å; D68-A72 PolarHBondContact O-N 2.66Å; D68-A72 VanDerWaalsContact O-N 3.11Å; A72-V74 VanDerWaalsContact C-N 3.27Å; A72-V74 PolarHBondContact O-N 3.23Å; A72-A75 PolarHBondContact O-N 2.98Å
73	Y	93.3	Very high	93.9	Very high	58 Å²	58	36.6 Å²	36.6	23%	0.227	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-33.1	176.2	175.9	-97.6	0	0	0	113.2	V24 Y47 Q53 F55 I69 F71	V24-Y73 HydrophobicContact CG2-CE2 4.21Å; Y47-Y73 HydrophobicContact CD2-CD1 4.45Å; Y47-Y73 HydrophobicContact CD2-CE1 4.35Å; Y47-Y73 HydrophobicContact CE1-CD1 4.42Å; Y47-Y73 AromaticContact CE2-CD1 3.64Å; Y47-Y73 HydrophobicContact CE2-CD1 3.64Å; Y47-Y73 AromaticContact CE2-CE1 3.85Å; Y47-Y73 HydrophobicContact CE2-CE1 3.85Å; Y47-Y73 AromaticContact CZ-CD1 3.6Å; Y47-Y73 WeakPolarHBondContact OH-CD1 3.22Å; Q53-Y73 HydrophobicContact CB-CD1 4.09Å; Q53-Y73 HydrophobicContact CB-CE1 3.79Å; Q53-Y73 HydrophobicContact CB-CE2 4.23Å; Q53-Y73 HydrophobicContact CB-CG 4.46Å; Q53-Y73 HydrophobicContact CG-CD1 4.39Å; Q53-Y73 HydrophobicContact CG-CD2 3.98Å; Q53-Y73 HydrophobicContact CG-CE1 4.27Å; Q53-Y73 HydrophobicContact CG-CE2 3.82Å; Q53-Y73 HydrophobicContact CG-CG 4.27Å; F55-Y73 HydrophobicContact CZ-CD2 4.46Å; F55-Y73 HydrophobicContact CZ-CG 4.02Å; I69-Y73 WeakPolarHBondContact O-CB 3.4Å; I69-Y73 PolarHBondContact O-N 2.68Å; I69-Y73 VanDerWaalsContact O-N 3.15Å; F71-Y73 VanDerWaalsContact C-N 3.27Å; F71-Y73 PolarHBondContact O-N 3.28Å
74	V	92.9	Very high	94	Very high	17 Å²	17	36.6 Å²	36.6	10%	0.103	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	8.7	176.4	-69.1	0	0	0	0	113.7	Y47 F71 A72 L76 L115 Y131	Y47-V74 HydrophobicContact CD1-CB 4.42Å; Y47-V74 HydrophobicContact CD1-CG1 3.38Å; Y47-V74 HydrophobicContact CD1-CG2 4.21Å; Y47-V74 HydrophobicContact CD2-CG1 4.47Å; Y47-V74 HydrophobicContact CE1-CB 4.3Å; Y47-V74 HydrophobicContact CE1-CG1 3.41Å; Y47-V74 VanDerWaalsContact CE1-CG1 3.41Å; Y47-V74 HydrophobicContact CE1-CG2 3.89Å; Y47-V74 HydrophobicContact CG-CG1 3.94Å; F71-V74 CarbonylContact O-C 3.45Å; F71-V74 WeakPolarHBondContact O-CG2 3.45Å; F71-V74 PolarHBondContact O-N 3.11Å; A72-V74 VanDerWaalsContact C-N 3.27Å; A72-V74 PolarHBondContact O-N 3.23Å; V74-L76 HydrophobicContact CG2-CB 3.87Å; V74-L76 PolarHBondContact O-N 3.24Å; V74-L115 HydrophobicContact CG2-CD2 4.47Å; V74-Y131 HydrophobicContact CB-CE1 4.45Å; V74-Y131 WeakPolarHBondContact O-CE1 3.38Å; V74-Y131 PolarHBondContact O-OH 3.39Å
75	A	92.1	Very high	94.1	Very high	57 Å²	57	34.6 Å²	34.6	47%	0.471	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	26.4	-173.7	0	0	0	0	0	115.3	F71 A72 V77	F71-A75 PolarHBondContact O-N 2.85Å; A72-A75 PolarHBondContact O-N 2.98Å; A75-V77 VanDerWaalsContact C-N 3.33Å; A75-V77 PolarHBondContact O-N 3.1Å
76	L	92.4	Very high	94.1	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	19%	0.186	C	C	.	.			trans	-75	84.5	173.1	179.5	59	0	0	0	110	F71 V74 K80 F83 L115 Y131 L135	F71-L76 HydrophobicContact CB-CB 4.22Å; F71-L76 HydrophobicContact CD1-CD2 4.24Å; F71-L76 HydrophobicContact CD2-CD2 4.06Å; F71-L76 HydrophobicContact CD2-CG 4.3Å; F71-L76 HydrophobicContact CE1-CD2 4.31Å; F71-L76 HydrophobicContact CE2-CD2 4.14Å; F71-L76 HydrophobicContact CG-CB 4.46Å; F71-L76 HydrophobicContact CG-CD2 4.11Å; F71-L76 HydrophobicContact CG-CG 4.45Å; F71-L76 HydrophobicContact CZ-CD2 4.25Å; F71-L76 PolarHBondContact O-N 3.01Å; V74-L76 HydrophobicContact CG2-CB 3.87Å; V74-L76 PolarHBondContact O-N 3.24Å; L76-K80 HydrophobicContact CD1-CB 4.36Å; L76-K80 HydrophobicContact CD2-CB 4.4Å; L76-K80 HydrophobicContact CG-CB 3.92Å; L76-F83 HydrophobicContact CD1-CD2 3.91Å; L76-F83 HydrophobicContact CD1-CE2 3.75Å; L76-F83 HydrophobicContact CD2-CB 3.95Å; L76-F83 HydrophobicContact CD2-CD1 4.39Å; L76-F83 HydrophobicContact CD2-CD2 3.57Å; L76-F83 HydrophobicContact CD2-CE2 4.14Å; L76-F83 HydrophobicContact CD2-CG 3.71Å; L76-F83 HydrophobicContact CG-CD2 4.31Å; L76-L115 HydrophobicContact CD2-CD1 4.45Å; L76-L115 HydrophobicContact CD2-CD2 4.47Å; L76-Y131 HydrophobicContact CB-CE1 4.41Å; L76-L135 HydrophobicContact CD1-CD1 4.13Å; L76-L135 HydrophobicContact CD2-CD1 4.41Å
77	V	86.6	Confident	94	Very high	98 Å²	98	34.4 Å²	34.4	59%	0.594	19%	0.188	S	C	*	.			trans	-100.4	-57.4	-176.9	179	0	0	0	0	111.1	A75	A75-V77 VanDerWaalsContact C-N 3.33Å; A75-V77 PolarHBondContact O-N 3.1Å
78	E	87.9	Confident	93.6	Very high	104 Å²	104	39.5 Å²	39.5	49%	0.486	21%	0.21	S	C	.	.	S	Bend	trans	-73.4	152.5	176.5	-57.4	-51.6	147.9	0	0	110.9	K80 D129	E78-K80 PolarHBondContact O-N 2.98Å; E78-D129 HydrophobicContact CB-CB 4.08Å
79	E	91.5	Very high	93	Very high	14 Å²	14	35.8 Å²	35.8	7%	0.065	19%	0.19	C	C	.	.	S	Bend	trans	53.9	11.2	169.3	-67.6	170.7	170.7	0	0	116.1	D81 Y82 H128 D129 T132	E79-D81 PolarHBondContact O-N 2.59Å; E79-Y82 HydrophobicContact CB-CD2 4.07Å; E79-Y82 HydrophobicContact CB-CE2 4.44Å; E79-Y82 WeakPolarHBondContact O-CD2 3.24Å; E79-Y82 PolarHBondContact O-N 2.95Å; E79-H128 WeakPolarHBondContact OE1-CA 3.46Å; E79-H128 WeakPolarHBondContact OE1-CB 3.36Å; E79-H128 IonicContact OE1-CG 3.01Å; E79-H128 PolarHBondContact OE1-N 2.98Å; E79-D129 PolarHBondContact OE1-N 3.23Å; E79-D129 WeakPolarHBondContact OE2-CB 3.3Å; E79-D129 PolarHBondContact OE2-N 2.88Å; E79-T132 HydrophobicContact CB-CG2 4.03Å; E79-T132 WeakPolarHBondContact CB-OG1 3.38Å; E79-T132 WeakPolarHBondContact OE2-CB 3.42Å; E79-T132 VanDerWaalsContact OE2-CG2 3.29Å; E79-T132 WeakPolarHBondContact OE2-CG2 3.43Å; E79-T132 PolarHBondContact OE2-OG1 3.02Å; E79-T132 VanDerWaalsContact OE2-OG1 3.07Å
80	K	93.1	Very high	92.4	Very high	77 Å²	77	38.9 Å²	38.9	34%	0.335	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-57.9	-19.5	-171.5	69.4	171.8	174.3	178.4	0	115.5	F71 L76 E78 Y82 F83	F71-K80 HydrophobicContact CD2-CB 3.73Å; F71-K80 HydrophobicContact CD2-CD 3.82Å; F71-K80 HydrophobicContact CD2-CG 4.28Å; F71-K80 HydrophobicContact CE2-CB 3.72Å; F71-K80 HydrophobicContact CE2-CD 4.19Å; F71-K80 HydrophobicContact CE2-CG 4.27Å; L76-K80 HydrophobicContact CD1-CB 4.36Å; L76-K80 HydrophobicContact CD2-CB 4.4Å; L76-K80 HydrophobicContact CG-CB 3.92Å; E78-K80 PolarHBondContact O-N 2.98Å; K80-Y82 PolarHBondContact O-N 3.34Å; K80-F83 PolarHBondContact O-N 3.17Å; K80-F83 VanDerWaalsContact O-N 3.07Å
81	D	93.2	Very high	91.9	Very high	29 Å²	29	40.9 Å²	40.9	16%	0.155	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-69.6	-18.3	178.4	-76.4	-49	0	0	0	112.9	E79 F83 F119 F325 F352 H353 L358	E79-D81 PolarHBondContact O-N 2.59Å; D81-F83 PolarHBondContact O-N 2.83Å; D81-F119 WeakPolarHBondContact O-CD2 3.05Å; D81-F325 HydrophobicContact CB-CE2 4.44Å; D81-F352 HydrophobicContact CB-CB 3.95Å; D81-F352 WeakPolarHBondContact OD1-CA 3.45Å; D81-F352 VanDerWaalsContact OD1-CB 3.22Å; D81-F352 WeakPolarHBondContact OD1-CB 3.42Å; D81-H353 WeakPolarHBondContact OD2-CB 3.47Å; D81-H353 IonicContact OD2-CE1 2.68Å; D81-H353 IonicContact OD2-CG 3.14Å; D81-H353 PolarHBondContact OD2-N 2.93Å; D81-H353 IonicContact OD2-ND1 3.49Å; D81-H353 PolarHBondContact OD2-ND1 3.09Å; D81-L358 HydrophobicContact CB-CD1 4.24Å; D81-L358 HydrophobicContact CB-CD2 4.46Å
82	Y	95.4	Very high	91.7	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.008	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-67.1	-17.2	167.5	-74.3	-74.5	0	0	0	112.8	E79 K80 K118 F119 A121 L127 F325 E355 L358 H359	E79-Y82 HydrophobicContact CB-CD2 4.07Å; E79-Y82 HydrophobicContact CB-CE2 4.44Å; E79-Y82 WeakPolarHBondContact O-CD2 3.24Å; E79-Y82 PolarHBondContact O-N 2.95Å; K80-Y82 PolarHBondContact O-N 3.34Å; Y82-K118 WeakPolarHBondContact O-CA 3.16Å; Y82-K118 PolarHBondContact O-N 3.3Å; Y82-F119 HydrophobicContact CD1-CB 4.07Å; Y82-F119 WeakPolarHBondContact CD1-O 3.17Å; Y82-F119 PolarHBondContact O-N 2.77Å; Y82-A121 HydrophobicContact CE1-CB 3.89Å; Y82-L127 HydrophobicContact CD1-CD2 4.49Å; Y82-L127 HydrophobicContact CD2-CD2 3.73Å; Y82-L127 HydrophobicContact CE1-CD2 4.22Å; Y82-L127 HydrophobicContact CE2-CD2 3.42Å; Y82-L127 VanDerWaalsContact CE2-CD2 3.42Å; Y82-L127 HydrophobicContact CG-CD2 4.27Å; Y82-F325 AromaticContact CD1-CE1 3.82Å; Y82-F325 HydrophobicContact CD1-CE1 3.82Å; Y82-F325 AromaticContact CD1-CZ 3.55Å; Y82-F325 HydrophobicContact CD1-CZ 3.55Å; Y82-F325 AromaticContact CE1-CE1 3.58Å; Y82-F325 HydrophobicContact CE1-CE1 3.58Å; Y82-F325 AromaticContact CE1-CZ 3.51Å; Y82-F325 HydrophobicContact CE1-CZ 3.51Å; Y82-F325 HydrophobicContact CG-CZ 4.15Å; Y82-E355 WeakPolarHBondContact OH-CG 3.5Å; Y82-E355 PolarHBondContact OH-OE1 3.08Å; Y82-L358 HydrophobicContact CD2-CD1 3.78Å; Y82-L358 HydrophobicContact CE2-CD1 3.51Å; Y82-H359 PolarHBondContact OH-NE2 2.76Å
83	F	96.8	Very high	91.6	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.035	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	156.2	-174.8	-60	-91	0	0	0	113.3	L48 F71 L76 K80 D81 L115 K116 V117 T132 L135 V136	L48-F83 HydrophobicContact CD1-CD1 4.28Å; L48-F83 HydrophobicContact CD1-CE1 4Å; F71-F83 HydrophobicContact CZ-CB 4.07Å; L76-F83 HydrophobicContact CD1-CD2 3.91Å; L76-F83 HydrophobicContact CD1-CE2 3.75Å; L76-F83 HydrophobicContact CD2-CB 3.95Å; L76-F83 HydrophobicContact CD2-CD1 4.39Å; L76-F83 HydrophobicContact CD2-CD2 3.57Å; L76-F83 HydrophobicContact CD2-CE2 4.14Å; L76-F83 HydrophobicContact CD2-CG 3.71Å; L76-F83 HydrophobicContact CG-CD2 4.31Å; K80-F83 PolarHBondContact O-N 3.17Å; K80-F83 VanDerWaalsContact O-N 3.07Å; D81-F83 PolarHBondContact O-N 2.83Å; F83-L115 HydrophobicContact CB-CD1 4.06Å; F83-K116 CarbonylContact C-O 3.57Å; F83-K116 WeakPolarHBondContact CA-O 3.37Å; F83-V117 HydrophobicContact CD1-CG2 4.18Å; F83-V117 HydrophobicContact CE1-CG2 3.8Å; F83-T132 HydrophobicContact CE2-CG2 3.93Å; F83-T132 HydrophobicContact CZ-CG2 4.15Å; F83-L135 HydrophobicContact CE1-CB 3.7Å; F83-L135 HydrophobicContact CE1-CD1 4.04Å; F83-L135 HydrophobicContact CZ-CB 3.7Å; F83-L135 HydrophobicContact CZ-CD1 3.9Å; F83-L135 HydrophobicContact CZ-CG 4.49Å; F83-V136 HydrophobicContact CE1-CG2 4.46Å; F83-V136 HydrophobicContact CZ-CG2 4.11Å
84	G	97	Very high	91.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	157	177.8	0	0	0	0	0	112.5	K116	G84-K116 PolarHBondContact N-O 3.11Å; G84-K116 PolarHBondContact O-N 3.37Å
85	L	97.3	Very high	91.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.9	167.4	-69.5	175.2	0	0	0	108.5	V45 L66 Y67 A70 F71 L95 F113 L115	V45-L85 HydrophobicContact CG1-CD2 3.81Å; L66-L85 HydrophobicContact CD2-CD1 4.13Å; L66-L85 HydrophobicContact CG-CD1 3.87Å; Y67-L85 HydrophobicContact CD1-CD1 3.84Å; Y67-L85 HydrophobicContact CD1-CG 3.87Å; Y67-L85 HydrophobicContact CE1-CB 3.84Å; Y67-L85 HydrophobicContact CE1-CD1 4Å; Y67-L85 HydrophobicContact CE1-CG 3.63Å; Y67-L85 VanDerWaalsContact CE1-N 3.33Å; Y67-L85 HydrophobicContact CG-CD1 4.13Å; Y67-L85 PolarHBondContact OH-N 2.8Å; Y67-L85 VanDerWaalsContact OH-N 3.11Å; A70-L85 HydrophobicContact CB-CD1 4.26Å; F71-L85 HydrophobicContact CE1-CG 4.48Å; L85-L95 HydrophobicContact CB-CB 4.11Å; L85-L95 HydrophobicContact CB-CD2 4.17Å; L85-L95 HydrophobicContact CD1-CD2 4.01Å; L85-L95 VanDerWaalsContact O-CB 3.3Å; L85-L95 WeakPolarHBondContact O-CB 3.28Å; L85-L95 PolarHBondContact O-N 2.67Å; L85-F113 HydrophobicContact CB-CD1 4.34Å; L85-L115 HydrophobicContact CD2-CB 4.37Å; L85-L115 HydrophobicContact CD2-CD1 4.31Å
86	Q	96	Very high	91.9	Very high	31 Å²	31	38.7 Å²	38.7	15%	0.145	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	138.6	177.3	-170.1	174.7	78.9	0	0	110.2	P92 M93 W94 F113 S114 K116	Q86-P92 HydrophobicContact CG-CB 4.06Å; Q86-M93 CarbonylContact C-O 3.56Å; Q86-M93 WeakPolarHBondContact CA-O 3.07Å; Q86-W94 HydrophobicContact CB-CE3 3.92Å; Q86-W94 HydrophobicContact CB-CZ3 3.87Å; Q86-F113 CarbonylContact O-C 3.58Å; Q86-F113 VanDerWaalsContact O-CA 3.22Å; Q86-F113 WeakPolarHBondContact O-CA 3.25Å; Q86-S114 PolarHBondContact N-O 2.76Å; Q86-S114 PolarHBondContact O-N 2.99Å; Q86-K116 HydrophobicContact CB-CD 4.4Å
87	F	94	Very high	91.9	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.6	170.6	64.7	-89.2	0	0	0	110.8	N89 M93 L95 Q104 Y105 F113	F87-N89 HydrophobicContact CD2-CB 4.03Å; F87-N89 HydrophobicContact CE2-CB 3.86Å; F87-M93 HydrophobicContact CD1-CB 4.41Å; F87-M93 WeakPolarHBondContact CD1-O 3.38Å; F87-M93 HydrophobicContact CD2-CB 4.26Å; F87-M93 HydrophobicContact CE1-CB 3.96Å; F87-M93 HydrophobicContact CE2-CB 3.81Å; F87-M93 HydrophobicContact CE2-CG 4.38Å; F87-M93 HydrophobicContact CE2-SD 4Å; F87-M93 HydrophobicContact CZ-CB 3.65Å; F87-M93 HydrophobicContact CZ-CE 4.22Å; F87-M93 HydrophobicContact CZ-CG 4.48Å; F87-M93 HydrophobicContact CZ-SD 4.19Å; F87-M93 PolarHBondContact N-O 2.95Å; F87-M93 PolarHBondContact O-N 2.89Å; F87-L95 HydrophobicContact CD1-CB 4.38Å; F87-L95 HydrophobicContact CE1-CB 4.47Å; F87-Q104 HydrophobicContact CE1-CB 4.49Å; F87-Q104 HydrophobicContact CZ-CB 4.16Å; F87-Y105 AromaticContact CD2-CD2 3.49Å; F87-Y105 HydrophobicContact CD2-CD2 3.49Å; F87-Y105 VanDerWaalsContact CD2-CD2 3.49Å; F87-Y105 AromaticContact CD2-CE2 3.85Å; F87-Y105 HydrophobicContact CD2-CE2 3.85Å; F87-Y105 AromaticContact CE2-CD2 3.87Å; F87-Y105 HydrophobicContact CE2-CD2 3.87Å; F87-Y105 HydrophobicContact CG-CD2 4.21Å; F87-F113 HydrophobicContact CB-CD1 3.75Å; F87-F113 HydrophobicContact CB-CE1 3.89Å; F87-F113 HydrophobicContact CD1-CD1 4.21Å; F87-F113 AromaticContact CD1-CE1 3.82Å; F87-F113 HydrophobicContact CD1-CE1 3.82Å; F87-F113 HydrophobicContact CG-CD1 4.41Å; F87-F113 HydrophobicContact CG-CE1 4.15Å
88	F	89.5	Confident	92.2	Very high	130 Å²	130	38.3 Å²	38.3	57%	0.57	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.9	177.8	-164.9	-96.6	0	0	0	111.6	D90 P92 Y105	F88-D90 WeakPolarHBondContact CZ-O 3.46Å; F88-P92 HydrophobicContact CD2-CG 4.22Å; F88-P92 HydrophobicContact CE2-CG 4.31Å; F88-Y105 WeakPolarHBondContact O-CE2 3.26Å
89	N	80.7	Confident	92.4	Very high	17 Å²	17	37 Å²	37	9%	0.091	19%	0.188	C	C	.	.	S	Bend	trans	-149	81.5	177.8	-177.7	19.2	0	0	0	106.9	F87 V91 M93 Y105 K310	F87-N89 HydrophobicContact CD2-CB 4.03Å; F87-N89 HydrophobicContact CE2-CB 3.86Å; N89-V91 PolarHBondContact N-O 2.75Å; N89-V91 VanDerWaalsContact N-O 3.09Å; N89-V91 PolarHBondContact O-N 3.09Å; N89-M93 HydrophobicContact CB-SD 4.22Å; N89-Y105 HydrophobicContact CB-CE2 4.41Å; N89-K310 PolarHBondContact O-NZ 2.68Å
90	D	83.8	Confident	92.5	Very high	100 Å²	100	40.4 Å²	40.4	54%	0.535	20%	0.202	S	C	.	.	S	Bend	trans	66.6	-36.6	-166.5	-27.3	-54.3	0	0	0	114.6	F88 K106 K310	F88-D90 WeakPolarHBondContact CZ-O 3.46Å; D90-K106 IonicContact OD1-NZ 2.76Å; D90-K106 IonicContact OD2-NZ 3.44Å; D90-K106 PolarHBondContact OD2-NZ 3.4Å; D90-K310 IonicContact OD2-NZ 2.7Å; D90-K310 PolarHBondContact OD2-NZ 3.14Å
91	V	86.4	Confident	92.5	Very high	43 Å²	43	36.8 Å²	36.8	26%	0.261	19%	0.187	S	C	.	.	S	Bend	trans	-136.7	161.4	172.9	-69.9	0	0	0	0	109.3	N89 M93 I314	N89-V91 PolarHBondContact N-O 2.75Å; N89-V91 VanDerWaalsContact N-O 3.09Å; N89-V91 PolarHBondContact O-N 3.09Å; V91-M93 HydrophobicContact CG2-CG 4.27Å; V91-I314 HydrophobicContact CG2-CD1 3.46Å; V91-I314 VanDerWaalsContact CG2-CD1 3.46Å
92	P	90.7	Very high	92.3	Very high	66 Å²	66	40.6 Å²	40.6	43%	0.429	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	136.3	171	-17.6	31.6	0	0	0	111	Q86 F88	Q86-P92 HydrophobicContact CG-CB 4.06Å; F88-P92 HydrophobicContact CD2-CG 4.22Å; F88-P92 HydrophobicContact CE2-CG 4.31Å
93	M	92.5	Very high	92	Very high	40 Å²	40	49 Å²	49	20%	0.197	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132.1	-178.2	-66.9	-174.8	66.1	0	0	111	Q86 F87 N89 V91 I314	Q86-M93 CarbonylContact C-O 3.56Å; Q86-M93 WeakPolarHBondContact CA-O 3.07Å; F87-M93 HydrophobicContact CD1-CB 4.41Å; F87-M93 WeakPolarHBondContact CD1-O 3.38Å; F87-M93 HydrophobicContact CD2-CB 4.26Å; F87-M93 HydrophobicContact CE1-CB 3.96Å; F87-M93 HydrophobicContact CE2-CB 3.81Å; F87-M93 HydrophobicContact CE2-CG 4.38Å; F87-M93 HydrophobicContact CE2-SD 4Å; F87-M93 HydrophobicContact CZ-CB 3.65Å; F87-M93 HydrophobicContact CZ-CE 4.22Å; F87-M93 HydrophobicContact CZ-CG 4.48Å; F87-M93 HydrophobicContact CZ-SD 4.19Å; F87-M93 PolarHBondContact N-O 2.95Å; F87-M93 PolarHBondContact O-N 2.89Å; N89-M93 HydrophobicContact CB-SD 4.22Å; V91-M93 HydrophobicContact CG2-CG 4.27Å; M93-I314 HydrophobicContact CE-CD1 4.17Å; M93-I314 HydrophobicContact CE-CG1 4.25Å; M93-I314 HydrophobicContact CG-CD1 3.76Å; M93-I314 HydrophobicContact CG-CG1 4.37Å; M93-I314 HydrophobicContact SD-CD1 4.04Å
94	W	95.2	Very high	91.7	Very high	35 Å²	35	50.1 Å²	50.1	13%	0.133	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.6	170.4	-62.8	116.6	0	0	0	111.5	Q86 D96 K116 V117 K118	Q86-W94 HydrophobicContact CB-CE3 3.92Å; Q86-W94 HydrophobicContact CB-CZ3 3.87Å; W94-D96 PolarHBondContact O-N 3.19Å; W94-K116 HydrophobicContact CH2-CB 3.83Å; W94-K116 HydrophobicContact CZ3-CB 4.04Å; W94-V117 WeakPolarHBondContact CH2-O 3.36Å; W94-K118 HydrophobicContact CD2-CD 4.15Å; W94-K118 HydrophobicContact CD2-CG 4.12Å; W94-K118 HydrophobicContact CE3-CB 4.47Å; W94-K118 HydrophobicContact CE3-CD 4.36Å; W94-K118 HydrophobicContact CE3-CG 4.39Å; W94-K118 HydrophobicContact CG-CD 4.43Å; W94-K118 HydrophobicContact CH2-CB 3.77Å; W94-K118 HydrophobicContact CH2-CG 4.16Å; W94-K118 HydrophobicContact CZ2-CB 3.96Å; W94-K118 HydrophobicContact CZ2-CG 3.88Å; W94-K118 HydrophobicContact CZ3-CB 4.05Å; W94-K118 HydrophobicContact CZ3-CG 4.41Å
95	L	95.3	Very high	91.1	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.249	C	C	.	.			trans	-69.7	119	171.6	179.4	67.9	0	0	0	109.6	L66 Y67 L85 F87 P97 I101 F113	L66-L95 HydrophobicContact CB-CD2 4.44Å; L66-L95 HydrophobicContact CD2-CD2 4Å; Y67-L95 HydrophobicContact CD2-CD2 4.21Å; Y67-L95 HydrophobicContact CE2-CB 4.11Å; Y67-L95 HydrophobicContact CE2-CD2 3.86Å; Y67-L95 HydrophobicContact CE2-CG 3.96Å; Y67-L95 WeakPolarHBondContact CE2-O 3.34Å; Y67-L95 PolarHBondContact OH-O 3.14Å; L85-L95 HydrophobicContact CB-CB 4.11Å; L85-L95 HydrophobicContact CB-CD2 4.17Å; L85-L95 HydrophobicContact CD1-CD2 4.01Å; L85-L95 VanDerWaalsContact O-CB 3.3Å; L85-L95 WeakPolarHBondContact O-CB 3.28Å; L85-L95 PolarHBondContact O-N 2.67Å; F87-L95 HydrophobicContact CD1-CB 4.38Å; F87-L95 HydrophobicContact CE1-CB 4.47Å; L95-P97 WeakPolarHBondContact O-CD 3.17Å; L95-I101 HydrophobicContact CD1-CG1 4.27Å; L95-F113 HydrophobicContact CB-CE1 4.33Å; L95-F113 HydrophobicContact CD1-CE1 4.04Å; L95-F113 HydrophobicContact CD2-CD1 4.49Å; L95-F113 HydrophobicContact CD2-CE1 4.04Å; L95-F113 HydrophobicContact CG-CE1 4.37Å
96	D	94	Very high	90	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.037	28%	0.275	C	S	.	.			trans	-77.2	110.2	176.4	-167.8	-49.1	0	0	0	108.8	W94 T98 K99 Q104 K317	W94-D96 PolarHBondContact O-N 3.19Å; D96-T98 PolarHBondContact O-N 3.3Å; D96-T98 VanDerWaalsContact O-N 3.17Å; D96-T98 PolarHBondContact OD1-N 3.5Å; D96-T98 PolarHBondContact OD1-OG1 2.88Å; D96-K99 HydrophobicContact CB-CB 4.32Å; D96-K99 HydrophobicContact CB-CD 4.22Å; D96-K99 HydrophobicContact CB-CG 4.46Å; D96-K99 PolarHBondContact O-N 2.97Å; D96-K99 IonicContact OD1-NZ 3.45Å; D96-K99 PolarHBondContact OD1-NZ 3.13Å; D96-K99 VanDerWaalsContact OD1-NZ 3.08Å; D96-K99 WeakPolarHBondContact OD2-CD 3.33Å; D96-K99 WeakPolarHBondContact OD2-CE 3.42Å; D96-K99 IonicContact OD2-NZ 2.93Å; D96-K99 PolarHBondContact OD2-NZ 2.9Å; D96-Q104 PolarHBondContact O-NE2 3.28Å; D96-K317 IonicContact OD2-NZ 2.66Å; D96-K317 PolarHBondContact OD2-NZ 2.84Å
97	P	93.9	Very high	88.3	Confident	29 Å²	29	62.8 Å²	62.8	19%	0.188	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.1	-174.8	25.9	-36.1	0	0	0	112.4	G63 S64 Y67 L95 K99 S351	G63-P97 PolarHBondContact N-O 2.98Å; S64-P97 PolarHBondContact N-O 3.3Å; S64-P97 PolarHBondContact OG-O 3.45Å; Y67-P97 HydrophobicContact CD2-CB 3.82Å; Y67-P97 HydrophobicContact CE2-CB 3.89Å; Y67-P97 HydrophobicContact CE2-CG 4.44Å; L95-P97 WeakPolarHBondContact O-CD 3.17Å; P97-K99 VanDerWaalsContact C-N 3.27Å; P97-K99 PolarHBondContact O-N 3.37Å; P97-S351 WeakPolarHBondContact CG-OG 3.36Å
98	T	91.2	Very high	87.4	Confident	64 Å²	64	70.8 Å²	70.8	39%	0.393	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.1	-177.4	75	0	0	0	0	114.6	D96	D96-T98 PolarHBondContact O-N 3.3Å; D96-T98 VanDerWaalsContact O-N 3.17Å; D96-T98 PolarHBondContact OD1-N 3.5Å; D96-T98 PolarHBondContact OD1-OG1 2.88Å
99	K	92.9	Very high	86.8	Confident	77 Å²	77	70.3 Å²	70.3	34%	0.335	34%	0.343	S	S	.	.	S	Bend	trans	-125.5	142.5	-171.7	-68.3	176.5	-173.5	65.8	0	112.2	G63 D96 P97 I101 Q104	G63-K99 PolarHBondContact N-O 3.24Å; D96-K99 HydrophobicContact CB-CB 4.32Å; D96-K99 HydrophobicContact CB-CD 4.22Å; D96-K99 HydrophobicContact CB-CG 4.46Å; D96-K99 PolarHBondContact O-N 2.97Å; D96-K99 IonicContact OD1-NZ 3.45Å; D96-K99 PolarHBondContact OD1-NZ 3.13Å; D96-K99 VanDerWaalsContact OD1-NZ 3.08Å; D96-K99 WeakPolarHBondContact OD2-CD 3.33Å; D96-K99 WeakPolarHBondContact OD2-CE 3.42Å; D96-K99 IonicContact OD2-NZ 2.93Å; D96-K99 PolarHBondContact OD2-NZ 2.9Å; P97-K99 VanDerWaalsContact C-N 3.27Å; P97-K99 PolarHBondContact O-N 3.37Å; K99-I101 PolarHBondContact O-N 2.66Å; K99-Q104 HydrophobicContact CB-CG 4.12Å; K99-Q104 PolarHBondContact O-NE2 2.69Å
100	K	93.4	Very high	87.1	Confident	85 Å²	85	71.2 Å²	71.2	37%	0.37	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-53.5	127	174.4	-64.6	-170.3	175.3	-177.1	0	111.4	S60 A61 E62 K102 K103	S60-K100 WeakPolarHBondContact O-CE 3.24Å; A61-K100 CarbonylContact O-C 3.55Å; A61-K100 VanDerWaalsContact O-CA 3.22Å; A61-K100 WeakPolarHBondContact O-CA 3.4Å; E62-K100 HydrophobicContact CG-CG 4.07Å; K100-K102 VanDerWaalsContact C-N 3.27Å; K100-K102 PolarHBondContact O-N 3.17Å; K100-K103 HydrophobicContact CB-CB 4.48Å; K100-K103 HydrophobicContact CB-CD 4.43Å; K100-K103 HydrophobicContact CB-CG 4.25Å; K100-K103 WeakPolarHBondContact O-CA 3.36Å; K100-K103 WeakPolarHBondContact O-CB 3.33Å; K100-K103 PolarHBondContact O-N 3.32Å
101	I	92.7	Very high	87.5	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-54	-45.8	-175.4	-64.3	164.4	0	0	0	110.6	I41 V57 A61 L66 L95 K99 K103 Q104 Y105 I111 F113	I41-I101 HydrophobicContact CD1-CB 4.49Å; V57-I101 HydrophobicContact CG2-CD1 3.83Å; A61-I101 HydrophobicContact CB-CD1 4.34Å; A61-I101 PolarHBondContact O-N 2.83Å; L66-I101 HydrophobicContact CB-CD1 3.78Å; L66-I101 HydrophobicContact CD2-CD1 4.25Å; L95-I101 HydrophobicContact CD1-CG1 4.27Å; K99-I101 PolarHBondContact O-N 2.66Å; I101-K103 PolarHBondContact O-N 2.83Å; I101-K103 VanDerWaalsContact O-N 3.09Å; I101-Q104 PolarHBondContact O-N 2.74Å; I101-Y105 PolarHBondContact O-N 3.13Å; I101-I111 HydrophobicContact CG2-CD1 3.82Å; I101-F113 HydrophobicContact CG2-CZ 4.08Å
102	K	88.9	Confident	87.9	Confident	109 Å²	109	67.9 Å²	67.9	47%	0.474	34%	0.337	S	S	.	.	H	α-helix	trans	-56.7	-24.2	175.4	-170	177.9	179.4	-169.7	0	114.8	I41 K100	I41-K102 HydrophobicContact CD1-CB 4.04Å; K100-K102 VanDerWaalsContact C-N 3.27Å; K100-K102 PolarHBondContact O-N 3.17Å
103	K	89.8	Confident	88.2	Confident	180 Å²	180	65 Å²	65	78%	0.783	32%	0.317	S	S	*	.	H	α-helix	trans	-85.8	-12.4	177.2	-71.6	-172	173.8	-170.7	0	113.4	K100 I101	K100-K103 HydrophobicContact CB-CB 4.48Å; K100-K103 HydrophobicContact CB-CD 4.43Å; K100-K103 HydrophobicContact CB-CG 4.25Å; K100-K103 WeakPolarHBondContact O-CA 3.36Å; K100-K103 WeakPolarHBondContact O-CB 3.33Å; K100-K103 PolarHBondContact O-N 3.32Å; I101-K103 PolarHBondContact O-N 2.83Å; I101-K103 VanDerWaalsContact O-N 3.09Å
104	Q	91	Very high	88.4	Confident	31 Å²	31	65.2 Å²	65.2	15%	0.145	32%	0.323	C	S	.	.	H	α-helix	trans	-98.5	-32.6	-178.3	-54.3	-168.7	58.4	0	0	111.8	F87 D96 K99 I101	F87-Q104 HydrophobicContact CE1-CB 4.49Å; F87-Q104 HydrophobicContact CZ-CB 4.16Å; D96-Q104 PolarHBondContact O-NE2 3.28Å; K99-Q104 HydrophobicContact CB-CG 4.12Å; K99-Q104 PolarHBondContact O-NE2 2.69Å; I101-Q104 PolarHBondContact O-N 2.74Å
105	Y	83.6	Confident	88.5	Confident	28 Å²	28	63.7 Å²	63.7	11%	0.11	32%	0.317	C	S	.	.	S	Bend	trans	-105.7	134.7	-179.1	-159.2	-86.1	0	0	0	112	F87 F88 N89 I101 N107 R108 I111	F87-Y105 AromaticContact CD2-CD2 3.49Å; F87-Y105 HydrophobicContact CD2-CD2 3.49Å; F87-Y105 VanDerWaalsContact CD2-CD2 3.49Å; F87-Y105 AromaticContact CD2-CE2 3.85Å; F87-Y105 HydrophobicContact CD2-CE2 3.85Å; F87-Y105 AromaticContact CE2-CD2 3.87Å; F87-Y105 HydrophobicContact CE2-CD2 3.87Å; F87-Y105 HydrophobicContact CG-CD2 4.21Å; F88-Y105 WeakPolarHBondContact O-CE2 3.26Å; N89-Y105 HydrophobicContact CB-CE2 4.41Å; I101-Y105 PolarHBondContact O-N 3.13Å; Y105-N107 PolarHBondContact O-N 2.88Å; Y105-R108 HydrophobicContact CD1-CB 4.23Å; Y105-R108 HydrophobicContact CE1-CB 3.74Å; Y105-R108 HydrophobicContact CE1-CG 3.73Å; Y105-I111 HydrophobicContact CD1-CD1 4.03Å; Y105-I111 HydrophobicContact CD1-CG1 3.82Å; Y105-I111 HydrophobicContact CD1-CG2 4.38Å; Y105-I111 HydrophobicContact CD2-CG1 4.45Å; Y105-I111 HydrophobicContact CD2-CG2 3.54Å; Y105-I111 HydrophobicContact CE1-CG1 4.26Å; Y105-I111 HydrophobicContact CE2-CG2 3.75Å; Y105-I111 HydrophobicContact CG-CD1 3.81Å; Y105-I111 HydrophobicContact CG-CG1 3.93Å; Y105-I111 HydrophobicContact CG-CG2 3.89Å
106	K	74	Confident	88.6	Confident	125 Å²	125	66.5 Å²	66.5	54%	0.543	33%	0.329	S	S	.	.			trans	-74.9	95.6	-177.6	-66.8	174.2	-173.7	161.3	0	111.1	D90 R108	D90-K106 IonicContact OD1-NZ 2.76Å; D90-K106 IonicContact OD2-NZ 3.44Å; D90-K106 PolarHBondContact OD2-NZ 3.4Å; K106-R108 PolarHBondContact O-N 3.18Å; K106-R108 VanDerWaalsContact O-N 3.09Å
107	N	61.9	Low	88.8	Confident	143 Å²	143	66.5 Å²	66.5	77%	0.765	33%	0.329	S	S	*	.	S	Bend	trans	39.8	51.2	161.6	-75.2	-8.6	0	0	0	117.3	Y105	Y105-N107 PolarHBondContact O-N 2.88Å
108	R	73.6	Confident	88.9	Confident	175 Å²	175	65.9 Å²	65.9	66%	0.66	32%	0.324	S	S	*	.			trans	-112	150.9	159.6	-62.1	-173.7	-170.3	-167.2	-1.2	110.3	Y105 K106 S110	Y105-R108 HydrophobicContact CD1-CB 4.23Å; Y105-R108 HydrophobicContact CE1-CB 3.74Å; Y105-R108 HydrophobicContact CE1-CG 3.73Å; K106-R108 PolarHBondContact O-N 3.18Å; K106-R108 VanDerWaalsContact O-N 3.09Å; R108-S110 WeakPolarHBondContact CB-O 3.35Å
109	T	76.5	Confident	89.1	Confident	119 Å²	119	63 Å²	63	73%	0.73	31%	0.306	S	S	*	.	S	Bend	trans	-79.9	-33.3	175.7	44.1	0	0	0	0	112.5	E42	E42-T109 PolarHBondContact N-O 2.94Å
110	S	88.8	Confident	89.2	Confident	36 Å²	36	60 Å²	60	25%	0.252	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.8	170.4	176	0	0	0	0	110.5	E42 R108	E42-S110 CarbonylContact O-C 3.56Å; E42-S110 WeakPolarHBondContact O-CA 3.38Å; R108-S110 WeakPolarHBondContact CB-O 3.35Å
111	I	91.3	Very high	89.1	Confident	3 Å²	3	56 Å²	56	2%	0.015	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129	179.6	-51.8	172	0	0	0	108.5	I41 E42 C43 K44 I101 Y105 F113	I41-I111 HydrophobicContact CG2-CD1 3.75Å; I41-I111 HydrophobicContact CG2-CG1 4.2Å; E42-I111 PolarHBondContact O-N 3.09Å; C43-I111 WeakPolarHBondContact CA-O 3.33Å; K44-I111 PolarHBondContact N-O 2.83Å; I101-I111 HydrophobicContact CG2-CD1 3.82Å; Y105-I111 HydrophobicContact CD1-CD1 4.03Å; Y105-I111 HydrophobicContact CD1-CG1 3.82Å; Y105-I111 HydrophobicContact CD1-CG2 4.38Å; Y105-I111 HydrophobicContact CD2-CG1 4.45Å; Y105-I111 HydrophobicContact CD2-CG2 3.54Å; Y105-I111 HydrophobicContact CE1-CG1 4.26Å; Y105-I111 HydrophobicContact CE2-CG2 3.75Å; Y105-I111 HydrophobicContact CG-CD1 3.81Å; Y105-I111 HydrophobicContact CG-CG1 3.93Å; Y105-I111 HydrophobicContact CG-CG2 3.89Å; I111-F113 HydrophobicContact CB-CD2 4.46Å; I111-F113 HydrophobicContact CB-CE2 3.71Å; I111-F113 HydrophobicContact CB-CZ 4.14Å; I111-F113 HydrophobicContact CG2-CD2 4.06Å; I111-F113 HydrophobicContact CG2-CE1 4.18Å; I111-F113 HydrophobicContact CG2-CE2 3.41Å; I111-F113 VanDerWaalsContact CG2-CE2 3.41Å; I111-F113 HydrophobicContact CG2-CZ 3.48Å; I111-F113 VanDerWaalsContact CG2-CZ 3.48Å
112	S	94.2	Very high	88.9	Confident	71 Å²	71	59.3 Å²	59.3	50%	0.497	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.1	171.9	-59.7	0	0	0	0	110.7	K44	K44-S112 CarbonylContact O-C 3.58Å; K44-S112 WeakPolarHBondContact O-CA 3.4Å
113	F	96.9	Very high	88.8	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	157.3	174.7	-61.1	-89.9	0	0	0	109.5	C43 K44 V45 A46 L66 L85 Q86 F87 L95 I101 I111	C43-F113 HydrophobicContact CB-CD2 4.21Å; C43-F113 HydrophobicContact CB-CE2 3.93Å; K44-F113 PolarHBondContact O-N 3.34Å; V45-F113 WeakPolarHBondContact CA-O 3.48Å; V45-F113 HydrophobicContact CG2-CB 4.32Å; A46-F113 PolarHBondContact N-O 2.92Å; L66-F113 HydrophobicContact CD2-CD1 4.46Å; L66-F113 HydrophobicContact CD2-CD2 3.78Å; L66-F113 HydrophobicContact CD2-CE1 4.26Å; L66-F113 HydrophobicContact CD2-CE2 3.52Å; L66-F113 HydrophobicContact CD2-CG 4.24Å; L66-F113 HydrophobicContact CD2-CZ 3.79Å; L85-F113 HydrophobicContact CB-CD1 4.34Å; Q86-F113 CarbonylContact O-C 3.58Å; Q86-F113 VanDerWaalsContact O-CA 3.22Å; Q86-F113 WeakPolarHBondContact O-CA 3.25Å; F87-F113 HydrophobicContact CB-CD1 3.75Å; F87-F113 HydrophobicContact CB-CE1 3.89Å; F87-F113 HydrophobicContact CD1-CD1 4.21Å; F87-F113 AromaticContact CD1-CE1 3.82Å; F87-F113 HydrophobicContact CD1-CE1 3.82Å; F87-F113 HydrophobicContact CG-CD1 4.41Å; F87-F113 HydrophobicContact CG-CE1 4.15Å; L95-F113 HydrophobicContact CB-CE1 4.33Å; L95-F113 HydrophobicContact CD1-CE1 4.04Å; L95-F113 HydrophobicContact CD2-CD1 4.49Å; L95-F113 HydrophobicContact CD2-CE1 4.04Å; L95-F113 HydrophobicContact CG-CE1 4.37Å; I101-F113 HydrophobicContact CG2-CZ 4.08Å; I111-F113 HydrophobicContact CB-CD2 4.46Å; I111-F113 HydrophobicContact CB-CE2 3.71Å; I111-F113 HydrophobicContact CB-CZ 4.14Å; I111-F113 HydrophobicContact CG2-CD2 4.06Å; I111-F113 HydrophobicContact CG2-CE1 4.18Å; I111-F113 HydrophobicContact CG2-CE2 3.41Å; I111-F113 VanDerWaalsContact CG2-CE2 3.41Å; I111-F113 HydrophobicContact CG2-CZ 3.48Å; I111-F113 VanDerWaalsContact CG2-CZ 3.48Å
114	S	97.3	Very high	88.9	Confident	45 Å²	45	49.1 Å²	49.1	32%	0.315	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.5	167.8	-52.5	0	0	0	0	109.1	A46 Q86	A46-S114 CarbonylContact O-C 3.55Å; A46-S114 WeakPolarHBondContact O-CA 3.37Å; Q86-S114 PolarHBondContact N-O 2.76Å; Q86-S114 PolarHBondContact O-N 2.99Å
115	L	98.1	Very high	88.7	Confident	3 Å²	3	53 Å²	53	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129.2	161.9	-177	68.7	0	0	0	108	A46 Y47 L48 F71 V74 L76 F83 L85	A46-L115 PolarHBondContact O-N 2.86Å; Y47-L115 HydrophobicContact CD1-CB 4.02Å; Y47-L115 HydrophobicContact CD1-CD2 3.71Å; Y47-L115 HydrophobicContact CD1-CG 4.49Å; Y47-L115 HydrophobicContact CE1-CD2 4.23Å; L48-L115 WeakPolarHBondContact CD2-O 3.16Å; F71-L115 HydrophobicContact CD1-CD1 4.05Å; F71-L115 HydrophobicContact CE1-CD1 3.38Å; F71-L115 HydrophobicContact CZ-CD1 4.12Å; V74-L115 HydrophobicContact CG2-CD2 4.47Å; L76-L115 HydrophobicContact CD2-CD1 4.45Å; L76-L115 HydrophobicContact CD2-CD2 4.47Å; F83-L115 HydrophobicContact CB-CD1 4.06Å; L85-L115 HydrophobicContact CD2-CB 4.37Å; L85-L115 HydrophobicContact CD2-CD1 4.31Å
116	K	97.6	Very high	89	Confident	61 Å²	61	52.9 Å²	52.9	27%	0.265	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.1	176.4	-67.7	-166.3	177.2	178.8	0	111	F83 G84 Q86 W94 K118	F83-K116 CarbonylContact C-O 3.57Å; F83-K116 WeakPolarHBondContact CA-O 3.37Å; G84-K116 PolarHBondContact N-O 3.11Å; G84-K116 PolarHBondContact O-N 3.37Å; Q86-K116 HydrophobicContact CB-CD 4.4Å; W94-K116 HydrophobicContact CH2-CB 3.83Å; W94-K116 HydrophobicContact CZ3-CB 4.04Å; K116-K118 PolarHBondContact O-N 3.14Å
117	V	96.9	Very high	89.8	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	125	162.7	-175.7	0	0	0	0	107.7	F83 W94 F119 F120 V136 Q139	F83-V117 HydrophobicContact CD1-CG2 4.18Å; F83-V117 HydrophobicContact CE1-CG2 3.8Å; W94-V117 WeakPolarHBondContact CH2-O 3.36Å; V117-F119 WeakPolarHBondContact CG1-O 3.33Å; V117-F120 HydrophobicContact CB-CE1 3.98Å; V117-F120 HydrophobicContact CB-CE2 3.96Å; V117-F120 HydrophobicContact CB-CZ 3.68Å; V117-F120 HydrophobicContact CG1-CD1 3.82Å; V117-F120 HydrophobicContact CG1-CD2 3.77Å; V117-F120 HydrophobicContact CG1-CE1 3.75Å; V117-F120 HydrophobicContact CG1-CE2 3.73Å; V117-F120 HydrophobicContact CG1-CG 3.84Å; V117-F120 HydrophobicContact CG1-CZ 3.73Å; V117-F120 HydrophobicContact CG2-CE1 4.31Å; V117-F120 HydrophobicContact CG2-CZ 4.37Å; V117-V136 HydrophobicContact CG2-CB 4.36Å; V117-V136 HydrophobicContact CG2-CG2 3.85Å; V117-Q139 HydrophobicContact CB-CG 4.09Å; V117-Q139 HydrophobicContact CG2-CB 3.73Å; V117-Q139 HydrophobicContact CG2-CG 3.84Å
118	K	96	Very high	91.2	Very high	17 Å²	17	45.8 Å²	45.8	7%	0.074	24%	0.242	C	C	.	.	S	Bend	trans	-99.8	-41.2	179.8	178.6	176.7	-177.2	-179.6	0	111.4	Y82 W94 K116 E321	Y82-K118 WeakPolarHBondContact O-CA 3.16Å; Y82-K118 PolarHBondContact O-N 3.3Å; W94-K118 HydrophobicContact CD2-CD 4.15Å; W94-K118 HydrophobicContact CD2-CG 4.12Å; W94-K118 HydrophobicContact CE3-CB 4.47Å; W94-K118 HydrophobicContact CE3-CD 4.36Å; W94-K118 HydrophobicContact CE3-CG 4.39Å; W94-K118 HydrophobicContact CG-CD 4.43Å; W94-K118 HydrophobicContact CH2-CB 3.77Å; W94-K118 HydrophobicContact CH2-CG 4.16Å; W94-K118 HydrophobicContact CZ2-CB 3.96Å; W94-K118 HydrophobicContact CZ2-CG 3.88Å; W94-K118 HydrophobicContact CZ3-CB 4.05Å; W94-K118 HydrophobicContact CZ3-CG 4.41Å; K116-K118 PolarHBondContact O-N 3.14Å; K118-E321 VanDerWaalsContact CE-OE2 3.26Å; K118-E321 WeakPolarHBondContact CE-OE2 3.21Å; K118-E321 IonicContact NZ-OE1 3.38Å; K118-E321 PolarHBondContact NZ-OE1 3.4Å; K118-E321 IonicContact NZ-OE2 2.82Å; K118-E321 PolarHBondContact NZ-OE2 2.92Å
119	F	95.2	Very high	92.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	22%	0.218	C	C	.	.	S	Bend	trans	-119.8	127.6	171.8	-52.7	-62.8	0	0	0	106.9	D81 Y82 V117 E321 H322 F325 F326 F352	D81-F119 WeakPolarHBondContact O-CD2 3.05Å; Y82-F119 HydrophobicContact CD1-CB 4.07Å; Y82-F119 WeakPolarHBondContact CD1-O 3.17Å; Y82-F119 PolarHBondContact O-N 2.77Å; V117-F119 WeakPolarHBondContact CG1-O 3.33Å; F119-E321 HydrophobicContact CE1-CB 4.19Å; F119-E321 HydrophobicContact CZ-CB 4.04Å; F119-H322 AromaticContact CE1-ND1 3.92Å; F119-F325 HydrophobicContact CB-CD1 3.71Å; F119-F325 HydrophobicContact CB-CE1 3.54Å; F119-F325 HydrophobicContact CB-CG 4.32Å; F119-F325 HydrophobicContact CB-CZ 4.02Å; F119-F325 HydrophobicContact CD1-CB 4.17Å; F119-F325 HydrophobicContact CD1-CD1 4.1Å; F119-F325 HydrophobicContact CD1-CG 4.09Å; F119-F325 HydrophobicContact CD2-CB 4.29Å; F119-F325 AromaticContact CD2-CD1 3.88Å; F119-F325 HydrophobicContact CD2-CD1 3.88Å; F119-F325 AromaticContact CD2-CD2 3.45Å; F119-F325 HydrophobicContact CD2-CD2 3.45Å; F119-F325 VanDerWaalsContact CD2-CD2 3.45Å; F119-F325 HydrophobicContact CD2-CE1 4.01Å; F119-F325 AromaticContact CD2-CE2 3.61Å; F119-F325 HydrophobicContact CD2-CE2 3.61Å; F119-F325 AromaticContact CD2-CG 3.59Å; F119-F325 HydrophobicContact CD2-CG 3.59Å; F119-F325 AromaticContact CD2-CZ 3.89Å; F119-F325 HydrophobicContact CD2-CZ 3.89Å; F119-F325 HydrophobicContact CE1-CB 3.98Å; F119-F325 HydrophobicContact CE1-CG 4.28Å; F119-F325 HydrophobicContact CE2-CB 4.11Å; F119-F325 AromaticContact CE2-CD2 3.55Å; F119-F325 HydrophobicContact CE2-CD2 3.55Å; F119-F325 HydrophobicContact CE2-CE2 4.08Å; F119-F325 AromaticContact CE2-CG 3.8Å; F119-F325 HydrophobicContact CE2-CG 3.8Å; F119-F325 HydrophobicContact CG-CB 4.31Å; F119-F325 AromaticContact CG-CD1 3.63Å; F119-F325 HydrophobicContact CG-CD1 3.63Å; F119-F325 HydrophobicContact CG-CD2 4.08Å; F119-F325 AromaticContact CG-CE1 3.88Å; F119-F325 HydrophobicContact CG-CE1 3.88Å; F119-F325 HydrophobicContact CG-CE2 4.31Å; F119-F325 AromaticContact CG-CG 3.74Å; F119-F325 HydrophobicContact CG-CG 3.74Å; F119-F325 HydrophobicContact CG-CZ 4.22Å; F119-F325 HydrophobicContact CZ-CB 3.94Å; F119-F325 HydrophobicContact CZ-CD2 4.25Å; F119-F325 HydrophobicContact CZ-CG 4.13Å; F119-F326 HydrophobicContact CB-CE2 4.28Å; F119-F326 HydrophobicContact CB-CZ 3.85Å; F119-F326 HydrophobicContact CD1-CE2 4.01Å; F119-F326 HydrophobicContact CD1-CZ 4.44Å; F119-F326 HydrophobicContact CG-CE2 4.49Å; F119-F352 HydrophobicContact CE2-CD1 4.15Å; F119-F352 AromaticContact CE2-CE1 3.98Å; F119-F352 HydrophobicContact CE2-CE1 3.98Å; F119-F352 HydrophobicContact CE2-CE2 4.45Å; F119-F352 HydrophobicContact CE2-CG 4.44Å; F119-F352 HydrophobicContact CE2-CZ 4.1Å; F119-F352 HydrophobicContact CZ-CD1 4.35Å; F119-F352 AromaticContact CZ-CE1 3.73Å; F119-F352 HydrophobicContact CZ-CE1 3.73Å; F119-F352 HydrophobicContact CZ-CE2 4.38Å; F119-F352 AromaticContact CZ-CZ 3.71Å; F119-F352 HydrophobicContact CZ-CZ 3.71Å
120	F	94.9	Very high	92.9	Very high	16 Å²	16	35.5 Å²	35.5	7%	0.07	19%	0.194	C	C	.	.			trans	-88.4	136.8	168.7	-71.8	-95.9	0	0	0	107.7	V117 V136 Q139 L140 Y232 P253 F326	V117-F120 HydrophobicContact CB-CE1 3.98Å; V117-F120 HydrophobicContact CB-CE2 3.96Å; V117-F120 HydrophobicContact CB-CZ 3.68Å; V117-F120 HydrophobicContact CG1-CD1 3.82Å; V117-F120 HydrophobicContact CG1-CD2 3.77Å; V117-F120 HydrophobicContact CG1-CE1 3.75Å; V117-F120 HydrophobicContact CG1-CE2 3.73Å; V117-F120 HydrophobicContact CG1-CG 3.84Å; V117-F120 HydrophobicContact CG1-CZ 3.73Å; V117-F120 HydrophobicContact CG2-CE1 4.31Å; V117-F120 HydrophobicContact CG2-CZ 4.37Å; F120-V136 HydrophobicContact CD1-CG1 4.28Å; F120-V136 HydrophobicContact CE1-CG1 4.37Å; F120-Q139 HydrophobicContact CE1-CG 4.49Å; F120-Q139 HydrophobicContact CZ-CG 4Å; F120-L140 HydrophobicContact CD1-CD2 4.09Å; F120-L140 HydrophobicContact CD1-CG 4.47Å; F120-L140 HydrophobicContact CE1-CD1 4.35Å; F120-L140 HydrophobicContact CE1-CD2 3.55Å; F120-L140 HydrophobicContact CE1-CG 3.82Å; F120-L140 HydrophobicContact CZ-CD2 4.35Å; F120-Y232 HydrophobicContact CB-CE1 3.88Å; F120-Y232 HydrophobicContact CD1-CE2 4.07Å; F120-P253 VanDerWaalsContact O-CG 3.3Å; F120-P253 WeakPolarHBondContact O-CG 3.48Å; F120-F326 WeakPolarHBondContact O-CE1 3.32Å; F120-F326 VanDerWaalsContact O-CZ 3.24Å; F120-F326 WeakPolarHBondContact O-CZ 3.22Å
121	A	92.5	Very high	93.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	19%	0.185	C	C	.	.			trans	-60.1	142.8	-179.8	0	0	0	0	0	110.9	Y82 D123 N126 L127 E355	Y82-A121 HydrophobicContact CE1-CB 3.89Å; A121-D123 WeakPolarHBondContact CB-O 3.37Å; A121-D123 PolarHBondContact O-N 2.9Å; A121-N126 HydrophobicContact CB-CB 4.2Å; A121-L127 HydrophobicContact CB-CD1 4.29Å; A121-L127 HydrophobicContact CB-CD2 3.88Å; A121-L127 HydrophobicContact CB-CG 3.88Å; A121-E355 WeakPolarHBondContact CA-OE1 3.49Å
122	S	87.2	Confident	93.4	Very high	69 Å²	69	34.5 Å²	34.5	48%	0.483	19%	0.185	S	C	.	.	S	Bend	trans	-65.1	-32.9	178.6	66	0	0	0	0	112.4	N126 E355	S122-N126 PolarHBondContact OG-ND2 2.79Å; S122-E355 PolarHBondContact N-OE1 3.33Å; S122-E355 PolarHBondContact OG-OE2 3.14Å
123	D	88.9	Confident	93.5	Very high	66 Å²	66	32.7 Å²	32.7	35%	0.353	17%	0.167	S	C	.	.	S	Bend	trans	-130.9	127.2	173.8	176.5	-19.3	0	0	0	106.3	A121 H125 N126	A121-D123 WeakPolarHBondContact CB-O 3.37Å; A121-D123 PolarHBondContact O-N 2.9Å; D123-H125 PolarHBondContact O-N 3.38Å; D123-H125 WeakPolarHBondContact OD1-CB 3.45Å; D123-H125 IonicContact OD1-CD2 2.75Å; D123-H125 PolarHBondContact OD1-CD2 2.94Å; D123-H125 IonicContact OD1-CG 3.89Å; D123-H125 PolarHBondContact OD1-N 3.5Å; D123-H125 IonicContact OD2-CD2 3.44Å; D123-N126 WeakPolarHBondContact O-CB 3.22Å; D123-N126 VanDerWaalsContact O-CG 3.25Å; D123-N126 PolarHBondContact O-N 3.11Å; D123-N126 PolarHBondContact O-ND2 2.85Å
124	P	89.9	Confident	93.4	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.058	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-63.2	-21.2	179.6	26.9	-35.7	0	0	0	114.6	N126 L127 L223 E224	P124-N126 PolarHBondContact O-N 3.15Å; P124-L127 WeakPolarHBondContact O-CB 3.37Å; P124-L127 PolarHBondContact O-N 2.89Å; P124-L127 VanDerWaalsContact O-N 3.15Å; P124-L223 HydrophobicContact CB-CB 3.61Å; P124-L223 HydrophobicContact CG-CB 4.39Å; P124-E224 HydrophobicContact CG-CG 4.45Å
125	H	88.7	Confident	93.4	Very high	113 Å²	113	31.2 Å²	31.2	52%	0.523	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-67	-17.2	175.6	-60.9	-60.7	0	0	0	113.4	D123 L127 H128 E224	D123-H125 PolarHBondContact O-N 3.38Å; D123-H125 WeakPolarHBondContact OD1-CB 3.45Å; D123-H125 IonicContact OD1-CD2 2.75Å; D123-H125 PolarHBondContact OD1-CD2 2.94Å; D123-H125 IonicContact OD1-CG 3.89Å; D123-H125 PolarHBondContact OD1-N 3.5Å; D123-H125 IonicContact OD2-CD2 3.44Å; H125-L127 PolarHBondContact O-N 2.74Å; H125-H128 PolarHBondContact O-CE1 2.86Å; H125-H128 PolarHBondContact O-ND1 2.81Å; H125-E224 IonicContact CE1-OE1 3.87Å; H125-E224 PolarHBondContact CE1-OE1 2.83Å
126	N	88.4	Confident	93.4	Very high	26 Å²	26	31.2 Å²	31.2	14%	0.139	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-64.7	-20.1	171.5	-70.5	-9.4	0	0	0	113.9	A121 S122 D123 P124 H128 E355 H359	A121-N126 HydrophobicContact CB-CB 4.2Å; S122-N126 PolarHBondContact OG-ND2 2.79Å; D123-N126 WeakPolarHBondContact O-CB 3.22Å; D123-N126 VanDerWaalsContact O-CG 3.25Å; D123-N126 PolarHBondContact O-N 3.11Å; D123-N126 PolarHBondContact O-ND2 2.85Å; P124-N126 PolarHBondContact O-N 3.15Å; N126-H128 PolarHBondContact O-N 2.65Å; N126-E355 PolarHBondContact ND2-OE1 3.01Å; N126-E355 VanDerWaalsContact ND2-OE1 3.12Å; N126-H359 VanDerWaalsContact CB-NE2 3.25Å; N126-H359 WeakPolarHBondContact CB-NE2 3.29Å; N126-H359 PolarHBondContact ND2-CE1 3.16Å; N126-H359 PolarHBondContact OD1-CE1 3.28Å
127	L	92	Very high	93.4	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	14%	0.143	C	C	.	.			trans	-89.1	93.4	179.2	-58.2	-178.8	0	0	0	108.7	Y82 A121 P124 H125 T132 R133 V136 L223	Y82-L127 HydrophobicContact CD1-CD2 4.49Å; Y82-L127 HydrophobicContact CD2-CD2 3.73Å; Y82-L127 HydrophobicContact CE1-CD2 4.22Å; Y82-L127 HydrophobicContact CE2-CD2 3.42Å; Y82-L127 VanDerWaalsContact CE2-CD2 3.42Å; Y82-L127 HydrophobicContact CG-CD2 4.27Å; A121-L127 HydrophobicContact CB-CD1 4.29Å; A121-L127 HydrophobicContact CB-CD2 3.88Å; A121-L127 HydrophobicContact CB-CG 3.88Å; P124-L127 WeakPolarHBondContact O-CB 3.37Å; P124-L127 PolarHBondContact O-N 2.89Å; P124-L127 VanDerWaalsContact O-N 3.15Å; H125-L127 PolarHBondContact O-N 2.74Å; L127-T132 HydrophobicContact CB-CG2 4.37Å; L127-T132 HydrophobicContact CD1-CG2 4.36Å; L127-T132 HydrophobicContact CD2-CG2 3.82Å; L127-T132 HydrophobicContact CG-CG2 4.4Å; L127-R133 HydrophobicContact CB-CG 3.63Å; L127-R133 HydrophobicContact CD1-CG 4.41Å; L127-R133 WeakPolarHBondContact O-CD 3.36Å; L127-R133 WeakPolarHBondContact O-CG 3.22Å; L127-R133 PolarHBondContact O-NH1 2.9Å; L127-V136 HydrophobicContact CD1-CB 4.34Å; L127-V136 HydrophobicContact CD1-CG1 4.4Å; L127-V136 HydrophobicContact CD1-CG2 3.97Å; L127-L223 HydrophobicContact CD1-CD1 4.42Å
128	H	90.8	Very high	93.4	Very high	115 Å²	115	29.1 Å²	29.1	53%	0.532	15%	0.146	S	C	.	.			trans	-80.8	-34	-174.6	-56.2	-34.6	0	0	0	112.1	E79 H125 N126 R133	E79-H128 WeakPolarHBondContact OE1-CA 3.46Å; E79-H128 WeakPolarHBondContact OE1-CB 3.36Å; E79-H128 IonicContact OE1-CG 3.01Å; E79-H128 PolarHBondContact OE1-N 2.98Å; H125-H128 PolarHBondContact O-CE1 2.86Å; H125-H128 PolarHBondContact O-ND1 2.81Å; N126-H128 PolarHBondContact O-N 2.65Å; H128-R133 PolarHBondContact O-NH1 2.91Å
129	D	92	Very high	93.5	Very high	29 Å²	29	28.9 Å²	28.9	16%	0.155	15%	0.145	C	C	.	.			trans	-75.9	136.4	177.4	178.4	56.5	0	0	0	112.6	E78 E79 Y131 T132 R133	E78-D129 HydrophobicContact CB-CB 4.08Å; E79-D129 PolarHBondContact OE1-N 3.23Å; E79-D129 WeakPolarHBondContact OE2-CB 3.3Å; E79-D129 PolarHBondContact OE2-N 2.88Å; D129-Y131 WeakPolarHBondContact OD2-CA 3.47Å; D129-Y131 VanDerWaalsContact OD2-CB 3.22Å; D129-Y131 WeakPolarHBondContact OD2-CB 3.32Å; D129-Y131 PolarHBondContact OD2-N 2.81Å; D129-T132 PolarHBondContact OD2-N 2.92Å; D129-T132 PolarHBondContact OD2-OG1 3.13Å; D129-R133 PolarHBondContact O-N 2.9Å; D129-R133 VanDerWaalsContact O-N 3.14Å; D129-R133 PolarHBondContact O-NH1 2.88Å
130	E	94	Very high	93.6	Very high	50 Å²	50	28.9 Å²	28.9	23%	0.234	15%	0.145	C	C	.	.	H	α-helix	trans	-69.3	-36.1	-178.8	-170.4	-175.2	136.9	0	0	111.7	R133 Y134 A216 F415 R417	E130-R133 PolarHBondContact O-N 2.91Å; E130-Y134 PolarHBondContact O-N 3.5Å; E130-A216 HydrophobicContact CG-CB 3.78Å; E130-F415 HydrophobicContact CB-CE1 4.05Å; E130-F415 HydrophobicContact CG-CE1 3.84Å; E130-F415 HydrophobicContact CG-CZ 4.17Å; E130-R417 IonicContact OE1-CZ 3.84Å; E130-R417 IonicContact OE1-NH1 2.65Å; E130-R417 PolarHBondContact OE1-NH1 3.2Å; E130-R417 IonicContact OE1-NH2 3.61Å; E130-R417 PolarHBondContact OE1-NH2 3.22Å
131	Y	94.4	Very high	93.6	Very high	18 Å²	18	30 Å²	30	7%	0.071	15%	0.149	C	C	.	.	H	α-helix	trans	-71.2	-40	178.8	-173.4	-124.1	0	0	0	111.5	V74 L76 D129 R133 Y134 L135 F415	V74-Y131 HydrophobicContact CB-CE1 4.45Å; V74-Y131 WeakPolarHBondContact O-CE1 3.38Å; V74-Y131 PolarHBondContact O-OH 3.39Å; L76-Y131 HydrophobicContact CB-CE1 4.41Å; D129-Y131 WeakPolarHBondContact OD2-CA 3.47Å; D129-Y131 VanDerWaalsContact OD2-CB 3.22Å; D129-Y131 WeakPolarHBondContact OD2-CB 3.32Å; D129-Y131 PolarHBondContact OD2-N 2.81Å; Y131-R133 PolarHBondContact O-N 2.85Å; Y131-Y134 HydrophobicContact CD2-CD1 4.01Å; Y131-Y134 AromaticContact CE2-CD1 3.94Å; Y131-Y134 HydrophobicContact CE2-CD1 3.94Å; Y131-Y134 HydrophobicContact CE2-CE1 4.39Å; Y131-Y134 PolarHBondContact O-N 3.25Å; Y131-L135 HydrophobicContact CD1-CD1 3.98Å; Y131-L135 HydrophobicContact CD1-CG 4.42Å; Y131-L135 HydrophobicContact CD2-CG 4.38Å; Y131-L135 HydrophobicContact CE1-CD1 3.56Å; Y131-L135 HydrophobicContact CE1-CD2 4.43Å; Y131-L135 HydrophobicContact CE1-CG 4.07Å; Y131-L135 HydrophobicContact CE2-CD1 4.46Å; Y131-L135 HydrophobicContact CE2-CD2 4.07Å; Y131-L135 HydrophobicContact CE2-CG 4.05Å; Y131-L135 WeakPolarHBondContact O-CG 3.49Å; Y131-L135 PolarHBondContact O-N 3.15Å; Y131-F415 HydrophobicContact CD2-CB 3.9Å; Y131-F415 AromaticContact CD2-CD1 3.76Å; Y131-F415 HydrophobicContact CD2-CD1 3.76Å; Y131-F415 AromaticContact CD2-CD2 3.31Å; Y131-F415 HydrophobicContact CD2-CD2 3.31Å; Y131-F415 HydrophobicContact CD2-CE1 4.06Å; Y131-F415 AromaticContact CD2-CE2 3.63Å; Y131-F415 HydrophobicContact CD2-CE2 3.63Å; Y131-F415 AromaticContact CD2-CG 3.37Å; Y131-F415 HydrophobicContact CD2-CG 3.37Å; Y131-F415 AromaticContact CD2-CZ 3.98Å; Y131-F415 HydrophobicContact CD2-CZ 3.98Å; Y131-F415 HydrophobicContact CE2-CB 4.29Å; Y131-F415 AromaticContact CE2-CD2 3.75Å; Y131-F415 HydrophobicContact CE2-CD2 3.75Å; Y131-F415 HydrophobicContact CE2-CE2 4.25Å; Y131-F415 HydrophobicContact CE2-CG 4.06Å; Y131-F415 HydrophobicContact CG-CB 4.4Å; Y131-F415 HydrophobicContact CG-CD1 4.06Å; Y131-F415 HydrophobicContact CG-CD2 4.36Å; Y131-F415 HydrophobicContact CG-CE1 4.4Å; Y131-F415 HydrophobicContact CG-CG 4.02Å
132	T	95	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-54.3	-51.3	169.4	-62.9	0	0	0	0	112	E79 F83 L127 D129 Y134 L135 V136	E79-T132 HydrophobicContact CB-CG2 4.03Å; E79-T132 WeakPolarHBondContact CB-OG1 3.38Å; E79-T132 WeakPolarHBondContact OE2-CB 3.42Å; E79-T132 VanDerWaalsContact OE2-CG2 3.29Å; E79-T132 WeakPolarHBondContact OE2-CG2 3.43Å; E79-T132 PolarHBondContact OE2-OG1 3.02Å; E79-T132 VanDerWaalsContact OE2-OG1 3.07Å; F83-T132 HydrophobicContact CE2-CG2 3.93Å; F83-T132 HydrophobicContact CZ-CG2 4.15Å; L127-T132 HydrophobicContact CB-CG2 4.37Å; L127-T132 HydrophobicContact CD1-CG2 4.36Å; L127-T132 HydrophobicContact CD2-CG2 3.82Å; L127-T132 HydrophobicContact CG-CG2 4.4Å; D129-T132 PolarHBondContact OD2-N 2.92Å; D129-T132 PolarHBondContact OD2-OG1 3.13Å; T132-Y134 PolarHBondContact O-N 3.31Å; T132-L135 PolarHBondContact O-N 2.78Å; T132-V136 HydrophobicContact CG2-CG2 4.48Å; T132-V136 WeakPolarHBondContact O-CG2 3.27Å; T132-V136 PolarHBondContact O-N 2.88Å
133	R	96.1	Very high	94.3	Very high	33 Å²	33	30.8 Å²	30.8	13%	0.125	15%	0.146	C	C	.	.	H	α-helix	trans	-58	-47.7	178.1	-73.6	-166	-56.4	-74.6	-5.2	111.6	L127 H128 D129 E130 Y131 L135 V136 V137 S220 L223	L127-R133 HydrophobicContact CB-CG 3.63Å; L127-R133 HydrophobicContact CD1-CG 4.41Å; L127-R133 WeakPolarHBondContact O-CD 3.36Å; L127-R133 WeakPolarHBondContact O-CG 3.22Å; L127-R133 PolarHBondContact O-NH1 2.9Å; H128-R133 PolarHBondContact O-NH1 2.91Å; D129-R133 PolarHBondContact O-N 2.9Å; D129-R133 VanDerWaalsContact O-N 3.14Å; D129-R133 PolarHBondContact O-NH1 2.88Å; E130-R133 PolarHBondContact O-N 2.91Å; Y131-R133 PolarHBondContact O-N 2.85Å; R133-L135 PolarHBondContact O-N 3.5Å; R133-V136 PolarHBondContact O-N 2.79Å; R133-V137 WeakPolarHBondContact O-CG2 3.36Å; R133-V137 PolarHBondContact O-N 2.93Å; R133-S220 PolarHBondContact NE-OG 3.07Å; R133-L223 HydrophobicContact CB-CD1 3.75Å; R133-L223 HydrophobicContact CG-CD1 3.72Å
134	Y	96.6	Very high	94.7	Very high	14 Å²	14	28.1 Å²	28.1	6%	0.055	13%	0.131	C	C	.	.	H	α-helix	trans	-56.3	-48.1	176.6	171.6	-114.6	0	0	0	112.7	E130 Y131 T132 V136 V137 L138 E219 F415 R417 V418	E130-Y134 PolarHBondContact O-N 3.5Å; Y131-Y134 HydrophobicContact CD2-CD1 4.01Å; Y131-Y134 AromaticContact CE2-CD1 3.94Å; Y131-Y134 HydrophobicContact CE2-CD1 3.94Å; Y131-Y134 HydrophobicContact CE2-CE1 4.39Å; Y131-Y134 PolarHBondContact O-N 3.25Å; T132-Y134 PolarHBondContact O-N 3.31Å; Y134-V136 VanDerWaalsContact C-N 3.33Å; Y134-V136 PolarHBondContact O-N 2.89Å; Y134-V137 PolarHBondContact O-N 2.85Å; Y134-L138 HydrophobicContact CD1-CD1 4.28Å; Y134-L138 HydrophobicContact CD2-CG 4.41Å; Y134-L138 HydrophobicContact CE1-CD1 3.65Å; Y134-L138 HydrophobicContact CE1-CG 4.28Å; Y134-L138 HydrophobicContact CE2-CD1 4.19Å; Y134-L138 HydrophobicContact CE2-CD2 3.93Å; Y134-L138 HydrophobicContact CE2-CG 3.96Å; Y134-L138 WeakPolarHBondContact O-CG 3.41Å; Y134-L138 PolarHBondContact O-N 2.85Å; Y134-E219 VanDerWaalsContact CD2-OE1 3.26Å; Y134-E219 WeakPolarHBondContact CD2-OE1 3.45Å; Y134-F415 HydrophobicContact CD1-CD2 4.16Å; Y134-F415 AromaticContact CD1-CE2 3.45Å; Y134-F415 HydrophobicContact CD1-CE2 3.45Å; Y134-F415 VanDerWaalsContact CD1-CE2 3.45Å; Y134-F415 HydrophobicContact CD1-CZ 4.19Å; Y134-F415 HydrophobicContact CE1-CE2 4.07Å; Y134-F415 AromaticContact CG-CE2 3.7Å; Y134-F415 HydrophobicContact CG-CE2 3.7Å; Y134-F415 HydrophobicContact CG-CZ 4.07Å; Y134-R417 HydrophobicContact CD2-CG 3.97Å; Y134-R417 HydrophobicContact CE1-CG 4.37Å; Y134-R417 HydrophobicContact CE2-CB 4.05Å; Y134-R417 HydrophobicContact CE2-CG 3.79Å; Y134-R417 HydrophobicContact CG-CG 4.34Å; Y134-V418 PolarHBondContact OH-N 3.45Å; Y134-V418 PolarHBondContact OH-O 2.85Å
135	L	96.8	Very high	95	Very high	3 Å²	3	30 Å²	30	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-61.4	-39.1	177.5	-72.2	-179.6	0	0	0	112.6	L48 L76 F83 Y131 T132 R133 L138 Q139	L48-L135 HydrophobicContact CB-CD2 4.2Å; L48-L135 HydrophobicContact CD1-CB 4.1Å; L48-L135 HydrophobicContact CD1-CD2 4.33Å; L76-L135 HydrophobicContact CD1-CD1 4.13Å; L76-L135 HydrophobicContact CD2-CD1 4.41Å; F83-L135 HydrophobicContact CE1-CB 3.7Å; F83-L135 HydrophobicContact CE1-CD1 4.04Å; F83-L135 HydrophobicContact CZ-CB 3.7Å; F83-L135 HydrophobicContact CZ-CD1 3.9Å; F83-L135 HydrophobicContact CZ-CG 4.49Å; Y131-L135 HydrophobicContact CD1-CD1 3.98Å; Y131-L135 HydrophobicContact CD1-CG 4.42Å; Y131-L135 HydrophobicContact CD2-CG 4.38Å; Y131-L135 HydrophobicContact CE1-CD1 3.56Å; Y131-L135 HydrophobicContact CE1-CD2 4.43Å; Y131-L135 HydrophobicContact CE1-CG 4.07Å; Y131-L135 HydrophobicContact CE2-CD1 4.46Å; Y131-L135 HydrophobicContact CE2-CD2 4.07Å; Y131-L135 HydrophobicContact CE2-CG 4.05Å; Y131-L135 WeakPolarHBondContact O-CG 3.49Å; Y131-L135 PolarHBondContact O-N 3.15Å; T132-L135 PolarHBondContact O-N 2.78Å; R133-L135 PolarHBondContact O-N 3.5Å; L135-L138 HydrophobicContact CD2-CD1 4.39Å; L135-L138 PolarHBondContact O-N 3.07Å; L135-Q139 PolarHBondContact O-N 3.22Å; L135-Q139 VanDerWaalsContact O-N 3.13Å
136	V	97.1	Very high	95.3	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-66.4	-41.1	175.9	175.5	0	0	0	0	111	F83 V117 F120 L127 T132 R133 Y134 L138 Q139 L140 L223	F83-V136 HydrophobicContact CE1-CG2 4.46Å; F83-V136 HydrophobicContact CZ-CG2 4.11Å; V117-V136 HydrophobicContact CG2-CB 4.36Å; V117-V136 HydrophobicContact CG2-CG2 3.85Å; F120-V136 HydrophobicContact CD1-CG1 4.28Å; F120-V136 HydrophobicContact CE1-CG1 4.37Å; L127-V136 HydrophobicContact CD1-CB 4.34Å; L127-V136 HydrophobicContact CD1-CG1 4.4Å; L127-V136 HydrophobicContact CD1-CG2 3.97Å; T132-V136 HydrophobicContact CG2-CG2 4.48Å; T132-V136 WeakPolarHBondContact O-CG2 3.27Å; T132-V136 PolarHBondContact O-N 2.88Å; R133-V136 PolarHBondContact O-N 2.79Å; Y134-V136 VanDerWaalsContact C-N 3.33Å; Y134-V136 PolarHBondContact O-N 2.89Å; V136-L138 PolarHBondContact O-N 3.33Å; V136-Q139 PolarHBondContact O-N 3.37Å; V136-L140 HydrophobicContact CG1-CD1 3.63Å; V136-L140 HydrophobicContact CG1-CG 4.38Å; V136-L140 WeakPolarHBondContact O-CD1 3.36Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.26Å; V136-L140 PolarHBondContact O-N 2.97Å; V136-L223 HydrophobicContact CB-CD2 4.35Å; V136-L223 HydrophobicContact CG1-CD2 3.71Å
137	V	97.6	Very high	95.6	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.03	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-43.9	173.4	171.5	0	0	0	0	111.6	R133 Y134 Q139 L140 R141 L164 E219 Y222 L223	R133-V137 WeakPolarHBondContact O-CG2 3.36Å; R133-V137 PolarHBondContact O-N 2.93Å; Y134-V137 PolarHBondContact O-N 2.85Å; V137-Q139 PolarHBondContact O-N 3.22Å; V137-L140 PolarHBondContact O-N 3.04Å; V137-R141 VanDerWaalsContact O-CB 3.29Å; V137-R141 WeakPolarHBondContact O-CB 3.39Å; V137-R141 PolarHBondContact O-N 3.07Å; V137-L164 HydrophobicContact CG1-CD2 3.6Å; V137-E219 HydrophobicContact CG2-CB 4.06Å; V137-E219 HydrophobicContact CG2-CG 4.13Å; V137-Y222 HydrophobicContact CB-CD1 4.36Å; V137-Y222 HydrophobicContact CG1-CD1 3.95Å; V137-Y222 HydrophobicContact CG1-CE1 4.04Å; V137-Y222 HydrophobicContact CG1-CG 4.26Å; V137-Y222 HydrophobicContact CG2-CD1 3.81Å; V137-Y222 HydrophobicContact CG2-CE1 4.41Å; V137-Y222 HydrophobicContact CG2-CG 4.41Å; V137-L223 HydrophobicContact CG2-CD1 4.17Å; V137-L223 HydrophobicContact CG2-CD2 3.76Å; V137-L223 HydrophobicContact CG2-CG 3.71Å
138	L	97.2	Very high	95.6	Very high	20 Å²	20	37.3 Å²	37.3	11%	0.105	18%	0.177	C	C	.	.	H	α-helix	trans	-58.6	-46.3	175.6	-69.8	-178.9	0	0	0	112.3	L48 D49 Y134 L135 V136 E142	L48-L138 HydrophobicContact CB-CB 4.19Å; L48-L138 HydrophobicContact CB-CD1 4.25Å; D49-L138 HydrophobicContact CB-CD1 4.16Å; Y134-L138 HydrophobicContact CD1-CD1 4.28Å; Y134-L138 HydrophobicContact CD2-CG 4.41Å; Y134-L138 HydrophobicContact CE1-CD1 3.65Å; Y134-L138 HydrophobicContact CE1-CG 4.28Å; Y134-L138 HydrophobicContact CE2-CD1 4.19Å; Y134-L138 HydrophobicContact CE2-CD2 3.93Å; Y134-L138 HydrophobicContact CE2-CG 3.96Å; Y134-L138 WeakPolarHBondContact O-CG 3.41Å; Y134-L138 PolarHBondContact O-N 2.85Å; L135-L138 HydrophobicContact CD2-CD1 4.39Å; L135-L138 PolarHBondContact O-N 3.07Å; V136-L138 PolarHBondContact O-N 3.33Å; L138-E142 WeakPolarHBondContact O-CB 3.22Å; L138-E142 PolarHBondContact O-N 2.98Å; L138-E142 VanDerWaalsContact O-N 3.14Å
139	Q	97.5	Very high	95.8	Very high	12 Å²	12	32.1 Å²	32.1	6%	0.056	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-43.4	178	179.1	62.6	96.9	0	0	111.9	L48 V117 F120 L135 V136 V137 E142 D143	L48-Q139 HydrophobicContact CD1-CB 4.41Å; L48-Q139 HydrophobicContact CD2-CB 3.9Å; L48-Q139 HydrophobicContact CD2-CG 4.37Å; V117-Q139 HydrophobicContact CB-CG 4.09Å; V117-Q139 HydrophobicContact CG2-CB 3.73Å; V117-Q139 HydrophobicContact CG2-CG 3.84Å; F120-Q139 HydrophobicContact CE1-CG 4.49Å; F120-Q139 HydrophobicContact CZ-CG 4Å; L135-Q139 PolarHBondContact O-N 3.22Å; L135-Q139 VanDerWaalsContact O-N 3.13Å; V136-Q139 PolarHBondContact O-N 3.37Å; V137-Q139 PolarHBondContact O-N 3.22Å; Q139-E142 PolarHBondContact O-N 2.75Å; Q139-D143 PolarHBondContact NE2-OD1 2.7Å; Q139-D143 VanDerWaalsContact NE2-OD1 3.16Å; Q139-D143 WeakPolarHBondContact O-CB 3.25Å; Q139-D143 PolarHBondContact O-N 3.37Å
140	L	97.5	Very high	95.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-69.5	-41.6	-178.3	-72.1	162.8	0	0	0	112.2	F120 V136 V137 E142 D143 I144 L149 Y222 L223 V226 Y232	F120-L140 HydrophobicContact CD1-CD2 4.09Å; F120-L140 HydrophobicContact CD1-CG 4.47Å; F120-L140 HydrophobicContact CE1-CD1 4.35Å; F120-L140 HydrophobicContact CE1-CD2 3.55Å; F120-L140 HydrophobicContact CE1-CG 3.82Å; F120-L140 HydrophobicContact CZ-CD2 4.35Å; V136-L140 HydrophobicContact CG1-CD1 3.63Å; V136-L140 HydrophobicContact CG1-CG 4.38Å; V136-L140 WeakPolarHBondContact O-CD1 3.36Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.26Å; V136-L140 PolarHBondContact O-N 2.97Å; V137-L140 PolarHBondContact O-N 3.04Å; L140-E142 VanDerWaalsContact C-N 3.34Å; L140-E142 PolarHBondContact O-N 3.07Å; L140-D143 PolarHBondContact O-N 2.7Å; L140-I144 VanDerWaalsContact O-CG1 3.31Å; L140-I144 WeakPolarHBondContact O-CG1 3.39Å; L140-I144 PolarHBondContact O-N 3.38Å; L140-L149 HydrophobicContact CD2-CD2 3.7Å; L140-Y222 HydrophobicContact CB-CE1 4.15Å; L140-L223 HydrophobicContact CD1-CD2 3.64Å; L140-V226 HydrophobicContact CD1-CG1 3.7Å; L140-V226 HydrophobicContact CD2-CG2 4.48Å; L140-Y232 HydrophobicContact CD1-CE2 3.82Å; L140-Y232 HydrophobicContact CD2-CD2 3.87Å; L140-Y232 HydrophobicContact CD2-CE2 3.83Å; L140-Y232 HydrophobicContact CG-CE2 4.49Å
141	R	96.3	Very high	96	Very high	40 Å²	40	31 Å²	31	15%	0.151	15%	0.151	C	C	.	.	H	α-helix	trans	-56	-49.4	172.9	174.1	-167.7	174.3	172.9	8	111.3	V137 D143 I144 H145 L164 Y222 S420	V137-R141 VanDerWaalsContact O-CB 3.29Å; V137-R141 WeakPolarHBondContact O-CB 3.39Å; V137-R141 PolarHBondContact O-N 3.07Å; R141-D143 VanDerWaalsContact C-N 3.33Å; R141-I144 PolarHBondContact O-N 3.18Å; R141-H145 WeakPolarHBondContact O-CB 3.41Å; R141-H145 PolarHBondContact O-N 3.35Å; R141-L164 HydrophobicContact CB-CD1 4.26Å; R141-L164 HydrophobicContact CG-CD1 3.78Å; R141-Y222 WeakPolarHBondContact CA-OH 3.19Å; R141-Y222 PolarHBondContact N-OH 3.07Å; R141-S420 PolarHBondContact NH1-OG 2.94Å; R141-S420 PolarHBondContact NH2-OG 3.24Å
142	E	95.9	Very high	95.9	Very high	76 Å²	76	36.2 Å²	36.2	36%	0.355	18%	0.18	S	C	.	.	H	α-helix	trans	-67.1	-35.7	-179.7	-175.5	72.8	160.8	0	0	111.7	L138 Q139 L140 H145 K146	L138-E142 WeakPolarHBondContact O-CB 3.22Å; L138-E142 PolarHBondContact O-N 2.98Å; L138-E142 VanDerWaalsContact O-N 3.14Å; Q139-E142 PolarHBondContact O-N 2.75Å; L140-E142 VanDerWaalsContact C-N 3.34Å; L140-E142 PolarHBondContact O-N 3.07Å; E142-H145 IonicContact OE2-CD2 3.94Å; E142-K146 VanDerWaalsContact CD-NZ 3.34Å; E142-K146 HydrophobicContact CG-CD 4.14Å; E142-K146 WeakPolarHBondContact O-CB 3.37Å; E142-K146 WeakPolarHBondContact O-CG 3.41Å; E142-K146 PolarHBondContact O-N 3.3Å; E142-K146 WeakPolarHBondContact OE1-CE 3.15Å; E142-K146 IonicContact OE1-NZ 3.93Å; E142-K146 PolarHBondContact OE1-NZ 3.41Å
143	D	96.7	Very high	96	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.059	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-37.8	174.6	-76.5	-20.4	0	0	0	112.3	Q139 L140 R141 G147 K148 L149	Q139-D143 PolarHBondContact NE2-OD1 2.7Å; Q139-D143 VanDerWaalsContact NE2-OD1 3.16Å; Q139-D143 WeakPolarHBondContact O-CB 3.25Å; Q139-D143 PolarHBondContact O-N 3.37Å; L140-D143 PolarHBondContact O-N 2.7Å; R141-D143 VanDerWaalsContact C-N 3.33Å; D143-G147 PolarHBondContact O-N 2.84Å; D143-K148 HydrophobicContact CB-CB 4.27Å; D143-K148 HydrophobicContact CB-CG 4.35Å; D143-K148 WeakPolarHBondContact O-CA 3.48Å; D143-K148 PolarHBondContact O-N 2.82Å; D143-K148 WeakPolarHBondContact OD1-CD 3.48Å; D143-K148 IonicContact OD1-NZ 3.61Å; D143-K148 PolarHBondContact OD1-NZ 3.17Å; D143-K148 VanDerWaalsContact OD1-NZ 3.13Å; D143-K148 IonicContact OD2-NZ 3.08Å; D143-K148 PolarHBondContact OD2-NZ 3.38Å; D143-L149 HydrophobicContact CB-CB 4.03Å; D143-L149 PolarHBondContact O-N 2.83Å
144	I	97.4	Very high	96	Very high	9 Å²	9	42.3 Å²	42.3	5%	0.046	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-49.8	173.9	-68	169.8	0	0	0	110.6	L140 R141 K146 G147 L149 L160 F187 L188 P189 V226 L229	L140-I144 VanDerWaalsContact O-CG1 3.31Å; L140-I144 WeakPolarHBondContact O-CG1 3.39Å; L140-I144 PolarHBondContact O-N 3.38Å; R141-I144 PolarHBondContact O-N 3.18Å; I144-K146 VanDerWaalsContact C-N 3.27Å; I144-K146 PolarHBondContact O-N 3.04Å; I144-G147 PolarHBondContact O-N 3.36Å; I144-L149 HydrophobicContact CD1-CD2 4.31Å; I144-L149 HydrophobicContact CG1-CB 3.95Å; I144-L149 HydrophobicContact CG1-CD2 3.94Å; I144-L149 HydrophobicContact CG1-CG 3.93Å; I144-L160 HydrophobicContact CD1-CD1 4.16Å; I144-F187 WeakPolarHBondContact CG2-O 3.35Å; I144-L188 HydrophobicContact CG2-CD2 3.77Å; I144-P189 WeakPolarHBondContact O-CD 3.45Å; I144-V226 HydrophobicContact CD1-CG2 3.83Å; I144-L229 HydrophobicContact CD1-CD1 4.24Å
145	H	96.3	Very high	96	Very high	48 Å²	48	45.9 Å²	45.9	22%	0.222	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-38.5	179.7	171.2	40.9	0	0	0	112.2	R141 E142 G147 R186 L188 P189	R141-H145 WeakPolarHBondContact O-CB 3.41Å; R141-H145 PolarHBondContact O-N 3.35Å; E142-H145 IonicContact OE2-CD2 3.94Å; H145-G147 VanDerWaalsContact C-N 3.28Å; H145-G147 PolarHBondContact O-N 3.31Å; H145-R186 VanDerWaalsContact CE1-CB 3.46Å; H145-R186 WeakPolarHBondContact CE1-CB 3.37Å; H145-L188 PolarHBondContact ND1-O 2.95Å; H145-L188 CarbonylContact O-C 3.59Å; H145-P189 WeakPolarHBondContact O-CA 3.47Å
146	K	95.3	Very high	96.1	Very high	137 Å²	137	46.9 Å²	46.9	60%	0.596	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.4	175.6	-71.9	177.4	179.3	157.8	0	114.8	E142 I144 K148	E142-K146 VanDerWaalsContact CD-NZ 3.34Å; E142-K146 HydrophobicContact CG-CD 4.14Å; E142-K146 WeakPolarHBondContact O-CB 3.37Å; E142-K146 WeakPolarHBondContact O-CG 3.41Å; E142-K146 PolarHBondContact O-N 3.3Å; E142-K146 WeakPolarHBondContact OE1-CE 3.15Å; E142-K146 IonicContact OE1-NZ 3.93Å; E142-K146 PolarHBondContact OE1-NZ 3.41Å; I144-K146 VanDerWaalsContact C-N 3.27Å; I144-K146 PolarHBondContact O-N 3.04Å; K146-K148 PolarHBondContact O-N 2.83Å
147	G	94.4	Very high	96.1	Very high	33 Å²	33	47.1 Å²	47.1	34%	0.34	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	14.5	-176.6	0	0	0	0	0	114.6	D143 I144 H145	D143-G147 PolarHBondContact O-N 2.84Å; I144-G147 PolarHBondContact O-N 3.36Å; H145-G147 VanDerWaalsContact C-N 3.28Å; H145-G147 PolarHBondContact O-N 3.31Å
148	K	93.9	Very high	96.1	Very high	126 Å²	126	46.9 Å²	46.9	55%	0.548	24%	0.238	S	C	.	.	S	Bend	trans	-73.4	-35.1	172.3	168.5	167.7	166.6	-75.2	0	111.5	D143 K146	D143-K148 HydrophobicContact CB-CB 4.27Å; D143-K148 HydrophobicContact CB-CG 4.35Å; D143-K148 WeakPolarHBondContact O-CA 3.48Å; D143-K148 PolarHBondContact O-N 2.82Å; D143-K148 WeakPolarHBondContact OD1-CD 3.48Å; D143-K148 IonicContact OD1-NZ 3.61Å; D143-K148 PolarHBondContact OD1-NZ 3.17Å; D143-K148 VanDerWaalsContact OD1-NZ 3.13Å; D143-K148 IonicContact OD2-NZ 3.08Å; D143-K148 PolarHBondContact OD2-NZ 3.38Å; K146-K148 PolarHBondContact O-N 2.83Å
149	L	95.1	Very high	96.2	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.031	24%	0.244	C	C	.	.	S	Bend	trans	-109.2	107.5	169.7	178.5	53.4	0	0	0	108.5	L140 D143 I144 C151 V226 L229 D231	L140-L149 HydrophobicContact CD2-CD2 3.7Å; D143-L149 HydrophobicContact CB-CB 4.03Å; D143-L149 PolarHBondContact O-N 2.83Å; I144-L149 HydrophobicContact CD1-CD2 4.31Å; I144-L149 HydrophobicContact CG1-CB 3.95Å; I144-L149 HydrophobicContact CG1-CD2 3.94Å; I144-L149 HydrophobicContact CG1-CG 3.93Å; L149-C151 PolarHBondContact O-N 2.91Å; L149-V226 HydrophobicContact CD2-CG2 3.98Å; L149-L229 HydrophobicContact CD1-CB 4.04Å; L149-L229 HydrophobicContact CD1-CD1 4.12Å; L149-L229 HydrophobicContact CD2-CD1 3.97Å; L149-L229 HydrophobicContact CG-CD1 3.81Å; L149-D231 HydrophobicContact CD1-CB 4.18Å
150	V	93.7	Very high	96.2	Very high	55 Å²	55	48 Å²	48	33%	0.333	24%	0.243	S	C	.	.			trans	-81.5	108.9	-171.2	-175.4	0	0	0	0	110.7	N152	V150-N152 WeakPolarHBondContact CG1-OD1 3.45Å
151	C	95.2	Very high	96.3	Very high	2 Å²	2	48 Å²	48	1%	0.014	24%	0.243	C	C	.	.			trans	-88.1	115.6	163.7	-157	0	0	0	0	109.3	L149 D153 A157 L188 K192 L229	L149-C151 PolarHBondContact O-N 2.91Å; C151-D153 PolarHBondContact SG-O 3.33Å; C151-A157 HydrophobicContact CB-CB 4.34Å; C151-L188 HydrophobicContact CB-CD2 4.46Å; C151-K192 PolarHBondContact O-NZ 2.84Å; C151-L229 HydrophobicContact CB-CD1 4.37Å; C151-L229 HydrophobicContact CB-CD2 4.42Å
152	N	93.2	Very high	96.4	Very high	126 Å²	126	46.2 Å²	46.2	67%	0.674	24%	0.236	S	C	*	.			trans	-97	-32.1	176.5	-74.4	-29.1	0	0	0	112.6	V150 L154 K192	V150-N152 WeakPolarHBondContact CG1-OD1 3.45Å; N152-L154 PolarHBondContact O-N 3.08Å; N152-K192 PolarHBondContact OD1-NZ 2.94Å
153	D	96	Very high	96.5	Very high	87 Å²	87	42.9 Å²	42.9	47%	0.465	22%	0.221	S	C	.	.			trans	-75.4	113.5	169.1	-179.7	-0.1	0	0	0	109.7	C151 Q155 L156 A157	C151-D153 PolarHBondContact SG-O 3.33Å; D153-Q155 WeakPolarHBondContact OD1-CA 3.38Å; D153-Q155 WeakPolarHBondContact OD1-CB 3.47Å; D153-Q155 PolarHBondContact OD1-N 2.85Å; D153-L156 HydrophobicContact CB-CB 3.89Å; D153-L156 PolarHBondContact OD1-N 3.24Å; D153-L156 WeakPolarHBondContact OD2-CB 3.46Å; D153-A157 WeakPolarHBondContact O-CB 3.47Å; D153-A157 PolarHBondContact O-N 2.6Å
154	L	96.4	Very high	96.5	Very high	74 Å²	74	43.6 Å²	43.6	39%	0.387	23%	0.225	S	C	.	.	H	α-helix	trans	-75.2	-23.5	177.7	-65.2	179.2	0	0	0	112.8	N152 A158 L188 F197	N152-L154 PolarHBondContact O-N 3.08Å; L154-A158 WeakPolarHBondContact O-CB 3.19Å; L154-A158 PolarHBondContact O-N 3.23Å; L154-L188 HydrophobicContact CD2-CD1 3.9Å; L154-F197 HydrophobicContact CD2-CD2 4.44Å
155	Q	97.4	Very high	96.5	Very high	90 Å²	90	43.3 Å²	43.3	42%	0.421	22%	0.223	S	C	.	.	H	α-helix	trans	-72.7	-43.3	173.9	-71.2	-61.5	-56.4	0	0	110.9	D153 A158 E159 S200	D153-Q155 WeakPolarHBondContact OD1-CA 3.38Å; D153-Q155 WeakPolarHBondContact OD1-CB 3.47Å; D153-Q155 PolarHBondContact OD1-N 2.85Å; Q155-A158 PolarHBondContact O-N 3.46Å; Q155-E159 WeakPolarHBondContact O-CG 3.25Å; Q155-E159 PolarHBondContact O-N 2.84Å; Q155-S200 PolarHBondContact NE2-OG 3.23Å
156	L	97.6	Very high	96.6	Very high	24 Å²	24	41 Å²	41	13%	0.126	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-44.1	170.2	-179.4	59.9	0	0	0	111.5	D153 A158 E159 L160 K225 L229	D153-L156 HydrophobicContact CB-CB 3.89Å; D153-L156 PolarHBondContact OD1-N 3.24Å; D153-L156 WeakPolarHBondContact OD2-CB 3.46Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 2.83Å; L156-E159 PolarHBondContact O-N 2.92Å; L156-L160 HydrophobicContact CD1-CG 4.43Å; L156-L160 HydrophobicContact CG-CD1 4.28Å; L156-L160 WeakPolarHBondContact O-CG 3.33Å; L156-L160 PolarHBondContact O-N 3.35Å; L156-K225 HydrophobicContact CD1-CB 4.05Å; L156-K225 HydrophobicContact CD1-CG 4.42Å; L156-L229 HydrophobicContact CD2-CD2 3.69Å; L156-L229 HydrophobicContact CD2-CG 4.49Å
157	A	97.9	Very high	96.6	Very high	7 Å²	7	35.2 Å²	35.2	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-38.9	175.1	0	0	0	0	0	112.5	C151 D153 L160 A161 L188 F197	C151-A157 HydrophobicContact CB-CB 4.34Å; D153-A157 WeakPolarHBondContact O-CB 3.47Å; D153-A157 PolarHBondContact O-N 2.6Å; A157-L160 PolarHBondContact O-N 3.44Å; A157-A161 WeakPolarHBondContact O-CB 3.45Å; A157-A161 PolarHBondContact O-N 2.9Å; A157-L188 HydrophobicContact CB-CD1 4.11Å; A157-L188 HydrophobicContact CB-CD2 4.05Å; A157-L188 HydrophobicContact CB-CG 4.45Å; A157-F197 HydrophobicContact CB-CE2 3.72Å; A157-F197 HydrophobicContact CB-CZ 4.29Å
158	A	98.3	Very high	96.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.1	-36.4	177.3	0	0	0	0	0	112.3	L154 Q155 L156 A162 F197 V201 K204	L154-A158 WeakPolarHBondContact O-CB 3.19Å; L154-A158 PolarHBondContact O-N 3.23Å; Q155-A158 PolarHBondContact O-N 3.46Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 2.83Å; A158-A162 VanDerWaalsContact O-CB 3.31Å; A158-A162 WeakPolarHBondContact O-CB 3.35Å; A158-A162 PolarHBondContact O-N 2.84Å; A158-F197 HydrophobicContact CB-CE2 4.11Å; A158-V201 HydrophobicContact CB-CG2 4.12Å; A158-K204 HydrophobicContact CB-CG 3.96Å
159	E	98.1	Very high	96.7	Very high	51 Å²	51	33.4 Å²	33.4	24%	0.238	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-44.6	172.8	-74.6	177.4	-165.7	0	0	112.5	Q155 L156 A161 A162 L163 K204 K225	Q155-E159 WeakPolarHBondContact O-CG 3.25Å; Q155-E159 PolarHBondContact O-N 2.84Å; L156-E159 PolarHBondContact O-N 2.92Å; E159-A161 VanDerWaalsContact C-N 3.34Å; E159-A161 PolarHBondContact O-N 3.35Å; E159-A162 PolarHBondContact O-N 3.39Å; E159-L163 WeakPolarHBondContact O-CG 3.26Å; E159-L163 PolarHBondContact O-N 2.96Å; E159-K204 HydrophobicContact CG-CD 3.59Å; E159-K204 HydrophobicContact CG-CG 4Å; E159-K204 IonicContact OE1-NZ 3.95Å; E159-K204 PolarHBondContact OE1-NZ 2.73Å; E159-K225 WeakPolarHBondContact OE2-CE 3.24Å; E159-K225 IonicContact OE2-NZ 2.67Å; E159-K225 PolarHBondContact OE2-NZ 3.45Å
160	L	98.4	Very high	96.7	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-43.7	175.6	-70.3	174.4	0	0	0	111.3	I144 L156 A157 L163 L164 Y222 K225 V226	I144-L160 HydrophobicContact CD1-CD1 4.16Å; L156-L160 HydrophobicContact CD1-CG 4.43Å; L156-L160 HydrophobicContact CG-CD1 4.28Å; L156-L160 WeakPolarHBondContact O-CG 3.33Å; L156-L160 PolarHBondContact O-N 3.35Å; A157-L160 PolarHBondContact O-N 3.44Å; L160-L163 PolarHBondContact O-N 2.84Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.85Å; L160-L164 VanDerWaalsContact O-N 3.11Å; L160-Y222 HydrophobicContact CB-CD2 4.1Å; L160-Y222 HydrophobicContact CB-CE2 3.73Å; L160-Y222 HydrophobicContact CD2-CD1 4.37Å; L160-Y222 HydrophobicContact CD2-CD2 3.68Å; L160-Y222 HydrophobicContact CD2-CE2 3.83Å; L160-Y222 HydrophobicContact CD2-CG 3.96Å; L160-Y222 HydrophobicContact CG-CE2 4.31Å; L160-Y222 WeakPolarHBondContact O-CD2 3.25Å; L160-Y222 WeakPolarHBondContact O-CE2 3.36Å; L160-K225 HydrophobicContact CD2-CB 3.72Å; L160-V226 HydrophobicContact CD1-CB 4.31Å; L160-V226 HydrophobicContact CD1-CG2 4.26Å; L160-V226 HydrophobicContact CD2-CB 4.02Å
161	A	98.3	Very high	96.8	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-41.2	175.5	0	0	0	0	0	112.8	A157 E159 L163 L164 L165 F187 F197 V201	A157-A161 WeakPolarHBondContact O-CB 3.45Å; A157-A161 PolarHBondContact O-N 2.9Å; E159-A161 VanDerWaalsContact C-N 3.34Å; E159-A161 PolarHBondContact O-N 3.35Å; A161-L163 VanDerWaalsContact C-N 3.35Å; A161-L163 PolarHBondContact O-N 2.81Å; A161-L164 PolarHBondContact O-N 2.82Å; A161-L165 WeakPolarHBondContact O-CG 3.44Å; A161-L165 PolarHBondContact O-N 2.93Å; A161-L165 VanDerWaalsContact O-N 3.09Å; A161-F187 HydrophobicContact CB-CB 4.13Å; A161-F187 HydrophobicContact CB-CD1 3.44Å; A161-F187 VanDerWaalsContact CB-CD1 3.44Å; A161-F187 HydrophobicContact CB-CD2 4.06Å; A161-F187 HydrophobicContact CB-CE1 3.72Å; A161-F187 HydrophobicContact CB-CE2 4.29Å; A161-F187 HydrophobicContact CB-CG 3.62Å; A161-F187 HydrophobicContact CB-CZ 4.13Å; A161-F197 HydrophobicContact CB-CZ 4.46Å; A161-V201 HydrophobicContact CB-CB 4.45Å; A161-V201 HydrophobicContact CB-CG1 3.77Å; A161-V201 HydrophobicContact CB-CG2 3.77Å
162	A	98.2	Very high	96.9	Very high	1 Å²	1	37 Å²	37	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-38.3	175.2	0	0	0	0	0	112.6	A158 E159 L165 Q166 K204 L208	A158-A162 VanDerWaalsContact O-CB 3.31Å; A158-A162 WeakPolarHBondContact O-CB 3.35Å; A158-A162 PolarHBondContact O-N 2.84Å; E159-A162 PolarHBondContact O-N 3.39Å; A162-L165 PolarHBondContact O-N 3Å; A162-Q166 WeakPolarHBondContact O-CB 3.48Å; A162-Q166 PolarHBondContact O-N 3.18Å; A162-K204 HydrophobicContact CB-CB 3.7Å; A162-L208 HydrophobicContact CB-CD1 3.99Å
163	L	98.3	Very high	97	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-66.8	-37.8	175.3	-72.3	162.3	0	0	0	112.5	E159 L160 A161 Q166 G167 L208 L213 I221 Y222 K225	E159-L163 WeakPolarHBondContact O-CG 3.26Å; E159-L163 PolarHBondContact O-N 2.96Å; L160-L163 PolarHBondContact O-N 2.84Å; A161-L163 VanDerWaalsContact C-N 3.35Å; A161-L163 PolarHBondContact O-N 2.81Å; L163-Q166 PolarHBondContact O-N 3.35Å; L163-G167 PolarHBondContact O-N 3.49Å; L163-L208 HydrophobicContact CD2-CD1 4.05Å; L163-L208 HydrophobicContact CD2-CD2 4.44Å; L163-L208 HydrophobicContact CG-CD1 4.32Å; L163-L213 HydrophobicContact CD2-CD1 4.43Å; L163-I221 HydrophobicContact CD1-CB 4.37Å; L163-I221 HydrophobicContact CD1-CG2 3.78Å; L163-I221 HydrophobicContact CD2-CB 4.11Å; L163-I221 HydrophobicContact CD2-CG2 3.92Å; L163-Y222 HydrophobicContact CB-CD2 4.34Å; L163-K225 HydrophobicContact CD1-CD 3.82Å
164	L	97.8	Very high	96.9	Very high	27 Å²	27	37.3 Å²	37.3	14%	0.141	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-43.2	172.4	-68.8	170.5	0	0	0	111.6	V137 R141 L160 A161 G167 E168 F187 Y222	V137-L164 HydrophobicContact CG1-CD2 3.6Å; R141-L164 HydrophobicContact CB-CD1 4.26Å; R141-L164 HydrophobicContact CG-CD1 3.78Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.85Å; L160-L164 VanDerWaalsContact O-N 3.11Å; A161-L164 PolarHBondContact O-N 2.82Å; L164-G167 PolarHBondContact O-N 2.88Å; L164-E168 PolarHBondContact O-N 2.92Å; L164-E168 VanDerWaalsContact O-N 3.12Å; L164-F187 HydrophobicContact CD1-CD1 4.29Å; L164-Y222 HydrophobicContact CD1-CE2 3.79Å; L164-Y222 HydrophobicContact CD2-CD2 4.03Å; L164-Y222 HydrophobicContact CD2-CE2 3.78Å; L164-Y222 HydrophobicContact CG-CD2 3.92Å; L164-Y222 HydrophobicContact CG-CE2 3.58Å
165	L	97.6	Very high	96.7	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-44	177.3	-68.4	171.8	0	0	0	112.2	A161 A162 G167 E168 F169 F181 I182 F185 F187 V201 Y205	A161-L165 WeakPolarHBondContact O-CG 3.44Å; A161-L165 PolarHBondContact O-N 2.93Å; A161-L165 VanDerWaalsContact O-N 3.09Å; A162-L165 PolarHBondContact O-N 3Å; L165-G167 VanDerWaalsContact C-N 3.29Å; L165-G167 PolarHBondContact O-N 3.48Å; L165-E168 PolarHBondContact O-N 2.72Å; L165-F169 HydrophobicContact CD2-CD2 3.92Å; L165-F169 HydrophobicContact CD2-CE2 3.9Å; L165-F169 PolarHBondContact O-N 2.73Å; L165-F181 HydrophobicContact CD2-CE1 4.2Å; L165-I182 HydrophobicContact CD1-CD1 3.37Å; L165-F185 HydrophobicContact CD2-CD2 3.82Å; L165-F185 HydrophobicContact CD2-CE2 3.66Å; L165-F185 HydrophobicContact CD2-CG 4.32Å; L165-F185 HydrophobicContact CD2-CZ 4.03Å; L165-F187 HydrophobicContact CD1-CZ 4Å; L165-F187 HydrophobicContact CD2-CZ 4.13Å; L165-F187 HydrophobicContact CG-CE1 4.37Å; L165-F187 HydrophobicContact CG-CZ 4.02Å; L165-V201 HydrophobicContact CD1-CG1 3.85Å; L165-Y205 HydrophobicContact CB-CD1 4.04Å; L165-Y205 HydrophobicContact CB-CD2 4.45Å; L165-Y205 HydrophobicContact CB-CE1 3.87Å; L165-Y205 HydrophobicContact CB-CE2 4.33Å; L165-Y205 HydrophobicContact CB-CG 4.34Å; L165-Y205 HydrophobicContact CD1-CD1 3.96Å; L165-Y205 HydrophobicContact CD1-CE1 4.37Å
166	Q	97.5	Very high	96.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-40.6	173.9	179.5	70.7	38.1	0	0	111.7	A162 L163 G170 D171 Y205 L208 L213 S218	A162-Q166 WeakPolarHBondContact O-CB 3.48Å; A162-Q166 PolarHBondContact O-N 3.18Å; L163-Q166 PolarHBondContact O-N 3.35Å; Q166-G170 WeakPolarHBondContact O-CA 3.08Å; Q166-G170 PolarHBondContact O-N 2.92Å; Q166-G170 PolarHBondContact OE1-O 3.05Å; Q166-D171 PolarHBondContact NE2-OD1 3.35Å; Q166-Y205 HydrophobicContact CB-CD2 4.47Å; Q166-Y205 HydrophobicContact CB-CE2 4.11Å; Q166-L208 HydrophobicContact CB-CD1 3.93Å; Q166-L208 HydrophobicContact CG-CD1 4.33Å; Q166-L213 HydrophobicContact CG-CB 3.94Å; Q166-L213 HydrophobicContact CG-CD1 4.27Å; Q166-L213 PolarHBondContact NE2-O 3.12Å; Q166-S218 WeakPolarHBondContact CG-OG 3.4Å
167	G	95.8	Very high	96.4	Very high	14 Å²	14	43.5 Å²	43.5	14%	0.144	21%	0.213	C	C	.	.	H	α-helix	trans	-70.5	-27.3	178.1	0	0	0	0	0	114.8	L163 L164 L165 P215	L163-G167 PolarHBondContact O-N 3.49Å; L164-G167 PolarHBondContact O-N 2.88Å; L165-G167 VanDerWaalsContact C-N 3.29Å; L165-G167 PolarHBondContact O-N 3.48Å; G167-P215 WeakPolarHBondContact O-CB 3.37Å; G167-P215 WeakPolarHBondContact O-CG 3.22Å
168	E	95.3	Very high	96.3	Very high	60 Å²	60	44.9 Å²	44.9	28%	0.28	22%	0.221	S	C	.	.	H	α-helix	trans	-95.1	-38.1	-179.2	-173.5	176.6	163.7	0	0	113.7	L164 L165 P419 S420	L164-E168 PolarHBondContact O-N 2.92Å; L164-E168 VanDerWaalsContact O-N 3.12Å; L165-E168 PolarHBondContact O-N 2.72Å; E168-P419 WeakPolarHBondContact OE1-CA 3.33Å; E168-S420 VanDerWaalsContact CD-N 3.31Å; E168-S420 WeakPolarHBondContact OE1-CB 3.49Å; E168-S420 PolarHBondContact OE1-N 3.42Å; E168-S420 WeakPolarHBondContact OE2-CB 3.43Å; E168-S420 PolarHBondContact OE2-N 2.87Å; E168-S420 PolarHBondContact OE2-OG 3.47Å
169	F	95.4	Very high	96.2	Very high	62 Å²	62	46.7 Å²	46.7	27%	0.272	23%	0.232	S	C	.	.	H	α-helix	trans	-113.4	-7.5	-172.3	-58.7	-71.1	0	0	0	114	L165 F181 F185	L165-F169 HydrophobicContact CD2-CD2 3.92Å; L165-F169 HydrophobicContact CD2-CE2 3.9Å; L165-F169 PolarHBondContact O-N 2.73Å; F169-F181 HydrophobicContact CD1-CZ 4.12Å; F169-F181 HydrophobicContact CD2-CE1 4.36Å; F169-F181 AromaticContact CD2-CZ 3.79Å; F169-F181 HydrophobicContact CD2-CZ 3.79Å; F169-F181 HydrophobicContact CE1-CZ 4.2Å; F169-F181 AromaticContact CE2-CZ 3.86Å; F169-F181 HydrophobicContact CE2-CZ 3.86Å; F169-F181 AromaticContact CG-CZ 3.94Å; F169-F181 HydrophobicContact CG-CZ 3.94Å; F169-F181 HydrophobicContact CZ-CZ 4.08Å; F169-F185 HydrophobicContact CD2-CZ 4.46Å; F169-F185 AromaticContact CE2-CE1 3.83Å; F169-F185 HydrophobicContact CE2-CE1 3.83Å; F169-F185 HydrophobicContact CE2-CE2 4.25Å; F169-F185 AromaticContact CE2-CZ 3.37Å; F169-F185 HydrophobicContact CE2-CZ 3.37Å; F169-F185 AromaticContact CZ-CE1 3.91Å; F169-F185 HydrophobicContact CZ-CE1 3.91Å; F169-F185 AromaticContact CZ-CZ 3.53Å; F169-F185 HydrophobicContact CZ-CZ 3.53Å
170	G	95.1	Very high	96.1	Very high	28 Å²	28	45.2 Å²	45.2	29%	0.289	23%	0.226	S	C	.	.			trans	75.7	-156	-174.3	0	0	0	0	0	112.5	Q166 Y205	Q166-G170 WeakPolarHBondContact O-CA 3.08Å; Q166-G170 PolarHBondContact O-N 2.92Å; Q166-G170 PolarHBondContact OE1-O 3.05Å; G170-Y205 VanDerWaalsContact O-CE2 3.3Å; G170-Y205 WeakPolarHBondContact O-CE2 3.48Å; G170-Y205 PolarHBondContact O-OH 2.92Å
171	D	95.3	Very high	96	Very high	57 Å²	57	46.2 Å²	46.2	31%	0.305	23%	0.231	S	C	.	.	S	Bend	trans	-61.4	153.4	-179.1	-86	38.4	0	0	0	113.1	Q166 D173 G210	Q166-D171 PolarHBondContact NE2-OD1 3.35Å; D171-D173 PolarHBondContact O-N 2.93Å; D171-G210 PolarHBondContact OD2-N 3.28Å
172	Y	96.7	Very high	96	Very high	52 Å²	52	46.1 Å²	46.1	20%	0.204	23%	0.23	C	C	.	.			trans	-65.7	120	-177.8	171.1	-94.5	0	0	0	113.5	K174 H177 L202 Y205 K206	Y172-K174 HydrophobicContact CE1-CB 3.97Å; Y172-H177 HydrophobicContact CD2-CB 3.69Å; Y172-H177 HydrophobicContact CE2-CB 3.62Å; Y172-H177 WeakPolarHBondContact CE2-O 3.35Å; Y172-L202 HydrophobicContact CD2-CD1 4.42Å; Y172-L202 HydrophobicContact CE2-CD1 3.67Å; Y172-Y205 HydrophobicContact CD2-CD1 4.11Å; Y172-Y205 HydrophobicContact CD2-CE1 4.39Å; Y172-Y205 HydrophobicContact CD2-CG 4.47Å; Y172-K206 HydrophobicContact CD1-CG 3.9Å; Y172-K206 HydrophobicContact CD2-CG 3.99Å; Y172-K206 HydrophobicContact CE1-CD 4.5Å; Y172-K206 HydrophobicContact CE1-CG 3.7Å; Y172-K206 HydrophobicContact CE2-CG 3.81Å; Y172-K206 HydrophobicContact CG-CG 4.04Å
173	D	95.4	Very high	95.9	Very high	53 Å²	53	46.1 Å²	46.1	28%	0.283	23%	0.23	S	C	.	.			trans	-105	119.2	165.3	178.8	4.7	0	0	0	111.1	D171 K175 Q176 H177	D171-D173 PolarHBondContact O-N 2.93Å; D173-K175 PolarHBondContact O-N 3.15Å; D173-K175 VanDerWaalsContact O-N 3.13Å; D173-K175 WeakPolarHBondContact OD1-CB 3.36Å; D173-K175 PolarHBondContact OD1-N 3.33Å; D173-Q176 HydrophobicContact CB-CB 4.33Å; D173-Q176 HydrophobicContact CB-CG 4.46Å; D173-Q176 PolarHBondContact O-N 2.99Å; D173-Q176 WeakPolarHBondContact OD2-CG 3.34Å; D173-Q176 PolarHBondContact OD2-NE2 3.18Å; D173-H177 PolarHBondContact N-ND1 3.46Å; D173-H177 WeakPolarHBondContact O-CB 3.42Å; D173-H177 PolarHBondContact O-N 2.91Å
174	K	93.5	Very high	95.8	Very high	167 Å²	167	46.8 Å²	46.8	73%	0.726	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.9	176.2	-175.6	178	176.7	-176.5	0	113.5	Y172	Y172-K174 HydrophobicContact CE1-CB 3.97Å
175	K	92.3	Very high	95.8	Very high	188 Å²	188	45.5 Å²	45.5	82%	0.817	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-21	179.9	-63.3	178	-178.7	174.6	0	113.6	D173	D173-K175 PolarHBondContact O-N 3.15Å; D173-K175 VanDerWaalsContact O-N 3.13Å; D173-K175 WeakPolarHBondContact OD1-CB 3.36Å; D173-K175 PolarHBondContact OD1-N 3.33Å
176	Q	93.7	Very high	95.7	Very high	125 Å²	125	46.7 Å²	46.7	58%	0.584	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-35.9	-174	-64.9	-179.4	66.3	0	0	112.3	D173 T178	D173-Q176 HydrophobicContact CB-CB 4.33Å; D173-Q176 HydrophobicContact CB-CG 4.46Å; D173-Q176 PolarHBondContact O-N 2.99Å; D173-Q176 WeakPolarHBondContact OD2-CG 3.34Å; D173-Q176 PolarHBondContact OD2-NE2 3.18Å; Q176-T178 PolarHBondContact O-N 3.33Å
177	H	95.6	Very high	95.7	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.028	23%	0.234	C	C	.	.			trans	-101.1	75.4	-171.4	-56	154.7	0	0	0	110.5	Y172 D173 F181 L202 Y205	Y172-H177 HydrophobicContact CD2-CB 3.69Å; Y172-H177 HydrophobicContact CE2-CB 3.62Å; Y172-H177 WeakPolarHBondContact CE2-O 3.35Å; D173-H177 PolarHBondContact N-ND1 3.46Å; D173-H177 WeakPolarHBondContact O-CB 3.42Å; D173-H177 PolarHBondContact O-N 2.91Å; H177-F181 HydrophobicContact CB-CD1 4.3Å; H177-F181 HydrophobicContact CB-CE1 4.48Å; H177-F181 AromaticContact CD2-CD1 3.84Å; H177-F181 AromaticContact CD2-CE1 3.42Å; H177-F181 VanDerWaalsContact CD2-CE1 3.42Å; H177-F181 WeakPolarHBondContact CD2-CE1 3.4Å; H177-F181 AromaticContact CD2-CE2 3.88Å; H177-F181 AromaticContact CD2-CZ 3.45Å; H177-F181 VanDerWaalsContact CD2-CZ 3.45Å; H177-F181 WeakPolarHBondContact CD2-CZ 3.49Å; H177-F181 AromaticContact NE2-CZ 3.77Å; H177-L202 WeakPolarHBondContact O-CD1 2.99Å; H177-Y205 HydrophobicContact CB-CE1 4.14Å; H177-Y205 AromaticContact CE1-CE1 3.84Å; H177-Y205 AromaticContact CE1-CZ 3.8Å; H177-Y205 PolarHBondContact CE1-OH 3.33Å; H177-Y205 AromaticContact CG-CE1 3.71Å; H177-Y205 AromaticContact ND1-CE1 3.28Å; H177-Y205 VanDerWaalsContact ND1-CE1 3.28Å; H177-Y205 WeakPolarHBondContact ND1-CE1 3.35Å; H177-Y205 AromaticContact ND1-CZ 3.57Å; H177-Y205 PolarHBondContact ND1-OH 3.02Å
178	T	95.6	Very high	95.8	Very high	36 Å²	36	46.6 Å²	46.6	22%	0.221	23%	0.228	C	C	.	.			trans	-90.6	166.1	174.5	73.3	0	0	0	0	111.5	Q176 V180 F181 I182 E433	Q176-T178 PolarHBondContact O-N 3.33Å; T178-V180 PolarHBondContact O-N 3.03Å; T178-V180 PolarHBondContact OG1-N 3.36Å; T178-F181 WeakPolarHBondContact O-CB 3.43Å; T178-F181 PolarHBondContact O-N 3.14Å; T178-F181 PolarHBondContact OG1-N 2.85Å; T178-I182 WeakPolarHBondContact O-CG1 3.36Å; T178-I182 PolarHBondContact O-N 2.96Å; T178-I182 VanDerWaalsContact O-N 3.09Å; T178-E433 PolarHBondContact OG1-OE1 2.94Å; T178-E433 VanDerWaalsContact OG1-OE1 3.06Å
179	P	96.2	Very high	95.8	Very high	37 Å²	37	44.6 Å²	44.6	24%	0.24	22%	0.219	C	C	.	.	H	α-helix	trans	-54.7	-33.5	171.1	-24.1	32.8	0	0	0	113	I182 S183 L199 L202 F429	P179-I182 PolarHBondContact O-N 3.05Å; P179-S183 PolarHBondContact O-N 3.05Å; P179-S183 PolarHBondContact O-OG 3.03Å; P179-L199 HydrophobicContact CB-CD2 4.16Å; P179-L199 HydrophobicContact CG-CD2 3.99Å; P179-L202 HydrophobicContact CB-CD2 4.47Å; P179-L202 HydrophobicContact CG-CD2 3.68Å; P179-F429 HydrophobicContact CB-CB 4.26Å; P179-F429 HydrophobicContact CB-CD1 3.58Å; P179-F429 HydrophobicContact CB-CD2 3.75Å; P179-F429 HydrophobicContact CB-CE1 3.67Å; P179-F429 HydrophobicContact CB-CE2 3.83Å; P179-F429 HydrophobicContact CB-CG 3.63Å; P179-F429 HydrophobicContact CB-CZ 3.79Å; P179-F429 VanDerWaalsContact O-CD2 3.29Å; P179-F429 WeakPolarHBondContact O-CD2 3.36Å
180	V	96.4	Very high	95.8	Very high	20 Å²	20	47.1 Å²	47.1	12%	0.121	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-47.9	173.9	177.6	0	0	0	0	110.5	T178 I182 S183 T184 F429 E433	T178-V180 PolarHBondContact O-N 3.03Å; T178-V180 PolarHBondContact OG1-N 3.36Å; V180-I182 PolarHBondContact O-N 2.77Å; V180-S183 PolarHBondContact O-N 2.96Å; V180-S183 PolarHBondContact O-OG 2.96Å; V180-T184 WeakPolarHBondContact O-CG2 3.49Å; V180-T184 PolarHBondContact O-N 3.34Å; V180-F429 HydrophobicContact CG2-CB 3.61Å; V180-E433 HydrophobicContact CG2-CB 4.11Å; V180-E433 HydrophobicContact CG2-CG 4.5Å; V180-E433 WeakPolarHBondContact CG2-OE2 3.47Å
181	F	96.6	Very high	95.8	Very high	27 Å²	27	53.2 Å²	53.2	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-56.8	-48.1	174.3	171.6	-89	0	0	0	112.4	L165 F169 H177 T178 S183 T184 F185 R422	L165-F181 HydrophobicContact CD2-CE1 4.2Å; F169-F181 HydrophobicContact CD1-CZ 4.12Å; F169-F181 HydrophobicContact CD2-CE1 4.36Å; F169-F181 AromaticContact CD2-CZ 3.79Å; F169-F181 HydrophobicContact CD2-CZ 3.79Å; F169-F181 HydrophobicContact CE1-CZ 4.2Å; F169-F181 AromaticContact CE2-CZ 3.86Å; F169-F181 HydrophobicContact CE2-CZ 3.86Å; F169-F181 AromaticContact CG-CZ 3.94Å; F169-F181 HydrophobicContact CG-CZ 3.94Å; F169-F181 HydrophobicContact CZ-CZ 4.08Å; H177-F181 HydrophobicContact CB-CD1 4.3Å; H177-F181 HydrophobicContact CB-CE1 4.48Å; H177-F181 AromaticContact CD2-CD1 3.84Å; H177-F181 AromaticContact CD2-CE1 3.42Å; H177-F181 VanDerWaalsContact CD2-CE1 3.42Å; H177-F181 WeakPolarHBondContact CD2-CE1 3.4Å; H177-F181 AromaticContact CD2-CE2 3.88Å; H177-F181 AromaticContact CD2-CZ 3.45Å; H177-F181 VanDerWaalsContact CD2-CZ 3.45Å; H177-F181 WeakPolarHBondContact CD2-CZ 3.49Å; H177-F181 AromaticContact NE2-CZ 3.77Å; T178-F181 WeakPolarHBondContact O-CB 3.43Å; T178-F181 PolarHBondContact O-N 3.14Å; T178-F181 PolarHBondContact OG1-N 2.85Å; F181-S183 VanDerWaalsContact C-N 3.33Å; F181-S183 PolarHBondContact O-N 2.68Å; F181-T184 WeakPolarHBondContact O-CB 3.36Å; F181-T184 PolarHBondContact O-N 3.41Å; F181-T184 PolarHBondContact O-OG1 2.71Å; F181-F185 AromaticContact CD1-CE2 3.91Å; F181-F185 HydrophobicContact CD1-CE2 3.91Å; F181-F185 AromaticContact CE1-CE2 3.58Å; F181-F185 HydrophobicContact CE1-CE2 3.58Å; F181-F185 HydrophobicContact CE1-CZ 4.15Å; F181-F185 HydrophobicContact CE2-CE2 4.27Å; F181-F185 HydrophobicContact CE2-CZ 4.31Å; F181-F185 HydrophobicContact CG-CE2 4.38Å; F181-F185 AromaticContact CZ-CE2 3.78Å; F181-F185 HydrophobicContact CZ-CE2 3.78Å; F181-F185 AromaticContact CZ-CZ 3.89Å; F181-F185 HydrophobicContact CZ-CZ 3.89Å; F181-F185 WeakPolarHBondContact O-CD2 3.34Å; F181-F185 WeakPolarHBondContact O-CE2 3.24Å; F181-R422 VanDerWaalsContact CE2-NH1 3.3Å
182	I	97.4	Very high	95.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-42.8	-179.9	-56.6	-67	0	0	0	111.2	L165 T178 P179 V180 T184 F185 F187 E198 V201 L202 Y205	L165-I182 HydrophobicContact CD1-CD1 3.37Å; T178-I182 WeakPolarHBondContact O-CG1 3.36Å; T178-I182 PolarHBondContact O-N 2.96Å; T178-I182 VanDerWaalsContact O-N 3.09Å; P179-I182 PolarHBondContact O-N 3.05Å; V180-I182 PolarHBondContact O-N 2.77Å; I182-T184 PolarHBondContact O-N 2.68Å; I182-T184 VanDerWaalsContact O-N 3.11Å; I182-F185 WeakPolarHBondContact O-CD2 3.26Å; I182-F185 PolarHBondContact O-N 3.36Å; I182-F187 HydrophobicContact CG2-CE2 4.18Å; I182-E198 HydrophobicContact CG2-CB 4.34Å; I182-V201 HydrophobicContact CG2-CB 4.05Å; I182-V201 HydrophobicContact CG2-CG1 3.85Å; I182-L202 HydrophobicContact CD1-CD1 4.24Å; I182-L202 HydrophobicContact CG1-CB 4.14Å; I182-L202 HydrophobicContact CG1-CD1 4.01Å; I182-Y205 HydrophobicContact CD1-CD1 4.31Å
183	S	96.6	Very high	95.7	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-6.1	177.8	72.5	0	0	0	0	115	P179 V180 F181 R186 E198 S425 R426	P179-S183 PolarHBondContact O-N 3.05Å; P179-S183 PolarHBondContact O-OG 3.03Å; V180-S183 PolarHBondContact O-N 2.96Å; V180-S183 PolarHBondContact O-OG 2.96Å; F181-S183 VanDerWaalsContact C-N 3.33Å; F181-S183 PolarHBondContact O-N 2.68Å; S183-R186 PolarHBondContact O-NH2 2.92Å; S183-E198 WeakPolarHBondContact CB-OE2 3.49Å; S183-S425 VanDerWaalsContact OG-CA 3.3Å; S183-S425 WeakPolarHBondContact OG-CA 3.37Å; S183-S425 VanDerWaalsContact OG-CB 3.23Å; S183-S425 WeakPolarHBondContact OG-CB 3.31Å; S183-R426 PolarHBondContact OG-N 2.98Å
184	T	96.8	Very high	95.7	Very high	20 Å²	20	50.8 Å²	50.8	12%	0.123	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-9.9	169	71.9	0	0	0	0	113.2	V180 F181 I182 R422 F423	V180-T184 WeakPolarHBondContact O-CG2 3.49Å; V180-T184 PolarHBondContact O-N 3.34Å; F181-T184 WeakPolarHBondContact O-CB 3.36Å; F181-T184 PolarHBondContact O-N 3.41Å; F181-T184 PolarHBondContact O-OG1 2.71Å; I182-T184 PolarHBondContact O-N 2.68Å; I182-T184 VanDerWaalsContact O-N 3.11Å; T184-R422 CarbonylContact O-C 3.59Å; T184-R422 WeakPolarHBondContact O-CA 3.47Å; T184-R422 PolarHBondContact OG1-NH1 2.79Å; T184-R422 VanDerWaalsContact OG1-NH1 3.14Å; T184-F423 WeakPolarHBondContact CA-O 3.1Å; T184-F423 WeakPolarHBondContact CB-O 3.11Å; T184-F423 PolarHBondContact O-N 2.98Å
185	F	97.2	Very high	95.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-103.4	163	177.2	-56.1	-79.7	0	0	0	111.5	L165 F169 F181 I182 F187 Q193 R422	L165-F185 HydrophobicContact CD2-CD2 3.82Å; L165-F185 HydrophobicContact CD2-CE2 3.66Å; L165-F185 HydrophobicContact CD2-CG 4.32Å; L165-F185 HydrophobicContact CD2-CZ 4.03Å; F169-F185 HydrophobicContact CD2-CZ 4.46Å; F169-F185 AromaticContact CE2-CE1 3.83Å; F169-F185 HydrophobicContact CE2-CE1 3.83Å; F169-F185 HydrophobicContact CE2-CE2 4.25Å; F169-F185 AromaticContact CE2-CZ 3.37Å; F169-F185 HydrophobicContact CE2-CZ 3.37Å; F169-F185 AromaticContact CZ-CE1 3.91Å; F169-F185 HydrophobicContact CZ-CE1 3.91Å; F169-F185 AromaticContact CZ-CZ 3.53Å; F169-F185 HydrophobicContact CZ-CZ 3.53Å; F181-F185 AromaticContact CD1-CE2 3.91Å; F181-F185 HydrophobicContact CD1-CE2 3.91Å; F181-F185 AromaticContact CE1-CE2 3.58Å; F181-F185 HydrophobicContact CE1-CE2 3.58Å; F181-F185 HydrophobicContact CE1-CZ 4.15Å; F181-F185 HydrophobicContact CE2-CE2 4.27Å; F181-F185 HydrophobicContact CE2-CZ 4.31Å; F181-F185 HydrophobicContact CG-CE2 4.38Å; F181-F185 AromaticContact CZ-CE2 3.78Å; F181-F185 HydrophobicContact CZ-CE2 3.78Å; F181-F185 AromaticContact CZ-CZ 3.89Å; F181-F185 HydrophobicContact CZ-CZ 3.89Å; F181-F185 WeakPolarHBondContact O-CD2 3.34Å; F181-F185 WeakPolarHBondContact O-CE2 3.24Å; I182-F185 WeakPolarHBondContact O-CD2 3.26Å; I182-F185 PolarHBondContact O-N 3.36Å; F185-F187 HydrophobicContact CB-CD2 4.35Å; F185-F187 HydrophobicContact CB-CE1 4.08Å; F185-F187 HydrophobicContact CB-CE2 3.62Å; F185-F187 HydrophobicContact CB-CZ 3.47Å; F185-F187 VanDerWaalsContact CB-CZ 3.47Å; F185-F187 HydrophobicContact CD2-CZ 4.27Å; F185-F187 HydrophobicContact CG-CZ 4.05Å; F185-Q193 PolarHBondContact O-NE2 2.81Å; F185-R422 HydrophobicContact CE1-CG 4.31Å
186	R	96.1	Very high	96.1	Very high	27 Å²	27	41.9 Å²	41.9	10%	0.102	21%	0.207	C	C	.	.			trans	-123	124.4	170.3	-59.5	-69	139.5	153.5	-5.3	108.4	H145 S183 E190 F423 T424	H145-R186 VanDerWaalsContact CE1-CB 3.46Å; H145-R186 WeakPolarHBondContact CE1-CB 3.37Å; S183-R186 PolarHBondContact O-NH2 2.92Å; R186-E190 IonicContact CZ-OE2 3.13Å; R186-E190 IonicContact NH1-OE1 2.62Å; R186-E190 PolarHBondContact NH1-OE1 3.22Å; R186-E190 IonicContact NH1-OE2 3.89Å; R186-E190 PolarHBondContact NH1-OE2 2.9Å; R186-F423 HydrophobicContact CB-CD2 4.45Å; R186-F423 HydrophobicContact CB-CE2 4.14Å; R186-F423 HydrophobicContact CG-CD1 4.25Å; R186-F423 HydrophobicContact CG-CD2 3.61Å; R186-F423 HydrophobicContact CG-CE1 4.26Å; R186-F423 HydrophobicContact CG-CE2 3.63Å; R186-F423 HydrophobicContact CG-CG 3.93Å; R186-F423 HydrophobicContact CG-CZ 3.96Å; R186-T424 PolarHBondContact NH2-O 3.34Å
187	F	97.1	Very high	96.3	Very high	11 Å²	11	36.3 Å²	36.3	5%	0.048	18%	0.18	C	C	.	.			trans	-118.9	-35.2	-175.2	-57.5	-73.8	0	0	0	111.6	I144 A161 L164 L165 I182 F185 F197 V201	I144-F187 WeakPolarHBondContact CG2-O 3.35Å; A161-F187 HydrophobicContact CB-CB 4.13Å; A161-F187 HydrophobicContact CB-CD1 3.44Å; A161-F187 VanDerWaalsContact CB-CD1 3.44Å; A161-F187 HydrophobicContact CB-CD2 4.06Å; A161-F187 HydrophobicContact CB-CE1 3.72Å; A161-F187 HydrophobicContact CB-CE2 4.29Å; A161-F187 HydrophobicContact CB-CG 3.62Å; A161-F187 HydrophobicContact CB-CZ 4.13Å; L164-F187 HydrophobicContact CD1-CD1 4.29Å; L165-F187 HydrophobicContact CD1-CZ 4Å; L165-F187 HydrophobicContact CD2-CZ 4.13Å; L165-F187 HydrophobicContact CG-CE1 4.37Å; L165-F187 HydrophobicContact CG-CZ 4.02Å; I182-F187 HydrophobicContact CG2-CE2 4.18Å; F185-F187 HydrophobicContact CB-CD2 4.35Å; F185-F187 HydrophobicContact CB-CE1 4.08Å; F185-F187 HydrophobicContact CB-CE2 3.62Å; F185-F187 HydrophobicContact CB-CZ 3.47Å; F185-F187 VanDerWaalsContact CB-CZ 3.47Å; F185-F187 HydrophobicContact CD2-CZ 4.27Å; F185-F187 HydrophobicContact CG-CZ 4.05Å; F187-F197 HydrophobicContact CB-CE1 4.12Å; F187-F197 HydrophobicContact CB-CZ 4.21Å; F187-F197 HydrophobicContact CD2-CE1 4.2Å; F187-V201 HydrophobicContact CE2-CG1 4.26Å; F187-V201 HydrophobicContact CZ-CG1 4.42Å
188	L	97.4	Very high	96.4	Very high	3 Å²	3	36 Å²	36	2%	0.016	18%	0.179	C	C	.	.	S	Bend	trans	-122.2	172.9	-178.5	-70.2	177.9	0	0	0	110	I144 H145 C151 L154 A157 K192 Q193 F197	I144-L188 HydrophobicContact CG2-CD2 3.77Å; H145-L188 PolarHBondContact ND1-O 2.95Å; H145-L188 CarbonylContact O-C 3.59Å; C151-L188 HydrophobicContact CB-CD2 4.46Å; L154-L188 HydrophobicContact CD2-CD1 3.9Å; A157-L188 HydrophobicContact CB-CD1 4.11Å; A157-L188 HydrophobicContact CB-CD2 4.05Å; A157-L188 HydrophobicContact CB-CG 4.45Å; L188-K192 HydrophobicContact CB-CB 4.12Å; L188-K192 HydrophobicContact CD1-CB 4.06Å; L188-Q193 HydrophobicContact CB-CB 4.32Å; L188-F197 HydrophobicContact CD1-CD1 4.11Å; L188-F197 HydrophobicContact CD1-CD2 3.84Å; L188-F197 HydrophobicContact CD1-CE1 3.82Å; L188-F197 HydrophobicContact CD1-CE2 3.54Å; L188-F197 HydrophobicContact CD1-CG 4.12Å; L188-F197 HydrophobicContact CD1-CZ 3.52Å; L188-F197 HydrophobicContact CG-CE1 4.16Å; L188-F197 HydrophobicContact CG-CE2 4.35Å; L188-F197 HydrophobicContact CG-CZ 3.89Å
189	P	96.8	Very high	96.5	Very high	17 Å²	17	37.1 Å²	37.1	11%	0.11	18%	0.183	C	C	.	.			trans	-57.9	151	161.8	-24.7	36.9	0	0	0	111.2	I144 H145 E191 K192 Q193	I144-P189 WeakPolarHBondContact O-CD 3.45Å; H145-P189 WeakPolarHBondContact O-CA 3.47Å; P189-E191 HydrophobicContact CB-CG 4.39Å; P189-E191 WeakPolarHBondContact CB-OE1 2.99Å; P189-E191 VanDerWaalsContact CB-OE2 3.31Å; P189-E191 WeakPolarHBondContact CB-OE2 3.36Å; P189-E191 PolarHBondContact O-N 3.05Å; P189-K192 PolarHBondContact O-N 2.91Å; P189-Q193 PolarHBondContact O-N 3.37Å
190	E	94	Very high	96.6	Very high	116 Å²	116	36.5 Å²	36.5	54%	0.542	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-35	-172.4	-165.4	69.4	-169.5	0	0	112.1	R186 K192 Q193	R186-E190 IonicContact CZ-OE2 3.13Å; R186-E190 IonicContact NH1-OE1 2.62Å; R186-E190 PolarHBondContact NH1-OE1 3.22Å; R186-E190 IonicContact NH1-OE2 3.89Å; R186-E190 PolarHBondContact NH1-OE2 2.9Å; E190-K192 VanDerWaalsContact C-N 3.26Å; E190-K192 PolarHBondContact O-N 2.86Å; E190-Q193 PolarHBondContact O-N 2.87Å
191	E	94.7	Very high	96.7	Very high	155 Å²	155	35.5 Å²	35.5	72%	0.724	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.5	177.1	67.8	-83.7	-167.8	0	0	114.5	P189	P189-E191 HydrophobicContact CB-CG 4.39Å; P189-E191 WeakPolarHBondContact CB-OE1 2.99Å; P189-E191 VanDerWaalsContact CB-OE2 3.31Å; P189-E191 WeakPolarHBondContact CB-OE2 3.36Å; P189-E191 PolarHBondContact O-N 3.05Å
192	K	95.1	Very high	96.8	Very high	59 Å²	59	34.6 Å²	34.6	26%	0.257	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-17.7	175.8	-75.2	-174.1	168.9	-175.6	0	113.1	C151 N152 L188 P189 E190 T194	C151-K192 PolarHBondContact O-NZ 2.84Å; N152-K192 PolarHBondContact OD1-NZ 2.94Å; L188-K192 HydrophobicContact CB-CB 4.12Å; L188-K192 HydrophobicContact CD1-CB 4.06Å; P189-K192 PolarHBondContact O-N 2.91Å; E190-K192 VanDerWaalsContact C-N 3.26Å; E190-K192 PolarHBondContact O-N 2.86Å; K192-T194 PolarHBondContact O-N 3.16Å; K192-T194 VanDerWaalsContact O-N 3.07Å
193	Q	95.3	Very high	96.8	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.014	19%	0.193	C	C	.	.			trans	-83.7	79.1	-179.9	-171.2	163.2	-37.8	0	0	111.1	F185 L188 P189 E190 F197 E198 R426	F185-Q193 PolarHBondContact O-NE2 2.81Å; L188-Q193 HydrophobicContact CB-CB 4.32Å; P189-Q193 PolarHBondContact O-N 3.37Å; E190-Q193 PolarHBondContact O-N 2.87Å; Q193-F197 HydrophobicContact CG-CD1 4.06Å; Q193-F197 HydrophobicContact CG-CE1 4.37Å; Q193-E198 HydrophobicContact CG-CG 4.12Å; Q193-E198 WeakPolarHBondContact CG-OE1 3.38Å; Q193-E198 PolarHBondContact NE2-OE1 2.59Å; Q193-R426 PolarHBondContact O-NH2 2.91Å
194	T	96.4	Very high	96.9	Very high	49 Å²	49	41.2 Å²	41.2	30%	0.301	20%	0.203	S	C	.	.			trans	-86.3	173.7	179.1	80.3	0	0	0	0	113.1	K192 E196 F197 E198	K192-T194 PolarHBondContact O-N 3.16Å; K192-T194 VanDerWaalsContact O-N 3.07Å; T194-E196 VanDerWaalsContact C-N 3.34Å; T194-E196 WeakPolarHBondContact CB-OE2 3.49Å; T194-E196 PolarHBondContact OG1-N 3.13Å; T194-E196 PolarHBondContact OG1-OE2 2.62Å; T194-F197 PolarHBondContact O-N 3.1Å; T194-F197 PolarHBondContact OG1-N 2.98Å; T194-E198 WeakPolarHBondContact O-CG 3.37Å; T194-E198 PolarHBondContact O-N 2.79Å; T194-E198 VanDerWaalsContact O-N 3.15Å
195	E	96.3	Very high	96.9	Very high	38 Å²	38	40.3 Å²	40.3	18%	0.178	20%	0.197	C	C	.	.	H	α-helix	trans	-66.3	-39.2	175.4	-168.4	174.3	137.8	0	0	111.2	F197 E198 L199 S428 F429 R432	E195-F197 VanDerWaalsContact C-N 3.35Å; E195-E198 PolarHBondContact O-N 2.75Å; E195-L199 WeakPolarHBondContact O-CG 3.32Å; E195-L199 PolarHBondContact O-N 2.91Å; E195-S428 WeakPolarHBondContact OE2-CB 3.46Å; E195-S428 PolarHBondContact OE2-OG 3.28Å; E195-F429 HydrophobicContact CB-CZ 4.45Å; E195-F429 HydrophobicContact CG-CD1 4.14Å; E195-F429 HydrophobicContact CG-CE1 3.29Å; E195-F429 HydrophobicContact CG-CE2 4.25Å; E195-F429 HydrophobicContact CG-CZ 3.37Å; E195-R432 IonicContact OE1-CZ 2.86Å; E195-R432 VanDerWaalsContact OE1-CZ 3.22Å; E195-R432 IonicContact OE1-NH1 3.49Å; E195-R432 PolarHBondContact OE1-NH1 3.05Å; E195-R432 IonicContact OE1-NH2 3.93Å; E195-R432 PolarHBondContact OE1-NH2 3.45Å
196	E	97	Very high	97	Very high	131 Å²	131	44.1 Å²	44.1	61%	0.612	21%	0.214	S	C	*	.	H	α-helix	trans	-65.1	-39.3	178.1	-53.6	72.5	-157.5	0	0	111.1	T194 L199 S200	T194-E196 VanDerWaalsContact C-N 3.34Å; T194-E196 WeakPolarHBondContact CB-OE2 3.49Å; T194-E196 PolarHBondContact OG1-N 3.13Å; T194-E196 PolarHBondContact OG1-OE2 2.62Å; E196-L199 PolarHBondContact O-N 3.15Å; E196-S200 WeakPolarHBondContact O-CB 3.19Å; E196-S200 PolarHBondContact O-N 2.95Å
197	F	98.1	Very high	97	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-48.6	172.5	172.2	-100.4	0	0	0	111.4	L154 A157 A158 A161 F187 L188 Q193 T194 E195 L199 S200 V201	L154-F197 HydrophobicContact CD2-CD2 4.44Å; A157-F197 HydrophobicContact CB-CE2 3.72Å; A157-F197 HydrophobicContact CB-CZ 4.29Å; A158-F197 HydrophobicContact CB-CE2 4.11Å; A161-F197 HydrophobicContact CB-CZ 4.46Å; F187-F197 HydrophobicContact CB-CE1 4.12Å; F187-F197 HydrophobicContact CB-CZ 4.21Å; F187-F197 HydrophobicContact CD2-CE1 4.2Å; L188-F197 HydrophobicContact CD1-CD1 4.11Å; L188-F197 HydrophobicContact CD1-CD2 3.84Å; L188-F197 HydrophobicContact CD1-CE1 3.82Å; L188-F197 HydrophobicContact CD1-CE2 3.54Å; L188-F197 HydrophobicContact CD1-CG 4.12Å; L188-F197 HydrophobicContact CD1-CZ 3.52Å; L188-F197 HydrophobicContact CG-CE1 4.16Å; L188-F197 HydrophobicContact CG-CE2 4.35Å; L188-F197 HydrophobicContact CG-CZ 3.89Å; Q193-F197 HydrophobicContact CG-CD1 4.06Å; Q193-F197 HydrophobicContact CG-CE1 4.37Å; T194-F197 PolarHBondContact O-N 3.1Å; T194-F197 PolarHBondContact OG1-N 2.98Å; E195-F197 VanDerWaalsContact C-N 3.35Å; F197-L199 VanDerWaalsContact C-N 3.29Å; F197-L199 PolarHBondContact O-N 3.12Å; F197-S200 CarbonylContact O-C 3.57Å; F197-S200 WeakPolarHBondContact O-CA 3.18Å; F197-S200 WeakPolarHBondContact O-CB 3.31Å; F197-S200 PolarHBondContact O-N 3.3Å; F197-V201 HydrophobicContact CD1-CG2 4.14Å; F197-V201 HydrophobicContact CD2-CG2 4.42Å; F197-V201 HydrophobicContact CE1-CG2 3.62Å; F197-V201 HydrophobicContact CE2-CG2 3.92Å; F197-V201 HydrophobicContact CZ-CG2 3.5Å; F197-V201 WeakPolarHBondContact O-CG2 3.39Å; F197-V201 PolarHBondContact O-N 3.43Å
198	E	98	Very high	96.9	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-33.9	179.7	-71.4	170.2	171	0	0	112.6	I182 S183 Q193 T194 E195 L202 R426 F429	I182-E198 HydrophobicContact CG2-CB 4.34Å; S183-E198 WeakPolarHBondContact CB-OE2 3.49Å; Q193-E198 HydrophobicContact CG-CG 4.12Å; Q193-E198 WeakPolarHBondContact CG-OE1 3.38Å; Q193-E198 PolarHBondContact NE2-OE1 2.59Å; T194-E198 WeakPolarHBondContact O-CG 3.37Å; T194-E198 PolarHBondContact O-N 2.79Å; T194-E198 VanDerWaalsContact O-N 3.15Å; E195-E198 PolarHBondContact O-N 2.75Å; E198-L202 PolarHBondContact O-N 3.48Å; E198-R426 VanDerWaalsContact CD-NH2 3.26Å; E198-R426 IonicContact OE1-CZ 2.71Å; E198-R426 IonicContact OE1-NE 3.8Å; E198-R426 IonicContact OE1-NH2 2.65Å; E198-R426 PolarHBondContact OE1-NH2 3.44Å; E198-R426 IonicContact OE2-CZ 2.75Å; E198-R426 IonicContact OE2-NE 2.76Å; E198-R426 PolarHBondContact OE2-NE 2.91Å; E198-R426 IonicContact OE2-NH2 3.22Å; E198-R426 PolarHBondContact OE2-NH2 2.86Å; E198-R426 VanDerWaalsContact OE2-NH2 3.14Å; E198-F429 HydrophobicContact CB-CE2 3.75Å; E198-F429 HydrophobicContact CB-CZ 4Å; E198-F429 VanDerWaalsContact OE2-CE2 3.23Å; E198-F429 WeakPolarHBondContact OE2-CE2 3.33Å
199	L	97.7	Very high	96.7	Very high	60 Å²	60	48 Å²	48	31%	0.314	25%	0.252	S	S	.	.	H	α-helix	trans	-68.1	-41.7	169.3	-68.7	174	0	0	0	112.2	P179 E195 E196 F197 V201 L202 D203 F429	P179-L199 HydrophobicContact CB-CD2 4.16Å; P179-L199 HydrophobicContact CG-CD2 3.99Å; E195-L199 WeakPolarHBondContact O-CG 3.32Å; E195-L199 PolarHBondContact O-N 2.91Å; E196-L199 PolarHBondContact O-N 3.15Å; F197-L199 VanDerWaalsContact C-N 3.29Å; F197-L199 PolarHBondContact O-N 3.12Å; L199-V201 VanDerWaalsContact C-N 3.33Å; L199-V201 PolarHBondContact O-N 3.29Å; L199-L202 WeakPolarHBondContact O-CB 3.46Å; L199-L202 PolarHBondContact O-N 3.12Å; L199-L202 VanDerWaalsContact O-N 3.15Å; L199-D203 PolarHBondContact O-N 2.85Å; L199-F429 HydrophobicContact CD1-CE1 4.37Å; L199-F429 HydrophobicContact CD2-CE1 3.78Å; L199-F429 HydrophobicContact CD2-CZ 3.97Å; L199-F429 HydrophobicContact CG-CE1 3.95Å; L199-F429 HydrophobicContact CG-CZ 3.9Å
200	S	98.3	Very high	96.2	Very high	23 Å²	23	49.9 Å²	49.9	16%	0.161	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-37.5	176.1	-167.5	0	0	0	0	112.2	Q155 E196 F197 L202 D203 K204	Q155-S200 PolarHBondContact NE2-OG 3.23Å; E196-S200 WeakPolarHBondContact O-CB 3.19Å; E196-S200 PolarHBondContact O-N 2.95Å; F197-S200 CarbonylContact O-C 3.57Å; F197-S200 WeakPolarHBondContact O-CA 3.18Å; F197-S200 WeakPolarHBondContact O-CB 3.31Å; F197-S200 PolarHBondContact O-N 3.3Å; S200-L202 VanDerWaalsContact C-N 3.33Å; S200-D203 PolarHBondContact O-N 3.43Å; S200-K204 VanDerWaalsContact O-CG 3.29Å; S200-K204 WeakPolarHBondContact O-CG 3.42Å; S200-K204 PolarHBondContact O-N 3.18Å
201	V	98.5	Very high	96.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-45.6	172.4	175	0	0	0	0	110.5	A158 A161 L165 I182 F187 F197 L199 D203 K204 Y205	A158-V201 HydrophobicContact CB-CG2 4.12Å; A161-V201 HydrophobicContact CB-CB 4.45Å; A161-V201 HydrophobicContact CB-CG1 3.77Å; A161-V201 HydrophobicContact CB-CG2 3.77Å; L165-V201 HydrophobicContact CD1-CG1 3.85Å; I182-V201 HydrophobicContact CG2-CB 4.05Å; I182-V201 HydrophobicContact CG2-CG1 3.85Å; F187-V201 HydrophobicContact CE2-CG1 4.26Å; F187-V201 HydrophobicContact CZ-CG1 4.42Å; F197-V201 HydrophobicContact CD1-CG2 4.14Å; F197-V201 HydrophobicContact CD2-CG2 4.42Å; F197-V201 HydrophobicContact CE1-CG2 3.62Å; F197-V201 HydrophobicContact CE2-CG2 3.92Å; F197-V201 HydrophobicContact CZ-CG2 3.5Å; F197-V201 WeakPolarHBondContact O-CG2 3.39Å; F197-V201 PolarHBondContact O-N 3.43Å; L199-V201 VanDerWaalsContact C-N 3.33Å; L199-V201 PolarHBondContact O-N 3.29Å; V201-D203 VanDerWaalsContact C-N 3.35Å; V201-D203 PolarHBondContact O-N 2.65Å; V201-K204 PolarHBondContact O-N 3.05Å; V201-Y205 WeakPolarHBondContact O-CB 3.37Å; V201-Y205 PolarHBondContact O-N 2.81Å
202	L	98	Very high	95.9	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-42.7	178.3	-179.5	60.7	0	0	0	112	Y172 H177 P179 I182 E198 L199 S200 Y205 K206	Y172-L202 HydrophobicContact CD2-CD1 4.42Å; Y172-L202 HydrophobicContact CE2-CD1 3.67Å; H177-L202 WeakPolarHBondContact O-CD1 2.99Å; P179-L202 HydrophobicContact CB-CD2 4.47Å; P179-L202 HydrophobicContact CG-CD2 3.68Å; I182-L202 HydrophobicContact CD1-CD1 4.24Å; I182-L202 HydrophobicContact CG1-CB 4.14Å; I182-L202 HydrophobicContact CG1-CD1 4.01Å; E198-L202 PolarHBondContact O-N 3.48Å; L199-L202 WeakPolarHBondContact O-CB 3.46Å; L199-L202 PolarHBondContact O-N 3.12Å; L199-L202 VanDerWaalsContact O-N 3.15Å; S200-L202 VanDerWaalsContact C-N 3.33Å; L202-Y205 PolarHBondContact O-N 3.12Å; L202-K206 WeakPolarHBondContact O-CG 3.25Å; L202-K206 PolarHBondContact O-N 2.75Å
203	D	98	Very high	95.9	Very high	89 Å²	89	49.4 Å²	49.4	48%	0.476	27%	0.271	S	S	.	.	H	α-helix	trans	-72.8	-37	-179.9	-69.2	-24	0	0	0	112.8	L199 S200 V201 Y205 K206 A207	L199-D203 PolarHBondContact O-N 2.85Å; S200-D203 PolarHBondContact O-N 3.43Å; V201-D203 VanDerWaalsContact C-N 3.35Å; V201-D203 PolarHBondContact O-N 2.65Å; D203-Y205 VanDerWaalsContact C-N 3.31Å; D203-Y205 PolarHBondContact O-N 2.97Å; D203-K206 PolarHBondContact O-N 3.42Å; D203-K206 IonicContact OD1-NZ 2.77Å; D203-K206 PolarHBondContact OD1-NZ 3.24Å; D203-A207 PolarHBondContact O-N 3.08Å; D203-A207 VanDerWaalsContact O-N 3.12Å
204	K	98.1	Very high	95.9	Very high	50 Å²	50	53.1 Å²	53.1	22%	0.217	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-38.4	169.1	-66.1	-63.5	-171.5	167.3	0	111.4	A158 E159 A162 S200 V201 A207 L208	A158-K204 HydrophobicContact CB-CG 3.96Å; E159-K204 HydrophobicContact CG-CD 3.59Å; E159-K204 HydrophobicContact CG-CG 4Å; E159-K204 IonicContact OE1-NZ 3.95Å; E159-K204 PolarHBondContact OE1-NZ 2.73Å; A162-K204 HydrophobicContact CB-CB 3.7Å; S200-K204 VanDerWaalsContact O-CG 3.29Å; S200-K204 WeakPolarHBondContact O-CG 3.42Å; S200-K204 PolarHBondContact O-N 3.18Å; V201-K204 PolarHBondContact O-N 3.05Å; K204-A207 PolarHBondContact O-N 3.24Å; K204-L208 PolarHBondContact O-N 3.49Å
205	Y	97.9	Very high	95.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.6	-42.2	177.8	-173.2	-159.6	0	0	0	112.2	L165 Q166 G170 Y172 H177 I182 V201 L202 D203 A207 L208	L165-Y205 HydrophobicContact CB-CD1 4.04Å; L165-Y205 HydrophobicContact CB-CD2 4.45Å; L165-Y205 HydrophobicContact CB-CE1 3.87Å; L165-Y205 HydrophobicContact CB-CE2 4.33Å; L165-Y205 HydrophobicContact CB-CG 4.34Å; L165-Y205 HydrophobicContact CD1-CD1 3.96Å; L165-Y205 HydrophobicContact CD1-CE1 4.37Å; Q166-Y205 HydrophobicContact CB-CD2 4.47Å; Q166-Y205 HydrophobicContact CB-CE2 4.11Å; G170-Y205 VanDerWaalsContact O-CE2 3.3Å; G170-Y205 WeakPolarHBondContact O-CE2 3.48Å; G170-Y205 PolarHBondContact O-OH 2.92Å; Y172-Y205 HydrophobicContact CD2-CD1 4.11Å; Y172-Y205 HydrophobicContact CD2-CE1 4.39Å; Y172-Y205 HydrophobicContact CD2-CG 4.47Å; H177-Y205 HydrophobicContact CB-CE1 4.14Å; H177-Y205 AromaticContact CE1-CE1 3.84Å; H177-Y205 AromaticContact CE1-CZ 3.8Å; H177-Y205 PolarHBondContact CE1-OH 3.33Å; H177-Y205 AromaticContact CG-CE1 3.71Å; H177-Y205 AromaticContact ND1-CE1 3.28Å; H177-Y205 VanDerWaalsContact ND1-CE1 3.28Å; H177-Y205 WeakPolarHBondContact ND1-CE1 3.35Å; H177-Y205 AromaticContact ND1-CZ 3.57Å; H177-Y205 PolarHBondContact ND1-OH 3.02Å; I182-Y205 HydrophobicContact CD1-CD1 4.31Å; V201-Y205 WeakPolarHBondContact O-CB 3.37Å; V201-Y205 PolarHBondContact O-N 2.81Å; L202-Y205 PolarHBondContact O-N 3.12Å; D203-Y205 VanDerWaalsContact C-N 3.31Å; D203-Y205 PolarHBondContact O-N 2.97Å; Y205-A207 PolarHBondContact O-N 3.44Å; Y205-L208 PolarHBondContact O-N 3.42Å; Y205-L208 VanDerWaalsContact O-N 3.11Å
206	K	97.5	Very high	95.9	Very high	80 Å²	80	52 Å²	52	35%	0.348	29%	0.292	S	S	.	.	H	α-helix	trans	-55	-40.4	169.5	-69.4	167.7	-166.3	154.7	0	112.2	Y172 L202 D203 L208 A209	Y172-K206 HydrophobicContact CD1-CG 3.9Å; Y172-K206 HydrophobicContact CD2-CG 3.99Å; Y172-K206 HydrophobicContact CE1-CD 4.5Å; Y172-K206 HydrophobicContact CE1-CG 3.7Å; Y172-K206 HydrophobicContact CE2-CG 3.81Å; Y172-K206 HydrophobicContact CG-CG 4.04Å; L202-K206 WeakPolarHBondContact O-CG 3.25Å; L202-K206 PolarHBondContact O-N 2.75Å; D203-K206 PolarHBondContact O-N 3.42Å; D203-K206 IonicContact OD1-NZ 2.77Å; D203-K206 PolarHBondContact OD1-NZ 3.24Å; K206-L208 PolarHBondContact O-N 3.14Å; K206-A209 VanDerWaalsContact O-CB 3.26Å; K206-A209 WeakPolarHBondContact O-CB 3.26Å; K206-A209 PolarHBondContact O-N 3.07Å; K206-A209 VanDerWaalsContact O-N 3.16Å
207	A	96.6	Very high	95.8	Very high	60 Å²	60	47.3 Å²	47.3	50%	0.496	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-6.8	-179.4	0	0	0	0	0	115	D203 K204 Y205 R211	D203-A207 PolarHBondContact O-N 3.08Å; D203-A207 VanDerWaalsContact O-N 3.12Å; K204-A207 PolarHBondContact O-N 3.24Å; Y205-A207 PolarHBondContact O-N 3.44Å; A207-R211 PolarHBondContact O-NE 3.31Å; A207-R211 VanDerWaalsContact O-NE 3.15Å; A207-R211 PolarHBondContact O-NH2 3.37Å
208	L	96.2	Very high	95.8	Very high	19 Å²	19	47 Å²	47	10%	0.099	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-17.3	169.9	-64.1	177.5	0	0	0	113	A162 L163 Q166 K204 Y205 K206 R211 L213	A162-L208 HydrophobicContact CB-CD1 3.99Å; L163-L208 HydrophobicContact CD2-CD1 4.05Å; L163-L208 HydrophobicContact CD2-CD2 4.44Å; L163-L208 HydrophobicContact CG-CD1 4.32Å; Q166-L208 HydrophobicContact CB-CD1 3.93Å; Q166-L208 HydrophobicContact CG-CD1 4.33Å; K204-L208 PolarHBondContact O-N 3.49Å; Y205-L208 PolarHBondContact O-N 3.42Å; Y205-L208 VanDerWaalsContact O-N 3.11Å; K206-L208 PolarHBondContact O-N 3.14Å; L208-R211 VanDerWaalsContact O-CB 3.26Å; L208-R211 WeakPolarHBondContact O-CB 3.44Å; L208-R211 VanDerWaalsContact O-CG 3.27Å; L208-R211 WeakPolarHBondContact O-CG 3.26Å; L208-R211 PolarHBondContact O-N 3.33Å; L208-L213 HydrophobicContact CD2-CD1 4.12Å
209	A	91.7	Very high	95.7	Very high	44 Å²	44	47.6 Å²	47.6	36%	0.364	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	142.5	-179.2	0	0	0	0	0	112.5	K206 R211	K206-A209 VanDerWaalsContact O-CB 3.26Å; K206-A209 WeakPolarHBondContact O-CB 3.26Å; K206-A209 PolarHBondContact O-N 3.07Å; K206-A209 VanDerWaalsContact O-N 3.16Å; A209-R211 PolarHBondContact O-N 2.93Å
210	G	87.4	Confident	95.7	Very high	57 Å²	57	46.3 Å²	46.3	59%	0.588	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-4.1	-177.7	0	0	0	0	0	114.6	D171 N212	D171-G210 PolarHBondContact OD2-N 3.28Å; G210-N212 VanDerWaalsContact C-N 3.31Å; G210-N212 PolarHBondContact O-ND2 2.82Å
211	R	92	Very high	95.6	Very high	158 Å²	158	47.4 Å²	47.4	60%	0.596	28%	0.277	S	S	*	.	S	Bend	trans	-79.4	-13.1	172.6	-60.8	-177.7	-171.6	-140.4	0.1	113.1	A207 L208 A209 L213	A207-R211 PolarHBondContact O-NE 3.31Å; A207-R211 VanDerWaalsContact O-NE 3.15Å; A207-R211 PolarHBondContact O-NH2 3.37Å; L208-R211 VanDerWaalsContact O-CB 3.26Å; L208-R211 WeakPolarHBondContact O-CB 3.44Å; L208-R211 VanDerWaalsContact O-CG 3.27Å; L208-R211 WeakPolarHBondContact O-CG 3.26Å; L208-R211 PolarHBondContact O-N 3.33Å; A209-R211 PolarHBondContact O-N 2.93Å; R211-L213 VanDerWaalsContact C-N 3.26Å; R211-L213 HydrophobicContact CB-CD1 4.4Å; R211-L213 HydrophobicContact CB-CD2 4.44Å; R211-L213 HydrophobicContact CB-CG 3.9Å; R211-L213 PolarHBondContact O-N 3.23Å
212	N	89.7	Confident	95.6	Very high	132 Å²	132	47.6 Å²	47.6	71%	0.706	28%	0.278	S	S	*	.			trans	53	40.5	-179.1	-55.2	-66.7	0	0	0	113	G210 T214	G210-N212 VanDerWaalsContact C-N 3.31Å; G210-N212 PolarHBondContact O-ND2 2.82Å; N212-T214 PolarHBondContact O-N 3.25Å
213	L	95.5	Very high	95.6	Very high	30 Å²	30	47.3 Å²	47.3	16%	0.157	28%	0.276	C	S	.	.			trans	-70.7	119.5	-178.5	-66.5	176.1	0	0	0	110.3	L163 Q166 L208 R211 A217 I221	L163-L213 HydrophobicContact CD2-CD1 4.43Å; Q166-L213 HydrophobicContact CG-CB 3.94Å; Q166-L213 HydrophobicContact CG-CD1 4.27Å; Q166-L213 PolarHBondContact NE2-O 3.12Å; L208-L213 HydrophobicContact CD2-CD1 4.12Å; R211-L213 VanDerWaalsContact C-N 3.26Å; R211-L213 HydrophobicContact CB-CD1 4.4Å; R211-L213 HydrophobicContact CB-CD2 4.44Å; R211-L213 HydrophobicContact CB-CG 3.9Å; R211-L213 PolarHBondContact O-N 3.23Å; L213-A217 HydrophobicContact CD2-CB 4.25Å; L213-I221 HydrophobicContact CD1-CD1 4.11Å; L213-I221 HydrophobicContact CD2-CD1 3.81Å
214	T	95.6	Very high	95.5	Very high	80 Å²	80	46.6 Å²	46.6	49%	0.491	27%	0.27	S	S	.	.			trans	-68.7	158.9	169.7	66.9	0	0	0	0	110.4	N212 A216 A217 S218	N212-T214 PolarHBondContact O-N 3.25Å; T214-A216 VanDerWaalsContact C-N 3.26Å; T214-A216 PolarHBondContact O-N 3.4Å; T214-A217 PolarHBondContact O-N 3.2Å; T214-A217 WeakPolarHBondContact OG1-CB 3.38Å; T214-A217 PolarHBondContact OG1-N 3.29Å; T214-S218 PolarHBondContact O-N 2.96Å; T214-S218 PolarHBondContact O-OG 2.85Å
215	P	96.2	Very high	95.5	Very high	49 Å²	49	47.1 Å²	47.1	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-53.3	-42.5	175.4	-29.1	37.2	0	0	0	113.3	G167 A217 S218 E219	G167-P215 WeakPolarHBondContact O-CB 3.37Å; G167-P215 WeakPolarHBondContact O-CG 3.22Å; P215-A217 PolarHBondContact O-N 3.44Å; P215-S218 PolarHBondContact O-N 3.21Å; P215-E219 WeakPolarHBondContact O-CB 3.38Å; P215-E219 VanDerWaalsContact O-CD 3.32Å; P215-E219 VanDerWaalsContact O-CG 3.27Å; P215-E219 WeakPolarHBondContact O-CG 3.22Å; P215-E219 PolarHBondContact O-N 3.42Å
216	A	95.5	Very high	95.4	Very high	15 Å²	15	47.1 Å²	47.1	12%	0.124	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-39.2	175.6	0	0	0	0	0	113.4	E130 T214 S220	E130-A216 HydrophobicContact CG-CB 3.78Å; T214-A216 VanDerWaalsContact C-N 3.26Å; T214-A216 PolarHBondContact O-N 3.4Å; A216-S220 PolarHBondContact O-N 3Å; A216-S220 PolarHBondContact O-OG 3.28Å
217	A	96.1	Very high	95.2	Very high	32 Å²	32	45.2 Å²	45.2	26%	0.264	27%	0.268	S	S	.	.	H	α-helix	trans	-71.5	-41.6	177.1	0	0	0	0	0	111.6	L213 T214 P215 E219 S220 I221	L213-A217 HydrophobicContact CD2-CB 4.25Å; T214-A217 PolarHBondContact O-N 3.2Å; T214-A217 WeakPolarHBondContact OG1-CB 3.38Å; T214-A217 PolarHBondContact OG1-N 3.29Å; P215-A217 PolarHBondContact O-N 3.44Å; A217-E219 VanDerWaalsContact C-N 3.28Å; A217-E219 PolarHBondContact O-N 3.32Å; A217-S220 PolarHBondContact O-N 2.77Å; A217-I221 VanDerWaalsContact O-CG1 3.31Å; A217-I221 WeakPolarHBondContact O-CG1 3.37Å; A217-I221 PolarHBondContact O-N 3.13Å
218	S	97.2	Very high	95	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-39.5	174	-62.8	0	0	0	0	111.9	Q166 T214 P215 Y222	Q166-S218 WeakPolarHBondContact CG-OG 3.4Å; T214-S218 PolarHBondContact O-N 2.96Å; T214-S218 PolarHBondContact O-OG 2.85Å; P215-S218 PolarHBondContact O-N 3.21Å; S218-Y222 VanDerWaalsContact O-CB 3.28Å; S218-Y222 WeakPolarHBondContact O-CB 3.46Å; S218-Y222 PolarHBondContact O-N 3.44Å
219	E	96.8	Very high	94.9	Very high	13 Å²	13	48.2 Å²	48.2	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-67	-43.8	175	-73.9	157.2	-172.1	0	0	112.7	Y134 V137 P215 A217 Y222 L223 R417	Y134-E219 VanDerWaalsContact CD2-OE1 3.26Å; Y134-E219 WeakPolarHBondContact CD2-OE1 3.45Å; V137-E219 HydrophobicContact CG2-CB 4.06Å; V137-E219 HydrophobicContact CG2-CG 4.13Å; P215-E219 WeakPolarHBondContact O-CB 3.38Å; P215-E219 VanDerWaalsContact O-CD 3.32Å; P215-E219 VanDerWaalsContact O-CG 3.27Å; P215-E219 WeakPolarHBondContact O-CG 3.22Å; P215-E219 PolarHBondContact O-N 3.42Å; A217-E219 VanDerWaalsContact C-N 3.28Å; A217-E219 PolarHBondContact O-N 3.32Å; E219-Y222 WeakPolarHBondContact O-CB 3.46Å; E219-Y222 PolarHBondContact O-N 2.96Å; E219-L223 VanDerWaalsContact O-CG 3.29Å; E219-L223 WeakPolarHBondContact O-CG 3.33Å; E219-L223 PolarHBondContact O-N 3.29Å; E219-R417 VanDerWaalsContact CD-NH2 3.34Å; E219-R417 IonicContact OE1-CZ 3.42Å; E219-R417 IonicContact OE1-NE 2.59Å; E219-R417 PolarHBondContact OE1-NE 3.4Å; E219-R417 IonicContact OE1-NH2 3.35Å; E219-R417 PolarHBondContact OE1-NH2 3.15Å; E219-R417 IonicContact OE2-CZ 2.7Å; E219-R417 IonicContact OE2-NE 3.93Å; E219-R417 IonicContact OE2-NH2 2.73Å; E219-R417 PolarHBondContact OE2-NH2 3.42Å
220	S	96.7	Very high	94.7	Very high	33 Å²	33	51.2 Å²	51.2	23%	0.231	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-48.4	174.5	-70.3	0	0	0	0	111.9	R133 A216 A217 Y222 L223 E224	R133-S220 PolarHBondContact NE-OG 3.07Å; A216-S220 PolarHBondContact O-N 3Å; A216-S220 PolarHBondContact O-OG 3.28Å; A217-S220 PolarHBondContact O-N 2.77Å; S220-Y222 VanDerWaalsContact C-N 3.29Å; S220-Y222 PolarHBondContact O-N 3.32Å; S220-L223 PolarHBondContact O-N 2.99Å; S220-L223 VanDerWaalsContact O-N 3.07Å; S220-E224 WeakPolarHBondContact O-CG 3.48Å; S220-E224 PolarHBondContact O-N 3.47Å
221	I	97.2	Very high	94.8	Very high	46 Å²	46	50.6 Å²	50.6	24%	0.236	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-34.6	178.3	-60.3	164	0	0	0	111.2	L163 L213 A217 K225	L163-I221 HydrophobicContact CD1-CB 4.37Å; L163-I221 HydrophobicContact CD1-CG2 3.78Å; L163-I221 HydrophobicContact CD2-CB 4.11Å; L163-I221 HydrophobicContact CD2-CG2 3.92Å; L213-I221 HydrophobicContact CD1-CD1 4.11Å; L213-I221 HydrophobicContact CD2-CD1 3.81Å; A217-I221 VanDerWaalsContact O-CG1 3.31Å; A217-I221 WeakPolarHBondContact O-CG1 3.37Å; A217-I221 PolarHBondContact O-N 3.13Å; I221-K225 HydrophobicContact CG2-CD 4.27Å; I221-K225 WeakPolarHBondContact O-CB 3.21Å; I221-K225 WeakPolarHBondContact O-CG 3.14Å; I221-K225 PolarHBondContact O-N 2.89Å; I221-K225 VanDerWaalsContact O-N 3.12Å
222	Y	98.2	Very high	94.9	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-45.1	172.3	-178.5	-77.5	0	0	0	110.9	V137 L140 R141 L160 L163 L164 S218 E219 S220 K225 V226	V137-Y222 HydrophobicContact CB-CD1 4.36Å; V137-Y222 HydrophobicContact CG1-CD1 3.95Å; V137-Y222 HydrophobicContact CG1-CE1 4.04Å; V137-Y222 HydrophobicContact CG1-CG 4.26Å; V137-Y222 HydrophobicContact CG2-CD1 3.81Å; V137-Y222 HydrophobicContact CG2-CE1 4.41Å; V137-Y222 HydrophobicContact CG2-CG 4.41Å; L140-Y222 HydrophobicContact CB-CE1 4.15Å; R141-Y222 WeakPolarHBondContact CA-OH 3.19Å; R141-Y222 PolarHBondContact N-OH 3.07Å; L160-Y222 HydrophobicContact CB-CD2 4.1Å; L160-Y222 HydrophobicContact CB-CE2 3.73Å; L160-Y222 HydrophobicContact CD2-CD1 4.37Å; L160-Y222 HydrophobicContact CD2-CD2 3.68Å; L160-Y222 HydrophobicContact CD2-CE2 3.83Å; L160-Y222 HydrophobicContact CD2-CG 3.96Å; L160-Y222 HydrophobicContact CG-CE2 4.31Å; L160-Y222 WeakPolarHBondContact O-CD2 3.25Å; L160-Y222 WeakPolarHBondContact O-CE2 3.36Å; L163-Y222 HydrophobicContact CB-CD2 4.34Å; L164-Y222 HydrophobicContact CD1-CE2 3.79Å; L164-Y222 HydrophobicContact CD2-CD2 4.03Å; L164-Y222 HydrophobicContact CD2-CE2 3.78Å; L164-Y222 HydrophobicContact CG-CD2 3.92Å; L164-Y222 HydrophobicContact CG-CE2 3.58Å; S218-Y222 VanDerWaalsContact O-CB 3.28Å; S218-Y222 WeakPolarHBondContact O-CB 3.46Å; S218-Y222 PolarHBondContact O-N 3.44Å; E219-Y222 WeakPolarHBondContact O-CB 3.46Å; E219-Y222 PolarHBondContact O-N 2.96Å; S220-Y222 VanDerWaalsContact C-N 3.29Å; S220-Y222 PolarHBondContact O-N 3.32Å; Y222-K225 PolarHBondContact O-N 3.41Å; Y222-V226 HydrophobicContact CD1-CB 4.33Å; Y222-V226 HydrophobicContact CD1-CG1 4.02Å; Y222-V226 HydrophobicContact CE1-CB 4.08Å; Y222-V226 HydrophobicContact CE1-CG1 3.97Å; Y222-V226 HydrophobicContact CE1-CG2 4.27Å; Y222-V226 WeakPolarHBondContact O-CB 3.29Å; Y222-V226 VanDerWaalsContact O-CG1 3.24Å; Y222-V226 WeakPolarHBondContact O-CG1 3.47Å; Y222-V226 PolarHBondContact O-N 2.82Å
223	L	97.5	Very high	94.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-66.1	-42.2	179.5	-69.5	173.1	0	0	0	112.4	P124 L127 R133 V136 V137 L140 E219 S220 K225 V226 C227	P124-L223 HydrophobicContact CB-CB 3.61Å; P124-L223 HydrophobicContact CG-CB 4.39Å; L127-L223 HydrophobicContact CD1-CD1 4.42Å; R133-L223 HydrophobicContact CB-CD1 3.75Å; R133-L223 HydrophobicContact CG-CD1 3.72Å; V136-L223 HydrophobicContact CB-CD2 4.35Å; V136-L223 HydrophobicContact CG1-CD2 3.71Å; V137-L223 HydrophobicContact CG2-CD1 4.17Å; V137-L223 HydrophobicContact CG2-CD2 3.76Å; V137-L223 HydrophobicContact CG2-CG 3.71Å; L140-L223 HydrophobicContact CD1-CD2 3.64Å; E219-L223 VanDerWaalsContact O-CG 3.29Å; E219-L223 WeakPolarHBondContact O-CG 3.33Å; E219-L223 PolarHBondContact O-N 3.29Å; S220-L223 PolarHBondContact O-N 2.99Å; S220-L223 VanDerWaalsContact O-N 3.07Å; L223-K225 VanDerWaalsContact C-N 3.27Å; L223-K225 PolarHBondContact O-N 2.97Å; L223-V226 HydrophobicContact CD2-CG1 4.4Å; L223-C227 WeakPolarHBondContact O-CB 3.47Å; L223-C227 PolarHBondContact O-N 3.48Å; L223-C227 VanDerWaalsContact O-N 3.1Å; L223-C227 PolarHBondContact O-SG 3.4Å; L223-C227 VanDerWaalsContact O-SG 3.4Å
224	E	96.7	Very high	94.8	Very high	75 Å²	75	37.7 Å²	37.7	35%	0.35	22%	0.22	S	C	.	.	H	α-helix	trans	-58.6	-34.6	172.8	-71.1	162.4	-152.4	0	0	113	P124 H125 S220 C227	P124-E224 HydrophobicContact CG-CG 4.45Å; H125-E224 IonicContact CE1-OE1 3.87Å; H125-E224 PolarHBondContact CE1-OE1 2.83Å; S220-E224 WeakPolarHBondContact O-CG 3.48Å; S220-E224 PolarHBondContact O-N 3.47Å; E224-C227 PolarHBondContact O-SG 3.21Å
225	K	96.9	Very high	94.6	Very high	61 Å²	61	35.9 Å²	35.9	27%	0.265	21%	0.206	S	C	.	.	H	α-helix	trans	-84.2	-41.6	179.6	-78.7	177.3	176.9	-72.7	0	113	L156 E159 L160 L163 I221 Y222 L223 L228	L156-K225 HydrophobicContact CD1-CB 4.05Å; L156-K225 HydrophobicContact CD1-CG 4.42Å; E159-K225 WeakPolarHBondContact OE2-CE 3.24Å; E159-K225 IonicContact OE2-NZ 2.67Å; E159-K225 PolarHBondContact OE2-NZ 3.45Å; L160-K225 HydrophobicContact CD2-CB 3.72Å; L163-K225 HydrophobicContact CD1-CD 3.82Å; I221-K225 HydrophobicContact CG2-CD 4.27Å; I221-K225 WeakPolarHBondContact O-CB 3.21Å; I221-K225 WeakPolarHBondContact O-CG 3.14Å; I221-K225 PolarHBondContact O-N 2.89Å; I221-K225 VanDerWaalsContact O-N 3.12Å; Y222-K225 PolarHBondContact O-N 3.41Å; L223-K225 VanDerWaalsContact C-N 3.27Å; L223-K225 PolarHBondContact O-N 2.97Å; K225-L228 WeakPolarHBondContact O-CB 3.41Å; K225-L228 PolarHBondContact O-N 3.02Å
226	V	96.4	Very high	94.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-75.3	-25.2	-175.9	75.6	0	0	0	0	112.4	L140 I144 L149 L160 Y222 L223 L228 L229 Y232	L140-V226 HydrophobicContact CD1-CG1 3.7Å; L140-V226 HydrophobicContact CD2-CG2 4.48Å; I144-V226 HydrophobicContact CD1-CG2 3.83Å; L149-V226 HydrophobicContact CD2-CG2 3.98Å; L160-V226 HydrophobicContact CD1-CB 4.31Å; L160-V226 HydrophobicContact CD1-CG2 4.26Å; L160-V226 HydrophobicContact CD2-CB 4.02Å; Y222-V226 HydrophobicContact CD1-CB 4.33Å; Y222-V226 HydrophobicContact CD1-CG1 4.02Å; Y222-V226 HydrophobicContact CE1-CB 4.08Å; Y222-V226 HydrophobicContact CE1-CG1 3.97Å; Y222-V226 HydrophobicContact CE1-CG2 4.27Å; Y222-V226 WeakPolarHBondContact O-CB 3.29Å; Y222-V226 VanDerWaalsContact O-CG1 3.24Å; Y222-V226 WeakPolarHBondContact O-CG1 3.47Å; Y222-V226 PolarHBondContact O-N 2.82Å; L223-V226 HydrophobicContact CD2-CG1 4.4Å; V226-L228 PolarHBondContact O-N 2.84Å; V226-L229 HydrophobicContact CG2-CD1 3.85Å; V226-L229 WeakPolarHBondContact O-CB 3.35Å; V226-L229 PolarHBondContact O-N 3.37Å; V226-L229 VanDerWaalsContact O-N 3.14Å; V226-Y232 HydrophobicContact CG1-CD2 4.37Å; V226-Y232 HydrophobicContact CG1-CE2 4.19Å
227	C	94	Very high	94.5	Very high	39 Å²	39	38 Å²	38	26%	0.264	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.8	174.7	73.5	0	0	0	0	113.4	L223 E224 L229 Y232	L223-C227 WeakPolarHBondContact O-CB 3.47Å; L223-C227 PolarHBondContact O-N 3.48Å; L223-C227 VanDerWaalsContact O-N 3.1Å; L223-C227 PolarHBondContact O-SG 3.4Å; L223-C227 VanDerWaalsContact O-SG 3.4Å; E224-C227 PolarHBondContact O-SG 3.21Å; C227-L229 VanDerWaalsContact C-N 3.28Å; C227-Y232 HydrophobicContact CB-CD1 4.12Å; C227-Y232 HydrophobicContact CB-CD2 4.25Å; C227-Y232 HydrophobicContact CB-CE1 4.05Å; C227-Y232 HydrophobicContact CB-CE2 4.15Å; C227-Y232 HydrophobicContact CB-CG 4.23Å
228	L	92.6	Very high	94.4	Very high	130 Å²	130	40.5 Å²	40.5	68%	0.681	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-12.7	173.8	-52.7	176.7	0	0	0	113	K225 V226	K225-L228 WeakPolarHBondContact O-CB 3.41Å; K225-L228 PolarHBondContact O-N 3.02Å; V226-L228 PolarHBondContact O-N 2.84Å
229	L	93.2	Very high	94.3	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.063	22%	0.223	C	C	.	.	S	Bend	trans	-68.8	133.4	178	-66.6	-179.5	0	0	0	110.3	I144 L149 C151 L156 V226 C227 D231 Y232	I144-L229 HydrophobicContact CD1-CD1 4.24Å; L149-L229 HydrophobicContact CD1-CB 4.04Å; L149-L229 HydrophobicContact CD1-CD1 4.12Å; L149-L229 HydrophobicContact CD2-CD1 3.97Å; L149-L229 HydrophobicContact CG-CD1 3.81Å; C151-L229 HydrophobicContact CB-CD1 4.37Å; C151-L229 HydrophobicContact CB-CD2 4.42Å; L156-L229 HydrophobicContact CD2-CD2 3.69Å; L156-L229 HydrophobicContact CD2-CG 4.49Å; V226-L229 HydrophobicContact CG2-CD1 3.85Å; V226-L229 WeakPolarHBondContact O-CB 3.35Å; V226-L229 PolarHBondContact O-N 3.37Å; V226-L229 VanDerWaalsContact O-N 3.14Å; C227-L229 VanDerWaalsContact C-N 3.28Å; L229-D231 PolarHBondContact O-N 3Å; L229-Y232 VanDerWaalsContact O-CB 3.25Å; L229-Y232 WeakPolarHBondContact O-CB 3.3Å; L229-Y232 PolarHBondContact O-N 3.08Å
230	P	88.5	Confident	94.3	Very high	107 Å²	107	44.3 Å²	44.3	70%	0.695	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.8	-172.6	-29	35.3	0	0	0	115.2
231	D	89.6	Confident	94	Very high	44 Å²	44	42.8 Å²	42.8	24%	0.235	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	17.7	-178.7	-56.9	-45.7	0	0	0	113.2	L149 L229 G233 V234 M236 Y259	L149-D231 HydrophobicContact CD1-CB 4.18Å; L229-D231 PolarHBondContact O-N 3Å; D231-G233 PolarHBondContact O-N 3.3Å; D231-V234 HydrophobicContact CB-CB 4.44Å; D231-V234 HydrophobicContact CB-CG2 4.2Å; D231-V234 WeakPolarHBondContact O-CG2 3.36Å; D231-V234 PolarHBondContact O-N 2.94Å; D231-V234 VanDerWaalsContact O-N 3.11Å; D231-M236 HydrophobicContact CB-CE 4.48Å; D231-M236 WeakPolarHBondContact OD1-CE 3.4Å; D231-Y259 PolarHBondContact OD1-OH 3.43Å
232	Y	93	Very high	93.3	Very high	18 Å²	18	45.2 Å²	45.2	7%	0.071	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	122.5	175.3	170.6	-97.4	0	0	0	111.1	F120 L140 V226 C227 L229 V234	F120-Y232 HydrophobicContact CB-CE1 3.88Å; F120-Y232 HydrophobicContact CD1-CE2 4.07Å; L140-Y232 HydrophobicContact CD1-CE2 3.82Å; L140-Y232 HydrophobicContact CD2-CD2 3.87Å; L140-Y232 HydrophobicContact CD2-CE2 3.83Å; L140-Y232 HydrophobicContact CG-CE2 4.49Å; V226-Y232 HydrophobicContact CG1-CD2 4.37Å; V226-Y232 HydrophobicContact CG1-CE2 4.19Å; C227-Y232 HydrophobicContact CB-CD1 4.12Å; C227-Y232 HydrophobicContact CB-CD2 4.25Å; C227-Y232 HydrophobicContact CB-CE1 4.05Å; C227-Y232 HydrophobicContact CB-CE2 4.15Å; C227-Y232 HydrophobicContact CB-CG 4.23Å; L229-Y232 VanDerWaalsContact O-CB 3.25Å; L229-Y232 WeakPolarHBondContact O-CB 3.3Å; L229-Y232 PolarHBondContact O-N 3.08Å; Y232-V234 PolarHBondContact O-N 3.48Å; Y232-V234 VanDerWaalsContact O-N 3.16Å
233	G	89.8	Confident	92.9	Very high	13 Å²	13	48 Å²	48	13%	0.134	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	10.6	179.2	0	0	0	0	0	116.1	D231 E235	D231-G233 PolarHBondContact O-N 3.3Å; G233-E235 PolarHBondContact O-N 3.29Å
234	V	92.7	Very high	92.4	Very high	18 Å²	18	53.4 Å²	53.4	11%	0.109	28%	0.281	C	S	.	.			trans	-74.5	121.5	-175.7	-176.6	0	0	0	0	112.3	D231 Y232 M236 L251 T252 L257	D231-V234 HydrophobicContact CB-CB 4.44Å; D231-V234 HydrophobicContact CB-CG2 4.2Å; D231-V234 WeakPolarHBondContact O-CG2 3.36Å; D231-V234 PolarHBondContact O-N 2.94Å; D231-V234 VanDerWaalsContact O-N 3.11Å; Y232-V234 PolarHBondContact O-N 3.48Å; Y232-V234 VanDerWaalsContact O-N 3.16Å; V234-M236 HydrophobicContact CB-CE 4.2Å; V234-M236 HydrophobicContact CG1-CE 3.57Å; V234-M236 HydrophobicContact CG1-CG 3.91Å; V234-M236 HydrophobicContact CG1-SD 3.54Å; V234-M236 VanDerWaalsContact CG1-SD 3.54Å; V234-M236 PolarHBondContact O-N 3.47Å; V234-L251 WeakPolarHBondContact CA-O 3.46Å; V234-T252 HydrophobicContact CG2-CG2 3.67Å; V234-L257 HydrophobicContact CG2-CD1 4.18Å
235	E	92.9	Very high	92.2	Very high	42 Å²	42	55.5 Å²	55.5	20%	0.196	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	98.8	166	-159.5	-169.6	144.7	0	0	109.7	G233 H237 G250 L251 S318 H322	G233-E235 PolarHBondContact O-N 3.29Å; E235-H237 PolarHBondContact O-CD2 3.33Å; E235-H237 IonicContact OE1-CD2 3.73Å; E235-H237 IonicContact OE1-CE1 3.14Å; E235-H237 PolarHBondContact OE1-CE1 3.46Å; E235-H237 IonicContact OE1-NE2 3.61Å; E235-H237 PolarHBondContact OE1-NE2 2.89Å; E235-G250 WeakPolarHBondContact O-CA 3.24Å; E235-L251 HydrophobicContact CB-CB 4.12Å; E235-L251 HydrophobicContact CB-CD1 4.45Å; E235-L251 HydrophobicContact CB-CG 4.44Å; E235-L251 PolarHBondContact N-O 2.95Å; E235-L251 VanDerWaalsContact N-O 3.1Å; E235-L251 PolarHBondContact O-N 2.94Å; E235-S318 PolarHBondContact OE2-OG 2.95Å; E235-H322 IonicContact OE2-CE1 2.73Å
236	M	93.3	Very high	92.1	Very high	86 Å²	86	57.8 Å²	57.8	42%	0.424	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132.4	-178.3	-67.6	-66.5	-171.8	0	0	113.4	D231 V234 L249 Y259	D231-M236 HydrophobicContact CB-CE 4.48Å; D231-M236 WeakPolarHBondContact OD1-CE 3.4Å; V234-M236 HydrophobicContact CB-CE 4.2Å; V234-M236 HydrophobicContact CG1-CE 3.57Å; V234-M236 HydrophobicContact CG1-CG 3.91Å; V234-M236 HydrophobicContact CG1-SD 3.54Å; V234-M236 VanDerWaalsContact CG1-SD 3.54Å; V234-M236 PolarHBondContact O-N 3.47Å; M236-L249 CarbonylContact C-O 3.53Å; M236-Y259 HydrophobicContact CE-CD2 4.35Å; M236-Y259 HydrophobicContact CE-CE1 4.34Å; M236-Y259 HydrophobicContact CE-CE2 3.73Å; M236-Y259 HydrophobicContact SD-CD2 4.37Å; M236-Y259 HydrophobicContact SD-CE2 4.12Å
237	H	94.3	Very high	92.1	Very high	23 Å²	23	58 Å²	58	11%	0.106	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.1	175.7	-71.1	-99.7	0	0	0	111.8	E235 S248 L249 L315	E235-H237 PolarHBondContact O-CD2 3.33Å; E235-H237 IonicContact OE1-CD2 3.73Å; E235-H237 IonicContact OE1-CE1 3.14Å; E235-H237 PolarHBondContact OE1-CE1 3.46Å; E235-H237 IonicContact OE1-NE2 3.61Å; E235-H237 PolarHBondContact OE1-NE2 2.89Å; H237-S248 WeakPolarHBondContact O-CA 3.47Å; H237-L249 PolarHBondContact N-O 3.14Å; H237-L249 PolarHBondContact O-N 2.92Å; H237-L315 HydrophobicContact CB-CD1 4.08Å; H237-L315 HydrophobicContact CB-CD2 4.07Å
238	T	94.9	Very high	92.2	Very high	85 Å²	85	57.5 Å²	57.5	52%	0.521	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.3	174.7	-47.9	0	0	0	0	111.5	L246 Y247	T238-L246 HydrophobicContact CG2-CD2 3.95Å; T238-Y247 WeakPolarHBondContact CA-O 3.16Å
239	V	96	Very high	92.4	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	171.2	179.9	-54.1	0	0	0	0	110.6	Y247 L249 F304 L306 L315	V239-Y247 PolarHBondContact N-O 2.75Å; V239-Y247 PolarHBondContact O-N 3.16Å; V239-Y247 VanDerWaalsContact O-O 3.1Å; V239-L249 HydrophobicContact CG1-CD1 3.84Å; V239-L249 HydrophobicContact CG1-CG 4.07Å; V239-L249 HydrophobicContact CG2-CD1 4.08Å; V239-L249 HydrophobicContact CG2-CG 3.84Å; V239-F304 HydrophobicContact CB-CB 4.07Å; V239-F304 HydrophobicContact CG1-CB 4.39Å; V239-F304 HydrophobicContact CG2-CB 4.03Å; V239-F304 HydrophobicContact CG2-CD1 3.63Å; V239-F304 HydrophobicContact CG2-CE1 4.5Å; V239-F304 HydrophobicContact CG2-CG 4.14Å; V239-L306 HydrophobicContact CG1-CD1 4.1Å; V239-L306 HydrophobicContact CG1-CD2 4.09Å; V239-L306 HydrophobicContact CG1-CG 3.87Å; V239-L315 HydrophobicContact CG1-CD2 4.08Å
240	K	95	Very high	92.5	Very high	91 Å²	91	50.8 Å²	50.8	40%	0.396	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.7	168.2	-69.3	-172.8	174.3	-157.2	0	112.4	Q245 L246 F304 V305	K240-Q245 CarbonylContact C-O 3.51Å; K240-Q245 WeakPolarHBondContact CA-O 3.38Å; K240-L246 HydrophobicContact CG-CD2 3.84Å; K240-F304 WeakPolarHBondContact O-CA 3.26Å; K240-V305 HydrophobicContact CB-CB 4.27Å; K240-V305 PolarHBondContact N-O 2.92Å; K240-V305 PolarHBondContact O-N 3.11Å
241	G	90.9	Very high	92.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.01	24%	0.235	C	C	.	.			trans	-76.1	-173.4	171	0	0	0	0	0	112.9	D243 N244 Q245	G241-D243 VanDerWaalsContact C-N 3.27Å; G241-D243 WeakPolarHBondContact CA-OD1 3.29Å; G241-N244 PolarHBondContact O-N 3.19Å; G241-Q245 PolarHBondContact N-O 3.11Å
242	K	83.6	Confident	92.9	Very high	97 Å²	97	44 Å²	44	42%	0.422	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-28.8	175.2	179.1	179	-178	-175	0	112.3	N244 C562 E564 Y565	K242-N244 VanDerWaalsContact C-N 3.27Å; K242-N244 PolarHBondContact O-N 2.83Å; K242-C562 VanDerWaalsContact CB-O 3.25Å; K242-C562 WeakPolarHBondContact CB-O 3.45Å; K242-C562 PolarHBondContact N-O 2.99Å; K242-E564 PolarHBondContact NZ-O 3.38Å; K242-Y565 HydrophobicContact CB-CE2 4.39Å; K242-Y565 HydrophobicContact CD-CD2 4.33Å; K242-Y565 HydrophobicContact CD-CE1 4.13Å; K242-Y565 HydrophobicContact CD-CE2 3.74Å; K242-Y565 HydrophobicContact CG-CE2 4.1Å; K242-Y565 WeakPolarHBondContact CG-OH 3.43Å
243	D	88.4	Confident	92.8	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-3	174.4	59.3	-1	0	0	0	114.5	G241 Q245 Y247	G241-D243 VanDerWaalsContact C-N 3.27Å; G241-D243 WeakPolarHBondContact CA-OD1 3.29Å; D243-Q245 HydrophobicContact CB-CG 4.24Å; D243-Q245 PolarHBondContact O-N 2.67Å; D243-Q245 PolarHBondContact OD1-N 3.49Å; D243-Q245 WeakPolarHBondContact OD2-CB 3.44Å; D243-Q245 WeakPolarHBondContact OD2-CG 3.31Å; D243-Y247 PolarHBondContact OD2-OH 2.92Å
244	N	88.4	Confident	92.7	Very high	115 Å²	115	47.5 Å²	47.5	62%	0.615	25%	0.247	S	C	*	.	S	Bend	trans	65.9	5.9	-169.7	-60.7	-59.7	0	0	0	116.3	G241 K242	G241-N244 PolarHBondContact O-N 3.19Å; K242-N244 VanDerWaalsContact C-N 3.27Å; K242-N244 PolarHBondContact O-N 2.83Å
245	Q	92.8	Very high	92.8	Very high	118 Å²	118	46.6 Å²	46.6	55%	0.551	24%	0.242	S	C	*	.			trans	-73.9	157.5	175.5	-60.2	-67.7	26.2	0	0	111.5	K240 G241 D243 Y247	K240-Q245 CarbonylContact C-O 3.51Å; K240-Q245 WeakPolarHBondContact CA-O 3.38Å; G241-Q245 PolarHBondContact N-O 3.11Å; D243-Q245 HydrophobicContact CB-CG 4.24Å; D243-Q245 PolarHBondContact O-N 2.67Å; D243-Q245 PolarHBondContact OD1-N 3.49Å; D243-Q245 WeakPolarHBondContact OD2-CB 3.44Å; D243-Q245 WeakPolarHBondContact OD2-CG 3.31Å; Q245-Y247 HydrophobicContact CB-CE2 3.79Å; Q245-Y247 WeakPolarHBondContact O-CD2 3.46Å
246	L	94.8	Very high	92.9	Very high	109 Å²	109	44.7 Å²	44.7	57%	0.571	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89	127.1	-178.9	-70.6	169.8	0	0	0	111	T238 K240	T238-L246 HydrophobicContact CG2-CD2 3.95Å; K240-L246 HydrophobicContact CG-CD2 3.84Å
247	Y	95.9	Very high	93	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	160.4	175.4	-60.7	-83.4	0	0	0	109.6	T238 V239 D243 Q245 Y259 E260 I265 F563	T238-Y247 WeakPolarHBondContact CA-O 3.16Å; V239-Y247 PolarHBondContact N-O 2.75Å; V239-Y247 PolarHBondContact O-N 3.16Å; V239-Y247 VanDerWaalsContact O-O 3.1Å; D243-Y247 PolarHBondContact OD2-OH 2.92Å; Q245-Y247 HydrophobicContact CB-CE2 3.79Å; Q245-Y247 WeakPolarHBondContact O-CD2 3.46Å; Y247-Y259 VanDerWaalsContact CA-O 3.31Å; Y247-Y259 WeakPolarHBondContact CA-O 3.31Å; Y247-Y259 WeakPolarHBondContact CB-O 3.37Å; Y247-E260 HydrophobicContact CD1-CB 3.95Å; Y247-E260 HydrophobicContact CD1-CG 4.29Å; Y247-E260 HydrophobicContact CE1-CB 3.93Å; Y247-E260 HydrophobicContact CE1-CG 3.92Å; Y247-I265 HydrophobicContact CD1-CD1 4.06Å; Y247-I265 HydrophobicContact CE1-CD1 4.03Å; Y247-F563 HydrophobicContact CD1-CE1 4.14Å; Y247-F563 AromaticContact CD1-CZ 3.6Å; Y247-F563 HydrophobicContact CD1-CZ 3.6Å; Y247-F563 AromaticContact CD2-CE1 3.51Å; Y247-F563 HydrophobicContact CD2-CE1 3.51Å; Y247-F563 AromaticContact CD2-CZ 3.84Å; Y247-F563 HydrophobicContact CD2-CZ 3.84Å; Y247-F563 HydrophobicContact CE1-CE1 4.19Å; Y247-F563 HydrophobicContact CE1-CE2 4.45Å; Y247-F563 AromaticContact CE1-CZ 3.52Å; Y247-F563 HydrophobicContact CE1-CZ 3.52Å; Y247-F563 AromaticContact CE2-CE1 3.56Å; Y247-F563 HydrophobicContact CE2-CE1 3.56Å; Y247-F563 AromaticContact CE2-CZ 3.75Å; Y247-F563 HydrophobicContact CE2-CZ 3.75Å; Y247-F563 AromaticContact CG-CE1 3.79Å; Y247-F563 HydrophobicContact CG-CE1 3.79Å; Y247-F563 AromaticContact CG-CZ 3.74Å; Y247-F563 HydrophobicContact CG-CZ 3.74Å; Y247-F563 AromaticContact CZ-CE1 3.9Å; Y247-F563 AromaticContact CZ-CZ 3.58Å
248	S	95.2	Very high	93	Very high	30 Å²	30	39.8 Å²	39.8	21%	0.21	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.8	172.1	-61.4	0	0	0	0	110.1	H237 Y259	H237-S248 WeakPolarHBondContact O-CA 3.47Å; S248-Y259 PolarHBondContact N-O 2.96Å; S248-Y259 PolarHBondContact O-N 3.28Å
249	L	96.4	Very high	92.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.4	170.3	-62.1	-178.5	0	0	0	108.9	M236 H237 V239 I256 L257 V258 L283 F304 L315	M236-L249 CarbonylContact C-O 3.53Å; H237-L249 PolarHBondContact N-O 3.14Å; H237-L249 PolarHBondContact O-N 2.92Å; V239-L249 HydrophobicContact CG1-CD1 3.84Å; V239-L249 HydrophobicContact CG1-CG 4.07Å; V239-L249 HydrophobicContact CG2-CD1 4.08Å; V239-L249 HydrophobicContact CG2-CG 3.84Å; L249-I256 HydrophobicContact CB-CG2 4.08Å; L249-I256 HydrophobicContact CD2-CG2 4.13Å; L249-I256 HydrophobicContact CG-CG2 4.49Å; L249-L257 CarbonylContact C-O 3.55Å; L249-L257 WeakPolarHBondContact CA-O 3.49Å; L249-V258 HydrophobicContact CD2-CB 4.3Å; L249-V258 HydrophobicContact CD2-CG1 4.06Å; L249-V258 HydrophobicContact CD2-CG2 3.85Å; L249-L283 HydrophobicContact CD1-CD2 4.32Å; L249-F304 HydrophobicContact CD1-CB 4.33Å; L249-F304 HydrophobicContact CD1-CD1 4.2Å; L249-F304 HydrophobicContact CD1-CD2 3.92Å; L249-F304 HydrophobicContact CD1-CE2 4.29Å; L249-F304 HydrophobicContact CD1-CG 3.88Å; L249-F304 HydrophobicContact CD2-CD1 4.3Å; L249-F304 HydrophobicContact CD2-CE1 3.91Å; L249-F304 HydrophobicContact CD2-CE2 4.39Å; L249-F304 HydrophobicContact CD2-CZ 3.98Å; L249-L315 HydrophobicContact CD1-CD2 4.12Å
250	G	95.6	Very high	92.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.6	176	0	0	0	0	0	110.8	E235 I256 L257	E235-G250 WeakPolarHBondContact O-CA 3.24Å; G250-I256 CarbonylContact O-C 3.55Å; G250-I256 WeakPolarHBondContact O-CA 3.31Å; G250-L257 PolarHBondContact N-O 2.91Å; G250-L257 PolarHBondContact O-N 3.01Å
251	L	95.5	Very high	92.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.8	172.2	-52.4	-178.8	0	0	0	109.5	V234 E235 I256 W270 L315 S318 A319	V234-L251 WeakPolarHBondContact CA-O 3.46Å; E235-L251 HydrophobicContact CB-CB 4.12Å; E235-L251 HydrophobicContact CB-CD1 4.45Å; E235-L251 HydrophobicContact CB-CG 4.44Å; E235-L251 PolarHBondContact N-O 2.95Å; E235-L251 VanDerWaalsContact N-O 3.1Å; E235-L251 PolarHBondContact O-N 2.94Å; L251-I256 HydrophobicContact CD2-CD1 4.29Å; L251-I256 HydrophobicContact CD2-CG1 3.89Å; L251-I256 HydrophobicContact CD2-CG2 4.28Å; L251-W270 HydrophobicContact CD2-CH2 4.32Å; L251-L315 HydrophobicContact CD1-CD1 4.21Å; L251-L315 HydrophobicContact CD2-CD1 4.12Å; L251-L315 HydrophobicContact CG-CD1 4.34Å; L251-S318 WeakPolarHBondContact CD1-OG 3.45Å; L251-A319 HydrophobicContact CD1-CB 4.35Å; L251-A319 HydrophobicContact CD2-CB 3.92Å
252	T	92.5	Very high	92.4	Very high	9 Å²	9	48 Å²	48	6%	0.055	26%	0.259	C	S	.	.			trans	-124.4	168	177.4	53.4	0	0	0	0	112	V234 T254 G255 L257 W270	V234-T252 HydrophobicContact CG2-CG2 3.67Å; T252-T254 PolarHBondContact O-N 3.3Å; T252-T254 PolarHBondContact OG1-N 3.3Å; T252-T254 PolarHBondContact OG1-OG1 2.64Å; T252-G255 PolarHBondContact N-O 2.85Å; T252-G255 PolarHBondContact O-N 2.95Å; T252-G255 PolarHBondContact OG1-N 3.32Å; T252-G255 PolarHBondContact OG1-O 3.25Å; T252-G255 VanDerWaalsContact OG1-O 3.05Å; T252-L257 HydrophobicContact CG2-CD1 3.5Å; T252-L257 HydrophobicContact CG2-CG 3.94Å; T252-W270 PolarHBondContact O-NE1 3.37Å
253	P	89.9	Confident	92.7	Very high	20 Å²	20	49 Å²	49	13%	0.13	27%	0.268	C	S	.	.	S	Bend	trans	-54.4	-28.4	163.6	-28.2	37.8	0	0	0	113.9	F120 W270 F326	F120-P253 VanDerWaalsContact O-CG 3.3Å; F120-P253 WeakPolarHBondContact O-CG 3.48Å; P253-W270 PolarHBondContact O-NE1 2.82Å; P253-F326 HydrophobicContact CB-CD1 3.81Å; P253-F326 HydrophobicContact CB-CE1 3.55Å; P253-F326 HydrophobicContact CB-CE2 4.3Å; P253-F326 HydrophobicContact CB-CG 4.3Å; P253-F326 HydrophobicContact CB-CZ 3.82Å; P253-F326 HydrophobicContact CG-CE1 3.9Å; P253-F326 HydrophobicContact CG-CE2 4.38Å; P253-F326 HydrophobicContact CG-CZ 3.76Å; P253-F326 WeakPolarHBondContact O-CB 3.43Å
254	T	88.8	Confident	92.9	Very high	83 Å²	83	51.4 Å²	51.4	51%	0.509	28%	0.276	S	S	.	.	S	Bend	trans	-88.7	-30	-177.4	51.4	0	0	0	0	114.7	T252 S269 W270	T252-T254 PolarHBondContact O-N 3.3Å; T252-T254 PolarHBondContact OG1-N 3.3Å; T252-T254 PolarHBondContact OG1-OG1 2.64Å; T254-S269 WeakPolarHBondContact O-CA 3.36Å; T254-W270 PolarHBondContact O-N 2.96Å
255	G	93.1	Very high	93.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-149.2	-174.7	0	0	0	0	0	114.6	T252 F268 W270	T252-G255 PolarHBondContact N-O 2.85Å; T252-G255 PolarHBondContact O-N 2.95Å; T252-G255 PolarHBondContact OG1-N 3.32Å; T252-G255 PolarHBondContact OG1-O 3.25Å; T252-G255 VanDerWaalsContact OG1-O 3.05Å; G255-F268 CarbonylContact C-O 3.53Å; G255-F268 WeakPolarHBondContact CA-O 3.3Å; G255-W270 VanDerWaalsContact CA-CE2 3.45Å; G255-W270 VanDerWaalsContact O-CZ2 3.24Å; G255-W270 WeakPolarHBondContact O-CZ2 3.48Å
256	I	95.6	Very high	93	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108.3	170.3	-51.9	178.5	0	0	0	108.2	L249 G250 L251 F268 W270 I273 L276 A319	L249-I256 HydrophobicContact CB-CG2 4.08Å; L249-I256 HydrophobicContact CD2-CG2 4.13Å; L249-I256 HydrophobicContact CG-CG2 4.49Å; G250-I256 CarbonylContact O-C 3.55Å; G250-I256 WeakPolarHBondContact O-CA 3.31Å; L251-I256 HydrophobicContact CD2-CD1 4.29Å; L251-I256 HydrophobicContact CD2-CG1 3.89Å; L251-I256 HydrophobicContact CD2-CG2 4.28Å; I256-F268 HydrophobicContact CB-CB 4.28Å; I256-F268 HydrophobicContact CB-CD2 4.22Å; I256-F268 HydrophobicContact CG2-CD2 4.48Å; I256-F268 PolarHBondContact N-O 3.22Å; I256-F268 PolarHBondContact O-N 2.96Å; I256-W270 HydrophobicContact CD1-CH2 4.03Å; I256-W270 HydrophobicContact CD1-CZ3 3.94Å; I256-W270 HydrophobicContact CG1-CH2 3.46Å; I256-W270 VanDerWaalsContact CG1-CH2 3.46Å; I256-W270 HydrophobicContact CG1-CZ2 4.26Å; I256-W270 HydrophobicContact CG1-CZ3 3.67Å; I256-I273 HydrophobicContact CD1-CD1 3.96Å; I256-I273 HydrophobicContact CG1-CD1 4.02Å; I256-L276 HydrophobicContact CD1-CD2 4.2Å; I256-A319 HydrophobicContact CD1-CB 4.38Å
257	L	94.6	Very high	92.9	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	145.4	169.6	-67.4	173.9	0	0	0	110.5	V234 L249 G250 T252 Y259 K264 L267	V234-L257 HydrophobicContact CG2-CD1 4.18Å; L249-L257 CarbonylContact C-O 3.55Å; L249-L257 WeakPolarHBondContact CA-O 3.49Å; G250-L257 PolarHBondContact N-O 2.91Å; G250-L257 PolarHBondContact O-N 3.01Å; T252-L257 HydrophobicContact CG2-CD1 3.5Å; T252-L257 HydrophobicContact CG2-CG 3.94Å; L257-Y259 HydrophobicContact CB-CD2 4.17Å; L257-Y259 HydrophobicContact CB-CE2 3.53Å; L257-Y259 HydrophobicContact CD1-CE2 3.97Å; L257-Y259 WeakPolarHBondContact CD1-OH 3.46Å; L257-Y259 HydrophobicContact CG-CE2 4.36Å; L257-K264 HydrophobicContact CD2-CD 3.9Å; L257-K264 HydrophobicContact CD2-CG 4.41Å; L257-L267 HydrophobicContact CD2-CB 4.16Å; L257-L267 HydrophobicContact CD2-CD1 3.82Å; L257-L267 HydrophobicContact CD2-CG 4.45Å; L257-L267 HydrophobicContact CG-CD1 4.27Å
258	V	94.8	Very high	92.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.8	174.2	-167.9	0	0	0	0	108.7	L249 I265 G266 F268 I555 F563	L249-V258 HydrophobicContact CD2-CB 4.3Å; L249-V258 HydrophobicContact CD2-CG1 4.06Å; L249-V258 HydrophobicContact CD2-CG2 3.85Å; V258-I265 HydrophobicContact CB-CG1 4.05Å; V258-I265 HydrophobicContact CG1-CD1 3.86Å; V258-I265 HydrophobicContact CG1-CG1 3.86Å; V258-I265 VanDerWaalsContact O-CG1 3.3Å; V258-I265 WeakPolarHBondContact O-CG1 3.48Å; V258-I265 PolarHBondContact O-N 3.14Å; V258-G266 PolarHBondContact N-O 3.03Å; V258-G266 PolarHBondContact O-N 3.33Å; V258-F268 HydrophobicContact CG2-CD2 4.01Å; V258-F268 HydrophobicContact CG2-CE2 3.65Å; V258-F268 HydrophobicContact CG2-CZ 4.32Å; V258-I555 HydrophobicContact CG2-CD1 4.17Å; V258-F563 HydrophobicContact CG1-CE2 4.36Å; V258-F563 HydrophobicContact CG1-CZ 4.12Å
259	Y	94	Very high	92.7	Very high	15 Å²	15	37.1 Å²	37.1	6%	0.059	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.6	179.3	-62.9	-109.8	0	0	0	111.7	D231 M236 Y247 S248 L257 N263 K264	D231-Y259 PolarHBondContact OD1-OH 3.43Å; M236-Y259 HydrophobicContact CE-CD2 4.35Å; M236-Y259 HydrophobicContact CE-CE1 4.34Å; M236-Y259 HydrophobicContact CE-CE2 3.73Å; M236-Y259 HydrophobicContact SD-CD2 4.37Å; M236-Y259 HydrophobicContact SD-CE2 4.12Å; Y247-Y259 VanDerWaalsContact CA-O 3.31Å; Y247-Y259 WeakPolarHBondContact CA-O 3.31Å; Y247-Y259 WeakPolarHBondContact CB-O 3.37Å; S248-Y259 PolarHBondContact N-O 2.96Å; S248-Y259 PolarHBondContact O-N 3.28Å; L257-Y259 HydrophobicContact CB-CD2 4.17Å; L257-Y259 HydrophobicContact CB-CE2 3.53Å; L257-Y259 HydrophobicContact CD1-CE2 3.97Å; L257-Y259 WeakPolarHBondContact CD1-OH 3.46Å; L257-Y259 HydrophobicContact CG-CE2 4.36Å; Y259-N263 CarbonylContact C-O 3.58Å; Y259-N263 WeakPolarHBondContact CA-O 3.4Å; Y259-K264 HydrophobicContact CD1-CB 4.06Å; Y259-K264 HydrophobicContact CE1-CB 3.99Å
260	E	94	Very high	92.5	Very high	92 Å²	92	37.3 Å²	37.3	43%	0.43	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.6	166.1	-177.8	172.4	-138.2	0	0	108.2	Y247 Q262 N263 I265	Y247-E260 HydrophobicContact CD1-CB 3.95Å; Y247-E260 HydrophobicContact CD1-CG 4.29Å; Y247-E260 HydrophobicContact CE1-CB 3.93Å; Y247-E260 HydrophobicContact CE1-CG 3.92Å; E260-Q262 PolarHBondContact O-N 2.87Å; E260-Q262 VanDerWaalsContact O-N 3.14Å; E260-N263 PolarHBondContact N-O 3.45Å; E260-N263 WeakPolarHBondContact O-CB 3.46Å; E260-N263 PolarHBondContact O-N 2.93Å; E260-I265 HydrophobicContact CB-CD1 4.22Å; E260-I265 HydrophobicContact CB-CG2 3.85Å
261	G	89.7	Confident	92.2	Very high	61 Å²	61	40.3 Å²	40.3	63%	0.629	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	-116.4	-165.9	0	0	0	0	0	111.2
262	Q	87.3	Confident	92	Very high	186 Å²	186	43.6 Å²	43.6	87%	0.869	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-8	173.6	-66.8	-179.6	-12.7	0	0	113.3	E260	E260-Q262 PolarHBondContact O-N 2.87Å; E260-Q262 VanDerWaalsContact O-N 3.14Å
263	N	90.4	Very high	92	Very high	116 Å²	116	43.2 Å²	43.2	62%	0.62	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.6	-175.1	-64	-29.1	0	0	0	110.3	Y259 E260 I265	Y259-N263 CarbonylContact C-O 3.58Å; Y259-N263 WeakPolarHBondContact CA-O 3.4Å; E260-N263 PolarHBondContact N-O 3.45Å; E260-N263 WeakPolarHBondContact O-CB 3.46Å; E260-N263 PolarHBondContact O-N 2.93Å; N263-I265 PolarHBondContact O-N 2.83Å
264	K	91.2	Very high	92	Very high	113 Å²	113	44.1 Å²	44.1	49%	0.491	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	111.1	170.3	173.2	177.3	165.8	172.9	0	109.6	L257 Y259	L257-K264 HydrophobicContact CD2-CD 3.9Å; L257-K264 HydrophobicContact CD2-CG 4.41Å; Y259-K264 HydrophobicContact CD1-CB 4.06Å; Y259-K264 HydrophobicContact CE1-CB 3.99Å
265	I	92.7	Very high	92.1	Very high	26 Å²	26	42 Å²	42	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-9.6	-178.9	60	166.6	0	0	0	113.7	Y247 V258 E260 N263 F563	Y247-I265 HydrophobicContact CD1-CD1 4.06Å; Y247-I265 HydrophobicContact CE1-CD1 4.03Å; V258-I265 HydrophobicContact CB-CG1 4.05Å; V258-I265 HydrophobicContact CG1-CD1 3.86Å; V258-I265 HydrophobicContact CG1-CG1 3.86Å; V258-I265 VanDerWaalsContact O-CG1 3.3Å; V258-I265 WeakPolarHBondContact O-CG1 3.48Å; V258-I265 PolarHBondContact O-N 3.14Å; E260-I265 HydrophobicContact CB-CD1 4.22Å; E260-I265 HydrophobicContact CB-CG2 3.85Å; N263-I265 PolarHBondContact O-N 2.83Å; I265-F563 HydrophobicContact CD1-CE2 3.72Å; I265-F563 HydrophobicContact CD1-CZ 3.88Å
266	G	91.6	Very high	92.2	Very high	8 Å²	8	42 Å²	42	8%	0.082	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.5	-163	161.3	0	0	0	0	0	115	V258	V258-G266 PolarHBondContact N-O 3.03Å; V258-G266 PolarHBondContact O-N 3.33Å
267	L	92.6	Very high	92.1	Very high	16 Å²	16	44.3 Å²	44.3	8%	0.084	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	131.6	-171.5	172.4	62.2	0	0	0	110.4	L257	L257-L267 HydrophobicContact CD2-CB 4.16Å; L257-L267 HydrophobicContact CD2-CD1 3.82Å; L257-L267 HydrophobicContact CD2-CG 4.45Å; L257-L267 HydrophobicContact CG-CD1 4.27Å
268	F	93.5	Very high	92	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	93.5	163.6	-57.5	-55.4	0	0	0	109.3	G255 I256 V258 I273 V285 V287 F302 F304 I555	G255-F268 CarbonylContact C-O 3.53Å; G255-F268 WeakPolarHBondContact CA-O 3.3Å; I256-F268 HydrophobicContact CB-CB 4.28Å; I256-F268 HydrophobicContact CB-CD2 4.22Å; I256-F268 HydrophobicContact CG2-CD2 4.48Å; I256-F268 PolarHBondContact N-O 3.22Å; I256-F268 PolarHBondContact O-N 2.96Å; V258-F268 HydrophobicContact CG2-CD2 4.01Å; V258-F268 HydrophobicContact CG2-CE2 3.65Å; V258-F268 HydrophobicContact CG2-CZ 4.32Å; F268-I273 HydrophobicContact CB-CD1 3.81Å; F268-I273 HydrophobicContact CB-CG1 3.96Å; F268-I273 WeakPolarHBondContact O-CD1 3.46Å; F268-V285 HydrophobicContact CD2-CG1 4.46Å; F268-V287 HydrophobicContact CB-CG2 4.39Å; F268-V287 HydrophobicContact CD1-CB 4.46Å; F268-V287 HydrophobicContact CD1-CG1 4.28Å; F268-V287 HydrophobicContact CD1-CG2 3.66Å; F268-V287 HydrophobicContact CE1-CG2 4.05Å; F268-V287 HydrophobicContact CG-CG2 4.1Å; F268-F302 HydrophobicContact CD1-CD2 4.28Å; F268-F302 HydrophobicContact CD1-CE2 4.27Å; F268-F302 AromaticContact CE1-CD2 3.29Å; F268-F302 HydrophobicContact CE1-CD2 3.29Å; F268-F302 AromaticContact CE1-CE2 3.33Å; F268-F302 HydrophobicContact CE1-CE2 3.33Å; F268-F302 AromaticContact CE1-CG 3.91Å; F268-F302 HydrophobicContact CE1-CG 3.91Å; F268-F302 AromaticContact CE1-CZ 3.97Å; F268-F302 HydrophobicContact CE1-CZ 3.97Å; F268-F302 HydrophobicContact CE2-CD2 4.44Å; F268-F302 HydrophobicContact CZ-CB 3.94Å; F268-F302 HydrophobicContact CZ-CD1 4.16Å; F268-F302 AromaticContact CZ-CD2 3.38Å; F268-F302 HydrophobicContact CZ-CD2 3.38Å; F268-F302 AromaticContact CZ-CE2 3.87Å; F268-F302 HydrophobicContact CZ-CE2 3.87Å; F268-F302 AromaticContact CZ-CG 3.53Å; F268-F302 HydrophobicContact CZ-CG 3.53Å; F268-F302 HydrophobicContact CZ-CZ 4.41Å; F268-F304 HydrophobicContact CE2-CE2 4Å; F268-F304 AromaticContact CE2-CZ 3.84Å; F268-F304 HydrophobicContact CE2-CZ 3.84Å; F268-F304 HydrophobicContact CZ-CZ 4.29Å; F268-I555 HydrophobicContact CD1-CD1 4.03Å; F268-I555 HydrophobicContact CE1-CD1 3.23Å; F268-I555 HydrophobicContact CE1-CG1 4.18Å; F268-I555 HydrophobicContact CE2-CD1 4.09Å; F268-I555 HydrophobicContact CZ-CD1 3.28Å
269	S	92	Very high	92	Very high	20 Å²	20	50.6 Å²	50.6	14%	0.14	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	138.9	179.9	-49.9	0	0	0	0	111.6	T254 P271 N272 I273	T254-S269 WeakPolarHBondContact O-CA 3.36Å; S269-P271 VanDerWaalsContact C-CD 3.43Å; S269-P271 VanDerWaalsContact C-N 3.33Å; S269-N272 PolarHBondContact O-N 3.39Å; S269-I273 PolarHBondContact O-N 2.72Å
270	W	92.9	Very high	92	Very high	5 Å²	5	57.2 Å²	57.2	2%	0.019	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-39.5	-176.6	-68	128.1	0	0	0	115	L251 T252 P253 T254 G255 I256 N272 I273 H322 H323 R327	L251-W270 HydrophobicContact CD2-CH2 4.32Å; T252-W270 PolarHBondContact O-NE1 3.37Å; P253-W270 PolarHBondContact O-NE1 2.82Å; T254-W270 PolarHBondContact O-N 2.96Å; G255-W270 VanDerWaalsContact CA-CE2 3.45Å; G255-W270 VanDerWaalsContact O-CZ2 3.24Å; G255-W270 WeakPolarHBondContact O-CZ2 3.48Å; I256-W270 HydrophobicContact CD1-CH2 4.03Å; I256-W270 HydrophobicContact CD1-CZ3 3.94Å; I256-W270 HydrophobicContact CG1-CH2 3.46Å; I256-W270 VanDerWaalsContact CG1-CH2 3.46Å; I256-W270 HydrophobicContact CG1-CZ2 4.26Å; I256-W270 HydrophobicContact CG1-CZ3 3.67Å; W270-N272 VanDerWaalsContact C-N 3.28Å; W270-N272 PolarHBondContact O-N 2.82Å; W270-I273 HydrophobicContact CE3-CD1 3.53Å; W270-I273 HydrophobicContact CZ3-CD1 3.67Å; W270-I273 PolarHBondContact O-N 3.18Å; W270-H322 HydrophobicContact CH2-CB 3.95Å; W270-H322 HydrophobicContact CZ2-CB 3.46Å; W270-H322 VanDerWaalsContact CZ2-CB 3.46Å; W270-H323 HydrophobicContact CD2-CB 4.28Å; W270-H323 HydrophobicContact CE3-CB 3.67Å; W270-H323 AromaticContact CE3-CD2 3.77Å; W270-H323 HydrophobicContact CH2-CB 4.5Å; W270-H323 HydrophobicContact CZ3-CB 3.79Å; W270-R327 HydrophobicContact CB-CB 4.28Å; W270-R327 WeakPolarHBondContact O-CD 3.28Å; W270-R327 PolarHBondContact O-NH1 3.24Å
271	P	89.8	Confident	92	Very high	64 Å²	64	55 Å²	55	42%	0.416	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.8	176.1	-26.5	36.9	0	0	0	114.1	S269 R327	S269-P271 VanDerWaalsContact C-CD 3.43Å; S269-P271 VanDerWaalsContact C-N 3.33Å; P271-R327 VanDerWaalsContact O-CZ 3.28Å; P271-R327 PolarHBondContact O-NH1 3.47Å; P271-R327 PolarHBondContact O-NH2 3.11Å
272	N	90.5	Very high	92.3	Very high	69 Å²	69	56.5 Å²	56.5	37%	0.369	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-19.1	-174.6	-65.8	3	0	0	0	112.6	S269 W270 L274 V287 V288	S269-N272 PolarHBondContact O-N 3.39Å; W270-N272 VanDerWaalsContact C-N 3.28Å; W270-N272 PolarHBondContact O-N 2.82Å; N272-L274 PolarHBondContact O-N 2.72Å; N272-V287 HydrophobicContact CB-CG1 3.91Å; N272-V287 CarbonylContact O-C 3.6Å; N272-V287 WeakPolarHBondContact O-CA 3.48Å; N272-V288 HydrophobicContact CB-CG1 4.29Å; N272-V288 PolarHBondContact O-N 2.77Å
273	I	92.4	Very high	92.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	110.3	175.5	-65.2	164.2	0	0	0	109.4	I256 F268 S269 W270 L276 V285 L286 V287 R327	I256-I273 HydrophobicContact CD1-CD1 3.96Å; I256-I273 HydrophobicContact CG1-CD1 4.02Å; F268-I273 HydrophobicContact CB-CD1 3.81Å; F268-I273 HydrophobicContact CB-CG1 3.96Å; F268-I273 WeakPolarHBondContact O-CD1 3.46Å; S269-I273 PolarHBondContact O-N 2.72Å; W270-I273 HydrophobicContact CE3-CD1 3.53Å; W270-I273 HydrophobicContact CZ3-CD1 3.67Å; W270-I273 PolarHBondContact O-N 3.18Å; I273-L276 HydrophobicContact CG2-CD2 4.03Å; I273-L276 HydrophobicContact CG2-CG 3.95Å; I273-V285 HydrophobicContact CD1-CG1 4.39Å; I273-V285 HydrophobicContact CG1-CG1 4.04Å; I273-V285 HydrophobicContact CG2-CG1 4.1Å; I273-L286 CarbonylContact C-O 3.59Å; I273-V287 HydrophobicContact CG1-CG2 4.21Å; I273-R327 PolarHBondContact O-NH1 3.32Å
274	L	90.8	Very high	93	Very high	39 Å²	39	45.4 Å²	45.4	20%	0.204	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-39.2	177.6	-61.1	-177.2	0	0	0	112.2	N272 L286 V288 E299	N272-L274 PolarHBondContact O-N 2.72Å; L274-L286 HydrophobicContact CB-CD2 4.21Å; L274-L286 HydrophobicContact CB-CG 4.3Å; L274-L286 HydrophobicContact CD1-CD2 4.36Å; L274-L286 HydrophobicContact CD1-CG 4.44Å; L274-L286 PolarHBondContact N-O 3.27Å; L274-V288 HydrophobicContact CD1-CB 4.04Å; L274-V288 HydrophobicContact CD2-CB 4.17Å; L274-V288 HydrophobicContact CD2-CG1 4.11Å; L274-V288 HydrophobicContact CG-CB 4.06Å; L274-V288 HydrophobicContact CG-CG1 4.42Å; L274-E299 HydrophobicContact CD1-CG 3.98Å
275	K	91.3	Very high	93.1	Very high	38 Å²	38	40 Å²	40	17%	0.165	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	140.1	-172.4	-152.4	179.6	-177.4	-173.5	0	112.1	E277 L286 D539 I540	K275-E277 HydrophobicContact CD-CG 3.74Å; K275-E277 WeakPolarHBondContact CD-OE1 3.5Å; K275-E277 WeakPolarHBondContact CE-OE1 3.45Å; K275-E277 HydrophobicContact CG-CG 3.99Å; K275-E277 IonicContact NZ-OE1 3.95Å; K275-E277 PolarHBondContact NZ-OE1 2.77Å; K275-L286 HydrophobicContact CB-CB 3.9Å; K275-L286 HydrophobicContact CB-CD2 4.15Å; K275-L286 PolarHBondContact N-O 3.28Å; K275-L286 PolarHBondContact O-N 3.39Å; K275-D539 VanDerWaalsContact NZ-CG 3.33Å; K275-D539 IonicContact NZ-OD2 3.15Å; K275-D539 PolarHBondContact NZ-OD2 2.64Å; K275-I540 WeakPolarHBondContact CG-O 3.43Å
276	L	94.2	Very high	93.2	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	108.4	169	-68.3	171.3	0	0	0	108.8	I256 I273 V285 W316 A319 V320	I256-L276 HydrophobicContact CD1-CD2 4.2Å; I273-L276 HydrophobicContact CG2-CD2 4.03Å; I273-L276 HydrophobicContact CG2-CG 3.95Å; L276-V285 HydrophobicContact CD2-CB 4.28Å; L276-V285 HydrophobicContact CD2-CG1 3.91Å; L276-V285 HydrophobicContact CD2-CG2 3.88Å; L276-W316 PolarHBondContact O-NE1 3.26Å; L276-A319 HydrophobicContact CD1-CB 3.85Å; L276-V320 HydrophobicContact CB-CG2 4.22Å; L276-V320 HydrophobicContact CD1-CG2 4Å
277	E	93.8	Very high	93.2	Very high	49 Å²	49	40.1 Å²	40.1	23%	0.229	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.3	179.3	-58	-177.1	151.4	0	0	111.4	K275 K284	K275-E277 HydrophobicContact CD-CG 3.74Å; K275-E277 WeakPolarHBondContact CD-OE1 3.5Å; K275-E277 WeakPolarHBondContact CE-OE1 3.45Å; K275-E277 HydrophobicContact CG-CG 3.99Å; K275-E277 IonicContact NZ-OE1 3.95Å; K275-E277 PolarHBondContact NZ-OE1 2.77Å; E277-K284 HydrophobicContact CB-CB 4.27Å; E277-K284 PolarHBondContact N-O 3.26Å; E277-K284 PolarHBondContact O-N 3.01Å; E277-K284 WeakPolarHBondContact OE2-CD 3.44Å
278	M	93.4	Very high	93.2	Very high	26 Å²	26	40.3 Å²	40.3	13%	0.128	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.3	175.4	-172.3	-146.5	77.5	0	0	110.2	C312 K313 W316	M278-C312 WeakPolarHBondContact CG-SG 3.24Å; M278-K313 VanDerWaalsContact SD-CA 3.52Å; M278-K313 HydrophobicContact SD-CB 3.62Å; M278-K313 HydrophobicContact SD-CG 4Å; M278-W316 HydrophobicContact CB-CB 4.02Å; M278-W316 HydrophobicContact CB-CD2 4.04Å; M278-W316 HydrophobicContact CB-CG 3.65Å; M278-W316 HydrophobicContact CG-CB 4.13Å; M278-W316 HydrophobicContact CG-CG 4.28Å; M278-W316 HydrophobicContact SD-CB 4.48Å
279	K	93.5	Very high	92.8	Very high	113 Å²	113	42.5 Å²	42.5	49%	0.491	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	106.1	178.1	-176.3	169.6	176.4	167.1	0	110.1	N281 K282 E535	K279-N281 PolarHBondContact O-N 3.15Å; K279-K282 PolarHBondContact N-O 3.17Å; K279-K282 WeakPolarHBondContact O-CB 3.3Å; K279-K282 PolarHBondContact O-N 3.26Å; K279-E535 VanDerWaalsContact CE-OE1 3.31Å; K279-E535 WeakPolarHBondContact CE-OE1 3.41Å; K279-E535 VanDerWaalsContact CE-OE2 3.27Å; K279-E535 WeakPolarHBondContact CE-OE2 3.47Å; K279-E535 IonicContact NZ-OE1 3.71Å; K279-E535 PolarHBondContact NZ-OE1 3.48Å; K279-E535 IonicContact NZ-OE2 3.27Å; K279-E535 PolarHBondContact NZ-OE2 2.88Å
280	K	93.8	Very high	92.3	Very high	154 Å²	154	48.4 Å²	48.4	67%	0.67	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	-123.1	-170	-58.8	-177.1	176.1	-174.7	0	111	K282 N309 C312	K280-K282 VanDerWaalsContact C-N 3.34Å; K280-N309 WeakPolarHBondContact CA-OD1 3.4Å; K280-N309 WeakPolarHBondContact CB-OD1 3.29Å; K280-C312 PolarHBondContact O-SG 2.8Å
281	N	94.9	Very high	91.5	Very high	44 Å²	44	51.4 Å²	51.4	24%	0.235	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	11.2	174.2	71	-40.1	0	0	0	113.4	K279 V305 L306 N309	K279-N281 PolarHBondContact O-N 3.15Å; N281-V305 WeakPolarHBondContact ND2-CG1 3.47Å; N281-L306 WeakPolarHBondContact CB-O 3.47Å; N281-L306 PolarHBondContact ND2-O 3.07Å; N281-L306 PolarHBondContact O-N 3.34Å; N281-N309 PolarHBondContact N-OD1 3.36Å
282	K	95.9	Very high	90.6	Very high	93 Å²	93	54.8 Å²	54.8	40%	0.404	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.5	176.2	-56.3	-164.6	171.9	-161.7	0	111.3	K279 K280 F304 V305 C312	K279-K282 PolarHBondContact N-O 3.17Å; K279-K282 WeakPolarHBondContact O-CB 3.3Å; K279-K282 PolarHBondContact O-N 3.26Å; K280-K282 VanDerWaalsContact C-N 3.34Å; K282-F304 CarbonylContact C-O 3.49Å; K282-F304 WeakPolarHBondContact CA-O 3.27Å; K282-V305 HydrophobicContact CD-CG2 4.4Å; K282-V305 HydrophobicContact CG-CG2 4.25Å; K282-C312 VanDerWaalsContact C-SG 3.56Å
283	L	96.4	Very high	89.8	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.2	168.1	176.9	68.7	0	0	0	108.1	L249 V285 C303 F304 L306 L315 W316	L249-L283 HydrophobicContact CD1-CD2 4.32Å; L283-V285 HydrophobicContact CD2-CG2 4.47Å; L283-V285 HydrophobicContact CG-CG2 4.37Å; L283-C303 WeakPolarHBondContact O-CA 3.31Å; L283-F304 PolarHBondContact N-O 3.45Å; L283-F304 PolarHBondContact O-N 3.23Å; L283-L306 HydrophobicContact CB-CD1 4.08Å; L283-L315 HydrophobicContact CD2-CD2 3.62Å; L283-L315 HydrophobicContact CD2-CG 3.9Å; L283-W316 HydrophobicContact CD1-CB 4.07Å; L283-W316 HydrophobicContact CD1-CG 4.39Å
284	K	95.4	Very high	89.1	Confident	68 Å²	68	62.6 Å²	62.6	30%	0.296	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.9	173.3	-172.4	-166.4	-179.5	-168.9	0	109.2	E277 F302	E277-K284 HydrophobicContact CB-CB 4.27Å; E277-K284 PolarHBondContact N-O 3.26Å; E277-K284 PolarHBondContact O-N 3.01Å; E277-K284 WeakPolarHBondContact OE2-CD 3.44Å; K284-F302 CarbonylContact C-O 3.59Å; K284-F302 VanDerWaalsContact CA-O 3.3Å; K284-F302 WeakPolarHBondContact CA-O 3.16Å
285	V	94.8	Very high	88.4	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.5	174.4	-169.8	0	0	0	0	107.1	F268 I273 L276 L283 V287 F302 F304	F268-V285 HydrophobicContact CD2-CG1 4.46Å; I273-V285 HydrophobicContact CD1-CG1 4.39Å; I273-V285 HydrophobicContact CG1-CG1 4.04Å; I273-V285 HydrophobicContact CG2-CG1 4.1Å; L276-V285 HydrophobicContact CD2-CB 4.28Å; L276-V285 HydrophobicContact CD2-CG1 3.91Å; L276-V285 HydrophobicContact CD2-CG2 3.88Å; L283-V285 HydrophobicContact CD2-CG2 4.47Å; L283-V285 HydrophobicContact CG-CG2 4.37Å; V285-V287 HydrophobicContact CG1-CG2 3.65Å; V285-F302 PolarHBondContact N-O 3.05Å; V285-F302 PolarHBondContact O-N 3.36Å; V285-F304 HydrophobicContact CG2-CD2 4.22Å; V285-F304 HydrophobicContact CG2-CE2 4.03Å
286	L	94	Very high	87.9	Confident	25 Å²	25	73.4 Å²	73.4	13%	0.131	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.2	172.9	-174	67.8	0	0	0	108.1	I273 L274 K275 E299 A301	I273-L286 CarbonylContact C-O 3.59Å; L274-L286 HydrophobicContact CB-CD2 4.21Å; L274-L286 HydrophobicContact CB-CG 4.3Å; L274-L286 HydrophobicContact CD1-CD2 4.36Å; L274-L286 HydrophobicContact CD1-CG 4.44Å; L274-L286 PolarHBondContact N-O 3.27Å; K275-L286 HydrophobicContact CB-CB 3.9Å; K275-L286 HydrophobicContact CB-CD2 4.15Å; K275-L286 PolarHBondContact N-O 3.28Å; K275-L286 PolarHBondContact O-N 3.39Å; L286-E299 HydrophobicContact CD1-CB 4.17Å; L286-A301 HydrophobicContact CD1-CB 4.26Å
287	V	92.5	Very high	87.4	Confident	12 Å²	12	78.8 Å²	78.8	7%	0.073	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.6	-174.4	-174.1	0	0	0	0	109	F268 N272 I273 V285 H300 F302	F268-V287 HydrophobicContact CB-CG2 4.39Å; F268-V287 HydrophobicContact CD1-CB 4.46Å; F268-V287 HydrophobicContact CD1-CG1 4.28Å; F268-V287 HydrophobicContact CD1-CG2 3.66Å; F268-V287 HydrophobicContact CE1-CG2 4.05Å; F268-V287 HydrophobicContact CG-CG2 4.1Å; N272-V287 HydrophobicContact CB-CG1 3.91Å; N272-V287 CarbonylContact O-C 3.6Å; N272-V287 WeakPolarHBondContact O-CA 3.48Å; I273-V287 HydrophobicContact CG1-CG2 4.21Å; V285-V287 HydrophobicContact CG1-CG2 3.65Å; V287-H300 PolarHBondContact N-O 2.7Å; V287-H300 PolarHBondContact O-N 2.93Å; V287-F302 HydrophobicContact CB-CD2 4.3Å; V287-F302 HydrophobicContact CB-CE2 4.04Å; V287-F302 HydrophobicContact CG2-CD2 3.88Å; V287-F302 HydrophobicContact CG2-CE2 4.06Å
288	V	90.9	Very high	87	Confident	19 Å²	19	79.2 Å²	79.2	12%	0.115	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.8	169.6	72.2	0	0	0	0	109.9	N272 L274 I297 T298	N272-V288 HydrophobicContact CB-CG1 4.29Å; N272-V288 PolarHBondContact O-N 2.77Å; L274-V288 HydrophobicContact CD1-CB 4.04Å; L274-V288 HydrophobicContact CD2-CB 4.17Å; L274-V288 HydrophobicContact CD2-CG1 4.11Å; L274-V288 HydrophobicContact CG-CB 4.06Å; L274-V288 HydrophobicContact CG-CG1 4.42Å; V288-I297 HydrophobicContact CG2-CG2 3.16Å; V288-T298 WeakPolarHBondContact CA-O 3.49Å
289	D	85.1	Confident	86.9	Confident	53 Å²	53	83 Å²	83	28%	0.283	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	151.6	168.1	-152.7	-11.6	0	0	0	108.9	T298 K560	D289-T298 PolarHBondContact N-O 2.78Å; D289-T298 PolarHBondContact O-N 2.8Å; D289-K560 IonicContact OD2-NZ 2.85Å; D289-K560 PolarHBondContact OD2-NZ 3.43Å
290	K	81.4	Confident	86.7	Confident	143 Å²	143	78.9 Å²	78.9	62%	0.622	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	110.4	178.2	-73.6	-173.5	176.8	-177.5	0	107.6	E292 I297	K290-E292 PolarHBondContact O-N 3.02Å; K290-I297 HydrophobicContact CG-CG1 4.46Å
291	D	75.9	Confident	86.6	Confident	68 Å²	68	71.7 Å²	71.7	36%	0.364	35%	0.348	S	S	.	.			trans	-64.7	119.3	172.9	175.5	13.6	0	0	0	109.6	Q293 S294 H295 K296	D291-Q293 PolarHBondContact O-N 3.4Å; D291-Q293 PolarHBondContact OD1-N 3.11Å; D291-S294 WeakPolarHBondContact OD2-CB 3.22Å; D291-S294 PolarHBondContact OD2-N 3.36Å; D291-S294 PolarHBondContact OD2-OG 2.97Å; D291-H295 WeakPolarHBondContact O-CA 3.5Å; D291-H295 PolarHBondContact O-N 2.48Å; D291-H295 VanDerWaalsContact O-N 3.11Å; D291-K296 PolarHBondContact N-O 3.14Å; D291-K296 VanDerWaalsContact N-O 3.08Å
292	E	71.5	Confident	86.5	Confident	136 Å²	136	69.9 Å²	69.9	64%	0.636	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.1	179.4	-66.7	-166.6	157	0	0	111.7	K290 K552	K290-E292 PolarHBondContact O-N 3.02Å; E292-K552 WeakPolarHBondContact OE1-CE 3.4Å; E292-K552 IonicContact OE1-NZ 2.66Å; E292-K552 PolarHBondContact OE1-NZ 3.22Å; E292-K552 IonicContact OE2-NZ 3.33Å; E292-K552 PolarHBondContact OE2-NZ 3.29Å; E292-K552 VanDerWaalsContact OE2-NZ 3.15Å
293	Q	75	Confident	86.4	Confident	181 Å²	181	66.3 Å²	66.3	85%	0.846	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-46.9	-175.3	-63.7	-174	1.2	0	0	113.5	D291	D291-Q293 PolarHBondContact O-N 3.4Å; D291-Q293 PolarHBondContact OD1-N 3.11Å
294	S	77.4	Confident	86.3	Confident	51 Å²	51	66.3 Å²	66.3	36%	0.357	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-4.1	-176	71	0	0	0	0	114.7	D291 K296	D291-S294 WeakPolarHBondContact OD2-CB 3.22Å; D291-S294 PolarHBondContact OD2-N 3.36Å; D291-S294 PolarHBondContact OD2-OG 2.97Å; S294-K296 PolarHBondContact O-N 2.53Å; S294-K296 VanDerWaalsContact OG-CB 3.31Å; S294-K296 WeakPolarHBondContact OG-CB 3.39Å; S294-K296 VanDerWaalsContact OG-CG 3.3Å; S294-K296 WeakPolarHBondContact OG-CG 3.5Å; S294-K296 PolarHBondContact OG-N 3.2Å
295	H	75.9	Confident	86.3	Confident	163 Å²	163	64.7 Å²	64.7	76%	0.755	32%	0.321	S	S	*	.			trans	52.6	12.1	-167.4	-67.3	-53.7	0	0	0	114.6	D291	D291-H295 WeakPolarHBondContact O-CA 3.5Å; D291-H295 PolarHBondContact O-N 2.48Å; D291-H295 VanDerWaalsContact O-N 3.11Å
296	K	80.8	Confident	86.3	Confident	141 Å²	141	64.9 Å²	64.9	61%	0.613	32%	0.322	S	S	*	.			trans	-72	139.3	178.4	-69.3	176.6	-178	174.9	0	110	D291 S294	D291-K296 PolarHBondContact N-O 3.14Å; D291-K296 VanDerWaalsContact N-O 3.08Å; S294-K296 PolarHBondContact O-N 2.53Å; S294-K296 VanDerWaalsContact OG-CB 3.31Å; S294-K296 WeakPolarHBondContact OG-CB 3.39Å; S294-K296 VanDerWaalsContact OG-CG 3.3Å; S294-K296 WeakPolarHBondContact OG-CG 3.5Å; S294-K296 PolarHBondContact OG-N 3.2Å
297	I	83.1	Confident	86.3	Confident	115 Å²	115	69.1 Å²	69.1	59%	0.59	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	115	176.8	-59.8	-174.5	0	0	0	106.7	V288 K290	V288-I297 HydrophobicContact CG2-CG2 3.16Å; K290-I297 HydrophobicContact CG-CG1 4.46Å
298	T	85.9	Confident	86.3	Confident	58 Å²	58	71.6 Å²	71.6	36%	0.356	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.9	179.8	48.8	0	0	0	0	110.7	V288 D289 H300	V288-T298 WeakPolarHBondContact CA-O 3.49Å; D289-T298 PolarHBondContact N-O 2.78Å; D289-T298 PolarHBondContact O-N 2.8Å; T298-H300 WeakPolarHBondContact CB-NE2 3.1Å; T298-H300 PolarHBondContact OG1-NE2 2.95Å
299	E	90.5	Very high	86.5	Confident	105 Å²	105	75.1 Å²	75.1	49%	0.491	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.6	174.8	-66.4	-167.2	-179.8	0	0	110.1	L274 L286	L274-E299 HydrophobicContact CD1-CG 3.98Å; L286-E299 HydrophobicContact CD1-CB 4.17Å
300	H	89.3	Confident	86.8	Confident	26 Å²	26	75.2 Å²	75.2	12%	0.12	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.8	178.3	-60	-87.4	0	0	0	110.1	V287 T298 F302 E564	V287-H300 PolarHBondContact N-O 2.7Å; V287-H300 PolarHBondContact O-N 2.93Å; T298-H300 WeakPolarHBondContact CB-NE2 3.1Å; T298-H300 PolarHBondContact OG1-NE2 2.95Å; H300-F302 HydrophobicContact CB-CD2 4.46Å; H300-F302 HydrophobicContact CB-CE1 4.46Å; H300-F302 HydrophobicContact CB-CE2 3.58Å; H300-F302 HydrophobicContact CB-CZ 3.6Å; H300-E564 IonicContact CE1-OE1 2.74Å; H300-E564 PolarHBondContact CE1-OE1 2.69Å; H300-E564 IonicContact CG-OE1 2.8Å; H300-E564 IonicContact ND1-OE1 2.67Å; H300-E564 PolarHBondContact ND1-OE1 3.06Å; H300-E564 IonicContact ND1-OE2 2.76Å; H300-E564 PolarHBondContact ND1-OE2 3.14Å
301	A	91.6	Very high	87.4	Confident	3 Å²	3	69.9 Å²	69.9	3%	0.025	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.7	179.1	0	0	0	0	0	111.3	L286 Y565 V567	L286-A301 HydrophobicContact CD1-CB 4.26Å; A301-Y565 PolarHBondContact O-N 3.11Å; A301-V567 HydrophobicContact CB-CG2 3.58Å
302	F	92.5	Very high	88.3	Confident	7 Å²	7	66.7 Å²	66.7	3%	0.031	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131.4	177.7	-57.2	-70	0	0	0	110.4	F268 K284 V285 V287 H300 F304 F563 E564	F268-F302 HydrophobicContact CD1-CD2 4.28Å; F268-F302 HydrophobicContact CD1-CE2 4.27Å; F268-F302 AromaticContact CE1-CD2 3.29Å; F268-F302 HydrophobicContact CE1-CD2 3.29Å; F268-F302 AromaticContact CE1-CE2 3.33Å; F268-F302 HydrophobicContact CE1-CE2 3.33Å; F268-F302 AromaticContact CE1-CG 3.91Å; F268-F302 HydrophobicContact CE1-CG 3.91Å; F268-F302 AromaticContact CE1-CZ 3.97Å; F268-F302 HydrophobicContact CE1-CZ 3.97Å; F268-F302 HydrophobicContact CE2-CD2 4.44Å; F268-F302 HydrophobicContact CZ-CB 3.94Å; F268-F302 HydrophobicContact CZ-CD1 4.16Å; F268-F302 AromaticContact CZ-CD2 3.38Å; F268-F302 HydrophobicContact CZ-CD2 3.38Å; F268-F302 AromaticContact CZ-CE2 3.87Å; F268-F302 HydrophobicContact CZ-CE2 3.87Å; F268-F302 AromaticContact CZ-CG 3.53Å; F268-F302 HydrophobicContact CZ-CG 3.53Å; F268-F302 HydrophobicContact CZ-CZ 4.41Å; K284-F302 CarbonylContact C-O 3.59Å; K284-F302 VanDerWaalsContact CA-O 3.3Å; K284-F302 WeakPolarHBondContact CA-O 3.16Å; V285-F302 PolarHBondContact N-O 3.05Å; V285-F302 PolarHBondContact O-N 3.36Å; V287-F302 HydrophobicContact CB-CD2 4.3Å; V287-F302 HydrophobicContact CB-CE2 4.04Å; V287-F302 HydrophobicContact CG2-CD2 3.88Å; V287-F302 HydrophobicContact CG2-CE2 4.06Å; H300-F302 HydrophobicContact CB-CD2 4.46Å; H300-F302 HydrophobicContact CB-CE1 4.46Å; H300-F302 HydrophobicContact CB-CE2 3.58Å; H300-F302 HydrophobicContact CB-CZ 3.6Å; F302-F304 HydrophobicContact CB-CE2 3.91Å; F302-F304 HydrophobicContact CB-CZ 4.21Å; F302-F563 HydrophobicContact CB-CB 4.31Å; F302-F563 HydrophobicContact CD1-CB 3.56Å; F302-F563 HydrophobicContact CE1-CB 4.36Å; F302-F563 HydrophobicContact CG-CB 4.38Å; F302-E564 HydrophobicContact CD1-CB 4.29Å; F302-E564 HydrophobicContact CE1-CB 3.93Å; F302-E564 HydrophobicContact CE1-CG 4.27Å
303	C	93.5	Very high	89.4	Confident	18 Å²	18	64 Å²	64	12%	0.122	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.4	-176.8	-178	0	0	0	0	112.1	L283 F563 Y565	L283-C303 WeakPolarHBondContact O-CA 3.31Å; C303-F563 PolarHBondContact N-O 3.41Å; C303-Y565 HydrophobicContact CB-CD2 4.11Å; C303-Y565 HydrophobicContact CB-CE2 3.8Å
304	F	95.3	Very high	90.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.7	-179.8	-56.8	-80.5	0	0	0	110.6	V239 K240 L249 F268 K282 L283 V285 F302 F563	V239-F304 HydrophobicContact CB-CB 4.07Å; V239-F304 HydrophobicContact CG1-CB 4.39Å; V239-F304 HydrophobicContact CG2-CB 4.03Å; V239-F304 HydrophobicContact CG2-CD1 3.63Å; V239-F304 HydrophobicContact CG2-CE1 4.5Å; V239-F304 HydrophobicContact CG2-CG 4.14Å; K240-F304 WeakPolarHBondContact O-CA 3.26Å; L249-F304 HydrophobicContact CD1-CB 4.33Å; L249-F304 HydrophobicContact CD1-CD1 4.2Å; L249-F304 HydrophobicContact CD1-CD2 3.92Å; L249-F304 HydrophobicContact CD1-CE2 4.29Å; L249-F304 HydrophobicContact CD1-CG 3.88Å; L249-F304 HydrophobicContact CD2-CD1 4.3Å; L249-F304 HydrophobicContact CD2-CE1 3.91Å; L249-F304 HydrophobicContact CD2-CE2 4.39Å; L249-F304 HydrophobicContact CD2-CZ 3.98Å; F268-F304 HydrophobicContact CE2-CE2 4Å; F268-F304 AromaticContact CE2-CZ 3.84Å; F268-F304 HydrophobicContact CE2-CZ 3.84Å; F268-F304 HydrophobicContact CZ-CZ 4.29Å; K282-F304 CarbonylContact C-O 3.49Å; K282-F304 WeakPolarHBondContact CA-O 3.27Å; L283-F304 PolarHBondContact N-O 3.45Å; L283-F304 PolarHBondContact O-N 3.23Å; V285-F304 HydrophobicContact CG2-CD2 4.22Å; V285-F304 HydrophobicContact CG2-CE2 4.03Å; F302-F304 HydrophobicContact CB-CE2 3.91Å; F302-F304 HydrophobicContact CB-CZ 4.21Å; F304-F563 HydrophobicContact CD1-CD1 4.04Å; F304-F563 HydrophobicContact CD1-CE1 4.23Å; F304-F563 AromaticContact CE1-CD1 3.37Å; F304-F563 HydrophobicContact CE1-CD1 3.37Å; F304-F563 AromaticContact CE1-CE1 3.6Å; F304-F563 HydrophobicContact CE1-CE1 3.6Å; F304-F563 HydrophobicContact CE1-CG 4.07Å; F304-F563 HydrophobicContact CE1-CZ 4.44Å; F304-F563 HydrophobicContact CZ-CD1 4.07Å; F304-F563 HydrophobicContact CZ-CG 4.34Å
305	V	95.7	Very high	91.1	Very high	35 Å²	35	54.1 Å²	54.1	21%	0.212	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124	-178.8	-171.7	0	0	0	0	109.9	K240 N281 K282	K240-V305 HydrophobicContact CB-CB 4.27Å; K240-V305 PolarHBondContact N-O 2.92Å; K240-V305 PolarHBondContact O-N 3.11Å; N281-V305 WeakPolarHBondContact ND2-CG1 3.47Å; K282-V305 HydrophobicContact CD-CG2 4.4Å; K282-V305 HydrophobicContact CG-CG2 4.25Å
306	L	95.1	Very high	92	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	24%	0.242	C	C	.	.			trans	-101.4	161.9	178.4	-73	99.4	0	0	0	111.8	V239 N281 L283 D308 T311 C312 L315	V239-L306 HydrophobicContact CG1-CD1 4.1Å; V239-L306 HydrophobicContact CG1-CD2 4.09Å; V239-L306 HydrophobicContact CG1-CG 3.87Å; N281-L306 WeakPolarHBondContact CB-O 3.47Å; N281-L306 PolarHBondContact ND2-O 3.07Å; N281-L306 PolarHBondContact O-N 3.34Å; L283-L306 HydrophobicContact CB-CD1 4.08Å; L306-D308 VanDerWaalsContact C-N 3.29Å; L306-D308 PolarHBondContact O-N 3.27Å; L306-T311 HydrophobicContact CD2-CG2 3.86Å; L306-C312 HydrophobicContact CB-CB 4.08Å; L306-C312 HydrophobicContact CD1-CB 4.15Å; L306-L315 HydrophobicContact CD1-CD2 4.13Å; L306-L315 HydrophobicContact CD2-CB 4.24Å; L306-L315 HydrophobicContact CD2-CD2 3.82Å
307	P	92.7	Very high	92.6	Very high	113 Å²	113	42.1 Å²	42.1	73%	0.734	22%	0.222	S	C	*	.	S	Bend	trans	-56.9	-39.5	-178.1	-27	35.8	0	0	0	113.5
308	D	93.7	Very high	93.2	Very high	64 Å²	64	36.7 Å²	36.7	34%	0.342	20%	0.195	S	C	.	.	S	Bend	trans	-146.4	172.2	178.3	76.7	-2.8	0	0	0	113.5	L306 K310 T311 C312	L306-D308 VanDerWaalsContact C-N 3.29Å; L306-D308 PolarHBondContact O-N 3.27Å; D308-K310 PolarHBondContact O-N 2.8Å; D308-K310 PolarHBondContact OD1-N 3.49Å; D308-K310 VanDerWaalsContact OD1-N 3.13Å; D308-K310 WeakPolarHBondContact OD2-CB 3.37Å; D308-T311 VanDerWaalsContact OD1-CB 3.24Å; D308-T311 WeakPolarHBondContact OD1-CB 3.39Å; D308-T311 PolarHBondContact OD1-N 2.95Å; D308-T311 PolarHBondContact OD1-OG1 3.2Å; D308-C312 VanDerWaalsContact O-CB 3.32Å; D308-C312 WeakPolarHBondContact O-CB 3.09Å; D308-C312 PolarHBondContact O-N 3.04Å
309	N	94.4	Very high	93.6	Very high	94 Å²	94	33.9 Å²	33.9	50%	0.503	18%	0.178	S	C	.	.	H	α-helix	trans	-65	-23.9	177.6	-55.1	-83.7	0	0	0	112.9	K280 N281 K313	K280-N309 WeakPolarHBondContact CA-OD1 3.4Å; K280-N309 WeakPolarHBondContact CB-OD1 3.29Å; N281-N309 PolarHBondContact N-OD1 3.36Å; N309-K313 VanDerWaalsContact O-CB 3.27Å; N309-K313 WeakPolarHBondContact O-CB 3.2Å; N309-K313 PolarHBondContact O-N 3.03Å; N309-K313 VanDerWaalsContact O-N 3.13Å
310	K	92	Very high	93.7	Very high	55 Å²	55	29 Å²	29	24%	0.239	16%	0.155	C	C	.	.	H	α-helix	trans	-78.3	-49	-174.9	-179.9	-167.8	167.4	-150.9	0	110.2	N89 D90 D308 K313 I314	N89-K310 PolarHBondContact O-NZ 2.68Å; D90-K310 IonicContact OD2-NZ 2.7Å; D90-K310 PolarHBondContact OD2-NZ 3.14Å; D308-K310 PolarHBondContact O-N 2.8Å; D308-K310 PolarHBondContact OD1-N 3.49Å; D308-K310 VanDerWaalsContact OD1-N 3.13Å; D308-K310 WeakPolarHBondContact OD2-CB 3.37Å; K310-K313 WeakPolarHBondContact O-CB 3.47Å; K310-K313 PolarHBondContact O-N 3.39Å; K310-I314 HydrophobicContact CG-CD1 4.18Å; K310-I314 VanDerWaalsContact O-CG1 3.31Å; K310-I314 WeakPolarHBondContact O-CG1 3.4Å; K310-I314 PolarHBondContact O-N 2.83Å
311	T	93.5	Very high	93.9	Very high	31 Å²	31	28.4 Å²	28.4	19%	0.19	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-44.8	175.2	-45.5	0	0	0	0	110.1	L306 D308 K313 I314 L315	L306-T311 HydrophobicContact CD2-CG2 3.86Å; D308-T311 VanDerWaalsContact OD1-CB 3.24Å; D308-T311 WeakPolarHBondContact OD1-CB 3.39Å; D308-T311 PolarHBondContact OD1-N 2.95Å; D308-T311 PolarHBondContact OD1-OG1 3.2Å; T311-K313 VanDerWaalsContact C-N 3.28Å; T311-K313 PolarHBondContact O-N 3.41Å; T311-I314 PolarHBondContact O-N 3.47Å; T311-L315 PolarHBondContact O-N 3.25Å
312	C	95.5	Very high	94	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-54.5	-43.2	172	-170.4	0	0	0	0	112.4	M278 K280 K282 L306 D308 W316	M278-C312 WeakPolarHBondContact CG-SG 3.24Å; K280-C312 PolarHBondContact O-SG 2.8Å; K282-C312 VanDerWaalsContact C-SG 3.56Å; L306-C312 HydrophobicContact CB-CB 4.08Å; L306-C312 HydrophobicContact CD1-CB 4.15Å; D308-C312 VanDerWaalsContact O-CB 3.32Å; D308-C312 WeakPolarHBondContact O-CB 3.09Å; D308-C312 PolarHBondContact O-N 3.04Å; C312-W316 VanDerWaalsContact O-CB 3.22Å; C312-W316 WeakPolarHBondContact O-CB 3.49Å; C312-W316 PolarHBondContact O-N 3.44Å
313	K	94.2	Very high	93.9	Very high	80 Å²	80	28.1 Å²	28.1	35%	0.348	15%	0.15	S	C	.	.	H	α-helix	trans	-71	-29.3	177.1	-172.9	172.9	-175.8	173.3	0	113.8	M278 N309 K310 T311 K317	M278-K313 VanDerWaalsContact SD-CA 3.52Å; M278-K313 HydrophobicContact SD-CB 3.62Å; M278-K313 HydrophobicContact SD-CG 4Å; N309-K313 VanDerWaalsContact O-CB 3.27Å; N309-K313 WeakPolarHBondContact O-CB 3.2Å; N309-K313 PolarHBondContact O-N 3.03Å; N309-K313 VanDerWaalsContact O-N 3.13Å; K310-K313 WeakPolarHBondContact O-CB 3.47Å; K310-K313 PolarHBondContact O-N 3.39Å; T311-K313 VanDerWaalsContact C-N 3.28Å; T311-K313 PolarHBondContact O-N 3.41Å; K313-K317 WeakPolarHBondContact O-CB 3.42Å; K313-K317 WeakPolarHBondContact O-CG 3.25Å; K313-K317 PolarHBondContact O-N 3.34Å; K313-K317 VanDerWaalsContact O-N 3.14Å
314	I	92.9	Very high	93.8	Very high	23 Å²	23	27.4 Å²	27.4	12%	0.118	15%	0.145	C	C	.	.	H	α-helix	trans	-71.3	-52.5	175.3	-70.3	160.9	0	0	0	109.5	V91 M93 K310 T311 W316 K317 S318	V91-I314 HydrophobicContact CG2-CD1 3.46Å; V91-I314 VanDerWaalsContact CG2-CD1 3.46Å; M93-I314 HydrophobicContact CE-CD1 4.17Å; M93-I314 HydrophobicContact CE-CG1 4.25Å; M93-I314 HydrophobicContact CG-CD1 3.76Å; M93-I314 HydrophobicContact CG-CG1 4.37Å; M93-I314 HydrophobicContact SD-CD1 4.04Å; K310-I314 HydrophobicContact CG-CD1 4.18Å; K310-I314 VanDerWaalsContact O-CG1 3.31Å; K310-I314 WeakPolarHBondContact O-CG1 3.4Å; K310-I314 PolarHBondContact O-N 2.83Å; T311-I314 PolarHBondContact O-N 3.47Å; I314-W316 PolarHBondContact O-N 3.24Å; I314-K317 WeakPolarHBondContact O-CB 3.41Å; I314-K317 PolarHBondContact O-N 3.4Å; I314-S318 PolarHBondContact O-N 3.24Å
315	L	95.1	Very high	93.6	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-49.2	175.4	171.3	58	0	0	0	111.7	H237 V239 L249 L251 L283 L306 T311 K317 S318 A319	H237-L315 HydrophobicContact CB-CD1 4.08Å; H237-L315 HydrophobicContact CB-CD2 4.07Å; V239-L315 HydrophobicContact CG1-CD2 4.08Å; L249-L315 HydrophobicContact CD1-CD2 4.12Å; L251-L315 HydrophobicContact CD1-CD1 4.21Å; L251-L315 HydrophobicContact CD2-CD1 4.12Å; L251-L315 HydrophobicContact CG-CD1 4.34Å; L283-L315 HydrophobicContact CD2-CD2 3.62Å; L283-L315 HydrophobicContact CD2-CG 3.9Å; L306-L315 HydrophobicContact CD1-CD2 4.13Å; L306-L315 HydrophobicContact CD2-CB 4.24Å; L306-L315 HydrophobicContact CD2-CD2 3.82Å; T311-L315 PolarHBondContact O-N 3.25Å; L315-K317 VanDerWaalsContact C-N 3.28Å; L315-K317 PolarHBondContact O-N 3.35Å; L315-S318 PolarHBondContact O-N 3.33Å; L315-S318 VanDerWaalsContact O-N 3.13Å; L315-A319 WeakPolarHBondContact O-CB 3.49Å; L315-A319 PolarHBondContact O-N 3Å
316	W	95.3	Very high	93.2	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-57.1	-42.1	178.2	173.7	77.5	0	0	0	112.2	L276 M278 L283 C312 I314 V320 F348 N538 I540	L276-W316 PolarHBondContact O-NE1 3.26Å; M278-W316 HydrophobicContact CB-CB 4.02Å; M278-W316 HydrophobicContact CB-CD2 4.04Å; M278-W316 HydrophobicContact CB-CG 3.65Å; M278-W316 HydrophobicContact CG-CB 4.13Å; M278-W316 HydrophobicContact CG-CG 4.28Å; M278-W316 HydrophobicContact SD-CB 4.48Å; L283-W316 HydrophobicContact CD1-CB 4.07Å; L283-W316 HydrophobicContact CD1-CG 4.39Å; C312-W316 VanDerWaalsContact O-CB 3.22Å; C312-W316 WeakPolarHBondContact O-CB 3.49Å; C312-W316 PolarHBondContact O-N 3.44Å; I314-W316 PolarHBondContact O-N 3.24Å; W316-V320 HydrophobicContact CD2-CG2 4.4Å; W316-V320 HydrophobicContact CZ2-CG2 4.25Å; W316-V320 WeakPolarHBondContact O-CB 3.46Å; W316-V320 VanDerWaalsContact O-CG2 3.25Å; W316-V320 WeakPolarHBondContact O-CG2 3.3Å; W316-V320 PolarHBondContact O-N 3.03Å; W316-F348 HydrophobicContact CH2-CB 3.98Å; W316-F348 HydrophobicContact CZ3-CB 3.94Å; W316-N538 HydrophobicContact CH2-CB 4.26Å; W316-N538 HydrophobicContact CZ2-CB 4.14Å; W316-I540 HydrophobicContact CH2-CD1 4.34Å; W316-I540 HydrophobicContact CZ2-CD1 4.04Å; W316-I540 HydrophobicContact CZ2-CG1 4.45Å
317	K	93.6	Very high	92.6	Very high	48 Å²	48	29.1 Å²	29.1	21%	0.209	15%	0.149	C	C	.	.	H	α-helix	trans	-61.1	-53	173.3	-87.1	-174	165.5	-148.4	0	111.3	D96 K313 I314 L315 A319 V320 E321 F348	D96-K317 IonicContact OD2-NZ 2.66Å; D96-K317 PolarHBondContact OD2-NZ 2.84Å; K313-K317 WeakPolarHBondContact O-CB 3.42Å; K313-K317 WeakPolarHBondContact O-CG 3.25Å; K313-K317 PolarHBondContact O-N 3.34Å; K313-K317 VanDerWaalsContact O-N 3.14Å; I314-K317 WeakPolarHBondContact O-CB 3.41Å; I314-K317 PolarHBondContact O-N 3.4Å; L315-K317 VanDerWaalsContact C-N 3.28Å; L315-K317 PolarHBondContact O-N 3.35Å; K317-A319 VanDerWaalsContact C-N 3.31Å; K317-A319 PolarHBondContact O-N 3.07Å; K317-V320 PolarHBondContact O-N 3.09Å; K317-V320 VanDerWaalsContact O-N 3.15Å; K317-E321 WeakPolarHBondContact O-CG 3.38Å; K317-E321 PolarHBondContact O-N 3.28Å; K317-F348 HydrophobicContact CD-CD2 4.38Å; K317-F348 HydrophobicContact CG-CD2 4.27Å; K317-F348 HydrophobicContact CG-CG 4.32Å
318	S	94.1	Very high	91.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-62.3	-40.5	-175.7	-163.6	0	0	0	0	111.2	E235 L251 I314 L315 V320 E321 H322	E235-S318 PolarHBondContact OE2-OG 2.95Å; L251-S318 WeakPolarHBondContact CD1-OG 3.45Å; I314-S318 PolarHBondContact O-N 3.24Å; L315-S318 PolarHBondContact O-N 3.33Å; L315-S318 VanDerWaalsContact O-N 3.13Å; S318-V320 PolarHBondContact O-N 2.92Å; S318-E321 PolarHBondContact O-N 3.3Å; S318-E321 VanDerWaalsContact O-N 3.17Å; S318-H322 PolarHBondContact O-N 2.9Å; S318-H322 PolarHBondContact O-ND1 3.07Å; S318-H322 PolarHBondContact OG-CE1 3.27Å; S318-H322 VanDerWaalsContact OG-CE1 3.23Å; S318-H322 PolarHBondContact OG-ND1 3.37Å
319	A	95.1	Very high	90.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.4	-39.2	174.7	0	0	0	0	0	113	L251 I256 L276 L315 K317 H323	L251-A319 HydrophobicContact CD1-CB 4.35Å; L251-A319 HydrophobicContact CD2-CB 3.92Å; I256-A319 HydrophobicContact CD1-CB 4.38Å; L276-A319 HydrophobicContact CD1-CB 3.85Å; L315-A319 WeakPolarHBondContact O-CB 3.49Å; L315-A319 PolarHBondContact O-N 3Å; K317-A319 VanDerWaalsContact C-N 3.31Å; K317-A319 PolarHBondContact O-N 3.07Å; A319-H323 WeakPolarHBondContact O-CB 3.46Å; A319-H323 PolarHBondContact O-N 2.83Å
320	V	92.9	Very high	88.4	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-67.5	-36.1	173	165.1	0	0	0	0	111.7	L276 W316 K317 S318 A324 F348 I540	L276-V320 HydrophobicContact CB-CG2 4.22Å; L276-V320 HydrophobicContact CD1-CG2 4Å; W316-V320 HydrophobicContact CD2-CG2 4.4Å; W316-V320 HydrophobicContact CZ2-CG2 4.25Å; W316-V320 WeakPolarHBondContact O-CB 3.46Å; W316-V320 VanDerWaalsContact O-CG2 3.25Å; W316-V320 WeakPolarHBondContact O-CG2 3.3Å; W316-V320 PolarHBondContact O-N 3.03Å; K317-V320 PolarHBondContact O-N 3.09Å; K317-V320 VanDerWaalsContact O-N 3.15Å; S318-V320 PolarHBondContact O-N 2.92Å; V320-A324 VanDerWaalsContact O-CB 3.26Å; V320-A324 WeakPolarHBondContact O-CB 3.32Å; V320-A324 PolarHBondContact O-N 3.12Å; V320-F348 HydrophobicContact CG1-CD1 3.77Å; V320-F348 HydrophobicContact CG1-CE1 3.98Å; V320-I540 HydrophobicContact CG1-CD1 3.67Å; V320-I540 HydrophobicContact CG2-CD1 4.23Å
321	E	93.2	Very high	86.7	Confident	14 Å²	14	26.3 Å²	26.3	7%	0.065	12%	0.122	C	C	.	.	H	α-helix	trans	-68.2	-47.2	175.7	-72.3	-175.2	128.1	0	0	111.8	K118 F119 K317 S318 A324 F325 F348 F352	K118-E321 VanDerWaalsContact CE-OE2 3.26Å; K118-E321 WeakPolarHBondContact CE-OE2 3.21Å; K118-E321 IonicContact NZ-OE1 3.38Å; K118-E321 PolarHBondContact NZ-OE1 3.4Å; K118-E321 IonicContact NZ-OE2 2.82Å; K118-E321 PolarHBondContact NZ-OE2 2.92Å; F119-E321 HydrophobicContact CE1-CB 4.19Å; F119-E321 HydrophobicContact CZ-CB 4.04Å; K317-E321 WeakPolarHBondContact O-CG 3.38Å; K317-E321 PolarHBondContact O-N 3.28Å; S318-E321 PolarHBondContact O-N 3.3Å; S318-E321 VanDerWaalsContact O-N 3.17Å; E321-A324 PolarHBondContact O-N 2.93Å; E321-F325 WeakPolarHBondContact O-CB 3.41Å; E321-F325 PolarHBondContact O-N 3.39Å; E321-F348 HydrophobicContact CG-CE1 3.47Å; E321-F348 VanDerWaalsContact CG-CE1 3.47Å; E321-F348 HydrophobicContact CG-CZ 3.39Å; E321-F348 WeakPolarHBondContact OE1-CZ 3.1Å; E321-F352 HydrophobicContact CB-CE1 4.16Å; E321-F352 HydrophobicContact CB-CZ 4.09Å; E321-F352 HydrophobicContact CG-CE1 4.1Å; E321-F352 HydrophobicContact CG-CZ 4.38Å; E321-F352 WeakPolarHBondContact O-CZ 3.43Å
322	H	93.5	Very high	84.9	Confident	5 Å²	5	27.1 Å²	27.1	2%	0.023	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-48.9	175.9	-76.3	71.5	0	0	0	111.4	F119 E235 W270 S318 A324 F325 F326	F119-H322 AromaticContact CE1-ND1 3.92Å; E235-H322 IonicContact OE2-CE1 2.73Å; W270-H322 HydrophobicContact CH2-CB 3.95Å; W270-H322 HydrophobicContact CZ2-CB 3.46Å; W270-H322 VanDerWaalsContact CZ2-CB 3.46Å; S318-H322 PolarHBondContact O-N 2.9Å; S318-H322 PolarHBondContact O-ND1 3.07Å; S318-H322 PolarHBondContact OG-CE1 3.27Å; S318-H322 VanDerWaalsContact OG-CE1 3.23Å; S318-H322 PolarHBondContact OG-ND1 3.37Å; H322-A324 VanDerWaalsContact C-N 3.28Å; H322-A324 PolarHBondContact O-N 3.4Å; H322-F325 PolarHBondContact O-N 2.94Å; H322-F325 VanDerWaalsContact O-N 3.14Å; H322-F326 HydrophobicContact CB-CD2 4.22Å; H322-F326 HydrophobicContact CB-CE2 4.43Å; H322-F326 AromaticContact CD2-CE2 3.73Å; H322-F326 VanDerWaalsContact O-CD2 3.26Å; H322-F326 WeakPolarHBondContact O-CD2 3.49Å; H322-F326 PolarHBondContact O-N 3.01Å
323	H	91.3	Very high	82.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-52.7	-47.8	174.4	178.8	-71.8	0	0	0	111.3	W270 A319 R327 Y542	W270-H323 HydrophobicContact CD2-CB 4.28Å; W270-H323 HydrophobicContact CE3-CB 3.67Å; W270-H323 AromaticContact CE3-CD2 3.77Å; W270-H323 HydrophobicContact CH2-CB 4.5Å; W270-H323 HydrophobicContact CZ3-CB 3.79Å; A319-H323 WeakPolarHBondContact O-CB 3.46Å; A319-H323 PolarHBondContact O-N 2.83Å; H323-R327 WeakPolarHBondContact NE2-CD 3.35Å; H323-R327 PolarHBondContact NE2-NH1 3.23Å; H323-R327 WeakPolarHBondContact O-CB 3.46Å; H323-R327 PolarHBondContact O-N 2.88Å; H323-Y542 AromaticContact CE1-CD1 3.67Å; H323-Y542 AromaticContact CE1-CD2 3.15Å; H323-Y542 WeakPolarHBondContact CE1-CD2 3.48Å; H323-Y542 AromaticContact CE1-CE1 3.75Å; H323-Y542 AromaticContact CE1-CE2 3.22Å; H323-Y542 WeakPolarHBondContact CE1-CE2 3.44Å; H323-Y542 AromaticContact CE1-CG 3.36Å; H323-Y542 AromaticContact CE1-CZ 3.51Å; H323-Y542 AromaticContact ND1-CD2 3.84Å; H323-Y542 AromaticContact ND1-CE1 3.71Å; H323-Y542 AromaticContact ND1-CE2 3.41Å; H323-Y542 WeakPolarHBondContact ND1-CE2 3.47Å; H323-Y542 AromaticContact ND1-CZ 3.31Å; H323-Y542 VanDerWaalsContact ND1-CZ 3.31Å; H323-Y542 AromaticContact NE2-CD2 3.56Å; H323-Y542 AromaticContact NE2-CE2 3.72Å
324	A	90.3	Very high	80.8	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-38	178.2	0	0	0	0	0	113.8	V320 E321 H322 L328 V332 P350 F352 T354	V320-A324 VanDerWaalsContact O-CB 3.26Å; V320-A324 WeakPolarHBondContact O-CB 3.32Å; V320-A324 PolarHBondContact O-N 3.12Å; E321-A324 PolarHBondContact O-N 2.93Å; H322-A324 VanDerWaalsContact C-N 3.28Å; H322-A324 PolarHBondContact O-N 3.4Å; A324-L328 HydrophobicContact CB-CD1 3.91Å; A324-L328 WeakPolarHBondContact O-CB 3.43Å; A324-V332 HydrophobicContact CB-CG2 4.44Å; A324-P350 HydrophobicContact CB-CB 4Å; A324-P350 HydrophobicContact CB-CG 3.5Å; A324-P350 VanDerWaalsContact CB-CG 3.5Å; A324-F352 HydrophobicContact CB-CE2 4.36Å; A324-F352 HydrophobicContact CB-CZ 4.41Å; A324-T354 WeakPolarHBondContact O-CG2 3.35Å
325	F	90.5	Very high	78.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-72.2	-44	-176.8	-173.5	-96.9	0	0	0	112.6	D81 Y82 F119 E321 H322 F352 H353 T354 E355 L358	D81-F325 HydrophobicContact CB-CE2 4.44Å; Y82-F325 AromaticContact CD1-CE1 3.82Å; Y82-F325 HydrophobicContact CD1-CE1 3.82Å; Y82-F325 AromaticContact CD1-CZ 3.55Å; Y82-F325 HydrophobicContact CD1-CZ 3.55Å; Y82-F325 AromaticContact CE1-CE1 3.58Å; Y82-F325 HydrophobicContact CE1-CE1 3.58Å; Y82-F325 AromaticContact CE1-CZ 3.51Å; Y82-F325 HydrophobicContact CE1-CZ 3.51Å; Y82-F325 HydrophobicContact CG-CZ 4.15Å; F119-F325 HydrophobicContact CB-CD1 3.71Å; F119-F325 HydrophobicContact CB-CE1 3.54Å; F119-F325 HydrophobicContact CB-CG 4.32Å; F119-F325 HydrophobicContact CB-CZ 4.02Å; F119-F325 HydrophobicContact CD1-CB 4.17Å; F119-F325 HydrophobicContact CD1-CD1 4.1Å; F119-F325 HydrophobicContact CD1-CG 4.09Å; F119-F325 HydrophobicContact CD2-CB 4.29Å; F119-F325 AromaticContact CD2-CD1 3.88Å; F119-F325 HydrophobicContact CD2-CD1 3.88Å; F119-F325 AromaticContact CD2-CD2 3.45Å; F119-F325 HydrophobicContact CD2-CD2 3.45Å; F119-F325 VanDerWaalsContact CD2-CD2 3.45Å; F119-F325 HydrophobicContact CD2-CE1 4.01Å; F119-F325 AromaticContact CD2-CE2 3.61Å; F119-F325 HydrophobicContact CD2-CE2 3.61Å; F119-F325 AromaticContact CD2-CG 3.59Å; F119-F325 HydrophobicContact CD2-CG 3.59Å; F119-F325 AromaticContact CD2-CZ 3.89Å; F119-F325 HydrophobicContact CD2-CZ 3.89Å; F119-F325 HydrophobicContact CE1-CB 3.98Å; F119-F325 HydrophobicContact CE1-CG 4.28Å; F119-F325 HydrophobicContact CE2-CB 4.11Å; F119-F325 AromaticContact CE2-CD2 3.55Å; F119-F325 HydrophobicContact CE2-CD2 3.55Å; F119-F325 HydrophobicContact CE2-CE2 4.08Å; F119-F325 AromaticContact CE2-CG 3.8Å; F119-F325 HydrophobicContact CE2-CG 3.8Å; F119-F325 HydrophobicContact CG-CB 4.31Å; F119-F325 AromaticContact CG-CD1 3.63Å; F119-F325 HydrophobicContact CG-CD1 3.63Å; F119-F325 HydrophobicContact CG-CD2 4.08Å; F119-F325 AromaticContact CG-CE1 3.88Å; F119-F325 HydrophobicContact CG-CE1 3.88Å; F119-F325 HydrophobicContact CG-CE2 4.31Å; F119-F325 AromaticContact CG-CG 3.74Å; F119-F325 HydrophobicContact CG-CG 3.74Å; F119-F325 HydrophobicContact CG-CZ 4.22Å; F119-F325 HydrophobicContact CZ-CB 3.94Å; F119-F325 HydrophobicContact CZ-CD2 4.25Å; F119-F325 HydrophobicContact CZ-CG 4.13Å; E321-F325 WeakPolarHBondContact O-CB 3.41Å; E321-F325 PolarHBondContact O-N 3.39Å; H322-F325 PolarHBondContact O-N 2.94Å; H322-F325 VanDerWaalsContact O-N 3.14Å; F325-F352 HydrophobicContact CB-CD2 4.48Å; F325-F352 HydrophobicContact CB-CE2 3.71Å; F325-F352 HydrophobicContact CB-CZ 4.15Å; F325-F352 AromaticContact CD2-CD2 3.78Å; F325-F352 HydrophobicContact CD2-CD2 3.78Å; F325-F352 AromaticContact CD2-CE2 3.86Å; F325-F352 HydrophobicContact CD2-CE2 3.86Å; F325-F352 HydrophobicContact CD2-CG 4.48Å; F325-F352 HydrophobicContact CG-CE2 4.3Å; F325-H353 WeakPolarHBondContact CD2-O 3.5Å; F325-H353 WeakPolarHBondContact CE2-O 3.36Å; F325-T354 WeakPolarHBondContact O-CB 3.39Å; F325-E355 HydrophobicContact CD1-CB 4.13Å; F325-E355 HydrophobicContact CE1-CB 3.71Å; F325-E355 HydrophobicContact CZ-CB 4.12Å; F325-E355 PolarHBondContact O-N 3.4Å; F325-L358 HydrophobicContact CE2-CD1 4.1Å; F325-L358 HydrophobicContact CZ-CD1 3.96Å
326	F	88.7	Confident	76.8	Confident	33 Å²	33	40.6 Å²	40.6	15%	0.145	22%	0.223	C	C	.	.	H	α-helix	trans	-92.4	-29.1	-173.6	-66	-69	0	0	0	114.4	F119 F120 P253 H322 E355	F119-F326 HydrophobicContact CB-CE2 4.28Å; F119-F326 HydrophobicContact CB-CZ 3.85Å; F119-F326 HydrophobicContact CD1-CE2 4.01Å; F119-F326 HydrophobicContact CD1-CZ 4.44Å; F119-F326 HydrophobicContact CG-CE2 4.49Å; F120-F326 WeakPolarHBondContact O-CE1 3.32Å; F120-F326 VanDerWaalsContact O-CZ 3.24Å; F120-F326 WeakPolarHBondContact O-CZ 3.22Å; P253-F326 HydrophobicContact CB-CD1 3.81Å; P253-F326 HydrophobicContact CB-CE1 3.55Å; P253-F326 HydrophobicContact CB-CE2 4.3Å; P253-F326 HydrophobicContact CB-CG 4.3Å; P253-F326 HydrophobicContact CB-CZ 3.82Å; P253-F326 HydrophobicContact CG-CE1 3.9Å; P253-F326 HydrophobicContact CG-CE2 4.38Å; P253-F326 HydrophobicContact CG-CZ 3.76Å; P253-F326 WeakPolarHBondContact O-CB 3.43Å; H322-F326 HydrophobicContact CB-CD2 4.22Å; H322-F326 HydrophobicContact CB-CE2 4.43Å; H322-F326 AromaticContact CD2-CE2 3.73Å; H322-F326 VanDerWaalsContact O-CD2 3.26Å; H322-F326 WeakPolarHBondContact O-CD2 3.49Å; H322-F326 PolarHBondContact O-N 3.01Å; F326-E355 WeakPolarHBondContact CD1-OE2 3.23Å; F326-E355 WeakPolarHBondContact CE1-OE2 3.47Å
327	R	81.4	Confident	74.7	Confident	43 Å²	43	49.5 Å²	49.5	16%	0.162	26%	0.262	C	S	.	.	H	α-helix	trans	-92.1	-33.6	-176.4	-168.1	-174.9	172.6	166.1	-7	113.9	W270 P271 I273 H323 N544	W270-R327 HydrophobicContact CB-CB 4.28Å; W270-R327 WeakPolarHBondContact O-CD 3.28Å; W270-R327 PolarHBondContact O-NH1 3.24Å; P271-R327 VanDerWaalsContact O-CZ 3.28Å; P271-R327 PolarHBondContact O-NH1 3.47Å; P271-R327 PolarHBondContact O-NH2 3.11Å; I273-R327 PolarHBondContact O-NH1 3.32Å; H323-R327 WeakPolarHBondContact NE2-CD 3.35Å; H323-R327 PolarHBondContact NE2-NH1 3.23Å; H323-R327 WeakPolarHBondContact O-CB 3.46Å; H323-R327 PolarHBondContact O-N 2.88Å; R327-N544 PolarHBondContact NH2-OD1 3.27Å
328	L	73.9	Confident	72.7	Confident	32 Å²	32	54.3 Å²	54.3	17%	0.168	29%	0.285	C	S	.	.			trans	-89.7	127.6	-167.7	-54.6	176.4	0	0	0	111	A324 D330 V332 T354 Y542	A324-L328 HydrophobicContact CB-CD1 3.91Å; A324-L328 WeakPolarHBondContact O-CB 3.43Å; L328-D330 VanDerWaalsContact CB-O 3.27Å; L328-D330 WeakPolarHBondContact CB-O 3.35Å; L328-D330 PolarHBondContact O-N 3.36Å; L328-V332 HydrophobicContact CD1-CG2 3.34Å; L328-T354 HydrophobicContact CB-CG2 4.11Å; L328-T354 WeakPolarHBondContact O-CB 3.41Å; L328-T354 WeakPolarHBondContact O-CG2 3.45Å; L328-T354 PolarHBondContact O-OG1 3.21Å; L328-Y542 HydrophobicContact CD1-CE1 4.47Å; L328-Y542 HydrophobicContact CD2-CD1 4.35Å
329	T	65.1	Low	70.8	Confident	27 Å²	27	63.9 Å²	63.9	17%	0.166	33%	0.327	C	S	.	.	S	Bend	trans	-74.2	-16.1	169.7	54.4	0	0	0	0	112.9	Y356 Q357 N546	T329-Y356 HydrophobicContact CG2-CD1 3.81Å; T329-Y356 HydrophobicContact CG2-CD2 3.99Å; T329-Y356 HydrophobicContact CG2-CE1 4Å; T329-Y356 HydrophobicContact CG2-CE2 4.19Å; T329-Y356 HydrophobicContact CG2-CG 3.79Å; T329-Y356 WeakPolarHBondContact O-CD1 3.46Å; T329-Q357 WeakPolarHBondContact O-CG 3.45Å; T329-N546 WeakPolarHBondContact CG2-ND2 3.39Å; T329-N546 PolarHBondContact OG1-ND2 2.88Å; T329-N546 VanDerWaalsContact OG1-ND2 3.15Å
330	D	53.7	Low	68.7	Low	88 Å²	88	71.1 Å²	71.1	47%	0.471	36%	0.361	S	S	.	.	S	Bend	trans	-131.2	151.7	178.9	-83.9	-59.1	0	0	0	111.8	L328 V332 Q357 F364	L328-D330 VanDerWaalsContact CB-O 3.27Å; L328-D330 WeakPolarHBondContact CB-O 3.35Å; L328-D330 PolarHBondContact O-N 3.36Å; D330-V332 PolarHBondContact O-N 3.3Å; D330-Q357 PolarHBondContact OD1-NE2 3.01Å; D330-F364 VanDerWaalsContact OD1-CE1 3.26Å; D330-F364 WeakPolarHBondContact OD1-CE1 3.31Å
331	R	56.2	Low	66.8	Low	119 Å²	119	78.6 Å²	78.6	45%	0.449	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-53.8	135	168.1	-71.5	-178	163.9	152.2	-1.2	110.5	P333 F352 H353	R331-P333 WeakPolarHBondContact O-CD 3.44Å; R331-F352 PolarHBondContact NE-O 3.37Å; R331-H353 PolarHBondContact NH2-CD2 3.46Å; R331-H353 PolarHBondContact NH2-CE1 3.35Å; R331-H353 VanDerWaalsContact NH2-CG 3.25Å; R331-H353 PolarHBondContact NH2-ND1 3.49Å; R331-H353 PolarHBondContact NH2-NE2 3.39Å
332	V	56.3	Low	64.9	Low	48 Å²	48	86.6 Å²	86.6	29%	0.291	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-52.1	116.3	163.7	-177.4	0	0	0	0	107.9	A324 L328 D330 A334 P350	A324-V332 HydrophobicContact CB-CG2 4.44Å; L328-V332 HydrophobicContact CD1-CG2 3.34Å; D330-V332 PolarHBondContact O-N 3.3Å; V332-A334 PolarHBondContact O-N 3.12Å; V332-A334 VanDerWaalsContact O-N 3.14Å; V332-P350 HydrophobicContact CG2-CG 4.4Å
333	P	48.7	Very low	62.9	Low	108 Å²	108	94.2 Å²	94.2	70%	0.701	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-59.8	124.2	-179.3	-25	35.2	0	0	0	109.4	R331 E335	R331-P333 WeakPolarHBondContact O-CD 3.44Å; P333-E335 PolarHBondContact O-N 3.4Å
334	A	54.7	Low	61.2	Low	84 Å²	84	101.5 Å²	101.5	69%	0.694	50%	0.501	S	S	*	.			trans	-60.2	113.4	171.4	0	0	0	0	0	107.7	V332	V332-A334 PolarHBondContact O-N 3.12Å; V332-A334 VanDerWaalsContact O-N 3.14Å
335	E	53.7	Low	59.2	Low	93 Å²	93	107 Å²	107	44%	0.435	52%	0.522	S	S	.	.			trans	-51.5	132.5	-173.6	-97.4	-172.5	-106.7	0	0	110.3	P333 K337 R347	P333-E335 PolarHBondContact O-N 3.4Å; E335-K337 PolarHBondContact O-N 3.1Å; E335-R347 IonicContact OE1-CZ 2.68Å; E335-R347 IonicContact OE1-NE 3.09Å; E335-R347 IonicContact OE1-NH1 2.74Å; E335-R347 PolarHBondContact OE1-NH1 3.48Å; E335-R347 IonicContact OE1-NH2 3.95Å; E335-R347 IonicContact OE2-CZ 3.84Å; E335-R347 IonicContact OE2-NH1 2.66Å; E335-R347 PolarHBondContact OE2-NH1 2.97Å; E335-R347 IonicContact OE2-NH2 2.83Å
336	P	49.6	Very low	57.3	Low	103 Å²	103	109.9 Å²	109.9	67%	0.669	54%	0.542	S	S	*	.			trans	-53.9	140.3	-173.3	20.8	-32.4	0	0	0	110.1	Q338	P336-Q338 PolarHBondContact O-N 3.25Å
337	K	53	Low	55.8	Low	190 Å²	190	113.3 Å²	113.3	83%	0.826	55%	0.554	S	S	*	*			trans	-71.1	59.8	-178.6	-63.5	178.3	-177.7	173.2	0	111.4	E335 K339	E335-K337 PolarHBondContact O-N 3.1Å; K337-K339 PolarHBondContact O-N 3.37Å
338	Q	51.4	Low	54.6	Low	149 Å²	149	112 Å²	112	70%	0.696	55%	0.549	S	S	*	.			trans	-56.9	139.2	166.3	-79.9	-165.2	-13	0	0	109.2	P336 Q340	P336-Q338 PolarHBondContact O-N 3.25Å; Q338-Q340 PolarHBondContact O-N 3.15Å
339	K	52.7	Low	54.1	Low	203 Å²	203	112.9 Å²	112.9	88%	0.883	55%	0.552	S	S	*	*			trans	-75.4	46.1	-170.4	-60.6	177.7	179	176.5	0	112.9	K337 L341	K337-K339 PolarHBondContact O-N 3.37Å; K339-L341 PolarHBondContact O-N 3.25Å; K339-L341 VanDerWaalsContact O-N 3.16Å
340	Q	51.1	Low	53.9	Low	152 Å²	152	112.6 Å²	112.6	71%	0.71	55%	0.551	S	S	*	*			trans	-75.1	105.1	174.6	-71.7	-165.7	-5.4	0	0	110.2	Q338 F342	Q338-Q340 PolarHBondContact O-N 3.15Å; Q340-F342 PolarHBondContact O-N 2.82Å
341	L	54.1	Low	54.8	Low	157 Å²	157	111.3 Å²	111.3	82%	0.822	55%	0.549	S	S	*	.	S	Bend	trans	-67	-2.9	-172.4	-72	163.2	0	0	0	115.3	K339	K339-L341 PolarHBondContact O-N 3.25Å; K339-L341 VanDerWaalsContact O-N 3.16Å
342	F	53.1	Low	55.9	Low	182 Å²	182	106.4 Å²	106.4	80%	0.798	53%	0.531	S	S	*	.			trans	-125.3	61	-176.3	-62.4	-74.5	0	0	0	112.6	Q340 L344	Q340-F342 PolarHBondContact O-N 2.82Å; F342-L344 VanDerWaalsContact C-N 3.26Å; F342-L344 PolarHBondContact O-N 3.09Å
343	R	52.1	Low	57	Low	165 Å²	165	106.9 Å²	106.9	62%	0.623	53%	0.53	S	S	*	.			trans	-81	59	-175.2	-152	174.7	-162.1	162	6.1	113.7	R345	R343-R345 VanDerWaalsContact C-N 3.26Å; R343-R345 PolarHBondContact O-N 2.97Å
344	L	54.4	Low	58.6	Low	153 Å²	153	101.9 Å²	101.9	80%	0.801	50%	0.497	S	S	*	.			trans	-77.2	2.2	179.4	-82.7	156.7	0	0	0	115	F342	F342-L344 VanDerWaalsContact C-N 3.26Å; F342-L344 PolarHBondContact O-N 3.09Å
345	R	49.6	Very low	59.9	Low	119 Å²	119	98.5 Å²	98.5	45%	0.449	47%	0.467	S	S	.	.			trans	-102.1	126.1	-173.9	-163.2	173.3	-175.8	-168.1	-0.8	112.4	R343 R347 K537	R343-R345 VanDerWaalsContact C-N 3.26Å; R343-R345 PolarHBondContact O-N 2.97Å; R345-R347 VanDerWaalsContact C-N 3.33Å; R345-R347 HydrophobicContact CG-CG 4.43Å; R345-R347 PolarHBondContact O-N 3.49Å; R345-K537 VanDerWaalsContact CZ-O 3.3Å; R345-K537 PolarHBondContact NE-O 3.04Å; R345-K537 PolarHBondContact NH2-O 2.87Å
346	S	50.3	Low	61.1	Low	60 Å²	60	98.6 Å²	98.6	42%	0.42	46%	0.464	S	S	.	.			trans	-77.9	71.2	176.6	171.8	0	0	0	0	112	F348	S346-F348 PolarHBondContact O-N 3.33Å
347	R	56.6	Low	62.4	Low	105 Å²	105	94.2 Å²	94.2	40%	0.396	44%	0.435	S	S	.	.			trans	-74.5	121.4	170.4	-68.2	-169.2	-179.8	157.2	-5.3	111	E335 R345	E335-R347 IonicContact OE1-CZ 2.68Å; E335-R347 IonicContact OE1-NE 3.09Å; E335-R347 IonicContact OE1-NH1 2.74Å; E335-R347 PolarHBondContact OE1-NH1 3.48Å; E335-R347 IonicContact OE1-NH2 3.95Å; E335-R347 IonicContact OE2-CZ 3.84Å; E335-R347 IonicContact OE2-NH1 2.66Å; E335-R347 PolarHBondContact OE2-NH1 2.97Å; E335-R347 IonicContact OE2-NH2 2.83Å; R345-R347 VanDerWaalsContact C-N 3.33Å; R345-R347 HydrophobicContact CG-CG 4.43Å; R345-R347 PolarHBondContact O-N 3.49Å
348	F	56.3	Low	63.7	Low	14 Å²	14	85.5 Å²	85.5	6%	0.061	40%	0.397	C	S	.	.			trans	-86.2	138.4	170.2	177.2	-103.1	0	0	0	109.4	W316 K317 V320 E321 S346 P350	W316-F348 HydrophobicContact CH2-CB 3.98Å; W316-F348 HydrophobicContact CZ3-CB 3.94Å; K317-F348 HydrophobicContact CD-CD2 4.38Å; K317-F348 HydrophobicContact CG-CD2 4.27Å; K317-F348 HydrophobicContact CG-CG 4.32Å; V320-F348 HydrophobicContact CG1-CD1 3.77Å; V320-F348 HydrophobicContact CG1-CE1 3.98Å; E321-F348 HydrophobicContact CG-CE1 3.47Å; E321-F348 VanDerWaalsContact CG-CE1 3.47Å; E321-F348 HydrophobicContact CG-CZ 3.39Å; E321-F348 WeakPolarHBondContact OE1-CZ 3.1Å; S346-F348 PolarHBondContact O-N 3.33Å; F348-P350 HydrophobicContact CE1-CG 4.13Å
349	H	63.7	Low	65	Low	51 Å²	51	81 Å²	81	24%	0.236	38%	0.376	C	S	.	.			trans	-133.9	122.8	177	-64.7	72	0	0	0	107.5
350	P	61	Low	66.1	Low	22 Å²	22	73.4 Å²	73.4	14%	0.143	35%	0.345	C	S	.	.			trans	-52.3	141.4	164.8	-28	37.4	0	0	0	111.5	A324 V332 F348 F352	A324-P350 HydrophobicContact CB-CB 4Å; A324-P350 HydrophobicContact CB-CG 3.5Å; A324-P350 VanDerWaalsContact CB-CG 3.5Å; V332-P350 HydrophobicContact CG2-CG 4.4Å; F348-P350 HydrophobicContact CE1-CG 4.13Å; P350-F352 HydrophobicContact CB-CE1 3.89Å; P350-F352 HydrophobicContact CB-CE2 3.89Å; P350-F352 HydrophobicContact CB-CZ 3.58Å; P350-F352 HydrophobicContact CG-CZ 4.36Å
351	S	72.1	Confident	66.9	Low	60 Å²	60	68.5 Å²	68.5	42%	0.42	32%	0.324	S	S	.	.			trans	-137.9	47.3	-174.9	71.4	0	0	0	0	112.4	P97	P97-S351 WeakPolarHBondContact CG-OG 3.36Å
352	F	79.1	Confident	67.2	Low	16 Å²	16	69 Å²	69	7%	0.07	33%	0.327	C	S	.	.	S	Bend	trans	-131.8	168.7	-179.5	38	-107.3	0	0	0	109.5	D81 F119 E321 A324 F325 R331 P350	D81-F352 HydrophobicContact CB-CB 3.95Å; D81-F352 WeakPolarHBondContact OD1-CA 3.45Å; D81-F352 VanDerWaalsContact OD1-CB 3.22Å; D81-F352 WeakPolarHBondContact OD1-CB 3.42Å; F119-F352 HydrophobicContact CE2-CD1 4.15Å; F119-F352 AromaticContact CE2-CE1 3.98Å; F119-F352 HydrophobicContact CE2-CE1 3.98Å; F119-F352 HydrophobicContact CE2-CE2 4.45Å; F119-F352 HydrophobicContact CE2-CG 4.44Å; F119-F352 HydrophobicContact CE2-CZ 4.1Å; F119-F352 HydrophobicContact CZ-CD1 4.35Å; F119-F352 AromaticContact CZ-CE1 3.73Å; F119-F352 HydrophobicContact CZ-CE1 3.73Å; F119-F352 HydrophobicContact CZ-CE2 4.38Å; F119-F352 AromaticContact CZ-CZ 3.71Å; F119-F352 HydrophobicContact CZ-CZ 3.71Å; E321-F352 HydrophobicContact CB-CE1 4.16Å; E321-F352 HydrophobicContact CB-CZ 4.09Å; E321-F352 HydrophobicContact CG-CE1 4.1Å; E321-F352 HydrophobicContact CG-CZ 4.38Å; E321-F352 WeakPolarHBondContact O-CZ 3.43Å; A324-F352 HydrophobicContact CB-CE2 4.36Å; A324-F352 HydrophobicContact CB-CZ 4.41Å; F325-F352 HydrophobicContact CB-CD2 4.48Å; F325-F352 HydrophobicContact CB-CE2 3.71Å; F325-F352 HydrophobicContact CB-CZ 4.15Å; F325-F352 AromaticContact CD2-CD2 3.78Å; F325-F352 HydrophobicContact CD2-CD2 3.78Å; F325-F352 AromaticContact CD2-CE2 3.86Å; F325-F352 HydrophobicContact CD2-CE2 3.86Å; F325-F352 HydrophobicContact CD2-CG 4.48Å; F325-F352 HydrophobicContact CG-CE2 4.3Å; R331-F352 PolarHBondContact NE-O 3.37Å; P350-F352 HydrophobicContact CB-CE1 3.89Å; P350-F352 HydrophobicContact CB-CE2 3.89Å; P350-F352 HydrophobicContact CB-CZ 3.58Å; P350-F352 HydrophobicContact CG-CZ 4.36Å
353	H	79.4	Confident	67.5	Low	59 Å²	59	65.9 Å²	65.9	27%	0.273	32%	0.316	S	S	.	.			trans	-73.6	150.3	157.3	-56.7	94.4	0	0	0	109.3	D81 F325 R331 Q357 L358	D81-H353 WeakPolarHBondContact OD2-CB 3.47Å; D81-H353 IonicContact OD2-CE1 2.68Å; D81-H353 IonicContact OD2-CG 3.14Å; D81-H353 PolarHBondContact OD2-N 2.93Å; D81-H353 IonicContact OD2-ND1 3.49Å; D81-H353 PolarHBondContact OD2-ND1 3.09Å; F325-H353 WeakPolarHBondContact CD2-O 3.5Å; F325-H353 WeakPolarHBondContact CE2-O 3.36Å; R331-H353 PolarHBondContact NH2-CD2 3.46Å; R331-H353 PolarHBondContact NH2-CE1 3.35Å; R331-H353 VanDerWaalsContact NH2-CG 3.25Å; R331-H353 PolarHBondContact NH2-ND1 3.49Å; R331-H353 PolarHBondContact NH2-NE2 3.39Å; H353-Q357 HydrophobicContact CB-CB 3.99Å; H353-L358 HydrophobicContact CB-CD2 3.84Å; H353-L358 HydrophobicContact CB-CG 4.09Å
354	T	82.1	Confident	67.7	Low	3 Å²	3	61.8 Å²	61.8	2%	0.018	30%	0.303	C	S	.	.			trans	-81.6	163.5	173.5	67.6	0	0	0	0	109.9	A324 F325 L328 Y356 Q357 L358	A324-T354 WeakPolarHBondContact O-CG2 3.35Å; F325-T354 WeakPolarHBondContact O-CB 3.39Å; L328-T354 HydrophobicContact CB-CG2 4.11Å; L328-T354 WeakPolarHBondContact O-CB 3.41Å; L328-T354 WeakPolarHBondContact O-CG2 3.45Å; L328-T354 PolarHBondContact O-OG1 3.21Å; T354-Y356 VanDerWaalsContact C-N 3.26Å; T354-Y356 PolarHBondContact O-N 3.03Å; T354-Q357 WeakPolarHBondContact O-CA 3.29Å; T354-Q357 WeakPolarHBondContact O-CB 3.23Å; T354-Q357 PolarHBondContact O-N 3.36Å; T354-Q357 WeakPolarHBondContact OG1-CG 3.09Å; T354-Q357 PolarHBondContact OG1-N 2.81Å; T354-L358 PolarHBondContact O-N 3.06Å
355	E	82.5	Confident	67.1	Low	13 Å²	13	56.5 Å²	56.5	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-53.3	-46.8	179	178.3	157.1	-123.5	0	0	111.1	Y82 A121 S122 N126 F325 F326 Q357 L358 H359	Y82-E355 WeakPolarHBondContact OH-CG 3.5Å; Y82-E355 PolarHBondContact OH-OE1 3.08Å; A121-E355 WeakPolarHBondContact CA-OE1 3.49Å; S122-E355 PolarHBondContact N-OE1 3.33Å; S122-E355 PolarHBondContact OG-OE2 3.14Å; N126-E355 PolarHBondContact ND2-OE1 3.01Å; N126-E355 VanDerWaalsContact ND2-OE1 3.12Å; F325-E355 HydrophobicContact CD1-CB 4.13Å; F325-E355 HydrophobicContact CE1-CB 3.71Å; F325-E355 HydrophobicContact CZ-CB 4.12Å; F325-E355 PolarHBondContact O-N 3.4Å; F326-E355 WeakPolarHBondContact CD1-OE2 3.23Å; F326-E355 WeakPolarHBondContact CE1-OE2 3.47Å; E355-Q357 VanDerWaalsContact C-N 3.28Å; E355-Q357 PolarHBondContact O-N 2.73Å; E355-L358 PolarHBondContact O-N 3.36Å; E355-L358 VanDerWaalsContact O-N 3.08Å; E355-H359 WeakPolarHBondContact CG-CE1 3.36Å; E355-H359 WeakPolarHBondContact CG-NE2 3.06Å; E355-H359 PolarHBondContact O-CD2 2.54Å; E355-H359 PolarHBondContact O-N 3.2Å; E355-H359 PolarHBondContact O-NE2 2.96Å
356	Y	77.9	Confident	66.8	Low	94 Å²	94	55 Å²	55	37%	0.369	29%	0.294	S	S	.	.	H	α-helix	trans	-56.4	-37.2	174.6	-174.4	-95.6	0	0	0	113.7	T329 T354 N360 M363 F364	T329-Y356 HydrophobicContact CG2-CD1 3.81Å; T329-Y356 HydrophobicContact CG2-CD2 3.99Å; T329-Y356 HydrophobicContact CG2-CE1 4Å; T329-Y356 HydrophobicContact CG2-CE2 4.19Å; T329-Y356 HydrophobicContact CG2-CG 3.79Å; T329-Y356 WeakPolarHBondContact O-CD1 3.46Å; T354-Y356 VanDerWaalsContact C-N 3.26Å; T354-Y356 PolarHBondContact O-N 3.03Å; Y356-N360 WeakPolarHBondContact CE2-ND2 3.21Å; Y356-N360 VanDerWaalsContact O-CB 3.26Å; Y356-N360 WeakPolarHBondContact O-CB 3.48Å; Y356-N360 PolarHBondContact O-N 2.62Å; Y356-N360 VanDerWaalsContact O-N 3.12Å; Y356-N360 PolarHBondContact O-ND2 3.4Å; Y356-M363 HydrophobicContact CE1-CE 4.16Å; Y356-M363 WeakPolarHBondContact OH-CE 3.22Å; Y356-F364 AromaticContact CD1-CE2 3.76Å; Y356-F364 HydrophobicContact CD1-CE2 3.76Å; Y356-F364 HydrophobicContact CD1-CZ 4.07Å; Y356-F364 AromaticContact CE1-CE2 3.64Å; Y356-F364 HydrophobicContact CE1-CE2 3.64Å; Y356-F364 AromaticContact CE1-CZ 3.8Å; Y356-F364 HydrophobicContact CE1-CZ 3.8Å
357	Q	77.9	Confident	66.4	Low	12 Å²	12	57.8 Å²	57.8	6%	0.056	31%	0.313	C	S	.	.	H	α-helix	trans	-75	-29.2	178.3	-72.6	-170.5	-23.4	0	0	113.2	T329 D330 H353 T354 E355 N360 L361 F364	T329-Q357 WeakPolarHBondContact O-CG 3.45Å; D330-Q357 PolarHBondContact OD1-NE2 3.01Å; H353-Q357 HydrophobicContact CB-CB 3.99Å; T354-Q357 WeakPolarHBondContact O-CA 3.29Å; T354-Q357 WeakPolarHBondContact O-CB 3.23Å; T354-Q357 PolarHBondContact O-N 3.36Å; T354-Q357 WeakPolarHBondContact OG1-CG 3.09Å; T354-Q357 PolarHBondContact OG1-N 2.81Å; E355-Q357 VanDerWaalsContact C-N 3.28Å; E355-Q357 PolarHBondContact O-N 2.73Å; Q357-N360 CarbonylContact O-C 3.55Å; Q357-L361 PolarHBondContact O-N 3.07Å; Q357-F364 HydrophobicContact CB-CD2 4.22Å; Q357-F364 HydrophobicContact CG-CD2 3.87Å; Q357-F364 HydrophobicContact CG-CE2 3.9Å; Q357-F364 HydrophobicContact CG-CG 4.22Å; Q357-F364 HydrophobicContact CG-CZ 4.27Å
358	L	80.4	Confident	65.8	Low	7 Å²	7	57.8 Å²	57.8	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-42.5	176	-66.9	173.1	0	0	0	110.9	D81 Y82 F325 H353 T354 E355 L361	D81-L358 HydrophobicContact CB-CD1 4.24Å; D81-L358 HydrophobicContact CB-CD2 4.46Å; Y82-L358 HydrophobicContact CD2-CD1 3.78Å; Y82-L358 HydrophobicContact CE2-CD1 3.51Å; F325-L358 HydrophobicContact CE2-CD1 4.1Å; F325-L358 HydrophobicContact CZ-CD1 3.96Å; H353-L358 HydrophobicContact CB-CD2 3.84Å; H353-L358 HydrophobicContact CB-CG 4.09Å; T354-L358 PolarHBondContact O-N 3.06Å; E355-L358 PolarHBondContact O-N 3.36Å; E355-L358 VanDerWaalsContact O-N 3.08Å; L358-L361 VanDerWaalsContact O-CD1 3.25Å; L358-L361 WeakPolarHBondContact O-CD1 3.49Å; L358-L361 VanDerWaalsContact O-CG 3.26Å; L358-L361 WeakPolarHBondContact O-CG 3.44Å
359	H	79.1	Confident	65.1	Low	53 Å²	53	66.3 Å²	66.3	25%	0.245	37%	0.367	C	S	.	.	H	α-helix	trans	-72.2	-36	176.2	-41.7	151.7	0	0	0	111.5	Y82 N126 E355 L361	Y82-H359 PolarHBondContact OH-NE2 2.76Å; N126-H359 VanDerWaalsContact CB-NE2 3.25Å; N126-H359 WeakPolarHBondContact CB-NE2 3.29Å; N126-H359 PolarHBondContact ND2-CE1 3.16Å; N126-H359 PolarHBondContact OD1-CE1 3.28Å; E355-H359 WeakPolarHBondContact CG-CE1 3.36Å; E355-H359 WeakPolarHBondContact CG-NE2 3.06Å; E355-H359 PolarHBondContact O-CD2 2.54Å; E355-H359 PolarHBondContact O-N 3.2Å; E355-H359 PolarHBondContact O-NE2 2.96Å; H359-L361 PolarHBondContact O-N 2.92Å
360	N	75.5	Confident	63.8	Low	44 Å²	44	75.1 Å²	75.1	24%	0.235	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	31.3	-176.2	-63.1	-75.5	0	0	0	113.5	Y356 Q357 N362 M363 F364	Y356-N360 WeakPolarHBondContact CE2-ND2 3.21Å; Y356-N360 VanDerWaalsContact O-CB 3.26Å; Y356-N360 WeakPolarHBondContact O-CB 3.48Å; Y356-N360 PolarHBondContact O-N 2.62Å; Y356-N360 VanDerWaalsContact O-N 3.12Å; Y356-N360 PolarHBondContact O-ND2 3.4Å; Q357-N360 CarbonylContact O-C 3.55Å; N360-N362 PolarHBondContact O-N 3.33Å; N360-M363 HydrophobicContact CB-CB 4.31Å; N360-M363 HydrophobicContact CB-CE 3.8Å; N360-M363 HydrophobicContact CB-CG 4.4Å; N360-M363 PolarHBondContact O-N 3.39Å; N360-F364 HydrophobicContact CB-CD2 3.95Å; N360-F364 HydrophobicContact CB-CE2 3.88Å; N360-F364 WeakPolarHBondContact O-CD2 3.34Å; N360-F364 PolarHBondContact O-N 2.76Å; N360-F364 VanDerWaalsContact O-N 3.12Å
361	L	67.7	Low	62.8	Low	50 Å²	50	84 Å²	84	26%	0.262	43%	0.434	S	S	.	.	H	α-helix	trans	-48.1	-36.2	176.4	-83.7	162.2	0	0	0	112.9	Q357 L358 H359 F364 G365	Q357-L361 PolarHBondContact O-N 3.07Å; L358-L361 VanDerWaalsContact O-CD1 3.25Å; L358-L361 WeakPolarHBondContact O-CD1 3.49Å; L358-L361 VanDerWaalsContact O-CG 3.26Å; L358-L361 WeakPolarHBondContact O-CG 3.44Å; H359-L361 PolarHBondContact O-N 2.92Å; L361-F364 PolarHBondContact O-N 3.29Å; L361-G365 PolarHBondContact O-N 2.78Å
362	N	61.4	Low	61.2	Low	166 Å²	166	91.7 Å²	91.7	89%	0.888	45%	0.454	S	S	*	.	H	α-helix	trans	-67.1	-31.4	176.6	-72.1	-31	0	0	0	114	N360	N360-N362 PolarHBondContact O-N 3.33Å
363	M	58.1	Low	59.3	Low	118 Å²	118	101.3 Å²	101.3	58%	0.581	50%	0.496	S	S	*	.	H	α-helix	trans	-78.3	-41	173.4	-66.2	-151.3	-64.5	0	0	112.2	Y356 N360	Y356-M363 HydrophobicContact CE1-CE 4.16Å; Y356-M363 WeakPolarHBondContact OH-CE 3.22Å; N360-M363 HydrophobicContact CB-CB 4.31Å; N360-M363 HydrophobicContact CB-CE 3.8Å; N360-M363 HydrophobicContact CB-CG 4.4Å; N360-M363 PolarHBondContact O-N 3.39Å
364	F	56.7	Low	57.6	Low	78 Å²	78	107.4 Å²	107.4	34%	0.342	52%	0.521	S	S	.	.	H	α-helix	trans	-86.4	-9.7	-175.4	-66.3	-72.4	0	0	0	114.3	D330 Y356 Q357 N360 L361	D330-F364 VanDerWaalsContact OD1-CE1 3.26Å; D330-F364 WeakPolarHBondContact OD1-CE1 3.31Å; Y356-F364 AromaticContact CD1-CE2 3.76Å; Y356-F364 HydrophobicContact CD1-CE2 3.76Å; Y356-F364 HydrophobicContact CD1-CZ 4.07Å; Y356-F364 AromaticContact CE1-CE2 3.64Å; Y356-F364 HydrophobicContact CE1-CE2 3.64Å; Y356-F364 AromaticContact CE1-CZ 3.8Å; Y356-F364 HydrophobicContact CE1-CZ 3.8Å; Q357-F364 HydrophobicContact CB-CD2 4.22Å; Q357-F364 HydrophobicContact CG-CD2 3.87Å; Q357-F364 HydrophobicContact CG-CE2 3.9Å; Q357-F364 HydrophobicContact CG-CG 4.22Å; Q357-F364 HydrophobicContact CG-CZ 4.27Å; N360-F364 HydrophobicContact CB-CD2 3.95Å; N360-F364 HydrophobicContact CB-CE2 3.88Å; N360-F364 WeakPolarHBondContact O-CD2 3.34Å; N360-F364 PolarHBondContact O-N 2.76Å; N360-F364 VanDerWaalsContact O-N 3.12Å; L361-F364 PolarHBondContact O-N 3.29Å
365	G	41.7	Very low	55.6	Low	43 Å²	43	111.7 Å²	111.7	44%	0.443	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	63.2	89	164.8	0	0	0	0	0	113.9	L361 S367	L361-G365 PolarHBondContact O-N 2.78Å; G365-S367 WeakPolarHBondContact O-CA 3.3Å; G365-S367 PolarHBondContact O-N 3.33Å
366	S	42.7	Very low	53.7	Low	87 Å²	87	118.7 Å²	118.7	61%	0.608	60%	0.595	S	S	*	*			trans	-38.2	96.3	175.7	-58.8	0	0	0	0	112.9	S368	S366-S368 PolarHBondContact O-N 2.65Å
367	S	42	Very low	51.9	Low	119 Å²	119	120.3 Å²	120.3	83%	0.832	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	4.5	-160.9	69.2	0	0	0	0	115.4	G365 F369	G365-S367 WeakPolarHBondContact O-CA 3.3Å; G365-S367 PolarHBondContact O-N 3.33Å; S367-F369 PolarHBondContact O-N 3.03Å
368	S	45.3	Very low	50.3	Low	104 Å²	104	126.3 Å²	126.3	73%	0.727	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-23.8	-173.7	-133.5	0	0	0	0	114.5	S366	S366-S368 PolarHBondContact O-N 2.65Å
369	F	41.1	Very low	48.4	Very low	194 Å²	194	131.9 Å²	131.9	85%	0.851	69%	0.686	S	S	*	*	S	Bend	trans	-119.9	5.6	-169.1	-79.2	-74.1	0	0	0	117.4	S367	S367-F369 PolarHBondContact O-N 3.03Å
370	R	37.3	Very low	46.8	Very low	235 Å²	235	135.6 Å²	135.6	89%	0.887	71%	0.712	S	S	*	*			trans	-113.4	41.9	177.1	-67.1	-168.9	-174.9	179.8	4.6	114.7	R372	R370-R372 PolarHBondContact O-N 3.28Å; R370-R372 VanDerWaalsContact O-N 3.09Å
371	K	38.2	Very low	45.2	Very low	208 Å²	208	138.4 Å²	138.4	90%	0.904	74%	0.736	S	S	*	*			trans	-80.4	89.3	166.7	-135.6	176.6	-171.1	177.8	0	110.3	K373	K371-K373 PolarHBondContact O-N 3.38Å
372	R	40	Very low	44.2	Very low	223 Å²	223	141.5 Å²	141.5	84%	0.842	76%	0.761	S	S	*	*			trans	-44.5	127.5	178.1	-69.7	170.4	165.6	148.2	-7.5	112.3	R370 K374	R370-R372 PolarHBondContact O-N 3.28Å; R370-R372 VanDerWaalsContact O-N 3.09Å; R372-K374 PolarHBondContact O-N 3.37Å
373	K	39.4	Very low	43.5	Very low	218 Å²	218	137.9 Å²	137.9	95%	0.948	75%	0.754	S	S	*	*			trans	-61.4	111.8	150.3	-85.8	-177.6	173.3	178.1	0	107.2	K371	K371-K373 PolarHBondContact O-N 3.38Å
374	K	43.3	Very low	43	Very low	186 Å²	186	138.2 Å²	138.2	81%	0.809	76%	0.763	S	S	*	*			trans	-105.4	124	160	-101.3	-169	169.4	-168.2	0	107.1	R372	R372-K374 PolarHBondContact O-N 3.37Å
375	A	38.6	Very low	42.7	Very low	93 Å²	93	139.6 Å²	139.6	77%	0.769	78%	0.783	S	S	*	*			trans	-70.1	141.3	171.2	0	0	0	0	0	109.7
376	N	42.7	Very low	43	Very low	161 Å²	161	143 Å²	143	86%	0.861	80%	0.799	S	S	*	*			trans	-117.5	119.5	161.7	-98.2	11.2	0	0	0	107.8
377	T	40	Very low	43.3	Very low	127 Å²	127	144.1 Å²	144.1	78%	0.779	81%	0.805	S	S	*	*			trans	-76.7	131.4	177.4	-51.7	0	0	0	0	110.2
378	T	45.5	Very low	43.5	Very low	139 Å²	139	145.8 Å²	145.8	85%	0.853	80%	0.804	S	S	*	*			trans	-151.9	138.7	149.7	-23.2	0	0	0	0	111
379	V	39.9	Very low	43.8	Very low	123 Å²	123	146.7 Å²	146.7	75%	0.745	81%	0.806	S	S	*	*			trans	-78.1	151.7	-164.5	-170.2	0	0	0	0	112.1
380	V	44.9	Very low	44.2	Very low	131 Å²	131	143.1 Å²	143.1	79%	0.794	80%	0.802	S	S	*	*				168.3	115.2	126.1	160.8	0	0	0	0	111.9
381	S	43.4	Very low	44.6	Very low	104 Å²	104	141.8 Å²	141.8	73%	0.727	80%	0.803	S	S	*	*			trans	17.7	124	150.1	-46	0	0	0	0	122.3
382	S	46.5	Very low	45	Very low	114 Å²	114	137.8 Å²	137.8	80%	0.797	80%	0.798	S	S	*	*				169.9	142.8	93.6	45.5	0	0	0	0	113.9
383	A	46.6	Very low	45.3	Very low	90 Å²	90	132.1 Å²	132.1	74%	0.744	79%	0.793	S	S	*	*			trans	36.6	141.1	147.7	0	0	0	0	0	121.9
384	T	47.5	Very low	45.8	Very low	125 Å²	125	127.4 Å²	127.4	77%	0.767	79%	0.787	S	S	*	*			cis	-169.4	158.1	0.2	10.8	0	0	0	0	109.9
385	S	50.6	Low	46.1	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	79%	0.786	S	S	*	*			trans	56.4	137.1	156.7	55	0	0	0	0	120.3
386	S	48.2	Very low	46.7	Very low	114 Å²	114	126.7 Å²	126.7	80%	0.797	79%	0.791	S	S	*	*			cis	-157	157.1	-6.7	-84	0	0	0	0	110.3
387	P	49.2	Very low	46.8	Very low	112 Å²	112	125.3 Å²	125.3	73%	0.727	79%	0.791	S	S	*	*			trans	-107.1	166.8	-176.3	40.5	-34.4	0	0	0	114.4
388	N	46.6	Very low	47	Very low	153 Å²	153	123.1 Å²	123.1	82%	0.818	79%	0.794	S	S	*	*			trans	173	148.7	151.9	-90.3	-18.5	0	0	0	109.3
389	T	49.9	Very low	46.9	Very low	123 Å²	123	126.6 Å²	126.6	76%	0.755	80%	0.797	S	S	*	*			cis	-160.5	149.4	-41.8	8.4	0	0	0	0	107.2
390	P	50.5	Low	47.1	Very low	120 Å²	120	126 Å²	126	78%	0.779	80%	0.798	S	S	*	*			trans	-108.4	162	-169.9	39.6	-34	0	0	0	115.1
391	K	44.9	Very low	46.9	Very low	206 Å²	206	125.8 Å²	125.8	90%	0.896	80%	0.802	S	S	*	*			trans	-165.3	146	146.4	-123.2	173.8	-178.7	178.8	0	115.1
392	P	47.4	Very low	46.7	Very low	124 Å²	124	124.1 Å²	124.1	81%	0.805	80%	0.802	S	S	*	*			trans	-117.7	169.3	176.5	41.7	-32.5	0	0	0	115
393	S	46.5	Very low	46.5	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	81%	0.809	S	S	*	*			trans	-162.8	107	169.1	52.7	0	0	0	0	109.1
394	S	50	Low	46	Very low	118 Å²	118	133.2 Å²	133.2	83%	0.825	82%	0.816	S	S	*	*				89.5	147	77.9	62.3	0	0	0	0	114.7
395	P	49.5	Very low	45.6	Very low	122 Å²	122	135 Å²	135	79%	0.792	82%	0.82	S	S	*	*			trans	-124.1	169.3	-149.2	41.8	-28.5	0	0	0	116.7
396	V	49.9	Very low	44.7	Very low	143 Å²	143	135.9 Å²	135.9	87%	0.867	82%	0.824	S	S	*	*			trans	-144.4	141.5	168	-177.1	0	0	0	0	110.9
397	P	45.2	Very low	44	Very low	131 Å²	131	133.7 Å²	133.7	85%	0.851	82%	0.819	S	S	*	*			trans	-105.7	164	-171.8	39.8	-34.8	0	0	0	115.9
398	G	45	Very low	43.5	Very low	82 Å²	82	134 Å²	134	85%	0.845	82%	0.824	S	S	*	*			trans	-142.8	146.8	173.9	0	0	0	0	0	113.1
399	K	44	Very low	42.8	Very low	212 Å²	212	132.3 Å²	132.3	92%	0.922	83%	0.825	S	S	*	*			trans	-92.4	144.8	-168.3	-59.7	162.5	175.6	171.4	0	113.3
400	S	43.4	Very low	42.2	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	82%	0.823	S	S	*	*				179.3	119	122.4	57	0	0	0	0	114.1
401	S	40.7	Very low	41.8	Very low	125 Å²	125	130.6 Å²	130.6	87%	0.874	83%	0.826	S	S	*	*			trans	7.8	119.5	151.4	53	0	0	0	0	121
402	G	39.7	Very low	41.9	Very low	70 Å²	70	125.6 Å²	125.6	72%	0.722	82%	0.817	S	S	*	*			trans	-174.8	114.7	157.2	0	0	0	0	0	110.9	Q404	G402-Q404 PolarHBondContact O-N 3.06Å
403	Q	41.2	Very low	42.2	Very low	203 Å²	203	121.8 Å²	121.8	95%	0.949	79%	0.793	S	S	*	*			trans	-69.5	109.5	179.6	-79.8	175	-29	0	0	110.5
404	Q	35.4	Very low	43.4	Very low	192 Å²	192	122.5 Å²	122.5	90%	0.897	80%	0.798	S	S	*	*			trans	-86.7	109.8	166.1	-77.1	-174.1	-15.3	0	0	110	G402	G402-Q404 PolarHBondContact O-N 3.06Å
405	I	39.8	Very low	45.2	Very low	163 Å²	163	118.4 Å²	118.4	84%	0.836	77%	0.766	S	S	*	*			trans	-79.1	116.2	160.1	-62.5	175.2	0	0	0	106.8	G407	I405-G407 VanDerWaalsContact C-N 3.32Å; I405-G407 PolarHBondContact O-N 2.96Å
406	C	31.5	Very low	47	Very low	125 Å²	125	120.4 Å²	120.4	85%	0.845	76%	0.757	S	S	*	*			trans	-74.4	82.3	178.9	51.9	0	0	0	0	111.2	S408	C406-S408 PolarHBondContact O-N 2.88Å
407	G	34	Very low	49.1	Very low	67 Å²	67	116.4 Å²	116.4	69%	0.691	73%	0.727	S	S	*	*			trans	-65	122.8	167.9	0	0	0	0	0	110.7	I405 S409	I405-G407 VanDerWaalsContact C-N 3.32Å; I405-G407 PolarHBondContact O-N 2.96Å; G407-S409 PolarHBondContact O-N 2.94Å
408	S	37.6	Very low	51.3	Low	119 Å²	119	112.4 Å²	112.4	83%	0.832	70%	0.7	S	S	*	*			trans	-60.1	120.3	174	51.3	0	0	0	0	110.4	C406 G410	C406-S408 PolarHBondContact O-N 2.88Å; S408-G410 VanDerWaalsContact C-N 3.28Å; S408-G410 PolarHBondContact O-N 3.21Å
409	S	33.4	Very low	53.6	Low	118 Å²	118	112.5 Å²	112.5	83%	0.825	69%	0.686	S	S	*	*			trans	-69.5	83	175.4	58.2	0	0	0	0	110.7	G407 T411	G407-S409 PolarHBondContact O-N 2.94Å; S409-T411 PolarHBondContact O-N 3.29Å
410	G	37.4	Very low	55.9	Low	70 Å²	70	103.1 Å²	103.1	72%	0.722	65%	0.647	S	S	*	*			trans	-62.3	122	166.3	0	0	0	0	0	109	S408 S412	S408-G410 VanDerWaalsContact C-N 3.28Å; S408-G410 PolarHBondContact O-N 3.21Å; G410-S412 PolarHBondContact O-N 3.37Å
411	T	42.1	Very low	58.3	Low	137 Å²	137	105.1 Å²	105.1	84%	0.84	64%	0.641	S	S	*	*			trans	-67.1	98.3	171.8	46.1	0	0	0	0	108.4	S409 S413	S409-T411 PolarHBondContact O-N 3.29Å; T411-S413 PolarHBondContact O-N 3Å
412	S	47.4	Very low	60.8	Low	100 Å²	100	104.6 Å²	104.6	70%	0.699	62%	0.62	S	S	*	*			trans	-58.6	108.5	171	178.3	0	0	0	0	108.2	G410 S414	G410-S412 PolarHBondContact O-N 3.37Å; S412-S414 PolarHBondContact O-N 2.66Å
413	S	53.3	Low	63.4	Low	45 Å²	45	105 Å²	105	32%	0.315	60%	0.602	S	S	.	*			trans	-66.4	103.1	178.1	-175.2	0	0	0	0	108.1	T411 F415	T411-S413 PolarHBondContact O-N 3Å; S413-F415 VanDerWaalsContact C-N 3.35Å; S413-F415 WeakPolarHBondContact O-CD1 3.38Å; S413-F415 PolarHBondContact O-N 3.06Å
414	S	70.5	Confident	65.9	Low	120 Å²	120	101.1 Å²	101.1	84%	0.839	59%	0.593	S	S	*	*			trans	-76.9	89.2	179.1	-165.5	0	0	0	0	109.5	S412	S412-S414 PolarHBondContact O-N 2.66Å
415	F	87.8	Confident	68.7	Low	32 Å²	32	93.8 Å²	93.8	14%	0.14	56%	0.562	C	S	.	*			trans	-107.5	156.6	170.4	74.7	-88.6	0	0	0	110.7	E130 Y131 Y134 S413 R417	E130-F415 HydrophobicContact CB-CE1 4.05Å; E130-F415 HydrophobicContact CG-CE1 3.84Å; E130-F415 HydrophobicContact CG-CZ 4.17Å; Y131-F415 HydrophobicContact CD2-CB 3.9Å; Y131-F415 AromaticContact CD2-CD1 3.76Å; Y131-F415 HydrophobicContact CD2-CD1 3.76Å; Y131-F415 AromaticContact CD2-CD2 3.31Å; Y131-F415 HydrophobicContact CD2-CD2 3.31Å; Y131-F415 HydrophobicContact CD2-CE1 4.06Å; Y131-F415 AromaticContact CD2-CE2 3.63Å; Y131-F415 HydrophobicContact CD2-CE2 3.63Å; Y131-F415 AromaticContact CD2-CG 3.37Å; Y131-F415 HydrophobicContact CD2-CG 3.37Å; Y131-F415 AromaticContact CD2-CZ 3.98Å; Y131-F415 HydrophobicContact CD2-CZ 3.98Å; Y131-F415 HydrophobicContact CE2-CB 4.29Å; Y131-F415 AromaticContact CE2-CD2 3.75Å; Y131-F415 HydrophobicContact CE2-CD2 3.75Å; Y131-F415 HydrophobicContact CE2-CE2 4.25Å; Y131-F415 HydrophobicContact CE2-CG 4.06Å; Y131-F415 HydrophobicContact CG-CB 4.4Å; Y131-F415 HydrophobicContact CG-CD1 4.06Å; Y131-F415 HydrophobicContact CG-CD2 4.36Å; Y131-F415 HydrophobicContact CG-CE1 4.4Å; Y131-F415 HydrophobicContact CG-CG 4.02Å; Y134-F415 HydrophobicContact CD1-CD2 4.16Å; Y134-F415 AromaticContact CD1-CE2 3.45Å; Y134-F415 HydrophobicContact CD1-CE2 3.45Å; Y134-F415 VanDerWaalsContact CD1-CE2 3.45Å; Y134-F415 HydrophobicContact CD1-CZ 4.19Å; Y134-F415 HydrophobicContact CE1-CE2 4.07Å; Y134-F415 AromaticContact CG-CE2 3.7Å; Y134-F415 HydrophobicContact CG-CE2 3.7Å; Y134-F415 HydrophobicContact CG-CZ 4.07Å; S413-F415 VanDerWaalsContact C-N 3.35Å; S413-F415 WeakPolarHBondContact O-CD1 3.38Å; S413-F415 PolarHBondContact O-N 3.06Å; F415-R417 HydrophobicContact CD2-CG 4.36Å; F415-R417 HydrophobicContact CE2-CG 3.59Å; F415-R417 HydrophobicContact CZ-CG 4.31Å
416	R	88.9	Confident	71.3	Confident	163 Å²	163	88.6 Å²	88.6	62%	0.615	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-98.8	127.9	174.1	-161.4	-175.3	-146.4	170.1	10.3	110.5	H23	H23-R416 HydrophobicContact CB-CB 4.08Å; H23-R416 VanDerWaalsContact CD2-CB 3.42Å; H23-R416 WeakPolarHBondContact CD2-CB 3.45Å
417	R	93	Very high	74.2	Confident	59 Å²	59	86.9 Å²	86.9	22%	0.223	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-71.7	136.1	168.5	-67.7	168.4	169.3	84	-2.3	109.8	E130 Y134 E219 F415	E130-R417 IonicContact OE1-CZ 3.84Å; E130-R417 IonicContact OE1-NH1 2.65Å; E130-R417 PolarHBondContact OE1-NH1 3.2Å; E130-R417 IonicContact OE1-NH2 3.61Å; E130-R417 PolarHBondContact OE1-NH2 3.22Å; Y134-R417 HydrophobicContact CD2-CG 3.97Å; Y134-R417 HydrophobicContact CE1-CG 4.37Å; Y134-R417 HydrophobicContact CE2-CB 4.05Å; Y134-R417 HydrophobicContact CE2-CG 3.79Å; Y134-R417 HydrophobicContact CG-CG 4.34Å; E219-R417 VanDerWaalsContact CD-NH2 3.34Å; E219-R417 IonicContact OE1-CZ 3.42Å; E219-R417 IonicContact OE1-NE 2.59Å; E219-R417 PolarHBondContact OE1-NE 3.4Å; E219-R417 IonicContact OE1-NH2 3.35Å; E219-R417 PolarHBondContact OE1-NH2 3.15Å; E219-R417 IonicContact OE2-CZ 2.7Å; E219-R417 IonicContact OE2-NE 3.93Å; E219-R417 IonicContact OE2-NH2 2.73Å; E219-R417 PolarHBondContact OE2-NH2 3.42Å; F415-R417 HydrophobicContact CD2-CG 4.36Å; F415-R417 HydrophobicContact CE2-CG 3.59Å; F415-R417 HydrophobicContact CZ-CG 4.31Å
418	V	91.5	Very high	77.1	Confident	47 Å²	47	85.6 Å²	85.6	29%	0.285	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-87	129.3	176.7	176.5	0	0	0	0	109.8	D49 Y134	D49-V418 HydrophobicContact CB-CB 4.03Å; D49-V418 HydrophobicContact CB-CG1 4.47Å; D49-V418 HydrophobicContact CB-CG2 3.76Å; Y134-V418 PolarHBondContact OH-N 3.45Å; Y134-V418 PolarHBondContact OH-O 2.85Å
419	P	92.9	Very high	79.8	Confident	85 Å²	85	80 Å²	80	55%	0.552	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-61.8	149.4	177.2	-24.1	34.3	0	0	0	113.5	E168	E168-P419 WeakPolarHBondContact OE1-CA 3.33Å
420	S	93.1	Very high	82.5	Confident	15 Å²	15	76 Å²	76	11%	0.105	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-60.3	140.9	174.3	-74.8	0	0	0	0	112.8	R141 E168 R422	R141-S420 PolarHBondContact NH1-OG 2.94Å; R141-S420 PolarHBondContact NH2-OG 3.24Å; E168-S420 VanDerWaalsContact CD-N 3.31Å; E168-S420 WeakPolarHBondContact OE1-CB 3.49Å; E168-S420 PolarHBondContact OE1-N 3.42Å; E168-S420 WeakPolarHBondContact OE2-CB 3.43Å; E168-S420 PolarHBondContact OE2-N 2.87Å; E168-S420 PolarHBondContact OE2-OG 3.47Å; S420-R422 PolarHBondContact O-N 3.25Å
421	K	92.4	Very high	85.1	Confident	152 Å²	152	79.6 Å²	79.6	66%	0.661	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-62.9	124.6	165.3	-176	178.1	178.7	-177.2	0	110.3	F423	K421-F423 HydrophobicContact CB-CE2 4.28Å; K421-F423 HydrophobicContact CD-CE1 4.48Å; K421-F423 HydrophobicContact CD-CE2 4.18Å; K421-F423 HydrophobicContact CD-CZ 3.88Å; K421-F423 HydrophobicContact CG-CE2 4.03Å; K421-F423 HydrophobicContact CG-CZ 4.24Å; K421-F423 WeakPolarHBondContact O-CD2 3.28Å; K421-F423 WeakPolarHBondContact O-CE2 3.48Å
422	R	93.9	Very high	87.4	Confident	115 Å²	115	77.9 Å²	77.9	43%	0.434	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-89.8	147.7	171.8	-64.6	-176	-175.5	-91.2	1.8	111.8	F181 T184 F185 S420	F181-R422 VanDerWaalsContact CE2-NH1 3.3Å; T184-R422 CarbonylContact O-C 3.59Å; T184-R422 WeakPolarHBondContact O-CA 3.47Å; T184-R422 PolarHBondContact OG1-NH1 2.79Å; T184-R422 VanDerWaalsContact OG1-NH1 3.14Å; F185-R422 HydrophobicContact CE1-CG 4.31Å; S420-R422 PolarHBondContact O-N 3.25Å
423	F	94.3	Very high	89.4	Confident	77 Å²	77	76.2 Å²	76.2	34%	0.338	39%	0.389	S	S	.	.			trans	-123.2	170.3	178.5	-63.5	-99.9	0	0	0	109.5	T184 R186 K421 S425	T184-F423 WeakPolarHBondContact CA-O 3.1Å; T184-F423 WeakPolarHBondContact CB-O 3.11Å; T184-F423 PolarHBondContact O-N 2.98Å; R186-F423 HydrophobicContact CB-CD2 4.45Å; R186-F423 HydrophobicContact CB-CE2 4.14Å; R186-F423 HydrophobicContact CG-CD1 4.25Å; R186-F423 HydrophobicContact CG-CD2 3.61Å; R186-F423 HydrophobicContact CG-CE1 4.26Å; R186-F423 HydrophobicContact CG-CE2 3.63Å; R186-F423 HydrophobicContact CG-CG 3.93Å; R186-F423 HydrophobicContact CG-CZ 3.96Å; K421-F423 HydrophobicContact CB-CE2 4.28Å; K421-F423 HydrophobicContact CD-CE1 4.48Å; K421-F423 HydrophobicContact CD-CE2 4.18Å; K421-F423 HydrophobicContact CD-CZ 3.88Å; K421-F423 HydrophobicContact CG-CE2 4.03Å; K421-F423 HydrophobicContact CG-CZ 4.24Å; K421-F423 WeakPolarHBondContact O-CD2 3.28Å; K421-F423 WeakPolarHBondContact O-CE2 3.48Å; F423-S425 PolarHBondContact O-N 3.49Å
424	T	94.5	Very high	91.2	Very high	123 Å²	123	77.4 Å²	77.4	76%	0.755	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-62.6	133.7	171.5	49.3	0	0	0	0	110.5	R186	R186-T424 PolarHBondContact NH2-O 3.34Å
425	S	93.5	Very high	92.1	Very high	37 Å²	37	76.8 Å²	76.8	26%	0.259	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-65.3	161.3	177.3	52.2	0	0	0	0	112.8	S183 F423	S183-S425 VanDerWaalsContact OG-CA 3.3Å; S183-S425 WeakPolarHBondContact OG-CA 3.37Å; S183-S425 VanDerWaalsContact OG-CB 3.23Å; S183-S425 WeakPolarHBondContact OG-CB 3.31Å; F423-S425 PolarHBondContact O-N 3.49Å
426	R	94	Very high	92.1	Very high	55 Å²	55	80.5 Å²	80.5	21%	0.208	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-66.7	128.2	176.6	-171.3	-179.8	-63.9	-85.7	-13.2	110.3	S183 Q193 E198 S428 F429 A430	S183-R426 PolarHBondContact OG-N 2.98Å; Q193-R426 PolarHBondContact O-NH2 2.91Å; E198-R426 VanDerWaalsContact CD-NH2 3.26Å; E198-R426 IonicContact OE1-CZ 2.71Å; E198-R426 IonicContact OE1-NE 3.8Å; E198-R426 IonicContact OE1-NH2 2.65Å; E198-R426 PolarHBondContact OE1-NH2 3.44Å; E198-R426 IonicContact OE2-CZ 2.75Å; E198-R426 IonicContact OE2-NE 2.76Å; E198-R426 PolarHBondContact OE2-NE 2.91Å; E198-R426 IonicContact OE2-NH2 3.22Å; E198-R426 PolarHBondContact OE2-NH2 2.86Å; E198-R426 VanDerWaalsContact OE2-NH2 3.14Å; R426-S428 WeakPolarHBondContact CD-OG 3.33Å; R426-S428 VanDerWaalsContact CG-OG 3.29Å; R426-S428 WeakPolarHBondContact CG-OG 3.47Å; R426-S428 PolarHBondContact O-N 3.15Å; R426-S428 VanDerWaalsContact O-N 3.16Å; R426-F429 HydrophobicContact CB-CD2 3.98Å; R426-F429 PolarHBondContact O-N 3.03Å; R426-A430 PolarHBondContact O-N 3.21Å
427	P	93.3	Very high	92.1	Very high	89 Å²	89	77.8 Å²	77.8	58%	0.578	40%	0.396	S	S	*	.	H	α-helix	trans	-61	-24.3	-178.9	-27.6	35.8	0	0	0	115.5	K431	P427-K431 WeakPolarHBondContact O-CB 3.48Å; P427-K431 WeakPolarHBondContact O-CD 3.41Å; P427-K431 WeakPolarHBondContact O-CG 3.34Å; P427-K431 PolarHBondContact O-N 3.49Å; P427-K431 VanDerWaalsContact O-N 3.12Å
428	S	93.8	Very high	92	Very high	39 Å²	39	81.7 Å²	81.7	27%	0.273	42%	0.415	S	S	.	.	H	α-helix	trans	-70.2	-47.4	176.8	52.6	0	0	0	0	111.9	E195 R426 K431 R432	E195-S428 WeakPolarHBondContact OE2-CB 3.46Å; E195-S428 PolarHBondContact OE2-OG 3.28Å; R426-S428 WeakPolarHBondContact CD-OG 3.33Å; R426-S428 VanDerWaalsContact CG-OG 3.29Å; R426-S428 WeakPolarHBondContact CG-OG 3.47Å; R426-S428 PolarHBondContact O-N 3.15Å; R426-S428 VanDerWaalsContact O-N 3.16Å; S428-K431 PolarHBondContact O-N 3.45Å; S428-R432 WeakPolarHBondContact O-CB 3.35Å; S428-R432 PolarHBondContact O-N 3.37Å
429	F	94	Very high	92.1	Very high	3 Å²	3	82.6 Å²	82.6	1%	0.013	42%	0.423	C	S	.	.	H	α-helix	trans	-62.2	-44.6	174.3	-65.3	-37.5	0	0	0	112.2	P179 V180 E195 E198 L199 R426 K431 R432 E433	P179-F429 HydrophobicContact CB-CB 4.26Å; P179-F429 HydrophobicContact CB-CD1 3.58Å; P179-F429 HydrophobicContact CB-CD2 3.75Å; P179-F429 HydrophobicContact CB-CE1 3.67Å; P179-F429 HydrophobicContact CB-CE2 3.83Å; P179-F429 HydrophobicContact CB-CG 3.63Å; P179-F429 HydrophobicContact CB-CZ 3.79Å; P179-F429 VanDerWaalsContact O-CD2 3.29Å; P179-F429 WeakPolarHBondContact O-CD2 3.36Å; V180-F429 HydrophobicContact CG2-CB 3.61Å; E195-F429 HydrophobicContact CB-CZ 4.45Å; E195-F429 HydrophobicContact CG-CD1 4.14Å; E195-F429 HydrophobicContact CG-CE1 3.29Å; E195-F429 HydrophobicContact CG-CE2 4.25Å; E195-F429 HydrophobicContact CG-CZ 3.37Å; E198-F429 HydrophobicContact CB-CE2 3.75Å; E198-F429 HydrophobicContact CB-CZ 4Å; E198-F429 VanDerWaalsContact OE2-CE2 3.23Å; E198-F429 WeakPolarHBondContact OE2-CE2 3.33Å; L199-F429 HydrophobicContact CD1-CE1 4.37Å; L199-F429 HydrophobicContact CD2-CE1 3.78Å; L199-F429 HydrophobicContact CD2-CZ 3.97Å; L199-F429 HydrophobicContact CG-CE1 3.95Å; L199-F429 HydrophobicContact CG-CZ 3.9Å; R426-F429 HydrophobicContact CB-CD2 3.98Å; R426-F429 PolarHBondContact O-N 3.03Å; F429-K431 VanDerWaalsContact C-N 3.26Å; F429-K431 PolarHBondContact O-N 3.36Å; F429-R432 PolarHBondContact O-N 2.88Å; F429-E433 WeakPolarHBondContact O-CB 3.41Å; F429-E433 PolarHBondContact O-N 2.93Å
430	A	91.1	Very high	91.9	Very high	32 Å²	32	81.9 Å²	81.9	26%	0.264	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-35.1	178.1	0	0	0	0	0	112.4	R426 V434	R426-A430 PolarHBondContact O-N 3.21Å; A430-V434 VanDerWaalsContact O-CG2 3.3Å; A430-V434 WeakPolarHBondContact O-CG2 3.46Å; A430-V434 PolarHBondContact O-N 3.17Å
431	K	91.9	Very high	91.8	Very high	147 Å²	147	89 Å²	89	64%	0.639	44%	0.444	S	S	*	.	H	α-helix	trans	-69.5	-40.5	171.8	-75	171.2	-177.4	-178.7	0	112.3	P427 S428 F429 V434 I435	P427-K431 WeakPolarHBondContact O-CB 3.48Å; P427-K431 WeakPolarHBondContact O-CD 3.41Å; P427-K431 WeakPolarHBondContact O-CG 3.34Å; P427-K431 PolarHBondContact O-N 3.49Å; P427-K431 VanDerWaalsContact O-N 3.12Å; S428-K431 PolarHBondContact O-N 3.45Å; F429-K431 VanDerWaalsContact C-N 3.26Å; F429-K431 PolarHBondContact O-N 3.36Å; K431-V434 PolarHBondContact O-N 3.31Å; K431-I435 WeakPolarHBondContact O-CD1 3.35Å; K431-I435 VanDerWaalsContact O-CG1 3.28Å; K431-I435 WeakPolarHBondContact O-CG1 3.34Å; K431-I435 PolarHBondContact O-N 3.48Å; K431-I435 VanDerWaalsContact O-N 3.17Å
432	R	90.9	Very high	91.9	Very high	101 Å²	101	90.3 Å²	90.3	38%	0.381	45%	0.445	S	S	.	.	H	α-helix	trans	-64.2	-48.2	179.9	-171.7	177.1	-66.2	133	7.2	111.2	E195 S428 F429 V434 I435 E436	E195-R432 IonicContact OE1-CZ 2.86Å; E195-R432 VanDerWaalsContact OE1-CZ 3.22Å; E195-R432 IonicContact OE1-NH1 3.49Å; E195-R432 PolarHBondContact OE1-NH1 3.05Å; E195-R432 IonicContact OE1-NH2 3.93Å; E195-R432 PolarHBondContact OE1-NH2 3.45Å; S428-R432 WeakPolarHBondContact O-CB 3.35Å; S428-R432 PolarHBondContact O-N 3.37Å; F429-R432 PolarHBondContact O-N 2.88Å; R432-V434 VanDerWaalsContact C-N 3.34Å; R432-V434 PolarHBondContact O-N 3.12Å; R432-I435 WeakPolarHBondContact O-CA 3.48Å; R432-I435 WeakPolarHBondContact O-CB 3.44Å; R432-I435 PolarHBondContact O-N 2.75Å; R432-E436 VanDerWaalsContact CG-OE1 3.27Å; R432-E436 WeakPolarHBondContact CG-OE1 3.28Å; R432-E436 WeakPolarHBondContact O-CG 3.46Å; R432-E436 PolarHBondContact O-N 3.3Å
433	E	88.8	Confident	91.8	Very high	65 Å²	65	89.9 Å²	89.9	30%	0.304	45%	0.448	S	S	.	.	H	α-helix	trans	-55.2	-45.9	175.8	-168.2	173.1	-111.4	0	0	111.5	T178 V180 F429 I435 E436 D437	T178-E433 PolarHBondContact OG1-OE1 2.94Å; T178-E433 VanDerWaalsContact OG1-OE1 3.06Å; V180-E433 HydrophobicContact CG2-CB 4.11Å; V180-E433 HydrophobicContact CG2-CG 4.5Å; V180-E433 WeakPolarHBondContact CG2-OE2 3.47Å; F429-E433 WeakPolarHBondContact O-CB 3.41Å; F429-E433 PolarHBondContact O-N 2.93Å; E433-I435 VanDerWaalsContact C-N 3.28Å; E433-I435 PolarHBondContact O-N 2.76Å; E433-E436 PolarHBondContact O-N 3.25Å; E433-D437 WeakPolarHBondContact O-CB 3.48Å; E433-D437 PolarHBondContact O-N 3.16Å
434	V	90.2	Very high	91.7	Very high	70 Å²	70	93.9 Å²	93.9	42%	0.424	46%	0.46	S	S	.	.	H	α-helix	trans	-65.9	-25.7	176.2	170.8	0	0	0	0	113.6	A430 K431 R432 K438	A430-V434 VanDerWaalsContact O-CG2 3.3Å; A430-V434 WeakPolarHBondContact O-CG2 3.46Å; A430-V434 PolarHBondContact O-N 3.17Å; K431-V434 PolarHBondContact O-N 3.31Å; R432-V434 VanDerWaalsContact C-N 3.34Å; R432-V434 PolarHBondContact O-N 3.12Å; V434-K438 HydrophobicContact CG1-CD 4.43Å; V434-K438 WeakPolarHBondContact O-CD 3.45Å; V434-K438 WeakPolarHBondContact O-CG 3.41Å; V434-K438 PolarHBondContact O-N 3.3Å
435	I	90.3	Very high	91.7	Very high	106 Å²	106	92.5 Å²	92.5	54%	0.544	45%	0.448	S	S	.	.	H	α-helix	trans	-80.5	-41.5	175.3	-68.2	164.3	0	0	0	110.3	K431 R432 E433 K438 S439	K431-I435 WeakPolarHBondContact O-CD1 3.35Å; K431-I435 VanDerWaalsContact O-CG1 3.28Å; K431-I435 WeakPolarHBondContact O-CG1 3.34Å; K431-I435 PolarHBondContact O-N 3.48Å; K431-I435 VanDerWaalsContact O-N 3.17Å; R432-I435 WeakPolarHBondContact O-CA 3.48Å; R432-I435 WeakPolarHBondContact O-CB 3.44Å; R432-I435 PolarHBondContact O-N 2.75Å; E433-I435 VanDerWaalsContact C-N 3.28Å; E433-I435 PolarHBondContact O-N 2.76Å; I435-K438 PolarHBondContact O-N 3.36Å; I435-S439 WeakPolarHBondContact O-CB 3.3Å; I435-S439 PolarHBondContact O-N 3.17Å; I435-S439 PolarHBondContact O-OG 2.76Å
436	E	88.5	Confident	91.6	Very high	110 Å²	110	95.4 Å²	95.4	51%	0.514	46%	0.46	S	S	.	.	H	α-helix	trans	-61.5	-51.6	175.2	-71.7	169.3	-175.3	0	0	110.1	R432 E433 K438 S439 D440	R432-E436 VanDerWaalsContact CG-OE1 3.27Å; R432-E436 WeakPolarHBondContact CG-OE1 3.28Å; R432-E436 WeakPolarHBondContact O-CG 3.46Å; R432-E436 PolarHBondContact O-N 3.3Å; E433-E436 PolarHBondContact O-N 3.25Å; E436-K438 VanDerWaalsContact C-N 3.29Å; E436-K438 PolarHBondContact O-N 3.28Å; E436-S439 CarbonylContact O-C 3.58Å; E436-S439 WeakPolarHBondContact O-CA 3.21Å; E436-S439 WeakPolarHBondContact O-CB 3.33Å; E436-S439 PolarHBondContact O-N 3.33Å; E436-D440 PolarHBondContact O-N 3.31Å
437	D	88.4	Confident	91.6	Very high	106 Å²	106	97.7 Å²	97.7	57%	0.567	47%	0.473	S	S	*	.	H	α-helix	trans	-54.2	-40.4	175.6	-88.2	-13.3	0	0	0	113.6	E433 S439 K441	E433-D437 WeakPolarHBondContact O-CB 3.48Å; E433-D437 PolarHBondContact O-N 3.16Å; D437-S439 VanDerWaalsContact C-N 3.33Å; D437-K441 VanDerWaalsContact O-CB 3.22Å; D437-K441 WeakPolarHBondContact O-CB 3.14Å; D437-K441 PolarHBondContact O-N 3.15Å
438	K	91.7	Very high	91.6	Very high	142 Å²	142	96.7 Å²	96.7	62%	0.617	47%	0.468	S	S	*	.	H	α-helix	trans	-68.8	-34.2	176.2	-77.5	172.7	-175.1	174.9	0	112	V434 I435 E436 R442	V434-K438 HydrophobicContact CG1-CD 4.43Å; V434-K438 WeakPolarHBondContact O-CD 3.45Å; V434-K438 WeakPolarHBondContact O-CG 3.41Å; V434-K438 PolarHBondContact O-N 3.3Å; I435-K438 PolarHBondContact O-N 3.36Å; E436-K438 VanDerWaalsContact C-N 3.29Å; E436-K438 PolarHBondContact O-N 3.28Å; K438-R442 WeakPolarHBondContact O-CB 3.26Å; K438-R442 PolarHBondContact O-N 3.3Å; K438-R442 VanDerWaalsContact O-N 3.07Å
439	S	91.5	Very high	91.5	Very high	66 Å²	66	101 Å²	101	46%	0.462	48%	0.482	S	S	.	.	H	α-helix	trans	-72.3	-49.6	178.6	-55.8	0	0	0	0	110.1	I435 E436 D437 K441 R442 E443	I435-S439 WeakPolarHBondContact O-CB 3.3Å; I435-S439 PolarHBondContact O-N 3.17Å; I435-S439 PolarHBondContact O-OG 2.76Å; E436-S439 CarbonylContact O-C 3.58Å; E436-S439 WeakPolarHBondContact O-CA 3.21Å; E436-S439 WeakPolarHBondContact O-CB 3.33Å; E436-S439 PolarHBondContact O-N 3.33Å; D437-S439 VanDerWaalsContact C-N 3.33Å; S439-K441 VanDerWaalsContact C-N 3.33Å; S439-K441 PolarHBondContact O-N 2.97Å; S439-R442 CarbonylContact O-C 3.59Å; S439-R442 WeakPolarHBondContact O-CA 3.27Å; S439-R442 WeakPolarHBondContact O-CB 3.46Å; S439-R442 PolarHBondContact O-N 3.22Å; S439-E443 PolarHBondContact O-N 3.11Å
440	D	90.4	Very high	91.5	Very high	70 Å²	70	105.3 Å²	105.3	37%	0.374	50%	0.502	S	S	.	.	H	α-helix	trans	-52.3	-47.5	171.3	-102.3	48.7	0	0	0	112	E436 R442 E443 R444	E436-D440 PolarHBondContact O-N 3.31Å; D440-R442 VanDerWaalsContact C-N 3.33Å; D440-R442 PolarHBondContact O-N 3.3Å; D440-E443 PolarHBondContact O-N 2.84Å; D440-R444 WeakPolarHBondContact O-CB 3.26Å; D440-R444 VanDerWaalsContact O-CG 3.31Å; D440-R444 WeakPolarHBondContact O-CG 3.43Å; D440-R444 PolarHBondContact O-N 3.13Å; D440-R444 IonicContact OD2-CZ 3.21Å; D440-R444 IonicContact OD2-NE 3.41Å; D440-R444 IonicContact OD2-NH2 3.62Å; D440-R444 PolarHBondContact OD2-NH2 3.12Å
441	K	91.3	Very high	91.4	Very high	163 Å²	163	108.1 Å²	108.1	71%	0.709	51%	0.51	S	S	*	.	H	α-helix	trans	-64.5	-37.2	178.2	-174.5	173.9	-177.6	175	0	112.2	D437 S439 L445	D437-K441 VanDerWaalsContact O-CB 3.22Å; D437-K441 WeakPolarHBondContact O-CB 3.14Å; D437-K441 PolarHBondContact O-N 3.15Å; S439-K441 VanDerWaalsContact C-N 3.33Å; S439-K441 PolarHBondContact O-N 2.97Å; K441-L445 WeakPolarHBondContact O-CB 3.35Å; K441-L445 PolarHBondContact O-N 3.45Å; K441-L445 VanDerWaalsContact O-N 3.13Å
442	R	93.1	Very high	91.4	Very high	181 Å²	181	105.5 Å²	105.5	68%	0.683	51%	0.506	S	S	*	.	H	α-helix	trans	-67.6	-41.8	174.5	-178.6	-179.1	177.6	-176.9	-0.9	111	K438 S439 D440 L445 L446	K438-R442 WeakPolarHBondContact O-CB 3.26Å; K438-R442 PolarHBondContact O-N 3.3Å; K438-R442 VanDerWaalsContact O-N 3.07Å; S439-R442 CarbonylContact O-C 3.59Å; S439-R442 WeakPolarHBondContact O-CA 3.27Å; S439-R442 WeakPolarHBondContact O-CB 3.46Å; S439-R442 PolarHBondContact O-N 3.22Å; D440-R442 VanDerWaalsContact C-N 3.33Å; D440-R442 PolarHBondContact O-N 3.3Å; R442-L445 PolarHBondContact O-N 3.48Å; R442-L446 HydrophobicContact CG-CD1 4.26Å; R442-L446 WeakPolarHBondContact O-CG 3.22Å; R442-L446 PolarHBondContact O-N 3.33Å
443	E	92	Very high	91.5	Very high	106 Å²	106	107.9 Å²	107.9	50%	0.495	52%	0.515	S	S	.	.	H	α-helix	trans	-65.7	-48.6	178.4	-163.3	-172.5	153.2	0	0	111.5	S439 D440 L445 L446 Q447	S439-E443 PolarHBondContact O-N 3.11Å; D440-E443 PolarHBondContact O-N 2.84Å; E443-L445 PolarHBondContact O-N 2.9Å; E443-L446 CarbonylContact O-C 3.59Å; E443-L446 WeakPolarHBondContact O-CA 3.29Å; E443-L446 WeakPolarHBondContact O-CB 3.43Å; E443-L446 PolarHBondContact O-N 2.71Å; E443-Q447 HydrophobicContact CG-CG 4.43Å; E443-Q447 WeakPolarHBondContact O-CG 3.35Å; E443-Q447 PolarHBondContact O-N 2.65Å; E443-Q447 PolarHBondContact OE1-NE2 3.37Å
444	R	92.8	Very high	91.5	Very high	160 Å²	160	109.4 Å²	109.4	60%	0.604	52%	0.521	S	S	*	.	H	α-helix	trans	-58	-36.6	175.3	-68	176.7	-156.8	-177.4	11.8	112.2	D440 S448	D440-R444 WeakPolarHBondContact O-CB 3.26Å; D440-R444 VanDerWaalsContact O-CG 3.31Å; D440-R444 WeakPolarHBondContact O-CG 3.43Å; D440-R444 PolarHBondContact O-N 3.13Å; D440-R444 IonicContact OD2-CZ 3.21Å; D440-R444 IonicContact OD2-NE 3.41Å; D440-R444 IonicContact OD2-NH2 3.62Å; D440-R444 PolarHBondContact OD2-NH2 3.12Å; R444-S448 WeakPolarHBondContact O-CB 3.4Å; R444-S448 PolarHBondContact O-N 3.01Å
445	L	93.4	Very high	91.5	Very high	95 Å²	95	109.2 Å²	109.2	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-67.6	-37.8	173.8	-179	63.3	0	0	0	112.4	K441 R442 E443 K449	K441-L445 WeakPolarHBondContact O-CB 3.35Å; K441-L445 PolarHBondContact O-N 3.45Å; K441-L445 VanDerWaalsContact O-N 3.13Å; R442-L445 PolarHBondContact O-N 3.48Å; E443-L445 PolarHBondContact O-N 2.9Å; L445-K449 WeakPolarHBondContact O-CB 3.37Å; L445-K449 VanDerWaalsContact O-CG 3.3Å; L445-K449 WeakPolarHBondContact O-CG 3.49Å; L445-K449 PolarHBondContact O-N 3.21Å
446	L	93.3	Very high	91.5	Very high	97 Å²	97	109.9 Å²	109.9	51%	0.508	52%	0.517	S	S	.	.	H	α-helix	trans	-68	-47.7	175.2	-72.2	168.2	0	0	0	111.2	R442 E443 S448 K449 E450	R442-L446 HydrophobicContact CG-CD1 4.26Å; R442-L446 WeakPolarHBondContact O-CG 3.22Å; R442-L446 PolarHBondContact O-N 3.33Å; E443-L446 CarbonylContact O-C 3.59Å; E443-L446 WeakPolarHBondContact O-CA 3.29Å; E443-L446 WeakPolarHBondContact O-CB 3.43Å; E443-L446 PolarHBondContact O-N 2.71Å; L446-S448 VanDerWaalsContact C-N 3.33Å; L446-S448 PolarHBondContact O-N 3.03Å; L446-K449 PolarHBondContact O-N 3.41Å; L446-E450 WeakPolarHBondContact O-CB 3.27Å; L446-E450 PolarHBondContact O-N 2.87Å
447	Q	92.7	Very high	91.4	Very high	103 Å²	103	109.4 Å²	109.4	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-57.7	-44.1	174.7	-67.2	176.8	9.1	0	0	111.3	E443 E450 Q451	E443-Q447 HydrophobicContact CG-CG 4.43Å; E443-Q447 WeakPolarHBondContact O-CG 3.35Å; E443-Q447 PolarHBondContact O-N 2.65Å; E443-Q447 PolarHBondContact OE1-NE2 3.37Å; Q447-E450 PolarHBondContact O-N 2.97Å; Q447-Q451 WeakPolarHBondContact O-CB 3.31Å; Q447-Q451 PolarHBondContact O-N 2.83Å
448	S	92.7	Very high	91.3	Very high	68 Å²	68	111.6 Å²	111.6	48%	0.476	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-43.5	175.5	174.1	0	0	0	0	112.7	R444 L446 Q451 T452	R444-S448 WeakPolarHBondContact O-CB 3.4Å; R444-S448 PolarHBondContact O-N 3.01Å; L446-S448 VanDerWaalsContact C-N 3.33Å; L446-S448 PolarHBondContact O-N 3.03Å; S448-Q451 PolarHBondContact O-N 2.96Å; S448-T452 PolarHBondContact O-N 2.9Å; S448-T452 PolarHBondContact O-OG1 2.76Å
449	K	93.6	Very high	90.9	Very high	131 Å²	131	111 Å²	111	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-65	-40	174.8	-77.2	179.3	175.9	-169.8	0	112.3	L445 L446 T452 R453	L445-K449 WeakPolarHBondContact O-CB 3.37Å; L445-K449 VanDerWaalsContact O-CG 3.3Å; L445-K449 WeakPolarHBondContact O-CG 3.49Å; L445-K449 PolarHBondContact O-N 3.21Å; L446-K449 PolarHBondContact O-N 3.41Å; K449-T452 PolarHBondContact O-N 3.28Å; K449-R453 WeakPolarHBondContact O-CB 3.47Å; K449-R453 PolarHBondContact O-N 3.03Å
450	E	92.1	Very high	90.4	Very high	92 Å²	92	111.8 Å²	111.8	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-67.8	-39.7	177.2	-164	-168.3	148.7	0	0	111.5	L446 Q447 R453 K454	L446-E450 WeakPolarHBondContact O-CB 3.27Å; L446-E450 PolarHBondContact O-N 2.87Å; Q447-E450 PolarHBondContact O-N 2.97Å; E450-R453 WeakPolarHBondContact O-CB 3.47Å; E450-R453 PolarHBondContact O-N 3.3Å; E450-K454 WeakPolarHBondContact O-CG 3.47Å; E450-K454 PolarHBondContact O-N 3.18Å; E450-K454 WeakPolarHBondContact OE1-CE 3.41Å; E450-K454 IonicContact OE1-NZ 2.72Å; E450-K454 PolarHBondContact OE1-NZ 2.86Å
451	Q	90.9	Very high	89.8	Confident	92 Å²	92	113.1 Å²	113.1	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-61.7	-49.2	173.8	-175.3	56.5	38.6	0	0	110.9	Q447 S448 R453 K454 D455	Q447-Q451 WeakPolarHBondContact O-CB 3.31Å; Q447-Q451 PolarHBondContact O-N 2.83Å; S448-Q451 PolarHBondContact O-N 2.96Å; Q451-R453 PolarHBondContact O-N 2.98Å; Q451-K454 WeakPolarHBondContact O-CB 3.37Å; Q451-K454 PolarHBondContact O-N 3.27Å; Q451-D455 PolarHBondContact NE2-OD1 3.06Å; Q451-D455 PolarHBondContact NE2-OD2 3.07Å; Q451-D455 PolarHBondContact O-N 2.89Å
452	T	91.4	Very high	89	Confident	92 Å²	92	112.3 Å²	112.3	56%	0.564	51%	0.514	S	S	*	.	H	α-helix	trans	-55.4	-40.4	174	-51.1	0	0	0	0	111.5	S448 K449 D455 F456	S448-T452 PolarHBondContact O-N 2.9Å; S448-T452 PolarHBondContact O-OG1 2.76Å; K449-T452 PolarHBondContact O-N 3.28Å; T452-D455 PolarHBondContact O-N 2.9Å; T452-F456 WeakPolarHBondContact O-CB 3.49Å; T452-F456 PolarHBondContact O-N 3.13Å
453	R	91.6	Very high	87.6	Confident	150 Å²	150	107.8 Å²	107.8	57%	0.566	51%	0.506	S	S	*	.	H	α-helix	trans	-65.5	-43.4	175.5	-164.7	-176.6	82.2	116.2	-0.2	112.2	K449 E450 Q451 D455 F456 F457	K449-R453 WeakPolarHBondContact O-CB 3.47Å; K449-R453 PolarHBondContact O-N 3.03Å; E450-R453 WeakPolarHBondContact O-CB 3.47Å; E450-R453 PolarHBondContact O-N 3.3Å; Q451-R453 PolarHBondContact O-N 2.98Å; R453-D455 VanDerWaalsContact C-N 3.33Å; R453-F456 PolarHBondContact O-N 3.36Å; R453-F457 HydrophobicContact CG-CD2 4Å; R453-F457 HydrophobicContact CG-CE2 3.83Å; R453-F457 VanDerWaalsContact O-CD2 3.26Å; R453-F457 WeakPolarHBondContact O-CD2 3.49Å; R453-F457 PolarHBondContact O-N 2.84Å; R453-F457 VanDerWaalsContact O-N 3.1Å
454	K	90.5	Very high	86	Confident	97 Å²	97	108.1 Å²	108.1	42%	0.422	51%	0.512	S	S	.	.	H	α-helix	trans	-63.2	-40.1	177.1	-75.4	170.3	-177.9	164.4	0	111.6	E450 Q451 R458	E450-K454 WeakPolarHBondContact O-CG 3.47Å; E450-K454 PolarHBondContact O-N 3.18Å; E450-K454 WeakPolarHBondContact OE1-CE 3.41Å; E450-K454 IonicContact OE1-NZ 2.72Å; E450-K454 PolarHBondContact OE1-NZ 2.86Å; Q451-K454 WeakPolarHBondContact O-CB 3.37Å; Q451-K454 PolarHBondContact O-N 3.27Å; K454-R458 WeakPolarHBondContact O-CB 3.3Å; K454-R458 PolarHBondContact O-N 3.34Å
455	D	90.4	Very high	84.3	Confident	67 Å²	67	107.2 Å²	107.2	36%	0.358	52%	0.519	S	S	.	.	H	α-helix	trans	-70.4	-40.6	179.5	-65.4	-32	0	0	0	111.4	Q451 T452 R453 F457 R458 E459	Q451-D455 PolarHBondContact NE2-OD1 3.06Å; Q451-D455 PolarHBondContact NE2-OD2 3.07Å; Q451-D455 PolarHBondContact O-N 2.89Å; T452-D455 PolarHBondContact O-N 2.9Å; R453-D455 VanDerWaalsContact C-N 3.33Å; D455-F457 PolarHBondContact O-N 3.28Å; D455-R458 WeakPolarHBondContact O-CB 3.34Å; D455-R458 PolarHBondContact O-N 3.46Å; D455-R458 IonicContact OD1-NE 2.64Å; D455-E459 WeakPolarHBondContact O-CB 3.41Å; D455-E459 PolarHBondContact O-N 3.04Å
456	F	89.9	Confident	82.2	Confident	119 Å²	119	106.9 Å²	106.9	52%	0.522	52%	0.524	S	S	.	.	H	α-helix	trans	-57.6	-48.2	171.4	179.9	-96.6	0	0	0	112.9	T452 R453 R458 E459 M460	T452-F456 WeakPolarHBondContact O-CB 3.49Å; T452-F456 PolarHBondContact O-N 3.13Å; R453-F456 PolarHBondContact O-N 3.36Å; F456-R458 VanDerWaalsContact C-N 3.32Å; F456-R458 PolarHBondContact O-N 3.42Å; F456-E459 PolarHBondContact O-N 3.24Å; F456-M460 HydrophobicContact CD1-SD 4.35Å; F456-M460 HydrophobicContact CE1-CG 4.18Å; F456-M460 HydrophobicContact CE1-SD 3.54Å; F456-M460 VanDerWaalsContact CE1-SD 3.54Å; F456-M460 HydrophobicContact CZ-CG 4.27Å; F456-M460 HydrophobicContact CZ-SD 3.79Å; F456-M460 PolarHBondContact O-N 2.82Å
457	F	86.5	Confident	80.1	Confident	101 Å²	101	110.2 Å²	110.2	44%	0.443	54%	0.537	S	S	.	.	H	α-helix	trans	-66.3	-33.3	176	-81.6	-68.4	0	0	0	112.9	R453 D455 E459 N461	R453-F457 HydrophobicContact CG-CD2 4Å; R453-F457 HydrophobicContact CG-CE2 3.83Å; R453-F457 VanDerWaalsContact O-CD2 3.26Å; R453-F457 WeakPolarHBondContact O-CD2 3.49Å; R453-F457 PolarHBondContact O-N 2.84Å; R453-F457 VanDerWaalsContact O-N 3.1Å; D455-F457 PolarHBondContact O-N 3.28Å; F457-E459 VanDerWaalsContact C-N 3.31Å; F457-N461 WeakPolarHBondContact O-CB 3.21Å; F457-N461 PolarHBondContact O-N 2.92Å
458	R	86.4	Confident	77.9	Confident	152 Å²	152	112.4 Å²	112.4	57%	0.574	55%	0.552	S	S	*	*	H	α-helix	trans	-66	-35.3	174.2	-170.3	-169.3	-59.8	-87.5	2.2	111.5	K454 D455 F456 K462	K454-R458 WeakPolarHBondContact O-CB 3.3Å; K454-R458 PolarHBondContact O-N 3.34Å; D455-R458 WeakPolarHBondContact O-CB 3.34Å; D455-R458 PolarHBondContact O-N 3.46Å; D455-R458 IonicContact OD1-NE 2.64Å; F456-R458 VanDerWaalsContact C-N 3.32Å; F456-R458 PolarHBondContact O-N 3.42Å; R458-K462 WeakPolarHBondContact O-CG 3.46Å; R458-K462 PolarHBondContact O-N 2.82Å
459	E	83	Confident	75.6	Confident	130 Å²	130	116.1 Å²	116.1	61%	0.607	57%	0.566	S	S	*	*	H	α-helix	trans	-70.5	-47	176.5	-167.9	162.7	-152.2	0	0	111.6	D455 F456 F457 N461 K462 T463	D455-E459 WeakPolarHBondContact O-CB 3.41Å; D455-E459 PolarHBondContact O-N 3.04Å; F456-E459 PolarHBondContact O-N 3.24Å; F457-E459 VanDerWaalsContact C-N 3.31Å; E459-N461 VanDerWaalsContact C-N 3.29Å; E459-N461 PolarHBondContact O-N 3.21Å; E459-K462 WeakPolarHBondContact O-CB 3.44Å; E459-K462 PolarHBondContact O-N 2.97Å; E459-T463 PolarHBondContact O-N 3Å; E459-T463 VanDerWaalsContact O-N 3.11Å
460	M	80.8	Confident	73.5	Confident	81 Å²	81	115.1 Å²	115.1	40%	0.399	58%	0.575	S	S	.	*	H	α-helix	trans	-58.6	-37.2	173.1	-69.9	-163.1	74.8	0	0	113.4	F456 K462 T463 N464	F456-M460 HydrophobicContact CD1-SD 4.35Å; F456-M460 HydrophobicContact CE1-CG 4.18Å; F456-M460 HydrophobicContact CE1-SD 3.54Å; F456-M460 VanDerWaalsContact CE1-SD 3.54Å; F456-M460 HydrophobicContact CZ-CG 4.27Å; F456-M460 HydrophobicContact CZ-SD 3.79Å; F456-M460 PolarHBondContact O-N 2.82Å; M460-K462 VanDerWaalsContact C-N 3.26Å; M460-K462 PolarHBondContact O-N 2.98Å; M460-T463 WeakPolarHBondContact CA-OG1 3.43Å; M460-T463 PolarHBondContact O-N 3.24Å; M460-T463 PolarHBondContact O-OG1 2.79Å; M460-N464 PolarHBondContact O-N 2.94Å; M460-N464 VanDerWaalsContact O-N 3.07Å
461	N	77.7	Confident	71.2	Confident	99 Å²	99	119.9 Å²	119.9	53%	0.529	60%	0.597	S	S	.	*	H	α-helix	trans	-73.1	-16.7	176.4	-74.5	-11.5	0	0	0	113.5	F457 E459 N465	F457-N461 WeakPolarHBondContact O-CB 3.21Å; F457-N461 PolarHBondContact O-N 2.92Å; E459-N461 VanDerWaalsContact C-N 3.29Å; E459-N461 PolarHBondContact O-N 3.21Å; N461-N465 PolarHBondContact O-ND2 3.49Å
462	K	75	Confident	69.2	Low	145 Å²	145	121.2 Å²	121.2	63%	0.63	62%	0.616	S	S	*	*	H	α-helix	trans	-79	-46	168.5	-72.9	173.8	178.8	-177.3	0	110.7	R458 E459 M460 N464 N465 S466	R458-K462 WeakPolarHBondContact O-CG 3.46Å; R458-K462 PolarHBondContact O-N 2.82Å; E459-K462 WeakPolarHBondContact O-CB 3.44Å; E459-K462 PolarHBondContact O-N 2.97Å; M460-K462 VanDerWaalsContact C-N 3.26Å; M460-K462 PolarHBondContact O-N 2.98Å; K462-N464 VanDerWaalsContact C-N 3.31Å; K462-N464 PolarHBondContact O-N 3.25Å; K462-N465 PolarHBondContact O-N 3.38Å; K462-S466 PolarHBondContact O-N 3.25Å
463	T	63.2	Low	66.8	Low	86 Å²	86	124.6 Å²	124.6	53%	0.528	63%	0.631	S	S	.	*	H	α-helix	trans	-64.1	-34.9	-179.4	55.9	0	0	0	0	112.6	E459 M460 N465	E459-T463 PolarHBondContact O-N 3Å; E459-T463 VanDerWaalsContact O-N 3.11Å; M460-T463 WeakPolarHBondContact CA-OG1 3.43Å; M460-T463 PolarHBondContact O-N 3.24Å; M460-T463 PolarHBondContact O-OG1 2.79Å; T463-N465 VanDerWaalsContact C-N 3.3Å; T463-N465 PolarHBondContact O-N 2.96Å
464	N	59	Low	64.7	Low	113 Å²	113	127.6 Å²	127.6	60%	0.604	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-12.1	178.1	-71.8	-1.7	0	0	0	114.4	M460 K462	M460-N464 PolarHBondContact O-N 2.94Å; M460-N464 VanDerWaalsContact O-N 3.07Å; K462-N464 VanDerWaalsContact C-N 3.31Å; K462-N464 PolarHBondContact O-N 3.25Å
465	N	55.8	Low	62.2	Low	142 Å²	142	127.8 Å²	127.8	76%	0.759	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-0.4	178.6	-81.2	-47.1	0	0	0	113.8	N461 K462 T463	N461-N465 PolarHBondContact O-ND2 3.49Å; K462-N465 PolarHBondContact O-N 3.38Å; T463-N465 VanDerWaalsContact C-N 3.3Å; T463-N465 PolarHBondContact O-N 2.96Å
466	S	50.2	Low	60	Low	87 Å²	87	130.1 Å²	130.1	61%	0.608	68%	0.679	S	S	*	*			trans	-103.6	66	170.1	66.7	0	0	0	0	110.7	K462 D468	K462-S466 PolarHBondContact O-N 3.25Å; S466-D468 PolarHBondContact O-N 3.44Å; S466-D468 VanDerWaalsContact O-N 3.11Å
467	H	47.7	Very low	57.7	Low	168 Å²	168	131.7 Å²	131.7	78%	0.778	69%	0.687	S	S	*	*			trans	-84.7	67.1	171.8	-139.7	-65.3	0	0	0	109.9
468	D	47.1	Very low	55.9	Low	148 Å²	148	135.3 Å²	135.3	79%	0.791	71%	0.705	S	S	*	*			trans	-122.9	109.7	173.2	-152	-10.4	0	0	0	110	S466	S466-D468 PolarHBondContact O-N 3.44Å; S466-D468 VanDerWaalsContact O-N 3.11Å
469	L	44.9	Very low	53.9	Low	147 Å²	147	134.4 Å²	134.4	77%	0.77	71%	0.712	S	S	*	*			trans	-93.1	102.1	-170	-83.7	155.9	0	0	0	109.9
470	S	48.7	Very low	51.8	Low	110 Å²	110	137 Å²	137	77%	0.769	73%	0.726	S	S	*	*			trans	-135.5	131.6	160.2	59.3	0	0	0	0	111.7
471	H	45.2	Very low	49.8	Very low	192 Å²	192	138 Å²	138	89%	0.889	74%	0.737	S	S	*	*			trans	-72.4	138	-176.8	-63.8	-45.7	0	0	0	112.2
472	S	47.5	Very low	48.1	Very low	119 Å²	119	139.6 Å²	139.6	83%	0.832	75%	0.75	S	S	*	*				-160.6	137.1	126.6	55.6	0	0	0	0	112.1
473	N	40.6	Very low	46.3	Very low	163 Å²	163	140.4 Å²	140.4	87%	0.872	76%	0.756	S	S	*	*			trans	-72	136.2	174.9	-71.4	-44.3	0	0	0	111
474	K	47.6	Very low	45.1	Very low	213 Å²	213	141.1 Å²	141.1	93%	0.926	77%	0.771	S	S	*	*			trans	-155.2	128.4	148.1	-112.7	160.3	-171.4	175.7	0	112.1
475	S	39.2	Very low	44.2	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	77%	0.771	S	S	*	*			trans	-66.9	147.1	177.3	174.8	0	0	0	0	112.3
476	T	44	Very low	43.3	Very low	117 Å²	117	140.3 Å²	140.3	72%	0.718	77%	0.773	S	S	*	*			trans	-160.9	133.1	130.4	-68.4	0	0	0	0	109.9
477	H	41.2	Very low	42.7	Very low	152 Å²	152	141.8 Å²	141.8	70%	0.704	78%	0.779	S	S	*	*			trans	-69.2	137.1	175.1	-84.2	-111.2	0	0	0	112.7
478	H	48.7	Very low	42.1	Very low	176 Å²	176	140 Å²	140	82%	0.815	78%	0.78	S	S	*	*			trans	-135.8	117.7	150	-70.2	-58.9	0	0	0	111
479	N	44.1	Very low	41.8	Very low	133 Å²	133	138.3 Å²	138.3	71%	0.711	77%	0.774	S	S	*	*			trans	-71.7	130.1	-177.5	-66.9	-24.9	0	0	0	111.2	T481	N479-T481 PolarHBondContact O-N 2.85Å
480	M	40.4	Very low	41.4	Very low	184 Å²	184	139 Å²	139	91%	0.906	77%	0.773	S	S	*	*			trans	-73.4	110.2	160.9	-65.5	-156.6	87.8	0	0	109.2
481	T	38.9	Very low	40.9	Very low	102 Å²	102	144.7 Å²	144.7	63%	0.626	78%	0.778	S	S	*	*			trans	-116.9	97.5	171.1	-66.1	0	0	0	0	109	N479 Q483	N479-T481 PolarHBondContact O-N 2.85Å; T481-Q483 VanDerWaalsContact C-N 3.34Å; T481-Q483 HydrophobicContact CG2-CG 3.94Å; T481-Q483 PolarHBondContact O-N 3.34Å
482	T	40.5	Very low	40.3	Very low	133 Å²	133	143.7 Å²	143.7	82%	0.816	77%	0.773	S	S	*	*			trans	-79.6	80.2	175.9	-48.8	0	0	0	0	109.8	A484	T482-A484 PolarHBondContact O-N 2.83Å
483	Q	38.1	Very low	39.8	Very low	162 Å²	162	147.5 Å²	147.5	76%	0.757	77%	0.77	S	S	*	*			trans	-80.8	98.1	169.7	-86.8	-179.3	18	0	0	110.7	T481 S485	T481-Q483 VanDerWaalsContact C-N 3.34Å; T481-Q483 HydrophobicContact CG2-CG 3.94Å; T481-Q483 PolarHBondContact O-N 3.34Å; Q483-S485 PolarHBondContact O-N 2.8Å
484	A	38.1	Very low	39.6	Very low	101 Å²	101	146.4 Å²	146.4	84%	0.835	76%	0.759	S	S	*	*			trans	-79.8	84.8	163.5	0	0	0	0	0	109.4	T482	T482-A484 PolarHBondContact O-N 2.83Å
485	S	40.4	Very low	39.1	Very low	86 Å²	86	144.2 Å²	144.2	60%	0.601	76%	0.758	S	S	*	*			trans	-91	121.2	175.2	59.9	0	0	0	0	111.6	Q483	Q483-S485 PolarHBondContact O-N 2.8Å
486	N	35.3	Very low	39.4	Very low	152 Å²	152	145 Å²	145	81%	0.813	76%	0.761	S	S	*	*			trans	42.4	139.1	141.5	-52.1	-31.1	0	0	0	118.7
487	V	37.8	Very low	39	Very low	119 Å²	119	146.6 Å²	146.6	72%	0.721	76%	0.764	S	S	*	*			cis	-152.3	129.1	47.9	-178.6	0	0	0	0	110.2	V489	V487-V489 HydrophobicContact CG1-CG2 3.54Å
488	V	35.9	Very low	38.8	Very low	131 Å²	131	145 Å²	145	79%	0.794	76%	0.764	S	S	*	*			trans	-92.4	110.5	161.4	175.9	0	0	0	0	108.2
489	V	40.6	Very low	38.2	Very low	111 Å²	111	142.1 Å²	142.1	67%	0.673	76%	0.764	S	S	*	*			trans	-97.6	94.9	168.4	-174.1	0	0	0	0	108.8	V487 R491	V487-V489 HydrophobicContact CG1-CG2 3.54Å; V489-R491 PolarHBondContact O-N 3.04Å
490	H	35.7	Very low	38	Very low	162 Å²	162	144.9 Å²	144.9	75%	0.75	77%	0.77	S	S	*	*			trans	-65.4	128.6	157.1	-104.2	-72.2	0	0	0	108.6
491	R	39.3	Very low	38.1	Very low	229 Å²	229	143.9 Å²	143.9	86%	0.864	77%	0.768	S	S	*	*			trans	-143.9	98	154.2	-128.3	180	-174.7	112.2	1.3	109.8	V489	V489-R491 PolarHBondContact O-N 3.04Å
492	E	33.1	Very low	38.8	Very low	171 Å²	171	144.6 Å²	144.6	80%	0.799	77%	0.774	S	S	*	*			trans	-58.4	157.7	156.3	-56.6	172.7	121.4	0	0	109.3
493	R	36.1	Very low	38.6	Very low	200 Å²	200	144.1 Å²	144.1	76%	0.755	77%	0.773	S	S	*	*				151.3	121.1	115.1	-166.6	162.6	-170.8	136.3	20.3	113.1
494	E	36.4	Very low	38.5	Very low	140 Å²	140	141 Å²	141	65%	0.654	78%	0.775	S	S	*	*			trans	54	105.3	150.8	-66	156.1	-166.3	0	0	119.9	P496	E494-P496 WeakPolarHBondContact O-CD 3.33Å
495	N	38	Very low	38.7	Very low	167 Å²	167	146 Å²	146	89%	0.893	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-88.2	118.8	150.6	-88.9	-31.7	0	0	0	109.6
496	P	44.7	Very low	38.4	Very low	118 Å²	118	147.2 Å²	147.2	77%	0.766	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-87.3	157.3	167.1	31.8	-29.5	0	0	0	112.9	E494	E494-P496 WeakPolarHBondContact O-CD 3.33Å
497	L	35.2	Very low	38.7	Very low	150 Å²	150	145.1 Å²	145.1	79%	0.785	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-73	169.3	-170.5	-92.2	75.6	0	0	0	116.1
498	T	36.6	Very low	38.9	Very low	117 Å²	117	145.9 Å²	145.9	72%	0.718	79%	0.786	S	S	*	*			trans	73.3	117.2	145.4	45.5	0	0	0	0	121.4
499	S	38.1	Very low	39.2	Very low	116 Å²	116	147.9 Å²	147.9	81%	0.811	79%	0.789	S	S	*	*				-151.7	122.7	101.3	64.9	0	0	0	0	111.6
500	K	39.4	Very low	39.3	Very low	191 Å²	191	147.3 Å²	147.3	83%	0.83	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.2	139.2	-180	-62.5	168.7	177.2	177	0	111
501	L	41.5	Very low	39.8	Very low	164 Å²	164	148.8 Å²	148.8	86%	0.859	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-84.3	133	153.4	-93.6	83.7	0	0	0	109.2
502	P	54.4	Low	39.7	Very low	116 Å²	116	143.7 Å²	143.7	75%	0.753	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-88.8	147.4	168	34.7	-32	0	0	0	111.6
503	P	35.8	Very low	40.3	Very low	123 Å²	123	143 Å²	143	80%	0.799	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-96	160.2	176.6	36.7	-34.1	0	0	0	114.2
504	A	37.1	Very low	40.6	Very low	96 Å²	96	139 Å²	139	79%	0.793	79%	0.788	S	S	*	*			trans	64.6	127.5	152	0	0	0	0	0	121.5
505	K	40.9	Very low	40.7	Very low	207 Å²	207	139.8 Å²	139.8	90%	0.9	80%	0.795	S	S	*	*				-164.9	128.5	128.2	-110.3	174.7	-175.2	-179	0	111.8
506	P	34.9	Very low	41	Very low	111 Å²	111	136.6 Å²	136.6	72%	0.721	78%	0.783	S	S	*	*			trans	-96.8	-176.5	168.4	38.2	-33.2	0	0	0	112.3
507	S	42	Very low	40.8	Very low	109 Å²	109	138 Å²	138	76%	0.762	78%	0.784	S	S	*	*			trans	86.8	146.7	-179.6	-48.2	0	0	0	0	114.5
508	T	40.9	Very low	41	Very low	134 Å²	134	136.1 Å²	136.1	82%	0.822	78%	0.784	S	S	*	*			cis	-155.6	152.6	12.1	-18.4	0	0	0	0	111.6
509	M	41.5	Very low	41.1	Very low	173 Å²	173	134.5 Å²	134.5	85%	0.852	79%	0.79	S	S	*	*			trans	-113.5	178.7	152.5	-73	-154.4	84.8	0	0	108.4
510	P	44.6	Very low	41.3	Very low	100 Å²	100	136.5 Å²	136.5	65%	0.649	79%	0.787	S	S	*	*			cis	-126.3	-175.7	-14.7	36.9	-20	0	0	0	112.6
511	K	45.6	Very low	41.3	Very low	193 Å²	193	137.6 Å²	137.6	84%	0.839	79%	0.787	S	S	*	*				171.9	140.3	128.4	-96.5	170.3	-176.3	-178.4	0	112.9
512	P	36.7	Very low	41.1	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	78%	0.781	S	S	*	*			trans	-99	152.9	166.9	37.5	-31.1	0	0	0	112.7
513	N	46.4	Very low	40.3	Very low	156 Å²	156	132.8 Å²	132.8	83%	0.834	78%	0.782	S	S	*	*			trans	-145.7	159.6	168.8	-82.5	-11.8	0	0	0	107.9
514	T	41.6	Very low	40.4	Very low	118 Å²	118	134.3 Å²	134.3	72%	0.724	78%	0.782	S	S	*	*			cis	-167	160	-24.1	-78.6	0	0	0	0	107.3
515	I	38.9	Very low	40.4	Very low	156 Å²	156	137 Å²	137	80%	0.8	78%	0.783	S	S	*	*			trans	-137.7	151.4	-167.7	-73.1	161.2	0	0	0	107.5
516	P	44.9	Very low	40.2	Very low	99 Å²	99	131.9 Å²	131.9	64%	0.643	78%	0.779	S	S	*	*			cis	-135.7	-157.5	19.6	35.2	-11.2	0	0	0	115.7
517	N	40.7	Very low	40.2	Very low	148 Å²	148	132.2 Å²	132.2	79%	0.791	78%	0.781	S	S	*	*			trans	77.6	151.5	150.2	-75.1	-3.3	0	0	0	120.2
518	S	39	Very low	39.8	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	78%	0.783	S	S	*	*			cis	-171.1	148.9	-16.6	48.1	0	0	0	0	109.7
519	G	38.9	Very low	39.5	Very low	82 Å²	82	135.5 Å²	135.5	85%	0.845	79%	0.785	S	S	*	*			trans	-175.3	123.4	172.9	0	0	0	0	0	114.3
520	Q	41.8	Very low	39.3	Very low	159 Å²	159	132.7 Å²	132.7	74%	0.743	78%	0.78	S	S	*	*			trans	-106	163.4	-173.3	-69.8	171.9	-47.3	0	0	113.6
521	Y	39.3	Very low	39	Very low	213 Å²	213	133.7 Å²	133.7	84%	0.835	79%	0.786	S	S	*	*			trans	126.6	138	137.8	-75.8	-72.4	0	0	0	119.3
522	G	36.8	Very low	38.2	Very low	72 Å²	72	135.6 Å²	135.6	74%	0.742	79%	0.788	S	S	*	*			trans	87.3	92.6	167.9	0	0	0	0	0	115.3
523	S	37.7	Very low	37.8	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	79%	0.789	S	S	*	*			cis	76.7	103	48.7	-160.2	0	0	0	0	115.5
524	L	38.2	Very low	36.9	Very low	154 Å²	154	138.8 Å²	138.8	81%	0.806	79%	0.789	S	S	*	*				167.5	123.5	121	-89.1	163.9	0	0	0	114.8
525	N	36.3	Very low	36.3	Very low	153 Å²	153	138 Å²	138	82%	0.818	78%	0.777	S	S	*	*			trans	-3	131.8	159.8	-58.1	-22.2	0	0	0	122.9
526	A	37.8	Very low	35.9	Very low	99 Å²	99	137.6 Å²	137.6	82%	0.818	77%	0.773	S	S	*	*				-165.1	145.9	124.9	0	0	0	0	0	111.5
527	P	34.5	Very low	35.4	Very low	118 Å²	118	138.8 Å²	138.8	77%	0.766	77%	0.768	S	S	*	*			trans	-102.8	162.5	-166	38.4	-36.1	0	0	0	117.2
528	S	33	Very low	35.6	Very low	114 Å²	114	132.8 Å²	132.8	80%	0.797	74%	0.736	S	S	*	*			trans	70.2	106.9	151.8	71.5	0	0	0	0	120.7
529	K	35.8	Very low	35.7	Very low	199 Å²	199	130.3 Å²	130.3	87%	0.865	71%	0.714	S	S	*	*			trans	-155.4	129.6	137.5	-121.3	164.5	-171.1	161	0	110.4
530	P	37.6	Very low	36.3	Very low	114 Å²	114	128.2 Å²	128.2	74%	0.74	68%	0.683	S	S	*	*			trans	-74	151.4	-177.2	30	-35	0	0	0	111.8	R532	P530-R532 PolarHBondContact O-N 3Å
531	P	36.9	Very low	36.1	Very low	120 Å²	120	125.3 Å²	125.3	78%	0.779	68%	0.681	S	S	*	*			trans	-73.6	117.3	-176.2	29	-33.8	0	0	0	111.4	K533	P531-K533 VanDerWaalsContact C-N 3.32Å; P531-K533 PolarHBondContact O-N 2.89Å
532	R	30.5	Very low	36.3	Very low	234 Å²	234	116.7 Å²	116.7	88%	0.883	65%	0.647	S	S	*	*			trans	-68.3	88	168.8	-96.6	-172.6	-86.4	-177.6	-6.9	110.6	P530 L534	P530-R532 PolarHBondContact O-N 3Å; R532-L534 PolarHBondContact O-N 3.48Å
533	K	28.2	Very low	36.5	Very low	187 Å²	187	122.6 Å²	122.6	81%	0.813	65%	0.652	S	S	*	*			trans	-77.3	80	178	-150.4	178.8	-169.5	179.3	0	110.3	P531 E535	P531-K533 VanDerWaalsContact C-N 3.32Å; P531-K533 PolarHBondContact O-N 2.89Å; K533-E535 PolarHBondContact O-N 3.49Å; K533-E535 VanDerWaalsContact O-N 3.16Å
534	L	27.3	Very low	36.4	Very low	156 Å²	156	122.7 Å²	122.7	82%	0.817	64%	0.644	S	S	*	*			trans	-78.1	93.6	173.9	-96.1	154	0	0	0	110.4	R532 M536	R532-L534 PolarHBondContact O-N 3.48Å; L534-M536 PolarHBondContact O-N 3.18Å
535	E	29	Very low	36.1	Very low	101 Å²	101	121.2 Å²	121.2	47%	0.472	64%	0.637	S	S	.	*			trans	-79.7	104.2	177.7	-165.2	172.4	118	0	0	111	K279 K533 K537	K279-E535 VanDerWaalsContact CE-OE1 3.31Å; K279-E535 WeakPolarHBondContact CE-OE1 3.41Å; K279-E535 VanDerWaalsContact CE-OE2 3.27Å; K279-E535 WeakPolarHBondContact CE-OE2 3.47Å; K279-E535 IonicContact NZ-OE1 3.71Å; K279-E535 PolarHBondContact NZ-OE1 3.48Å; K279-E535 IonicContact NZ-OE2 3.27Å; K279-E535 PolarHBondContact NZ-OE2 2.88Å; K533-E535 PolarHBondContact O-N 3.49Å; K533-E535 VanDerWaalsContact O-N 3.16Å; E535-K537 PolarHBondContact O-N 2.95Å; E535-K537 VanDerWaalsContact O-N 3.14Å
536	M	29.8	Very low	36	Very low	148 Å²	148	119.4 Å²	119.4	73%	0.729	63%	0.627	S	S	*	*			trans	-72.7	103.2	177.3	-70.4	-173.7	175.2	0	0	111.4	L534	L534-M536 PolarHBondContact O-N 3.18Å
537	K	34.7	Very low	35.7	Very low	125 Å²	125	121.6 Å²	121.6	54%	0.543	63%	0.631	S	S	.	*			trans	-79.6	117.4	170.5	-73.2	-171.5	179.1	-174.7	0	111.2	R345 E535 D539	R345-K537 VanDerWaalsContact CZ-O 3.3Å; R345-K537 PolarHBondContact NE-O 3.04Å; R345-K537 PolarHBondContact NH2-O 2.87Å; E535-K537 PolarHBondContact O-N 2.95Å; E535-K537 VanDerWaalsContact O-N 3.14Å; K537-D539 WeakPolarHBondContact CB-OD1 3.45Å
538	N	45.3	Very low	35.5	Very low	21 Å²	21	121.6 Å²	121.6	11%	0.112	63%	0.629	C	S	.	*			trans	-105	91	170.4	-76.6	-17.5	0	0	0	108.3	W316	W316-N538 HydrophobicContact CH2-CB 4.26Å; W316-N538 HydrophobicContact CZ2-CB 4.14Å
539	D	41.3	Very low	35.4	Very low	60 Å²	60	124.2 Å²	124.2	32%	0.321	63%	0.634	S	S	.	*			trans	-115.5	128.6	-169.5	-66.8	25	0	0	0	108.9	K275 K537	K275-D539 VanDerWaalsContact NZ-CG 3.33Å; K275-D539 IonicContact NZ-OD2 3.15Å; K275-D539 PolarHBondContact NZ-OD2 2.64Å; K537-D539 WeakPolarHBondContact CB-OD1 3.45Å
540	I	50	Low	35	Very low	37 Å²	37	120.1 Å²	120.1	19%	0.19	63%	0.63	C	S	.	*			trans	-127.7	121.5	166.4	-55	173	0	0	0	106.1	K275 W316 V320 Y542	K275-I540 WeakPolarHBondContact CG-O 3.43Å; W316-I540 HydrophobicContact CH2-CD1 4.34Å; W316-I540 HydrophobicContact CZ2-CD1 4.04Å; W316-I540 HydrophobicContact CZ2-CG1 4.45Å; V320-I540 HydrophobicContact CG1-CD1 3.67Å; V320-I540 HydrophobicContact CG2-CD1 4.23Å; I540-Y542 HydrophobicContact CB-CE2 4.46Å; I540-Y542 HydrophobicContact CG2-CD1 4.4Å; I540-Y542 HydrophobicContact CG2-CD2 4.44Å; I540-Y542 HydrophobicContact CG2-CE1 3.75Å; I540-Y542 HydrophobicContact CG2-CE2 3.82Å; I540-Y542 VanDerWaalsContact CG2-CZ 3.44Å
541	S	39.1	Very low	34.6	Very low	99 Å²	99	118.5 Å²	118.5	69%	0.692	62%	0.622	S	S	*	*	B	Isolated β-bridge	trans	-116.5	134.7	177.5	171.2	0	0	0	0	107.8
542	Y	43.5	Very low	34.5	Very low	31 Å²	31	119.7 Å²	119.7	12%	0.122	61%	0.614	C	S	.	*			trans	-110.1	129.8	-176.3	-59.2	-81.8	0	0	0	109.8	H323 L328 I540	H323-Y542 AromaticContact CE1-CD1 3.67Å; H323-Y542 AromaticContact CE1-CD2 3.15Å; H323-Y542 WeakPolarHBondContact CE1-CD2 3.48Å; H323-Y542 AromaticContact CE1-CE1 3.75Å; H323-Y542 AromaticContact CE1-CE2 3.22Å; H323-Y542 WeakPolarHBondContact CE1-CE2 3.44Å; H323-Y542 AromaticContact CE1-CG 3.36Å; H323-Y542 AromaticContact CE1-CZ 3.51Å; H323-Y542 AromaticContact ND1-CD2 3.84Å; H323-Y542 AromaticContact ND1-CE1 3.71Å; H323-Y542 AromaticContact ND1-CE2 3.41Å; H323-Y542 WeakPolarHBondContact ND1-CE2 3.47Å; H323-Y542 AromaticContact ND1-CZ 3.31Å; H323-Y542 VanDerWaalsContact ND1-CZ 3.31Å; H323-Y542 AromaticContact NE2-CD2 3.56Å; H323-Y542 AromaticContact NE2-CE2 3.72Å; L328-Y542 HydrophobicContact CD1-CE1 4.47Å; L328-Y542 HydrophobicContact CD2-CD1 4.35Å; I540-Y542 HydrophobicContact CB-CE2 4.46Å; I540-Y542 HydrophobicContact CG2-CD1 4.4Å; I540-Y542 HydrophobicContact CG2-CD2 4.44Å; I540-Y542 HydrophobicContact CG2-CE1 3.75Å; I540-Y542 HydrophobicContact CG2-CE2 3.82Å; I540-Y542 VanDerWaalsContact CG2-CZ 3.44Å
543	K	40.2	Very low	34.9	Very low	196 Å²	196	115.3 Å²	115.3	85%	0.852	60%	0.602	S	S	*	*			trans	-83.6	137.4	169	-69.5	-172.2	174.5	-172.6	0	108.9	N545	K543-N545 PolarHBondContact O-N 2.93Å
544	N	36	Very low	36	Very low	110 Å²	110	109.2 Å²	109.2	59%	0.588	59%	0.593	S	S	*	*			trans	-73.7	113.4	-176.8	-107.6	-12.9	0	0	0	111.3	R327	R327-N544 PolarHBondContact NH2-OD1 3.27Å
545	N	31.3	Very low	37.4	Very low	124 Å²	124	102.3 Å²	102.3	66%	0.663	56%	0.557	S	S	*	*			trans	-120.2	136.1	159	-70.8	2.8	0	0	0	108.1	K543	K543-N545 PolarHBondContact O-N 2.93Å
546	N	34.5	Very low	38.5	Very low	114 Å²	114	100.8 Å²	100.8	61%	0.61	56%	0.557	S	S	*	*	S	Bend	trans	87.8	161.7	166.4	-54.7	-22.6	0	0	0	119.7	T329	T329-N546 WeakPolarHBondContact CG2-ND2 3.39Å; T329-N546 PolarHBondContact OG1-ND2 2.88Å; T329-N546 VanDerWaalsContact OG1-ND2 3.15Å
547	T	31.6	Very low	39.8	Very low	145 Å²	145	99.2 Å²	99.2	89%	0.89	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-84.3	147.9	-143.6	21.9	0	0	0	0	115.5
548	T	30.5	Very low	40.5	Very low	118 Å²	118	95.4 Å²	95.4	72%	0.724	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-94.6	120.4	-176.3	50.9	0	0	0	0	113.1
549	N	29.9	Very low	41.1	Very low	170 Å²	170	95.4 Å²	95.4	91%	0.909	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-93.7	124.8	146.5	-85.5	-13	0	0	0	108.2
550	S	27.4	Very low	42	Very low	113 Å²	113	94.3 Å²	94.3	79%	0.79	55%	0.546	S	S	*	.			trans	-88.5	113.9	-176.1	-175.1	0	0	0	0	111.2
551	S	30	Very low	42.4	Very low	79 Å²	79	100 Å²	100	55%	0.552	57%	0.572	S	S	*	*			trans	-109.1	113.6	167.6	65	0	0	0	0	110.2	F553	S551-F553 PolarHBondContact O-N 3.02Å
552	K	33.4	Very low	43.2	Very low	145 Å²	145	97.2 Å²	97.2	63%	0.63	55%	0.552	S	S	*	*			trans	-69.4	90.7	-177.1	-70.8	-170.1	168.1	-147.3	0	113	E292	E292-K552 WeakPolarHBondContact OE1-CE 3.4Å; E292-K552 IonicContact OE1-NZ 2.66Å; E292-K552 PolarHBondContact OE1-NZ 3.22Å; E292-K552 IonicContact OE2-NZ 3.33Å; E292-K552 PolarHBondContact OE2-NZ 3.29Å; E292-K552 VanDerWaalsContact OE2-NZ 3.15Å
553	F	38.9	Very low	43.9	Very low	142 Å²	142	95.7 Å²	95.7	62%	0.623	55%	0.546	S	S	*	.			trans	-147.5	78	165.1	-77.9	-70.8	0	0	0	112.2	S551	S551-F553 PolarHBondContact O-N 3.02Å
554	G	52.8	Low	44.8	Very low	60 Å²	60	88.3 Å²	88.3	62%	0.619	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-77.1	158.3	164.1	0	0	0	0	0	111.9
555	I	56.3	Low	45.6	Very low	11 Å²	11	87.8 Å²	87.8	6%	0.056	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-63.8	135.6	169.9	-65.8	-177	0	0	0	109.4	V258 F268 K560	V258-I555 HydrophobicContact CG2-CD1 4.17Å; F268-I555 HydrophobicContact CD1-CD1 4.03Å; F268-I555 HydrophobicContact CE1-CD1 3.23Å; F268-I555 HydrophobicContact CE1-CG1 4.18Å; F268-I555 HydrophobicContact CE2-CD1 4.09Å; F268-I555 HydrophobicContact CZ-CD1 3.28Å; I555-K560 HydrophobicContact CB-CG 4.13Å; I555-K560 HydrophobicContact CG2-CG 3.92Å; I555-K560 WeakPolarHBondContact O-CE 3.38Å
556	S	52.9	Low	46.3	Very low	69 Å²	69	88 Å²	88	48%	0.483	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-53.8	141.6	176.1	179.4	0	0	0	0	111.8	G558 S559 K560	S556-G558 VanDerWaalsContact C-N 3.27Å; S556-G558 PolarHBondContact O-N 3.11Å; S556-S559 CarbonylContact O-C 3.56Å; S556-S559 WeakPolarHBondContact O-CA 2.98Å; S556-S559 WeakPolarHBondContact O-CB 3.26Å; S556-S559 PolarHBondContact O-N 3.3Å; S556-K560 PolarHBondContact O-N 3.23Å
557	T	55.5	Low	46.6	Very low	114 Å²	114	89.5 Å²	89.5	70%	0.699	52%	0.524	S	S	*	.	H	α-helix	trans	-57.9	-35.9	-175	48.1	0	0	0	0	113.3
558	G	49.7	Very low	47.4	Very low	45 Å²	45	86.7 Å²	86.7	46%	0.464	51%	0.505	S	S	.	.	H	α-helix	trans	-65.4	-44.2	172.5	0	0	0	0	0	112.5	S556 K560 Q561	S556-G558 VanDerWaalsContact C-N 3.27Å; S556-G558 PolarHBondContact O-N 3.11Å; G558-K560 VanDerWaalsContact C-N 3.35Å; G558-K560 PolarHBondContact O-N 3.44Å; G558-Q561 PolarHBondContact O-N 3.18Å
559	S	58.7	Low	48.3	Very low	22 Å²	22	85.1 Å²	85.1	15%	0.154	49%	0.494	C	S	.	.	H	α-helix	trans	-68.1	-30.6	178.5	-52	0	0	0	0	112.9	S556 Q561 C562 F563	S556-S559 CarbonylContact O-C 3.56Å; S556-S559 WeakPolarHBondContact O-CA 2.98Å; S556-S559 WeakPolarHBondContact O-CB 3.26Å; S556-S559 PolarHBondContact O-N 3.3Å; S559-Q561 VanDerWaalsContact C-N 3.27Å; S559-Q561 PolarHBondContact O-N 3.38Å; S559-C562 PolarHBondContact O-N 3.41Å; S559-F563 WeakPolarHBondContact O-CD2 3.43Å; S559-F563 WeakPolarHBondContact O-CE2 3.33Å
560	K	60.1	Low	49.3	Very low	36 Å²	36	80.3 Å²	80.3	16%	0.157	47%	0.471	C	S	.	.	H	α-helix	trans	-54.2	-42.5	176.1	-74.8	-172.5	175.1	-171.2	0	111.7	D289 I555 S556 G558 C562 F563 E564	D289-K560 IonicContact OD2-NZ 2.85Å; D289-K560 PolarHBondContact OD2-NZ 3.43Å; I555-K560 HydrophobicContact CB-CG 4.13Å; I555-K560 HydrophobicContact CG2-CG 3.92Å; I555-K560 WeakPolarHBondContact O-CE 3.38Å; S556-K560 PolarHBondContact O-N 3.23Å; G558-K560 VanDerWaalsContact C-N 3.35Å; G558-K560 PolarHBondContact O-N 3.44Å; K560-C562 PolarHBondContact O-N 3.05Å; K560-C562 VanDerWaalsContact O-N 3.15Å; K560-F563 PolarHBondContact O-N 3.1Å; K560-F563 VanDerWaalsContact O-N 3.12Å; K560-E564 WeakPolarHBondContact O-CB 3.5Å; K560-E564 PolarHBondContact O-N 3.07Å
561	Q	57.4	Low	50.6	Low	158 Å²	158	78.4 Å²	78.4	74%	0.738	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.5	-177.1	-62.9	-171.7	2.8	0	0	114.2	G558 S559 F563	G558-Q561 PolarHBondContact O-N 3.18Å; S559-Q561 VanDerWaalsContact C-N 3.27Å; S559-Q561 PolarHBondContact O-N 3.38Å; Q561-F563 PolarHBondContact O-N 3.43Å
562	C	57.3	Low	51.9	Low	39 Å²	39	78.4 Å²	78.4	26%	0.264	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.8	-178.8	-59.3	0	0	0	0	113.7	K242 S559 K560	K242-C562 VanDerWaalsContact CB-O 3.25Å; K242-C562 WeakPolarHBondContact CB-O 3.45Å; K242-C562 PolarHBondContact N-O 2.99Å; S559-C562 PolarHBondContact O-N 3.41Å; K560-C562 PolarHBondContact O-N 3.05Å; K560-C562 VanDerWaalsContact O-N 3.15Å
563	F	58.2	Low	53.1	Low	0 Å²	0	73.9 Å²	73.9	0%	0	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-27.9	-172.7	-53.5	-67.2	0	0	0	113.5	Y247 V258 I265 F302 C303 F304 S559 K560 Q561	Y247-F563 HydrophobicContact CD1-CE1 4.14Å; Y247-F563 AromaticContact CD1-CZ 3.6Å; Y247-F563 HydrophobicContact CD1-CZ 3.6Å; Y247-F563 AromaticContact CD2-CE1 3.51Å; Y247-F563 HydrophobicContact CD2-CE1 3.51Å; Y247-F563 AromaticContact CD2-CZ 3.84Å; Y247-F563 HydrophobicContact CD2-CZ 3.84Å; Y247-F563 HydrophobicContact CE1-CE1 4.19Å; Y247-F563 HydrophobicContact CE1-CE2 4.45Å; Y247-F563 AromaticContact CE1-CZ 3.52Å; Y247-F563 HydrophobicContact CE1-CZ 3.52Å; Y247-F563 AromaticContact CE2-CE1 3.56Å; Y247-F563 HydrophobicContact CE2-CE1 3.56Å; Y247-F563 AromaticContact CE2-CZ 3.75Å; Y247-F563 HydrophobicContact CE2-CZ 3.75Å; Y247-F563 AromaticContact CG-CE1 3.79Å; Y247-F563 HydrophobicContact CG-CE1 3.79Å; Y247-F563 AromaticContact CG-CZ 3.74Å; Y247-F563 HydrophobicContact CG-CZ 3.74Å; Y247-F563 AromaticContact CZ-CE1 3.9Å; Y247-F563 AromaticContact CZ-CZ 3.58Å; V258-F563 HydrophobicContact CG1-CE2 4.36Å; V258-F563 HydrophobicContact CG1-CZ 4.12Å; I265-F563 HydrophobicContact CD1-CE2 3.72Å; I265-F563 HydrophobicContact CD1-CZ 3.88Å; F302-F563 HydrophobicContact CB-CB 4.31Å; F302-F563 HydrophobicContact CD1-CB 3.56Å; F302-F563 HydrophobicContact CE1-CB 4.36Å; F302-F563 HydrophobicContact CG-CB 4.38Å; C303-F563 PolarHBondContact N-O 3.41Å; F304-F563 HydrophobicContact CD1-CD1 4.04Å; F304-F563 HydrophobicContact CD1-CE1 4.23Å; F304-F563 AromaticContact CE1-CD1 3.37Å; F304-F563 HydrophobicContact CE1-CD1 3.37Å; F304-F563 AromaticContact CE1-CE1 3.6Å; F304-F563 HydrophobicContact CE1-CE1 3.6Å; F304-F563 HydrophobicContact CE1-CG 4.07Å; F304-F563 HydrophobicContact CE1-CZ 4.44Å; F304-F563 HydrophobicContact CZ-CD1 4.07Å; F304-F563 HydrophobicContact CZ-CG 4.34Å; S559-F563 WeakPolarHBondContact O-CD2 3.43Å; S559-F563 WeakPolarHBondContact O-CE2 3.33Å; K560-F563 PolarHBondContact O-N 3.1Å; K560-F563 VanDerWaalsContact O-N 3.12Å; Q561-F563 PolarHBondContact O-N 3.43Å
564	E	57.6	Low	54.1	Low	41 Å²	41	69.1 Å²	69.1	19%	0.192	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	134.1	-170.6	-165.8	173	155.5	0	0	112.1	K242 H300 F302 K560	K242-E564 PolarHBondContact NZ-O 3.38Å; H300-E564 IonicContact CE1-OE1 2.74Å; H300-E564 PolarHBondContact CE1-OE1 2.69Å; H300-E564 IonicContact CG-OE1 2.8Å; H300-E564 IonicContact ND1-OE1 2.67Å; H300-E564 PolarHBondContact ND1-OE1 3.06Å; H300-E564 IonicContact ND1-OE2 2.76Å; H300-E564 PolarHBondContact ND1-OE2 3.14Å; F302-E564 HydrophobicContact CD1-CB 4.29Å; F302-E564 HydrophobicContact CE1-CB 3.93Å; F302-E564 HydrophobicContact CE1-CG 4.27Å; K560-E564 WeakPolarHBondContact O-CB 3.5Å; K560-E564 PolarHBondContact O-N 3.07Å
565	Y	54.1	Low	54.2	Low	98 Å²	98	69.8 Å²	69.8	38%	0.384	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.2	156	-66.9	-100.7	0	0	0	106.3	K242 A301 C303 V567	K242-Y565 HydrophobicContact CB-CE2 4.39Å; K242-Y565 HydrophobicContact CD-CD2 4.33Å; K242-Y565 HydrophobicContact CD-CE1 4.13Å; K242-Y565 HydrophobicContact CD-CE2 3.74Å; K242-Y565 HydrophobicContact CG-CE2 4.1Å; K242-Y565 WeakPolarHBondContact CG-OH 3.43Å; A301-Y565 PolarHBondContact O-N 3.11Å; C303-Y565 HydrophobicContact CB-CD2 4.11Å; C303-Y565 HydrophobicContact CB-CE2 3.8Å; Y565-V567 PolarHBondContact O-N 2.92Å
566	T	45.1	Very low	54.1	Low	129 Å²	129	74.7 Å²	74.7	79%	0.791	43%	0.434	S	S	*	.			trans	-55.6	129.3	162.9	-43.4	0	0	0	0	107.6
567	V	42.3	Very low	54.2	Low	145 Å²	145	75.2 Å²	75.2	88%	0.879	43%	0.429	S	S	*	.			trans	-79.4	0	-174.1	178.6	0	0	0	0	111	A301 Y565	A301-V567 HydrophobicContact CB-CG2 3.58Å; Y565-V567 PolarHBondContact O-N 2.92Å

Retrieved 567 of 567 residues in 936.6 ms (Link to these results)

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