A0A067Y3P4_ORYSJ Loading...

protein disulfide-isomerase

Acts as a protein-folding catalyst that interacts with nascent polypeptides to catalyze the formation, isomerization, and reduction or oxidation of disulfide bonds. May play a role in storage protein biogenesis.

AlphaFold DB (Q75M08), UniProt , Accession A0A067Y3P4, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.4	Very low	42.2	Very low	252 Å²	252	155.7 Å²	155.7	100%	1.241	84%	0.838	S	S	*	*				0	119.7	0	-79.1	171.1	173.7	0	0	107.5
2	A	41.7	Very low	42.4	Very low	95 Å²	95	151.3 Å²	151.3	79%	0.785	84%	0.839	S	S	*	*			trans	-83.9	137	-173.9	0	0	0	0	0	111.5
3	T	37.3	Very low	42.6	Very low	106 Å²	106	147.6 Å²	147.6	65%	0.65	83%	0.83	S	S	*	*			trans	57.7	129.5	146	-39.8	0	0	0	0	119.8	Q5	T3-Q5 HydrophobicContact CG2-CB 4.23Å; T3-Q5 HydrophobicContact CG2-CG 3.81Å; T3-Q5 VanDerWaalsContact CG2-N 3.25Å
4	P	43.6	Very low	42.3	Very low	120 Å²	120	148.3 Å²	148.3	78%	0.779	83%	0.829	S	S	*	*				-123.9	119.3	120.7	20.9	-4.2	0	0	0	111
5	Q	41.5	Very low	42.4	Very low	182 Å²	182	147.8 Å²	147.8	85%	0.85	82%	0.823	S	S	*	*			trans	-76.2	119.4	163.2	-82.9	-176.7	-19.7	0	0	107.2	T3	T3-Q5 HydrophobicContact CG2-CB 4.23Å; T3-Q5 HydrophobicContact CG2-CG 3.81Å; T3-Q5 VanDerWaalsContact CG2-N 3.25Å
6	I	45.4	Very low	42.3	Very low	161 Å²	161	147.1 Å²	147.1	83%	0.826	82%	0.817	S	S	*	*			trans	-107.8	105.2	167.6	-63.4	177.9	0	0	0	108.4
7	S	45.5	Very low	42.3	Very low	90 Å²	90	147.6 Å²	147.6	63%	0.629	82%	0.816	S	S	*	*			trans	-3	120.2	159.8	-174.1	0	0	0	0	118.5	K9	S7-K9 PolarHBondContact O-N 2.94Å; S7-K9 VanDerWaalsContact O-N 3.11Å
8	R	40.8	Very low	42.4	Very low	249 Å²	249	145.9 Å²	145.9	94%	0.94	81%	0.81	S	S	*	*			trans	-70.2	83.1	160	-71.3	175.2	160.6	-180	-5.7	110.8
9	K	40.8	Very low	42.4	Very low	185 Å²	185	143.2 Å²	143.2	80%	0.804	81%	0.809	S	S	*	*			trans	-151.9	105.2	161.7	-70.3	-167.8	-179.8	179.8	0	109.8	S7	S7-K9 PolarHBondContact O-N 2.94Å; S7-K9 VanDerWaalsContact O-N 3.11Å
10	A	42	Very low	42.5	Very low	93 Å²	93	140.4 Å²	140.4	77%	0.769	80%	0.804	S	S	*	*			trans	148.6	87.1	147.9	0	0	0	0	0	110.3
11	L	43.2	Very low	42.5	Very low	180 Å²	180	138.3 Å²	138.3	94%	0.942	80%	0.804	S	S	*	*			trans	-166.8	59.3	151.5	-99.8	136.7	0	0	0	106.4
12	A	45.1	Very low	42.4	Very low	103 Å²	103	130.6 Å²	130.6	85%	0.851	78%	0.78	S	S	*	*			trans	-88	105.9	165.7	0	0	0	0	0	106.6	L14	A12-L14 PolarHBondContact O-N 3.3Å
13	S	44	Very low	42.4	Very low	103 Å²	103	130.5 Å²	130.5	72%	0.72	78%	0.78	S	S	*	*			trans	-47.2	119.1	-178.9	-52.4	0	0	0	0	112.8	L15	S13-L15 PolarHBondContact O-N 2.71Å
14	L	39.3	Very low	42.3	Very low	157 Å²	157	131.3 Å²	131.3	82%	0.822	78%	0.784	S	S	*	*			trans	-79.6	86.9	166	-168.8	76.5	0	0	0	108.1	A12 L16	A12-L14 PolarHBondContact O-N 3.3Å; L14-L16 HydrophobicContact CD1-CD1 4.11Å
15	L	42.8	Very low	41.9	Very low	141 Å²	141	130.5 Å²	130.5	74%	0.738	78%	0.782	S	S	*	*			trans	-103.1	78.1	170.4	-101.5	148.4	0	0	0	108.3	S13 L17	S13-L15 PolarHBondContact O-N 2.71Å; L15-L17 PolarHBondContact O-N 3.49Å
16	L	41.1	Very low	41.9	Very low	137 Å²	137	128 Å²	128	72%	0.717	78%	0.778	S	S	*	*			trans	-89	92.1	166.6	-109.5	138.5	0	0	0	107.9	L14 V18	L14-L16 HydrophobicContact CD1-CD1 4.11Å; L16-V18 PolarHBondContact O-N 3.47Å; L16-V18 VanDerWaalsContact O-N 3.09Å
17	L	42.9	Very low	41.5	Very low	155 Å²	155	124.5 Å²	124.5	81%	0.812	77%	0.774	S	S	*	*			trans	-70.6	91.7	167.7	-93.3	142.4	0	0	0	108.8	L15 A19	L15-L17 PolarHBondContact O-N 3.49Å; L17-A19 PolarHBondContact O-N 3.02Å
18	V	43.9	Very low	41.3	Very low	117 Å²	117	124.4 Å²	124.4	71%	0.709	77%	0.773	S	S	*	*			trans	-80	95.1	163.9	-178.6	0	0	0	0	107.1	L16 A20	L16-V18 PolarHBondContact O-N 3.47Å; L16-V18 VanDerWaalsContact O-N 3.09Å; V18-A20 VanDerWaalsContact C-N 3.26Å; V18-A20 PolarHBondContact O-N 2.9Å
19	A	43.1	Very low	41.6	Very low	95 Å²	95	117.5 Å²	117.5	79%	0.785	77%	0.77	S	S	*	*			trans	-71.1	85.8	167.4	0	0	0	0	0	108.6	L17 A21	L17-A19 PolarHBondContact O-N 3.02Å; A19-A21 VanDerWaalsContact C-N 3.33Å; A19-A21 PolarHBondContact O-N 3.43Å
20	A	42.9	Very low	42.9	Very low	86 Å²	86	110.6 Å²	110.6	71%	0.711	74%	0.741	S	S	*	*			trans	-71.4	94.6	165.6	0	0	0	0	0	107.7	V18 A22	V18-A20 VanDerWaalsContact C-N 3.26Å; V18-A20 PolarHBondContact O-N 2.9Å; A20-A22 VanDerWaalsContact C-N 3.29Å; A20-A22 PolarHBondContact O-N 3.01Å
21	A	42.8	Very low	44.9	Very low	97 Å²	97	108.7 Å²	108.7	80%	0.802	72%	0.718	S	S	*	*			trans	-64.2	95.9	165	0	0	0	0	0	107.6	A19 A23	A19-A21 VanDerWaalsContact C-N 3.33Å; A19-A21 PolarHBondContact O-N 3.43Å; A21-A23 VanDerWaalsContact C-N 3.27Å; A21-A23 PolarHBondContact O-N 3.46Å
22	A	41.4	Very low	47.4	Very low	90 Å²	90	100.3 Å²	100.3	74%	0.744	68%	0.675	S	S	*	*			trans	-65.9	95.3	164	0	0	0	0	0	106.7	A20 V24	A20-A22 VanDerWaalsContact C-N 3.29Å; A20-A22 PolarHBondContact O-N 3.01Å; A22-V24 VanDerWaalsContact C-N 3.26Å; A22-V24 PolarHBondContact O-N 3.35Å
23	A	41.4	Very low	49.8	Very low	93 Å²	93	98.5 Å²	98.5	77%	0.769	65%	0.65	S	S	*	*			trans	-59.4	101.2	159.8	0	0	0	0	0	105.8	A21 S25	A21-A23 VanDerWaalsContact C-N 3.27Å; A21-A23 PolarHBondContact O-N 3.46Å; A23-S25 PolarHBondContact O-N 3.04Å
24	V	35.1	Very low	52.4	Low	124 Å²	124	96.6 Å²	96.6	75%	0.752	64%	0.641	S	S	*	*			trans	-63.8	93.6	164.8	177.8	0	0	0	0	104.3	A22 T26	A22-V24 VanDerWaalsContact C-N 3.26Å; A22-V24 PolarHBondContact O-N 3.35Å; V24-T26 VanDerWaalsContact C-N 3.3Å; V24-T26 PolarHBondContact O-N 2.91Å
25	S	35.8	Very low	55.2	Low	103 Å²	103	89.3 Å²	89.3	72%	0.72	60%	0.602	S	S	*	*			trans	-62.5	105.5	163.3	56.2	0	0	0	0	104.8	A23 A27	A23-S25 PolarHBondContact O-N 3.04Å; S25-A27 PolarHBondContact O-N 3.29Å
26	T	40	Very low	57.8	Low	128 Å²	128	84.5 Å²	84.5	79%	0.785	58%	0.579	S	S	*	*			trans	-65.8	80.7	158.4	52.2	0	0	0	0	105	V24 S28	V24-T26 VanDerWaalsContact C-N 3.3Å; V24-T26 PolarHBondContact O-N 2.91Å; T26-S28 PolarHBondContact O-N 2.88Å
27	A	36.9	Very low	60.4	Low	89 Å²	89	82.9 Å²	82.9	74%	0.736	57%	0.568	S	S	*	*			trans	-62	85.9	157.7	0	0	0	0	0	104.7	S25 A29	S25-A27 PolarHBondContact O-N 3.29Å; A27-A29 PolarHBondContact O-N 3.41Å
28	S	41.9	Very low	62.9	Low	88 Å²	88	79.2 Å²	79.2	62%	0.615	56%	0.555	S	S	*	*			trans	-52.1	123.8	162.2	-176.3	0	0	0	0	104.9	T26 D30	T26-S28 PolarHBondContact O-N 2.88Å; S28-D30 PolarHBondContact O-N 3.04Å
29	A	46.8	Very low	65.5	Low	104 Å²	104	75.6 Å²	75.6	86%	0.86	53%	0.533	S	S	*	.	S	Bend	trans	-68.7	17.8	178.6	0	0	0	0	0	112.5	A27	A27-A29 PolarHBondContact O-N 3.41Å
30	D	67.6	Low	68.1	Low	39 Å²	39	71.1 Å²	71.1	21%	0.209	50%	0.496	C	S	.	.			trans	-83.4	121.5	175.1	-167.8	-10.9	0	0	0	108.4	S28 V32 K86	S28-D30 PolarHBondContact O-N 3.04Å; D30-V32 PolarHBondContact O-N 3.07Å; D30-V32 VanDerWaalsContact O-N 3.16Å; D30-V32 WeakPolarHBondContact OD1-CB 3.27Å; D30-V32 PolarHBondContact OD1-N 2.9Å; D30-K86 IonicContact OD2-NZ 3.61Å; D30-K86 PolarHBondContact OD2-NZ 2.83Å
31	D	85.9	Confident	70.7	Confident	54 Å²	54	71.5 Å²	71.5	29%	0.289	48%	0.483	S	S	.	.	S	Bend	trans	-71.9	0	177.7	-72	-46.4	0	0	0	112.2	G73 A74 K77	D31-G73 VanDerWaalsContact CB-C 3.47Å; D31-A74 HydrophobicContact CB-CB 4.22Å; D31-A74 WeakPolarHBondContact OD2-CA 3.49Å; D31-A74 WeakPolarHBondContact OD2-CB 3.33Å; D31-K77 WeakPolarHBondContact OD1-CD 3.19Å; D31-K77 WeakPolarHBondContact OD1-CE 3.37Å; D31-K77 IonicContact OD1-NZ 3.53Å; D31-K77 PolarHBondContact OD1-NZ 3.12Å; D31-K77 IonicContact OD2-NZ 2.76Å
32	V	95.1	Very high	73.3	Confident	4 Å²	4	73.8 Å²	73.8	2%	0.024	48%	0.475	C	S	.	.	S	Bend	trans	-100	117.3	167.9	-176	0	0	0	0	110.2	D30 A34 Y69 I84 K86	D30-V32 PolarHBondContact O-N 3.07Å; D30-V32 VanDerWaalsContact O-N 3.16Å; D30-V32 WeakPolarHBondContact OD1-CB 3.27Å; D30-V32 PolarHBondContact OD1-N 2.9Å; V32-A34 PolarHBondContact O-N 3.48Å; V32-Y69 HydrophobicContact CB-CD1 4.46Å; V32-Y69 HydrophobicContact CG1-CD1 3.73Å; V32-Y69 HydrophobicContact CG1-CE1 3.66Å; V32-Y69 HydrophobicContact CG2-CD1 3.86Å; V32-Y69 HydrophobicContact CG2-CE1 4.4Å; V32-Y69 WeakPolarHBondContact CG2-O 3.5Å; V32-I84 HydrophobicContact CG1-CG2 4.36Å; V32-I84 HydrophobicContact CG2-CG2 4.13Å; V32-K86 HydrophobicContact CB-CD 4.48Å; V32-K86 HydrophobicContact CG1-CB 3.92Å; V32-K86 HydrophobicContact CG1-CD 3.83Å; V32-K86 HydrophobicContact CG1-CG 3.81Å
33	L	96.1	Very high	75.9	Confident	65 Å²	65	72.5 Å²	72.5	34%	0.34	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	120.2	-179.5	-177.1	63.6	0	0	0	111.5	L35 E43 L83 I84 A85 K86	L33-L35 HydrophobicContact CD2-CD2 3.81Å; L33-L35 HydrophobicContact CG-CD2 4.11Å; L33-L35 PolarHBondContact O-N 3.21Å; L33-E43 HydrophobicContact CD2-CB 4.24Å; L33-E43 HydrophobicContact CD2-CG 3.9Å; L33-L83 HydrophobicContact CB-CD1 3.84Å; L33-L83 HydrophobicContact CD2-CD1 3.77Å; L33-L83 HydrophobicContact CD2-CD2 4.28Å; L33-L83 HydrophobicContact CG-CD1 4.47Å; L33-I84 PolarHBondContact N-O 3.05Å; L33-A85 HydrophobicContact CB-CB 4.22Å; L33-A85 CarbonylContact O-C 3.5Å; L33-A85 WeakPolarHBondContact O-CA 3.32Å; L33-A85 VanDerWaalsContact O-CB 3.3Å; L33-A85 WeakPolarHBondContact O-CB 3.22Å; L33-K86 PolarHBondContact O-N 3.32Å
34	A	97.3	Very high	78.6	Confident	63 Å²	63	68.1 Å²	68.1	52%	0.521	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	114.7	169.7	0	0	0	0	0	110.5	V32	V32-A34 PolarHBondContact O-N 3.48Å
35	L	98.1	Very high	81.5	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.016	39%	0.387	C	S	.	.			trans	-95.8	140.7	177.9	-65.8	175	0	0	0	110.7	L33 F40 E43 V44 V52 A85 K86 V87 H92	L33-L35 HydrophobicContact CD2-CD2 3.81Å; L33-L35 HydrophobicContact CG-CD2 4.11Å; L33-L35 PolarHBondContact O-N 3.21Å; L35-F40 HydrophobicContact CB-CD2 4.12Å; L35-F40 HydrophobicContact CD1-CD2 3.81Å; L35-F40 HydrophobicContact CD1-CE2 4.04Å; L35-F40 HydrophobicContact CD1-CG 4.47Å; L35-E43 HydrophobicContact CD2-CB 3.64Å; L35-E43 HydrophobicContact CD2-CG 3.82Å; L35-V44 HydrophobicContact CD1-CG2 3.5Å; L35-V44 VanDerWaalsContact CD1-CG2 3.5Å; L35-V52 HydrophobicContact CD1-CG1 4.41Å; L35-V52 HydrophobicContact CD1-CG2 4.3Å; L35-A85 HydrophobicContact CD1-CB 3.53Å; L35-A85 HydrophobicContact CG-CB 3.83Å; L35-K86 PolarHBondContact N-O 2.95Å; L35-V87 HydrophobicContact CB-CG2 3.75Å; L35-V87 HydrophobicContact CD1-CG2 4.47Å; L35-H92 PolarHBondContact O-CD2 3.43Å
36	T	97.5	Very high	84.3	Confident	40 Å²	40	62.6 Å²	62.6	25%	0.245	38%	0.375	C	S	.	.			trans	-118.1	170.1	179.1	73.8	0	0	0	0	110.5	S38 T39 F40 H92	T36-S38 PolarHBondContact O-N 3.33Å; T36-S38 VanDerWaalsContact O-N 3.11Å; T36-S38 PolarHBondContact OG1-N 3.02Å; T36-S38 PolarHBondContact OG1-OG 3.39Å; T36-S38 VanDerWaalsContact OG1-OG 3.09Å; T36-T39 PolarHBondContact N-OG1 2.83Å; T36-T39 PolarHBondContact O-N 2.99Å; T36-T39 PolarHBondContact OG1-N 3.11Å; T36-T39 PolarHBondContact OG1-OG1 3Å; T36-F40 WeakPolarHBondContact O-CB 3.44Å; T36-F40 PolarHBondContact O-N 3.1Å; T36-H92 WeakPolarHBondContact CA-NE2 3.44Å; T36-H92 WeakPolarHBondContact CB-NE2 3.41Å; T36-H92 WeakPolarHBondContact CG2-NE2 3.39Å
37	E	95.7	Very high	87	Confident	104 Å²	104	61.8 Å²	61.8	49%	0.486	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.2	173.1	-51.2	-166.1	149.1	0	0	112.8	H92 S94 V95	E37-H92 HydrophobicContact CG-CB 3.82Å; E37-S94 WeakPolarHBondContact OE1-CB 3.33Å; E37-S94 PolarHBondContact OE1-OG 3.19Å; E37-V95 HydrophobicContact CB-CG2 4.13Å; E37-V95 HydrophobicContact CG-CG2 3.97Å
38	S	96.3	Very high	89.8	Confident	77 Å²	77	60.4 Å²	60.4	54%	0.538	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.5	-177.3	76.3	0	0	0	0	114.6	T36 K42	T36-S38 PolarHBondContact O-N 3.33Å; T36-S38 VanDerWaalsContact O-N 3.11Å; T36-S38 PolarHBondContact OG1-N 3.02Å; T36-S38 PolarHBondContact OG1-OG 3.39Å; T36-S38 VanDerWaalsContact OG1-OG 3.09Å; S38-K42 WeakPolarHBondContact O-CD 3.4Å; S38-K42 WeakPolarHBondContact O-CE 3.46Å; S38-K42 PolarHBondContact O-NZ 3.07Å
39	T	97.6	Very high	92.5	Very high	41 Å²	41	56.6 Å²	56.6	25%	0.252	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-18.6	-174.6	56.9	0	0	0	0	113.7	T36 E41 K42 E43	T36-T39 PolarHBondContact N-OG1 2.83Å; T36-T39 PolarHBondContact O-N 2.99Å; T36-T39 PolarHBondContact OG1-N 3.11Å; T36-T39 PolarHBondContact OG1-OG1 3Å; T39-E41 PolarHBondContact O-N 3.38Å; T39-K42 WeakPolarHBondContact O-CB 3.31Å; T39-K42 PolarHBondContact O-N 3.26Å; T39-K42 VanDerWaalsContact O-N 3.13Å; T39-E43 WeakPolarHBondContact O-CG 3.45Å; T39-E43 PolarHBondContact O-N 3.42Å
40	F	98.4	Very high	95	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-51.7	-60.7	-175.7	-169.2	-78.6	0	0	0	112.7	L35 T36 K42 E43 V44 V52 F54 V87 V95 Y99 F110 L115	L35-F40 HydrophobicContact CB-CD2 4.12Å; L35-F40 HydrophobicContact CD1-CD2 3.81Å; L35-F40 HydrophobicContact CD1-CE2 4.04Å; L35-F40 HydrophobicContact CD1-CG 4.47Å; T36-F40 WeakPolarHBondContact O-CB 3.44Å; T36-F40 PolarHBondContact O-N 3.1Å; F40-K42 PolarHBondContact O-N 3.21Å; F40-E43 PolarHBondContact O-N 2.98Å; F40-E43 VanDerWaalsContact O-N 3.15Å; F40-V44 HydrophobicContact CD1-CB 4.08Å; F40-V44 HydrophobicContact CD1-CG2 4.31Å; F40-V44 HydrophobicContact CE1-CB 3.74Å; F40-V44 HydrophobicContact CE1-CG1 3.8Å; F40-V44 HydrophobicContact CE1-CG2 4.02Å; F40-V44 HydrophobicContact CE2-CG2 4.41Å; F40-V44 HydrophobicContact CZ-CB 4.25Å; F40-V44 HydrophobicContact CZ-CG1 4.14Å; F40-V44 HydrophobicContact CZ-CG2 4.09Å; F40-V44 WeakPolarHBondContact O-CB 3.46Å; F40-V44 PolarHBondContact O-N 2.94Å; F40-V52 HydrophobicContact CE2-CG1 4.12Å; F40-V52 HydrophobicContact CE2-CG2 4.49Å; F40-V52 HydrophobicContact CZ-CG2 4.5Å; F40-F54 AromaticContact CE2-CE1 3.97Å; F40-F54 HydrophobicContact CE2-CE1 3.97Å; F40-F54 AromaticContact CE2-CZ 3.82Å; F40-F54 HydrophobicContact CE2-CZ 3.82Å; F40-F54 HydrophobicContact CZ-CZ 4.04Å; F40-V87 HydrophobicContact CD2-CG2 3.76Å; F40-V87 HydrophobicContact CE2-CG2 3.83Å; F40-V95 HydrophobicContact CB-CG1 4.36Å; F40-V95 HydrophobicContact CD2-CG1 3.46Å; F40-V95 VanDerWaalsContact CD2-CG1 3.46Å; F40-V95 HydrophobicContact CE2-CG1 3.81Å; F40-V95 HydrophobicContact CG-CG1 3.88Å; F40-Y99 AromaticContact CD1-CE2 3.76Å; F40-Y99 HydrophobicContact CD1-CE2 3.76Å; F40-Y99 HydrophobicContact CE1-CD2 4.18Å; F40-Y99 HydrophobicContact CE1-CE1 4.46Å; F40-Y99 AromaticContact CE1-CE2 3.23Å; F40-Y99 HydrophobicContact CE1-CE2 3.23Å; F40-Y99 AromaticContact CE1-CZ 3.4Å; F40-Y99 VanDerWaalsContact CE1-CZ 3.4Å; F40-Y99 VanDerWaalsContact CE1-OH 3.24Å; F40-Y99 WeakPolarHBondContact CE1-OH 3.25Å; F40-Y99 HydrophobicContact CE2-CD2 4.4Å; F40-Y99 HydrophobicContact CE2-CE2 4.11Å; F40-Y99 HydrophobicContact CG-CE2 4.42Å; F40-Y99 AromaticContact CZ-CD2 3.92Å; F40-Y99 HydrophobicContact CZ-CD2 3.92Å; F40-Y99 AromaticContact CZ-CE2 3.42Å; F40-Y99 HydrophobicContact CZ-CE2 3.42Å; F40-Y99 VanDerWaalsContact CZ-CE2 3.42Å; F40-Y99 AromaticContact CZ-CZ 3.91Å; F40-F110 HydrophobicContact CE1-CE1 4.29Å; F40-F110 HydrophobicContact CE1-CZ 4.27Å; F40-F110 HydrophobicContact CZ-CE1 4.15Å; F40-F110 HydrophobicContact CZ-CE2 4.03Å; F40-F110 AromaticContact CZ-CZ 3.68Å; F40-F110 HydrophobicContact CZ-CZ 3.68Å; F40-L115 HydrophobicContact CE1-CD2 4.48Å
41	E	97.2	Very high	96.5	Very high	93 Å²	93	49.8 Å²	49.8	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-74.3	-12.1	-176.5	-64.7	179.9	-156.4	0	0	113.4	T39 E43 Q46 K98 L115	T39-E41 PolarHBondContact O-N 3.38Å; E41-E43 VanDerWaalsContact C-N 3.32Å; E41-Q46 PolarHBondContact O-NE2 2.99Å; E41-K98 IonicContact OE1-NZ 2.88Å; E41-K98 PolarHBondContact OE1-NZ 3.2Å; E41-L115 HydrophobicContact CG-CD1 4.02Å; E41-L115 HydrophobicContact CG-CD2 4.3Å
42	K	96.8	Very high	97.1	Very high	146 Å²	146	47.2 Å²	47.2	64%	0.635	25%	0.251	S	S	*	.	H	α-helix	trans	-79	-21.1	172.8	-63.8	178.4	-176.9	151.7	0	112.2	S38 T39 F40 Q46	S38-K42 WeakPolarHBondContact O-CD 3.4Å; S38-K42 WeakPolarHBondContact O-CE 3.46Å; S38-K42 PolarHBondContact O-NZ 3.07Å; T39-K42 WeakPolarHBondContact O-CB 3.31Å; T39-K42 PolarHBondContact O-N 3.26Å; T39-K42 VanDerWaalsContact O-N 3.13Å; F40-K42 PolarHBondContact O-N 3.21Å; K42-Q46 WeakPolarHBondContact O-CG 3.27Å
43	E	96.8	Very high	97.2	Very high	63 Å²	63	47.3 Å²	47.3	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-113	-35.1	-174.9	-63.2	-66.1	167.8	0	0	112.1	L33 L35 T39 F40 E41 R48 L83	L33-E43 HydrophobicContact CD2-CB 4.24Å; L33-E43 HydrophobicContact CD2-CG 3.9Å; L35-E43 HydrophobicContact CD2-CB 3.64Å; L35-E43 HydrophobicContact CD2-CG 3.82Å; T39-E43 WeakPolarHBondContact O-CG 3.45Å; T39-E43 PolarHBondContact O-N 3.42Å; F40-E43 PolarHBondContact O-N 2.98Å; F40-E43 VanDerWaalsContact O-N 3.15Å; E41-E43 VanDerWaalsContact C-N 3.32Å; E43-R48 IonicContact OE2-CZ 3.19Å; E43-R48 IonicContact OE2-NH2 2.9Å; E43-R48 PolarHBondContact OE2-NH2 3.17Å; E43-L83 HydrophobicContact CB-CD2 3.93Å
44	V	98.1	Very high	97.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-99.8	142.8	179.9	-176.9	0	0	0	0	109.7	L35 F40 Q46 A50 V52 L83 F110 L115	L35-V44 HydrophobicContact CD1-CG2 3.5Å; L35-V44 VanDerWaalsContact CD1-CG2 3.5Å; F40-V44 HydrophobicContact CD1-CB 4.08Å; F40-V44 HydrophobicContact CD1-CG2 4.31Å; F40-V44 HydrophobicContact CE1-CB 3.74Å; F40-V44 HydrophobicContact CE1-CG1 3.8Å; F40-V44 HydrophobicContact CE1-CG2 4.02Å; F40-V44 HydrophobicContact CE2-CG2 4.41Å; F40-V44 HydrophobicContact CZ-CB 4.25Å; F40-V44 HydrophobicContact CZ-CG1 4.14Å; F40-V44 HydrophobicContact CZ-CG2 4.09Å; F40-V44 WeakPolarHBondContact O-CB 3.46Å; F40-V44 PolarHBondContact O-N 2.94Å; V44-Q46 VanDerWaalsContact C-N 3.26Å; V44-Q46 PolarHBondContact O-N 3.34Å; V44-A50 HydrophobicContact CG1-CB 4.18Å; V44-A50 HydrophobicContact CG2-CB 4.06Å; V44-V52 HydrophobicContact CG2-CG2 4.13Å; V44-L83 HydrophobicContact CG2-CD2 4.3Å; V44-F110 HydrophobicContact CG1-CB 3.54Å; V44-F110 HydrophobicContact CG1-CD1 3.58Å; V44-F110 HydrophobicContact CG1-CD2 3.88Å; V44-F110 HydrophobicContact CG1-CE1 4.22Å; V44-F110 HydrophobicContact CG1-CE2 4.49Å; V44-F110 HydrophobicContact CG1-CG 3.37Å; V44-L115 HydrophobicContact CB-CD2 4.43Å; V44-L115 HydrophobicContact CG1-CD2 4.17Å; V44-L115 WeakPolarHBondContact O-CD2 3.41Å
45	G	96.1	Very high	97.4	Very high	12 Å²	12	43.6 Å²	43.6	12%	0.124	22%	0.219	C	C	.	.	S	Bend	trans	76	12.5	-177.6	0	0	0	0	0	114.4	G113 S114	G45-G113 CarbonylContact O-C 3.41Å; G45-G113 VanDerWaalsContact O-CA 3.29Å; G45-G113 WeakPolarHBondContact O-CA 3.43Å; G45-S114 VanDerWaalsContact CA-O 3.29Å; G45-S114 WeakPolarHBondContact CA-O 3.46Å
46	Q	94.9	Very high	97.4	Very high	99 Å²	99	43.4 Å²	43.4	46%	0.463	22%	0.218	S	C	.	.	S	Bend	trans	-99.5	-126.1	179.3	-57.3	-55.4	-40.5	0	0	111.5	E41 K42 V44 G113	E41-Q46 PolarHBondContact O-NE2 2.99Å; K42-Q46 WeakPolarHBondContact O-CG 3.27Å; V44-Q46 VanDerWaalsContact C-N 3.26Å; V44-Q46 PolarHBondContact O-N 3.34Å; Q46-G113 WeakPolarHBondContact O-CA 3.42Å; Q46-G113 PolarHBondContact O-N 3.44Å
47	D	95.7	Very high	97.3	Very high	112 Å²	112	44.5 Å²	44.5	60%	0.599	23%	0.226	S	C	*	.	S	Bend	trans	-89.6	-4.1	-170.4	68.8	-32.3	0	0	0	114.7	K112	D47-K112 VanDerWaalsContact O-CD 3.23Å; D47-K112 WeakPolarHBondContact O-CD 3.48Å; D47-K112 WeakPolarHBondContact O-CE 3.43Å; D47-K112 PolarHBondContact O-NZ 3.38Å
48	R	96.8	Very high	97.3	Very high	60 Å²	60	47.3 Å²	47.3	23%	0.226	23%	0.232	C	C	.	.	S	Bend	trans	-132.2	151.3	178.6	56.5	-169.4	176.3	167.6	-5	111.3	E43 S81 L83	E43-R48 IonicContact OE2-CZ 3.19Å; E43-R48 IonicContact OE2-NH2 2.9Å; E43-R48 PolarHBondContact OE2-NH2 3.17Å; R48-S81 WeakPolarHBondContact CB-O 3.5Å; R48-L83 HydrophobicContact CG-CB 4.08Å
49	A	98.2	Very high	97.3	Very high	7 Å²	7	44.2 Å²	44.2	6%	0.058	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	152.7	169.8	0	0	0	0	0	109.4	S81 V82 L83 W109 F110 K112	A49-S81 PolarHBondContact N-O 3.26Å; A49-V82 CarbonylContact O-C 3.6Å; A49-V82 WeakPolarHBondContact O-CA 3.38Å; A49-L83 PolarHBondContact O-N 2.77Å; A49-W109 HydrophobicContact CB-CH2 3.34Å; A49-W109 HydrophobicContact CB-CZ2 3.28Å; A49-W109 HydrophobicContact CB-CZ3 4.24Å; A49-F110 CarbonylContact C-O 3.55Å; A49-F110 VanDerWaalsContact CA-O 3.28Å; A49-F110 WeakPolarHBondContact CA-O 3.28Å; A49-F110 WeakPolarHBondContact CB-O 3.41Å; A49-K112 HydrophobicContact CB-CB 4.36Å
50	A	98.5	Very high	97.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134	-176.2	0	0	0	0	0	112.5	V44 V52 L83 W109 F110	V44-A50 HydrophobicContact CG1-CB 4.18Å; V44-A50 HydrophobicContact CG2-CB 4.06Å; A50-V52 HydrophobicContact CB-CG2 4.19Å; A50-L83 CarbonylContact C-O 3.55Å; A50-L83 VanDerWaalsContact CA-O 3.23Å; A50-L83 WeakPolarHBondContact CA-O 3.32Å; A50-L83 HydrophobicContact CB-CB 3.92Å; A50-L83 HydrophobicContact CB-CD2 4.12Å; A50-L83 HydrophobicContact CB-CG 4.19Å; A50-W109 CarbonylContact O-C 3.58Å; A50-W109 WeakPolarHBondContact O-CA 3.39Å; A50-F110 HydrophobicContact CB-CB 4.27Å; A50-F110 PolarHBondContact N-O 3.39Å; A50-F110 PolarHBondContact O-N 3.28Å
51	L	98.6	Very high	97.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.4	161.4	-166.7	76.5	0	0	0	107.8	Y69 L72 L83 I84 A85 I107 W109 L129 Y132 V133	L51-Y69 HydrophobicContact CD2-CE2 3.89Å; L51-Y69 HydrophobicContact CG-CE2 4.48Å; L51-Y69 PolarHBondContact O-OH 2.65Å; L51-L72 HydrophobicContact CD2-CD2 3.64Å; L51-L83 PolarHBondContact N-O 3.26Å; L51-I84 HydrophobicContact CB-CD1 3.96Å; L51-A85 PolarHBondContact O-N 3.44Å; L51-I107 HydrophobicContact CD1-CG2 3.69Å; L51-I107 HydrophobicContact CD2-CG2 4.14Å; L51-I107 HydrophobicContact CG-CG2 3.82Å; L51-W109 HydrophobicContact CB-CE3 4Å; L51-W109 HydrophobicContact CB-CZ3 4.22Å; L51-W109 HydrophobicContact CD1-CB 4.29Å; L51-W109 HydrophobicContact CD1-CE3 4Å; L51-L129 HydrophobicContact CD2-CD2 4.18Å; L51-Y132 HydrophobicContact CD1-CD1 4.24Å; L51-Y132 HydrophobicContact CD1-CE1 4.06Å; L51-V133 HydrophobicContact CB-CG2 4.19Å; L51-V133 HydrophobicContact CD1-CG2 4.39Å; L51-V133 HydrophobicContact CD2-CG2 3.76Å; L51-V133 HydrophobicContact CG-CG2 4.34Å
52	V	98.7	Very high	97.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.6	-176.5	-172.1	0	0	0	0	110.7	L35 F40 V44 A50 F54 Y69 A85 V87 I107 Q108 F110	L35-V52 HydrophobicContact CD1-CG1 4.41Å; L35-V52 HydrophobicContact CD1-CG2 4.3Å; F40-V52 HydrophobicContact CE2-CG1 4.12Å; F40-V52 HydrophobicContact CE2-CG2 4.49Å; F40-V52 HydrophobicContact CZ-CG2 4.5Å; V44-V52 HydrophobicContact CG2-CG2 4.13Å; A50-V52 HydrophobicContact CB-CG2 4.19Å; V52-F54 HydrophobicContact CB-CE2 4.09Å; V52-F54 HydrophobicContact CB-CZ 4.4Å; V52-F54 HydrophobicContact CG1-CD2 4.29Å; V52-F54 HydrophobicContact CG1-CE1 4.28Å; V52-F54 HydrophobicContact CG1-CE2 3.88Å; V52-F54 HydrophobicContact CG1-CZ 3.89Å; V52-Y69 PolarHBondContact N-OH 3.46Å; V52-A85 CarbonylContact C-O 3.51Å; V52-A85 VanDerWaalsContact CA-O 3.29Å; V52-A85 WeakPolarHBondContact CA-O 3.43Å; V52-A85 HydrophobicContact CG2-CB 4.36Å; V52-V87 HydrophobicContact CG1-CG2 3.9Å; V52-I107 WeakPolarHBondContact O-CA 3.44Å; V52-Q108 PolarHBondContact N-O 2.9Å; V52-Q108 PolarHBondContact O-N 3.06Å; V52-F110 HydrophobicContact CB-CD2 4.32Å; V52-F110 HydrophobicContact CB-CE2 3.96Å; V52-F110 HydrophobicContact CG2-CD2 3.7Å; V52-F110 HydrophobicContact CG2-CE2 3.72Å
53	E	98.6	Very high	96.9	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.028	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.8	167.5	-175.1	-167	-175.4	0	0	109.9	L65 Y69 A85 K86 V87 P105	E53-L65 HydrophobicContact CG-CD2 4.1Å; E53-L65 WeakPolarHBondContact OE1-CD2 3.46Å; E53-Y69 HydrophobicContact CB-CD1 4.23Å; E53-Y69 HydrophobicContact CB-CD2 4.41Å; E53-Y69 HydrophobicContact CB-CE1 3.8Å; E53-Y69 HydrophobicContact CB-CE2 3.99Å; E53-Y69 PolarHBondContact N-OH 3.22Å; E53-Y69 VanDerWaalsContact N-OH 3.15Å; E53-A85 PolarHBondContact N-O 2.92Å; E53-K86 HydrophobicContact CB-CB 4.24Å; E53-K86 CarbonylContact O-C 3.55Å; E53-K86 WeakPolarHBondContact O-CA 3.33Å; E53-V87 PolarHBondContact O-N 3.34Å; E53-P105 HydrophobicContact CG-CB 4.09Å
54	F	98.7	Very high	96.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.3	167.8	-62.7	-86.3	0	0	0	109	F40 V52 V87 V95 C96 Y99 V101 P105 T106 Q108 F110	F40-F54 AromaticContact CE2-CE1 3.97Å; F40-F54 HydrophobicContact CE2-CE1 3.97Å; F40-F54 AromaticContact CE2-CZ 3.82Å; F40-F54 HydrophobicContact CE2-CZ 3.82Å; F40-F54 HydrophobicContact CZ-CZ 4.04Å; V52-F54 HydrophobicContact CB-CE2 4.09Å; V52-F54 HydrophobicContact CB-CZ 4.4Å; V52-F54 HydrophobicContact CG1-CD2 4.29Å; V52-F54 HydrophobicContact CG1-CE1 4.28Å; V52-F54 HydrophobicContact CG1-CE2 3.88Å; V52-F54 HydrophobicContact CG1-CZ 3.89Å; F54-V87 HydrophobicContact CD1-CB 3.76Å; F54-V87 HydrophobicContact CD1-CG1 4.16Å; F54-V87 HydrophobicContact CD1-CG2 4.12Å; F54-V87 HydrophobicContact CE1-CB 4.05Å; F54-V87 HydrophobicContact CE1-CG1 4.39Å; F54-V87 HydrophobicContact CE1-CG2 3.9Å; F54-V95 HydrophobicContact CE1-CG1 4.1Å; F54-C96 HydrophobicContact CD1-CB 4.49Å; F54-Y99 HydrophobicContact CE1-CD2 4.26Å; F54-Y99 AromaticContact CZ-CD2 3.98Å; F54-Y99 HydrophobicContact CZ-CD2 3.98Å; F54-Y99 HydrophobicContact CZ-CG 4.24Å; F54-V101 HydrophobicContact CB-CB 4.45Å; F54-V101 HydrophobicContact CB-CG1 3.94Å; F54-V101 HydrophobicContact CB-CG2 3.68Å; F54-V101 HydrophobicContact CD1-CG2 3.83Å; F54-V101 HydrophobicContact CD2-CG2 3.86Å; F54-V101 HydrophobicContact CE1-CG2 4.4Å; F54-V101 HydrophobicContact CE2-CG2 4.43Å; F54-V101 HydrophobicContact CG-CG2 3.51Å; F54-P105 WeakPolarHBondContact O-CA 3.45Å; F54-T106 PolarHBondContact N-O 3.27Å; F54-T106 PolarHBondContact O-N 3.49Å; F54-Q108 HydrophobicContact CE2-CB 4.09Å; F54-Q108 HydrophobicContact CE2-CG 4.25Å; F54-F110 HydrophobicContact CE2-CE2 4.28Å; F54-F110 HydrophobicContact CE2-CZ 4.45Å; F54-F110 HydrophobicContact CZ-CE2 4.38Å; F54-F110 HydrophobicContact CZ-CZ 4.28Å
55	Y	98.3	Very high	96.5	Very high	50 Å²	50	51 Å²	51	20%	0.196	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	171.3	-170	80.9	-79.4	0	0	0	112.4	P57 C62 K86 V87 D88 C89	Y55-P57 HydrophobicContact CE2-CG 4.35Å; Y55-C62 VanDerWaalsContact CB-SG 3.57Å; Y55-C62 HydrophobicContact CD2-CB 4.48Å; Y55-K86 HydrophobicContact CD1-CB 4.14Å; Y55-K86 HydrophobicContact CE1-CB 4.01Å; Y55-K86 HydrophobicContact CE1-CD 4.06Å; Y55-K86 HydrophobicContact CE1-CG 3.95Å; Y55-V87 WeakPolarHBondContact CD1-O 3.46Å; Y55-V87 VanDerWaalsContact CE1-C 3.49Å; Y55-V87 PolarHBondContact N-O 3Å; Y55-D88 HydrophobicContact CE1-CB 4.05Å; Y55-C89 WeakPolarHBondContact O-CB 3.3Å; Y55-C89 PolarHBondContact O-N 2.96Å
56	A	97.6	Very high	96.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.			trans	-132.8	138	167.5	0	0	0	0	0	109.6	W58 C59 Y104	A56-W58 HydrophobicContact CB-CD2 4.31Å; A56-W58 HydrophobicContact CB-CZ2 3.96Å; A56-W58 PolarHBondContact O-N 3.07Å; A56-W58 VanDerWaalsContact O-N 3.15Å; A56-C59 HydrophobicContact CB-CB 4.46Å; A56-C59 WeakPolarHBondContact O-CB 3.26Å; A56-C59 PolarHBondContact O-N 3.4Å; A56-Y104 HydrophobicContact CB-CD2 3.58Å; A56-Y104 HydrophobicContact CB-CE2 3.69Å; A56-Y104 HydrophobicContact CB-CG 4.08Å
57	P	95.7	Very high	96.2	Very high	62 Å²	62	50.8 Å²	50.8	40%	0.403	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.9	-174.4	-28.4	35.6	0	0	0	114.8	Y55 C59 K63 D88 D90	Y55-P57 HydrophobicContact CE2-CG 4.35Å; P57-C59 VanDerWaalsContact C-N 3.35Å; P57-K63 WeakPolarHBondContact O-CE 3.47Å; P57-D88 WeakPolarHBondContact CD-OD1 3.47Å; P57-D88 WeakPolarHBondContact CD-OD2 3.38Å; P57-D88 WeakPolarHBondContact CG-OD2 3.42Å; P57-D90 WeakPolarHBondContact CD-OD2 3.39Å
58	W	95.4	Very high	96	Very high	164 Å²	164	48 Å²	48	62%	0.621	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.5	179.7	53.2	-96.4	0	0	0	113.6	A56 G60 D90 Y104	A56-W58 HydrophobicContact CB-CD2 4.31Å; A56-W58 HydrophobicContact CB-CZ2 3.96Å; A56-W58 PolarHBondContact O-N 3.07Å; A56-W58 VanDerWaalsContact O-N 3.15Å; W58-G60 PolarHBondContact O-N 2.81Å; W58-D90 PolarHBondContact NE1-OD1 3.06Å; W58-D90 PolarHBondContact NE1-OD2 3.48Å; W58-Y104 HydrophobicContact CH2-CD2 4.21Å; W58-Y104 HydrophobicContact CH2-CE2 4.42Å; W58-Y104 HydrophobicContact CZ2-CD2 4.19Å; W58-Y104 HydrophobicContact CZ2-CE2 4.05Å
59	C	96.6	Very high	95.9	Very high	11 Å²	11	45.2 Å²	45.2	7%	0.074	23%	0.232	C	C	.	.			trans	-76.2	120	-174.6	177.5	0	0	0	0	112.5	A56 P57 H61 C62 K63	A56-C59 HydrophobicContact CB-CB 4.46Å; A56-C59 WeakPolarHBondContact O-CB 3.26Å; A56-C59 PolarHBondContact O-N 3.4Å; P57-C59 VanDerWaalsContact C-N 3.35Å; C59-H61 VanDerWaalsContact C-N 3.32Å; C59-H61 PolarHBondContact O-N 3.17Å; C59-C62 HydrophobicContact CB-CB 3.87Å; C59-C62 VanDerWaalsContact CB-SG 3.52Å; C59-C62 WeakPolarHBondContact O-CB 3.2Å; C59-C62 PolarHBondContact O-N 3.3Å; C59-C62 VanDerWaalsContact O-N 3.16Å; C59-C62 PolarHBondContact SG-SG 3.08Å; C59-K63 WeakPolarHBondContact O-CG 3.28Å; C59-K63 PolarHBondContact O-N 2.88Å
60	G	95	Very high	95.7	Very high	52 Å²	52	49.2 Å²	49.2	54%	0.536	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-36.8	177.8	0	0	0	0	0	114	W58 K63 K64	W58-G60 PolarHBondContact O-N 2.81Å; G60-K63 PolarHBondContact O-N 3.07Å; G60-K64 PolarHBondContact O-N 3.38Å; G60-K64 VanDerWaalsContact O-N 3.14Å
61	H	96.1	Very high	95.3	Very high	125 Å²	125	51.8 Å²	51.8	58%	0.579	26%	0.26	S	S	*	.	H	α-helix	trans	-68.5	-34.4	176	-63.8	150.6	0	0	0	112.7	C59 K64 L65	C59-H61 VanDerWaalsContact C-N 3.32Å; C59-H61 PolarHBondContact O-N 3.17Å; H61-K64 PolarHBondContact O-N 3.44Å; H61-L65 PolarHBondContact O-N 3.37Å; H61-L65 VanDerWaalsContact O-N 3.08Å
62	C	96.8	Very high	95.1	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.034	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-44.1	174.3	-63.1	0	0	0	0	110.9	Y55 C59 K64 L65 A66 Y104 P105	Y55-C62 VanDerWaalsContact CB-SG 3.57Å; Y55-C62 HydrophobicContact CD2-CB 4.48Å; C59-C62 HydrophobicContact CB-CB 3.87Å; C59-C62 VanDerWaalsContact CB-SG 3.52Å; C59-C62 WeakPolarHBondContact O-CB 3.2Å; C59-C62 PolarHBondContact O-N 3.3Å; C59-C62 VanDerWaalsContact O-N 3.16Å; C59-C62 PolarHBondContact SG-SG 3.08Å; C62-K64 PolarHBondContact O-N 3.49Å; C62-L65 PolarHBondContact O-N 2.98Å; C62-A66 PolarHBondContact O-N 3.36Å; C62-Y104 VanDerWaalsContact SG-CB 3.59Å; C62-P105 VanDerWaalsContact SG-CD 3.59Å
63	K	93.3	Very high	94.9	Very high	134 Å²	134	51.9 Å²	51.9	58%	0.583	26%	0.261	S	S	*	.	H	α-helix	trans	-58.1	-34.5	175.1	-67.8	177.4	-175.8	-179.8	0	112.6	P57 C59 G60 P67	P57-K63 WeakPolarHBondContact O-CE 3.47Å; C59-K63 WeakPolarHBondContact O-CG 3.28Å; C59-K63 PolarHBondContact O-N 2.88Å; G60-K63 PolarHBondContact O-N 3.07Å; K63-P67 WeakPolarHBondContact O-CD 3.05Å
64	K	92.3	Very high	94.6	Very high	169 Å²	169	53.5 Å²	53.5	74%	0.735	28%	0.276	S	S	*	.	H	α-helix	trans	-73.1	-35	175.2	-172.8	176	179	180	0	112.9	G60 H61 C62	G60-K64 PolarHBondContact O-N 3.38Å; G60-K64 VanDerWaalsContact O-N 3.14Å; H61-K64 PolarHBondContact O-N 3.44Å; C62-K64 PolarHBondContact O-N 3.49Å
65	L	95.3	Very high	94.3	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-77	-34.1	178.7	175.2	54.6	0	0	0	112.7	E53 H61 C62 E68 Y69 P105 I107 R124 L129	E53-L65 HydrophobicContact CG-CD2 4.1Å; E53-L65 WeakPolarHBondContact OE1-CD2 3.46Å; H61-L65 PolarHBondContact O-N 3.37Å; H61-L65 VanDerWaalsContact O-N 3.08Å; C62-L65 PolarHBondContact O-N 2.98Å; L65-E68 HydrophobicContact CD1-CB 4.14Å; L65-E68 WeakPolarHBondContact O-CA 3.3Å; L65-E68 WeakPolarHBondContact O-CB 3.44Å; L65-E68 PolarHBondContact O-N 3.47Å; L65-Y69 HydrophobicContact CD1-CD2 4.3Å; L65-Y69 HydrophobicContact CG-CD2 4.48Å; L65-Y69 PolarHBondContact O-N 2.91Å; L65-P105 HydrophobicContact CB-CG 4.45Å; L65-P105 HydrophobicContact CD2-CB 3.77Å; L65-P105 HydrophobicContact CD2-CG 3.65Å; L65-I107 HydrophobicContact CD2-CD1 3.73Å; L65-I107 HydrophobicContact CD2-CG1 4.22Å; L65-R124 HydrophobicContact CD1-CB 3.91Å; L65-L129 HydrophobicContact CD1-CD1 4.11Å
66	A	93.2	Very high	94.1	Very high	33 Å²	33	52.1 Å²	52.1	27%	0.273	27%	0.273	S	S	.	.	H	α-helix	trans	-43	-54	-176.5	0	0	0	0	0	114.5	C62 E68 Y69 E70	C62-A66 PolarHBondContact O-N 3.36Å; A66-E68 VanDerWaalsContact C-N 3.33Å; A66-E68 PolarHBondContact O-N 3.19Å; A66-Y69 PolarHBondContact O-N 2.9Å; A66-E70 WeakPolarHBondContact O-CB 3.45Å; A66-E70 VanDerWaalsContact O-CG 3.29Å; A66-E70 WeakPolarHBondContact O-CG 3.45Å; A66-E70 PolarHBondContact O-N 2.99Å
67	P	90.4	Very high	93.8	Very high	72 Å²	72	58.9 Å²	58.9	47%	0.468	30%	0.302	S	S	.	.	H	α-helix	trans	-64.7	-33.6	179.3	25.3	-35.3	0	0	0	113.7	K63 K71	K63-P67 WeakPolarHBondContact O-CD 3.05Å; P67-K71 VanDerWaalsContact O-CB 3.31Å; P67-K71 WeakPolarHBondContact O-CB 3.41Å; P67-K71 PolarHBondContact O-N 3.09Å
68	E	92.1	Very high	93.5	Very high	54 Å²	54	65.1 Å²	65.1	25%	0.252	32%	0.323	S	S	.	.	H	α-helix	trans	-70.1	-38.3	176.3	-65.1	-62.8	135.7	0	0	111.3	L65 A66 K71 L72 A126	L65-E68 HydrophobicContact CD1-CB 4.14Å; L65-E68 WeakPolarHBondContact O-CA 3.3Å; L65-E68 WeakPolarHBondContact O-CB 3.44Å; L65-E68 PolarHBondContact O-N 3.47Å; A66-E68 VanDerWaalsContact C-N 3.33Å; A66-E68 PolarHBondContact O-N 3.19Å; E68-K71 PolarHBondContact O-N 3.4Å; E68-L72 PolarHBondContact O-N 3.23Å; E68-A126 WeakPolarHBondContact O-CB 3.3Å; E68-A126 WeakPolarHBondContact OE2-CB 3.41Å; E68-A126 PolarHBondContact OE2-N 2.99Å
69	Y	95.4	Very high	93.4	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-74.2	-36.4	179.6	-150.9	-100	0	0	0	112.1	V32 L51 V52 E53 L65 A66 L72 G73 I84 A85 L129	V32-Y69 HydrophobicContact CB-CD1 4.46Å; V32-Y69 HydrophobicContact CG1-CD1 3.73Å; V32-Y69 HydrophobicContact CG1-CE1 3.66Å; V32-Y69 HydrophobicContact CG2-CD1 3.86Å; V32-Y69 HydrophobicContact CG2-CE1 4.4Å; V32-Y69 WeakPolarHBondContact CG2-O 3.5Å; L51-Y69 HydrophobicContact CD2-CE2 3.89Å; L51-Y69 HydrophobicContact CG-CE2 4.48Å; L51-Y69 PolarHBondContact O-OH 2.65Å; V52-Y69 PolarHBondContact N-OH 3.46Å; E53-Y69 HydrophobicContact CB-CD1 4.23Å; E53-Y69 HydrophobicContact CB-CD2 4.41Å; E53-Y69 HydrophobicContact CB-CE1 3.8Å; E53-Y69 HydrophobicContact CB-CE2 3.99Å; E53-Y69 PolarHBondContact N-OH 3.22Å; E53-Y69 VanDerWaalsContact N-OH 3.15Å; L65-Y69 HydrophobicContact CD1-CD2 4.3Å; L65-Y69 HydrophobicContact CG-CD2 4.48Å; L65-Y69 PolarHBondContact O-N 2.91Å; A66-Y69 PolarHBondContact O-N 2.9Å; Y69-L72 HydrophobicContact CD2-CD2 4.28Å; Y69-L72 HydrophobicContact CE2-CD2 4.16Å; Y69-L72 WeakPolarHBondContact O-CB 3.42Å; Y69-L72 PolarHBondContact O-N 2.93Å; Y69-G73 PolarHBondContact O-N 3.45Å; Y69-I84 HydrophobicContact CD1-CG2 4.08Å; Y69-I84 HydrophobicContact CE1-CG2 3.52Å; Y69-A85 VanDerWaalsContact CE1-O 3.22Å; Y69-A85 WeakPolarHBondContact CE1-O 3.02Å; Y69-A85 PolarHBondContact OH-O 3.43Å; Y69-A85 VanDerWaalsContact OH-O 3.05Å; Y69-L129 HydrophobicContact CD2-CD1 3.96Å; Y69-L129 HydrophobicContact CE2-CD1 4.43Å
70	E	92.8	Very high	93.2	Very high	91 Å²	91	66.8 Å²	66.8	43%	0.425	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-45.8	169.8	-74.1	170.4	-170.3	0	0	111.3	A66 L72 G73 A74	A66-E70 WeakPolarHBondContact O-CB 3.45Å; A66-E70 VanDerWaalsContact O-CG 3.29Å; A66-E70 WeakPolarHBondContact O-CG 3.45Å; A66-E70 PolarHBondContact O-N 2.99Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.5Å; E70-G73 PolarHBondContact O-N 2.95Å; E70-A74 WeakPolarHBondContact O-CB 3.45Å; E70-A74 PolarHBondContact O-N 3.41Å
71	K	90.7	Very high	93.3	Very high	54 Å²	54	67.3 Å²	67.3	24%	0.235	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-40.1	174.6	-174.5	-180	179.1	-149.6	0	111.8	P67 E68 S75 A126 E127 I143	P67-K71 VanDerWaalsContact O-CB 3.31Å; P67-K71 WeakPolarHBondContact O-CB 3.41Å; P67-K71 PolarHBondContact O-N 3.09Å; E68-K71 PolarHBondContact O-N 3.4Å; K71-S75 WeakPolarHBondContact O-CB 3.5Å; K71-S75 PolarHBondContact O-N 3.36Å; K71-S75 VanDerWaalsContact O-N 3.14Å; K71-S75 PolarHBondContact O-OG 3.04Å; K71-A126 HydrophobicContact CB-CB 4.09Å; K71-A126 HydrophobicContact CD-CB 3.75Å; K71-A126 HydrophobicContact CG-CB 3.97Å; K71-E127 IonicContact NZ-OE1 3.29Å; K71-E127 PolarHBondContact NZ-OE1 3.09Å; K71-I143 HydrophobicContact CD-CG2 4.03Å; K71-I143 HydrophobicContact CG-CG2 3.94Å
72	L	94.4	Very high	93.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-51.6	172.2	-179.5	73.9	0	0	0	111.5	L51 E68 Y69 E70 A74 S75 F76 I84 L129 A130 I143	L51-L72 HydrophobicContact CD2-CD2 3.64Å; E68-L72 PolarHBondContact O-N 3.23Å; Y69-L72 HydrophobicContact CD2-CD2 4.28Å; Y69-L72 HydrophobicContact CE2-CD2 4.16Å; Y69-L72 WeakPolarHBondContact O-CB 3.42Å; Y69-L72 PolarHBondContact O-N 2.93Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.5Å; L72-A74 VanDerWaalsContact C-N 3.34Å; L72-A74 PolarHBondContact O-N 2.63Å; L72-S75 WeakPolarHBondContact O-CB 3.38Å; L72-S75 PolarHBondContact O-N 3.19Å; L72-S75 VanDerWaalsContact O-N 3.08Å; L72-F76 HydrophobicContact CD1-CD2 3.65Å; L72-F76 HydrophobicContact CD1-CE2 3.52Å; L72-F76 HydrophobicContact CG-CD2 4.17Å; L72-F76 HydrophobicContact CG-CE2 4.48Å; L72-F76 WeakPolarHBondContact O-CD2 3.38Å; L72-F76 PolarHBondContact O-N 3.34Å; L72-I84 HydrophobicContact CD2-CD1 4.04Å; L72-I84 HydrophobicContact CD2-CG2 4.14Å; L72-I84 HydrophobicContact CG-CD1 4.23Å; L72-I84 HydrophobicContact CG-CG1 4.41Å; L72-I84 HydrophobicContact CG-CG2 4.44Å; L72-L129 HydrophobicContact CD1-CB 4.04Å; L72-L129 HydrophobicContact CD2-CB 3.71Å; L72-L129 HydrophobicContact CD2-CD1 4.18Å; L72-L129 HydrophobicContact CG-CB 4.44Å; L72-A130 HydrophobicContact CD1-CB 3.77Å; L72-I143 HydrophobicContact CD1-CD1 4.04Å
73	G	94.4	Very high	93.4	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-54.1	-48.9	177.9	0	0	0	0	0	112.3	D31 Y69 E70 S75 F76 K77	D31-G73 VanDerWaalsContact CB-C 3.47Å; Y69-G73 PolarHBondContact O-N 3.45Å; E70-G73 PolarHBondContact O-N 2.95Å; G73-S75 VanDerWaalsContact C-N 3.26Å; G73-S75 PolarHBondContact O-N 3.14Å; G73-F76 CarbonylContact O-C 3.5Å; G73-F76 PolarHBondContact O-N 3.37Å; G73-K77 PolarHBondContact O-N 2.9Å
74	A	91.6	Very high	93.6	Very high	41 Å²	41	55.9 Å²	55.9	34%	0.339	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-37.1	177.7	0	0	0	0	0	112.7	D31 E70 L72 K77	D31-A74 HydrophobicContact CB-CB 4.22Å; D31-A74 WeakPolarHBondContact OD2-CA 3.49Å; D31-A74 WeakPolarHBondContact OD2-CB 3.33Å; E70-A74 WeakPolarHBondContact O-CB 3.45Å; E70-A74 PolarHBondContact O-N 3.41Å; L72-A74 VanDerWaalsContact C-N 3.34Å; L72-A74 PolarHBondContact O-N 2.63Å; A74-K77 VanDerWaalsContact O-CB 3.31Å; A74-K77 WeakPolarHBondContact O-CB 3.46Å
75	S	92.4	Very high	93.9	Very high	16 Å²	16	47.8 Å²	47.8	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-69.7	-41.7	178.4	-55	0	0	0	0	111.9	K71 L72 G73 K77 V141 I143 A144	K71-S75 WeakPolarHBondContact O-CB 3.5Å; K71-S75 PolarHBondContact O-N 3.36Å; K71-S75 VanDerWaalsContact O-N 3.14Å; K71-S75 PolarHBondContact O-OG 3.04Å; L72-S75 WeakPolarHBondContact O-CB 3.38Å; L72-S75 PolarHBondContact O-N 3.19Å; L72-S75 VanDerWaalsContact O-N 3.08Å; G73-S75 VanDerWaalsContact C-N 3.26Å; G73-S75 PolarHBondContact O-N 3.14Å; S75-K77 VanDerWaalsContact C-N 3.34Å; S75-V141 WeakPolarHBondContact O-CG1 3.31Å; S75-I143 WeakPolarHBondContact OG-CA 3.42Å; S75-I143 WeakPolarHBondContact OG-CD1 3.38Å; S75-A144 PolarHBondContact OG-N 3.34Å
76	F	94.2	Very high	94	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.022	25%	0.253	C	S	.	.	H	α-helix	trans	-85.2	-1.4	179.9	-80.8	-94.6	0	0	0	114	L72 G73 K78 A79 V82 I84 A130 V133 V141	L72-F76 HydrophobicContact CD1-CD2 3.65Å; L72-F76 HydrophobicContact CD1-CE2 3.52Å; L72-F76 HydrophobicContact CG-CD2 4.17Å; L72-F76 HydrophobicContact CG-CE2 4.48Å; L72-F76 WeakPolarHBondContact O-CD2 3.38Å; L72-F76 PolarHBondContact O-N 3.34Å; G73-F76 CarbonylContact O-C 3.5Å; G73-F76 PolarHBondContact O-N 3.37Å; F76-K78 PolarHBondContact O-N 3.38Å; F76-A79 HydrophobicContact CD1-CB 3.91Å; F76-A79 WeakPolarHBondContact O-CB 3.39Å; F76-A79 PolarHBondContact O-N 3.47Å; F76-V82 HydrophobicContact CD1-CB 4.07Å; F76-V82 HydrophobicContact CD1-CG1 3.91Å; F76-V82 HydrophobicContact CD1-CG2 4.29Å; F76-V82 HydrophobicContact CE1-CG1 4.48Å; F76-V82 HydrophobicContact CE1-CG2 4.47Å; F76-I84 HydrophobicContact CB-CD1 4.35Å; F76-I84 HydrophobicContact CB-CG1 3.79Å; F76-I84 HydrophobicContact CG-CD1 4.37Å; F76-I84 HydrophobicContact CG-CG1 4.31Å; F76-A130 HydrophobicContact CE2-CB 3.8Å; F76-A130 HydrophobicContact CZ-CB 4.37Å; F76-V133 HydrophobicContact CD1-CG1 3.9Å; F76-V133 HydrophobicContact CE1-CB 4.08Å; F76-V133 HydrophobicContact CE1-CG1 3.27Å; F76-V133 HydrophobicContact CE2-CB 4.38Å; F76-V133 HydrophobicContact CE2-CG1 4.28Å; F76-V133 HydrophobicContact CZ-CB 3.75Å; F76-V133 HydrophobicContact CZ-CG1 3.49Å; F76-V133 VanDerWaalsContact CZ-CG1 3.49Å; F76-V141 HydrophobicContact CD1-CB 4Å; F76-V141 HydrophobicContact CD1-CG1 4.17Å; F76-V141 HydrophobicContact CD1-CG2 3.69Å; F76-V141 HydrophobicContact CD2-CB 4.29Å; F76-V141 HydrophobicContact CD2-CG1 3.8Å; F76-V141 HydrophobicContact CE1-CB 3.59Å; F76-V141 HydrophobicContact CE1-CG1 4.15Å; F76-V141 HydrophobicContact CE1-CG2 3.54Å; F76-V141 HydrophobicContact CE2-CB 3.91Å; F76-V141 HydrophobicContact CE2-CG1 3.79Å; F76-V141 HydrophobicContact CG-CB 4.33Å; F76-V141 HydrophobicContact CG-CG1 4Å; F76-V141 HydrophobicContact CG-CG2 4.32Å; F76-V141 HydrophobicContact CZ-CB 3.56Å; F76-V141 HydrophobicContact CZ-CG1 3.98Å; F76-V141 HydrophobicContact CZ-CG2 4.08Å
77	K	91.1	Very high	94.3	Very high	142 Å²	142	47.9 Å²	47.9	62%	0.617	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-35.5	180	-173.4	-178.7	-166.9	140.5	0	114.8	D31 G73 A74 S75	D31-K77 WeakPolarHBondContact OD1-CD 3.19Å; D31-K77 WeakPolarHBondContact OD1-CE 3.37Å; D31-K77 IonicContact OD1-NZ 3.53Å; D31-K77 PolarHBondContact OD1-NZ 3.12Å; D31-K77 IonicContact OD2-NZ 2.76Å; G73-K77 PolarHBondContact O-N 2.9Å; A74-K77 VanDerWaalsContact O-CB 3.31Å; A74-K77 WeakPolarHBondContact O-CB 3.46Å; S75-K77 VanDerWaalsContact C-N 3.34Å
78	K	90	Very high	94.7	Very high	193 Å²	193	45.2 Å²	45.2	84%	0.839	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.6	179.9	-65	-176.5	-178.1	176.1	0	113.9	F76 K80	F76-K78 PolarHBondContact O-N 3.38Å; K78-K80 PolarHBondContact O-N 3.4Å; K78-K80 VanDerWaalsContact O-N 3.13Å
79	A	92.8	Very high	95	Very high	16 Å²	16	42.7 Å²	42.7	13%	0.132	21%	0.21	C	C	.	.			trans	-83.9	83.1	-179.7	0	0	0	0	0	110.5	F76 S81 V82 V141	F76-A79 HydrophobicContact CD1-CB 3.91Å; F76-A79 WeakPolarHBondContact O-CB 3.39Å; F76-A79 PolarHBondContact O-N 3.47Å; A79-S81 PolarHBondContact O-N 2.97Å; A79-V82 PolarHBondContact O-N 3.22Å; A79-V82 VanDerWaalsContact O-O 3.09Å; A79-V141 HydrophobicContact CB-CG2 3.81Å
80	K	94	Very high	95	Very high	193 Å²	193	45.7 Å²	45.7	84%	0.839	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.3	-175.3	-61.7	-175.4	179.6	-177.4	0	115	K78 V82	K78-K80 PolarHBondContact O-N 3.4Å; K78-K80 VanDerWaalsContact O-N 3.13Å; K80-V82 VanDerWaalsContact C-N 3.28Å
81	S	96	Very high	95.2	Very high	63 Å²	63	48 Å²	48	44%	0.441	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.7	177.6	52	0	0	0	0	114.1	R48 A49 A79	R48-S81 WeakPolarHBondContact CB-O 3.5Å; A49-S81 PolarHBondContact N-O 3.26Å; A79-S81 PolarHBondContact O-N 2.97Å
82	V	97.8	Very high	95.5	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.4	-176	178.7	0	0	0	0	109.9	A49 F76 A79 K80 I84 W109 V133 A137 T139	A49-V82 CarbonylContact O-C 3.6Å; A49-V82 WeakPolarHBondContact O-CA 3.38Å; F76-V82 HydrophobicContact CD1-CB 4.07Å; F76-V82 HydrophobicContact CD1-CG1 3.91Å; F76-V82 HydrophobicContact CD1-CG2 4.29Å; F76-V82 HydrophobicContact CE1-CG1 4.48Å; F76-V82 HydrophobicContact CE1-CG2 4.47Å; A79-V82 PolarHBondContact O-N 3.22Å; A79-V82 VanDerWaalsContact O-O 3.09Å; K80-V82 VanDerWaalsContact C-N 3.28Å; V82-I84 HydrophobicContact CG1-CD1 3.76Å; V82-I84 HydrophobicContact CG1-CG1 4.43Å; V82-W109 HydrophobicContact CG1-CZ3 4.49Å; V82-V133 HydrophobicContact CG1-CG1 3.64Å; V82-V133 HydrophobicContact CG2-CG1 4.12Å; V82-A137 HydrophobicContact CG2-CB 3.52Å; V82-T139 HydrophobicContact CG2-CG2 4.25Å
83	L	97.2	Very high	95.6	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.4	169.2	172.6	58.8	0	0	0	109.2	L33 E43 V44 R48 A49 A50 L51 A85	L33-L83 HydrophobicContact CB-CD1 3.84Å; L33-L83 HydrophobicContact CD2-CD1 3.77Å; L33-L83 HydrophobicContact CD2-CD2 4.28Å; L33-L83 HydrophobicContact CG-CD1 4.47Å; E43-L83 HydrophobicContact CB-CD2 3.93Å; V44-L83 HydrophobicContact CG2-CD2 4.3Å; R48-L83 HydrophobicContact CG-CB 4.08Å; A49-L83 PolarHBondContact O-N 2.77Å; A50-L83 CarbonylContact C-O 3.55Å; A50-L83 VanDerWaalsContact CA-O 3.23Å; A50-L83 WeakPolarHBondContact CA-O 3.32Å; A50-L83 HydrophobicContact CB-CB 3.92Å; A50-L83 HydrophobicContact CB-CD2 4.12Å; A50-L83 HydrophobicContact CB-CG 4.19Å; L51-L83 PolarHBondContact N-O 3.26Å; L83-A85 HydrophobicContact CD1-CB 4.3Å; L83-A85 HydrophobicContact CD2-CB 4.32Å; L83-A85 HydrophobicContact CG-CB 4.02Å
84	I	97.8	Very high	95.8	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.4	166.7	-52.1	-56.7	0	0	0	107.3	V32 L33 L51 Y69 L72 F76 V82 V133	V32-I84 HydrophobicContact CG1-CG2 4.36Å; V32-I84 HydrophobicContact CG2-CG2 4.13Å; L33-I84 PolarHBondContact N-O 3.05Å; L51-I84 HydrophobicContact CB-CD1 3.96Å; Y69-I84 HydrophobicContact CD1-CG2 4.08Å; Y69-I84 HydrophobicContact CE1-CG2 3.52Å; L72-I84 HydrophobicContact CD2-CD1 4.04Å; L72-I84 HydrophobicContact CD2-CG2 4.14Å; L72-I84 HydrophobicContact CG-CD1 4.23Å; L72-I84 HydrophobicContact CG-CG1 4.41Å; L72-I84 HydrophobicContact CG-CG2 4.44Å; F76-I84 HydrophobicContact CB-CD1 4.35Å; F76-I84 HydrophobicContact CB-CG1 3.79Å; F76-I84 HydrophobicContact CG-CD1 4.37Å; F76-I84 HydrophobicContact CG-CG1 4.31Å; V82-I84 HydrophobicContact CG1-CD1 3.76Å; V82-I84 HydrophobicContact CG1-CG1 4.43Å; I84-V133 HydrophobicContact CD1-CG2 4.45Å
85	A	98.2	Very high	96.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	162.8	-171.6	0	0	0	0	0	113	L33 L35 L51 V52 E53 Y69 L83	L33-A85 HydrophobicContact CB-CB 4.22Å; L33-A85 CarbonylContact O-C 3.5Å; L33-A85 WeakPolarHBondContact O-CA 3.32Å; L33-A85 VanDerWaalsContact O-CB 3.3Å; L33-A85 WeakPolarHBondContact O-CB 3.22Å; L35-A85 HydrophobicContact CD1-CB 3.53Å; L35-A85 HydrophobicContact CG-CB 3.83Å; L51-A85 PolarHBondContact O-N 3.44Å; V52-A85 CarbonylContact C-O 3.51Å; V52-A85 VanDerWaalsContact CA-O 3.29Å; V52-A85 WeakPolarHBondContact CA-O 3.43Å; V52-A85 HydrophobicContact CG2-CB 4.36Å; E53-A85 PolarHBondContact N-O 2.92Å; Y69-A85 VanDerWaalsContact CE1-O 3.22Å; Y69-A85 WeakPolarHBondContact CE1-O 3.02Å; Y69-A85 PolarHBondContact OH-O 3.43Å; Y69-A85 VanDerWaalsContact OH-O 3.05Å; L83-A85 HydrophobicContact CD1-CB 4.3Å; L83-A85 HydrophobicContact CD2-CB 4.32Å; L83-A85 HydrophobicContact CG-CB 4.02Å
86	K	98.5	Very high	96.3	Very high	37 Å²	37	54.1 Å²	54.1	16%	0.161	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.4	177	67.5	-171.4	-177.9	-168.6	0	112.1	D30 V32 L33 L35 E53 Y55	D30-K86 IonicContact OD2-NZ 3.61Å; D30-K86 PolarHBondContact OD2-NZ 2.83Å; V32-K86 HydrophobicContact CB-CD 4.48Å; V32-K86 HydrophobicContact CG1-CB 3.92Å; V32-K86 HydrophobicContact CG1-CD 3.83Å; V32-K86 HydrophobicContact CG1-CG 3.81Å; L33-K86 PolarHBondContact O-N 3.32Å; L35-K86 PolarHBondContact N-O 2.95Å; E53-K86 HydrophobicContact CB-CB 4.24Å; E53-K86 CarbonylContact O-C 3.55Å; E53-K86 WeakPolarHBondContact O-CA 3.33Å; Y55-K86 HydrophobicContact CD1-CB 4.14Å; Y55-K86 HydrophobicContact CE1-CB 4.01Å; Y55-K86 HydrophobicContact CE1-CD 4.06Å; Y55-K86 HydrophobicContact CE1-CG 3.95Å
87	V	98.6	Very high	96.5	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123	176.7	178.4	0	0	0	0	109	L35 F40 V52 E53 F54 Y55 C89 H92 V95	L35-V87 HydrophobicContact CB-CG2 3.75Å; L35-V87 HydrophobicContact CD1-CG2 4.47Å; F40-V87 HydrophobicContact CD2-CG2 3.76Å; F40-V87 HydrophobicContact CE2-CG2 3.83Å; V52-V87 HydrophobicContact CG1-CG2 3.9Å; E53-V87 PolarHBondContact O-N 3.34Å; F54-V87 HydrophobicContact CD1-CB 3.76Å; F54-V87 HydrophobicContact CD1-CG1 4.16Å; F54-V87 HydrophobicContact CD1-CG2 4.12Å; F54-V87 HydrophobicContact CE1-CB 4.05Å; F54-V87 HydrophobicContact CE1-CG1 4.39Å; F54-V87 HydrophobicContact CE1-CG2 3.9Å; Y55-V87 WeakPolarHBondContact CD1-O 3.46Å; Y55-V87 VanDerWaalsContact CE1-C 3.49Å; Y55-V87 PolarHBondContact N-O 3Å; V87-C89 PolarHBondContact O-N 3.36Å; V87-H92 HydrophobicContact CG1-CB 3.93Å; V87-V95 HydrophobicContact CG1-CG1 4.32Å
88	D	98.2	Very high	96.8	Very high	17 Å²	17	57.2 Å²	57.2	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	112.8	168.2	-172.1	-30.6	0	0	0	109.4	Y55 P57 D90 E91 H92	Y55-D88 HydrophobicContact CE1-CB 4.05Å; P57-D88 WeakPolarHBondContact CD-OD1 3.47Å; P57-D88 WeakPolarHBondContact CD-OD2 3.38Å; P57-D88 WeakPolarHBondContact CG-OD2 3.42Å; D88-D90 WeakPolarHBondContact OD1-CA 3.33Å; D88-D90 WeakPolarHBondContact OD1-CB 3.31Å; D88-D90 PolarHBondContact OD1-N 3.02Å; D88-E91 HydrophobicContact CB-CB 4.31Å; D88-E91 HydrophobicContact CB-CG 4.46Å; D88-E91 PolarHBondContact O-N 2.85Å; D88-E91 PolarHBondContact OD1-N 3.29Å; D88-H92 WeakPolarHBondContact O-CB 3.47Å; D88-H92 PolarHBondContact O-N 3.4Å
89	C	98.1	Very high	97.2	Very high	1 Å²	1	49 Å²	49	1%	0.007	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.4	-178.2	-65.7	0	0	0	0	114.5	Y55 V87 K93 C96 Y104	Y55-C89 WeakPolarHBondContact O-CB 3.3Å; Y55-C89 PolarHBondContact O-N 2.96Å; V87-C89 PolarHBondContact O-N 3.36Å; C89-K93 WeakPolarHBondContact O-CG 3.32Å; C89-C96 WeakPolarHBondContact CA-SG 3.38Å; C89-C96 HydrophobicContact CB-CB 3.7Å; C89-C96 WeakPolarHBondContact CB-SG 3.34Å; C89-C96 WeakPolarHBondContact SG-CB 3.31Å; C89-C96 CovalentContact SG-SG 2.02Å; C89-C96 PolarHBondContact SG-SG 2.8Å; C89-Y104 HydrophobicContact CB-CE1 3.46Å; C89-Y104 VanDerWaalsContact CB-CE1 3.46Å; C89-Y104 WeakPolarHBondContact CB-OH 3.25Å; C89-Y104 VanDerWaalsContact SG-CE1 3.57Å
90	D	96.6	Very high	97.4	Very high	65 Å²	65	51 Å²	51	35%	0.348	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-37.9	168.8	-73.4	-22.1	0	0	0	110.4	P57 W58 D88 K93	P57-D90 WeakPolarHBondContact CD-OD2 3.39Å; W58-D90 PolarHBondContact NE1-OD1 3.06Å; W58-D90 PolarHBondContact NE1-OD2 3.48Å; D88-D90 WeakPolarHBondContact OD1-CA 3.33Å; D88-D90 WeakPolarHBondContact OD1-CB 3.31Å; D88-D90 PolarHBondContact OD1-N 3.02Å; D90-K93 WeakPolarHBondContact O-CE 3.24Å
91	E	97.1	Very high	97.6	Very high	138 Å²	138	42.7 Å²	42.7	65%	0.645	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-35.3	177.2	-63.3	-167.1	164.9	0	0	113.4	D88	D88-E91 HydrophobicContact CB-CB 4.31Å; D88-E91 HydrophobicContact CB-CG 4.46Å; D88-E91 PolarHBondContact O-N 2.85Å; D88-E91 PolarHBondContact OD1-N 3.29Å
92	H	97.7	Very high	97.5	Very high	29 Å²	29	45.6 Å²	45.6	13%	0.134	26%	0.26	C	S	.	.			trans	-121.5	51.3	-171.6	-55.7	-44.1	0	0	0	112.7	L35 T36 E37 V87 D88 S94 V95 C96	L35-H92 PolarHBondContact O-CD2 3.43Å; T36-H92 WeakPolarHBondContact CA-NE2 3.44Å; T36-H92 WeakPolarHBondContact CB-NE2 3.41Å; T36-H92 WeakPolarHBondContact CG2-NE2 3.39Å; E37-H92 HydrophobicContact CG-CB 3.82Å; V87-H92 HydrophobicContact CG1-CB 3.93Å; D88-H92 WeakPolarHBondContact O-CB 3.47Å; D88-H92 PolarHBondContact O-N 3.4Å; H92-S94 PolarHBondContact O-N 2.88Å; H92-S94 VanDerWaalsContact O-N 3.16Å; H92-V95 PolarHBondContact O-N 3.36Å; H92-C96 PolarHBondContact O-N 3.11Å
93	K	96.3	Very high	97.5	Very high	134 Å²	134	46.6 Å²	46.6	58%	0.583	27%	0.272	S	S	*	.	H	α-helix	trans	-53.4	-35.9	-176.7	-69.5	177.2	-176.5	178.6	0	113.9	C89 D90 C96 S97	C89-K93 WeakPolarHBondContact O-CG 3.32Å; D90-K93 WeakPolarHBondContact O-CE 3.24Å; K93-C96 PolarHBondContact O-N 3.2Å; K93-S97 WeakPolarHBondContact O-CB 3.44Å; K93-S97 PolarHBondContact O-N 3.32Å; K93-S97 PolarHBondContact O-OG 3.22Å
94	S	97.2	Very high	97.5	Very high	63 Å²	63	49 Å²	49	44%	0.441	28%	0.282	S	S	.	.	H	α-helix	trans	-65.9	-41.6	-177.3	69.2	0	0	0	0	111.8	E37 H92 S97 K98	E37-S94 WeakPolarHBondContact OE1-CB 3.33Å; E37-S94 PolarHBondContact OE1-OG 3.19Å; H92-S94 PolarHBondContact O-N 2.88Å; H92-S94 VanDerWaalsContact O-N 3.16Å; S94-S97 PolarHBondContact O-N 3.49Å; S94-K98 WeakPolarHBondContact O-CB 3.37Å; S94-K98 PolarHBondContact O-N 3.34Å
95	V	97.8	Very high	97.5	Very high	11 Å²	11	48.8 Å²	48.8	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-47.2	176.2	178.3	0	0	0	0	110	E37 F40 F54 V87 H92 S97 K98 Y99	E37-V95 HydrophobicContact CB-CG2 4.13Å; E37-V95 HydrophobicContact CG-CG2 3.97Å; F40-V95 HydrophobicContact CB-CG1 4.36Å; F40-V95 HydrophobicContact CD2-CG1 3.46Å; F40-V95 VanDerWaalsContact CD2-CG1 3.46Å; F40-V95 HydrophobicContact CE2-CG1 3.81Å; F40-V95 HydrophobicContact CG-CG1 3.88Å; F54-V95 HydrophobicContact CE1-CG1 4.1Å; V87-V95 HydrophobicContact CG1-CG1 4.32Å; H92-V95 PolarHBondContact O-N 3.36Å; V95-S97 VanDerWaalsContact C-N 3.34Å; V95-S97 PolarHBondContact O-N 3.12Å; V95-K98 WeakPolarHBondContact O-CB 3.32Å; V95-K98 PolarHBondContact O-N 2.82Å; V95-Y99 HydrophobicContact CG1-CD2 3.96Å; V95-Y99 HydrophobicContact CG1-CE2 4.01Å; V95-Y99 VanDerWaalsContact O-CD2 3.24Å; V95-Y99 WeakPolarHBondContact O-CD2 3.31Å; V95-Y99 PolarHBondContact O-N 3.47Å; V95-Y99 VanDerWaalsContact O-N 3.16Å
96	C	97.8	Very high	97.5	Very high	4 Å²	4	49.4 Å²	49.4	3%	0.027	28%	0.284	C	S	.	.	H	α-helix	trans	-65.4	-38.5	-178.9	-58.8	0	0	0	0	112.3	F54 C89 H92 K93 Y99 G100 V101	F54-C96 HydrophobicContact CD1-CB 4.49Å; C89-C96 WeakPolarHBondContact CA-SG 3.38Å; C89-C96 HydrophobicContact CB-CB 3.7Å; C89-C96 WeakPolarHBondContact CB-SG 3.34Å; C89-C96 WeakPolarHBondContact SG-CB 3.31Å; C89-C96 CovalentContact SG-SG 2.02Å; C89-C96 PolarHBondContact SG-SG 2.8Å; H92-C96 PolarHBondContact O-N 3.11Å; K93-C96 PolarHBondContact O-N 3.2Å; C96-Y99 PolarHBondContact O-N 3.35Å; C96-G100 PolarHBondContact O-N 3.42Å; C96-V101 HydrophobicContact CB-CB 4.07Å; C96-V101 HydrophobicContact CB-CG2 4.23Å; C96-V101 WeakPolarHBondContact O-CB 3.44Å; C96-V101 WeakPolarHBondContact O-CG2 3.49Å; C96-V101 PolarHBondContact O-N 3.42Å
97	S	97.4	Very high	97.6	Very high	90 Å²	90	47.7 Å²	47.7	63%	0.629	28%	0.277	S	S	*	.	H	α-helix	trans	-65.2	-42.4	174.1	-57.2	0	0	0	0	111.5	K93 S94 V95 Y99 G100	K93-S97 WeakPolarHBondContact O-CB 3.44Å; K93-S97 PolarHBondContact O-N 3.32Å; K93-S97 PolarHBondContact O-OG 3.22Å; S94-S97 PolarHBondContact O-N 3.49Å; V95-S97 VanDerWaalsContact C-N 3.34Å; V95-S97 PolarHBondContact O-N 3.12Å; S97-Y99 VanDerWaalsContact C-N 3.27Å; S97-Y99 PolarHBondContact O-N 3.17Å; S97-G100 PolarHBondContact O-N 2.99Å; S97-G100 VanDerWaalsContact O-N 3.15Å
98	K	97.9	Very high	97.6	Very high	122 Å²	122	48.3 Å²	48.3	53%	0.53	28%	0.279	S	S	.	.	H	α-helix	trans	-57.5	-38.4	177.7	175.2	175.3	176.2	168.5	0	112.5	E41 S94 V95	E41-K98 IonicContact OE1-NZ 2.88Å; E41-K98 PolarHBondContact OE1-NZ 3.2Å; S94-K98 WeakPolarHBondContact O-CB 3.37Å; S94-K98 PolarHBondContact O-N 3.34Å; V95-K98 WeakPolarHBondContact O-CB 3.32Å; V95-K98 PolarHBondContact O-N 2.82Å
99	Y	98	Very high	97.6	Very high	20 Å²	20	47.7 Å²	47.7	8%	0.078	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	15.5	-179.6	-64.6	-66.4	0	0	0	114.2	F40 F54 V95 C96 S97 V101 Q108 F110 L115 P117	F40-Y99 AromaticContact CD1-CE2 3.76Å; F40-Y99 HydrophobicContact CD1-CE2 3.76Å; F40-Y99 HydrophobicContact CE1-CD2 4.18Å; F40-Y99 HydrophobicContact CE1-CE1 4.46Å; F40-Y99 AromaticContact CE1-CE2 3.23Å; F40-Y99 HydrophobicContact CE1-CE2 3.23Å; F40-Y99 AromaticContact CE1-CZ 3.4Å; F40-Y99 VanDerWaalsContact CE1-CZ 3.4Å; F40-Y99 VanDerWaalsContact CE1-OH 3.24Å; F40-Y99 WeakPolarHBondContact CE1-OH 3.25Å; F40-Y99 HydrophobicContact CE2-CD2 4.4Å; F40-Y99 HydrophobicContact CE2-CE2 4.11Å; F40-Y99 HydrophobicContact CG-CE2 4.42Å; F40-Y99 AromaticContact CZ-CD2 3.92Å; F40-Y99 HydrophobicContact CZ-CD2 3.92Å; F40-Y99 AromaticContact CZ-CE2 3.42Å; F40-Y99 HydrophobicContact CZ-CE2 3.42Å; F40-Y99 VanDerWaalsContact CZ-CE2 3.42Å; F40-Y99 AromaticContact CZ-CZ 3.91Å; F54-Y99 HydrophobicContact CE1-CD2 4.26Å; F54-Y99 AromaticContact CZ-CD2 3.98Å; F54-Y99 HydrophobicContact CZ-CD2 3.98Å; F54-Y99 HydrophobicContact CZ-CG 4.24Å; V95-Y99 HydrophobicContact CG1-CD2 3.96Å; V95-Y99 HydrophobicContact CG1-CE2 4.01Å; V95-Y99 VanDerWaalsContact O-CD2 3.24Å; V95-Y99 WeakPolarHBondContact O-CD2 3.31Å; V95-Y99 PolarHBondContact O-N 3.47Å; V95-Y99 VanDerWaalsContact O-N 3.16Å; C96-Y99 PolarHBondContact O-N 3.35Å; S97-Y99 VanDerWaalsContact C-N 3.27Å; S97-Y99 PolarHBondContact O-N 3.17Å; Y99-V101 PolarHBondContact O-N 3.16Å; Y99-Q108 PolarHBondContact O-NE2 3.23Å; Y99-F110 AromaticContact CD1-CE1 3.85Å; Y99-F110 HydrophobicContact CD1-CE1 3.85Å; Y99-F110 AromaticContact CD1-CZ 3.91Å; Y99-F110 HydrophobicContact CD1-CZ 3.91Å; Y99-F110 HydrophobicContact CD2-CZ 4.49Å; Y99-F110 AromaticContact CE1-CE1 3.56Å; Y99-F110 HydrophobicContact CE1-CE1 3.56Å; Y99-F110 HydrophobicContact CE1-CZ 4.02Å; Y99-F110 HydrophobicContact CG-CZ 4.17Å; Y99-L115 WeakPolarHBondContact CE1-O 3.36Å; Y99-P117 HydrophobicContact CD1-CG 4.08Å
100	G	97	Very high	97.6	Very high	59 Å²	59	47.6 Å²	47.6	61%	0.608	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	29.8	171.1	0	0	0	0	0	114.5	C96 S97 S102	C96-G100 PolarHBondContact O-N 3.42Å; S97-G100 PolarHBondContact O-N 2.99Å; S97-G100 VanDerWaalsContact O-N 3.15Å; G100-S102 PolarHBondContact O-N 3.34Å
101	V	98	Very high	97.7	Very high	19 Å²	19	46.4 Å²	46.4	12%	0.115	27%	0.271	C	S	.	.			trans	-74.2	110.8	179.2	-179.1	0	0	0	0	109.8	F54 C96 Y99 Y104 T106	F54-V101 HydrophobicContact CB-CB 4.45Å; F54-V101 HydrophobicContact CB-CG1 3.94Å; F54-V101 HydrophobicContact CB-CG2 3.68Å; F54-V101 HydrophobicContact CD1-CG2 3.83Å; F54-V101 HydrophobicContact CD2-CG2 3.86Å; F54-V101 HydrophobicContact CE1-CG2 4.4Å; F54-V101 HydrophobicContact CE2-CG2 4.43Å; F54-V101 HydrophobicContact CG-CG2 3.51Å; C96-V101 HydrophobicContact CB-CB 4.07Å; C96-V101 HydrophobicContact CB-CG2 4.23Å; C96-V101 WeakPolarHBondContact O-CB 3.44Å; C96-V101 WeakPolarHBondContact O-CG2 3.49Å; C96-V101 PolarHBondContact O-N 3.42Å; Y99-V101 PolarHBondContact O-N 3.16Å; V101-Y104 HydrophobicContact CG1-CD1 3.94Å; V101-Y104 HydrophobicContact CG1-CE1 3.57Å; V101-T106 HydrophobicContact CG2-CG2 4.33Å
102	S	95.3	Very high	97.7	Very high	123 Å²	123	46.5 Å²	46.5	86%	0.86	27%	0.27	S	S	*	.			trans	-107.7	-3.4	-179.8	58.9	0	0	0	0	114.3	G100	G100-S102 PolarHBondContact O-N 3.34Å
103	G	96.5	Very high	97.7	Very high	30 Å²	30	47.8 Å²	47.8	31%	0.309	29%	0.291	S	S	.	.	S	Bend	trans	-168.7	167.1	179.3	0	0	0	0	0	112.3	T106	G103-T106 PolarHBondContact O-OG1 3.23Å
104	Y	98	Very high	97.8	Very high	59 Å²	59	42.9 Å²	42.9	23%	0.231	27%	0.273	C	S	.	.	S	Bend	trans	-125.9	145.3	-170.5	-50.2	-60.5	0	0	0	113.6	A56 W58 C62 C89 V101	A56-Y104 HydrophobicContact CB-CD2 3.58Å; A56-Y104 HydrophobicContact CB-CE2 3.69Å; A56-Y104 HydrophobicContact CB-CG 4.08Å; W58-Y104 HydrophobicContact CH2-CD2 4.21Å; W58-Y104 HydrophobicContact CH2-CE2 4.42Å; W58-Y104 HydrophobicContact CZ2-CD2 4.19Å; W58-Y104 HydrophobicContact CZ2-CE2 4.05Å; C62-Y104 VanDerWaalsContact SG-CB 3.59Å; C89-Y104 HydrophobicContact CB-CE1 3.46Å; C89-Y104 VanDerWaalsContact CB-CE1 3.46Å; C89-Y104 WeakPolarHBondContact CB-OH 3.25Å; C89-Y104 VanDerWaalsContact SG-CE1 3.57Å; V101-Y104 HydrophobicContact CG1-CD1 3.94Å; V101-Y104 HydrophobicContact CG1-CE1 3.57Å
105	P	97.9	Very high	97.8	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.013	27%	0.267	C	S	.	.	S	Bend	cis	-70.1	146.9	-15.3	28.1	-32.7	0	0	0	110.9	E53 F54 C62 L65 R124	E53-P105 HydrophobicContact CG-CB 4.09Å; F54-P105 WeakPolarHBondContact O-CA 3.45Å; C62-P105 VanDerWaalsContact SG-CD 3.59Å; L65-P105 HydrophobicContact CB-CG 4.45Å; L65-P105 HydrophobicContact CD2-CB 3.77Å; L65-P105 HydrophobicContact CD2-CG 3.65Å; P105-R124 PolarHBondContact O-NH2 3.45Å
106	T	98.7	Very high	97.8	Very high	13 Å²	13	49.6 Å²	49.6	8%	0.08	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.6	165	-73.4	0	0	0	0	108	F54 V101 G103 Q108	F54-T106 PolarHBondContact N-O 3.27Å; F54-T106 PolarHBondContact O-N 3.49Å; V101-T106 HydrophobicContact CG2-CG2 4.33Å; G103-T106 PolarHBondContact O-OG1 3.23Å; T106-Q108 HydrophobicContact CG2-CG 4.1Å
107	I	98.8	Very high	97.8	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.8	179.8	-55.8	171.3	0	0	0	108.1	L51 V52 L65 Y120 R124 L129	L51-I107 HydrophobicContact CD1-CG2 3.69Å; L51-I107 HydrophobicContact CD2-CG2 4.14Å; L51-I107 HydrophobicContact CG-CG2 3.82Å; V52-I107 WeakPolarHBondContact O-CA 3.44Å; L65-I107 HydrophobicContact CD2-CD1 3.73Å; L65-I107 HydrophobicContact CD2-CG1 4.22Å; I107-Y120 HydrophobicContact CB-CD1 4.24Å; I107-Y120 HydrophobicContact CD1-CD1 4.09Å; I107-Y120 HydrophobicContact CG2-CD1 4.32Å; I107-Y120 HydrophobicContact CG2-CG 4.36Å; I107-Y120 PolarHBondContact O-N 3.48Å; I107-R124 HydrophobicContact CD1-CG 4.19Å; I107-L129 HydrophobicContact CD1-CD2 3.85Å; I107-L129 HydrophobicContact CG2-CD2 4.44Å
108	Q	98.7	Very high	97.9	Very high	13 Å²	13	52.3 Å²	52.3	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141	180	-71.8	-178.9	-12.1	0	0	111.6	V52 F54 Y99 T106 F110 P117 K118	V52-Q108 PolarHBondContact N-O 2.9Å; V52-Q108 PolarHBondContact O-N 3.06Å; F54-Q108 HydrophobicContact CE2-CB 4.09Å; F54-Q108 HydrophobicContact CE2-CG 4.25Å; Y99-Q108 PolarHBondContact O-NE2 3.23Å; T106-Q108 HydrophobicContact CG2-CG 4.1Å; Q108-F110 HydrophobicContact CB-CE2 3.85Å; Q108-F110 HydrophobicContact CB-CZ 4.4Å; Q108-P117 HydrophobicContact CB-CB 3.82Å; Q108-P117 HydrophobicContact CG-CB 4.13Å; Q108-K118 CarbonylContact C-O 3.6Å; Q108-K118 WeakPolarHBondContact CA-O 3.23Å
109	W	98.7	Very high	97.9	Very high	4 Å²	4	52 Å²	52	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.6	174.7	176.2	-108.7	0	0	0	111	A49 A50 L51 V82 P117 K118 Y132 V133 E136 A137	A49-W109 HydrophobicContact CB-CH2 3.34Å; A49-W109 HydrophobicContact CB-CZ2 3.28Å; A49-W109 HydrophobicContact CB-CZ3 4.24Å; A50-W109 CarbonylContact O-C 3.58Å; A50-W109 WeakPolarHBondContact O-CA 3.39Å; L51-W109 HydrophobicContact CB-CE3 4Å; L51-W109 HydrophobicContact CB-CZ3 4.22Å; L51-W109 HydrophobicContact CD1-CB 4.29Å; L51-W109 HydrophobicContact CD1-CE3 4Å; V82-W109 HydrophobicContact CG1-CZ3 4.49Å; W109-P117 CarbonylContact O-C 3.59Å; W109-P117 VanDerWaalsContact O-CA 3.23Å; W109-P117 WeakPolarHBondContact O-CA 3.37Å; W109-K118 HydrophobicContact CB-CB 4.46Å; W109-K118 PolarHBondContact N-O 3.09Å; W109-K118 PolarHBondContact O-N 2.86Å; W109-Y132 HydrophobicContact CB-CE1 3.92Å; W109-Y132 HydrophobicContact CG-CE1 4.34Å; W109-V133 HydrophobicContact CH2-CG1 4.33Å; W109-V133 HydrophobicContact CZ3-CG1 4.11Å; W109-V133 HydrophobicContact CZ3-CG2 4.25Å; W109-E136 HydrophobicContact CD2-CB 4.13Å; W109-E136 VanDerWaalsContact CE2-CB 3.47Å; W109-E136 HydrophobicContact CG-CB 4.5Å; W109-E136 HydrophobicContact CG-CG 4.43Å; W109-E136 HydrophobicContact CH2-CB 4.41Å; W109-E136 HydrophobicContact CZ2-CB 3.61Å; W109-E136 PolarHBondContact NE1-OE2 3Å; W109-A137 HydrophobicContact CH2-CB 3.82Å; W109-A137 HydrophobicContact CZ2-CB 4.11Å
110	F	98.7	Very high	97.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.1	175.8	-66.6	-95.4	0	0	0	108.7	F40 V44 A49 A50 V52 F54 Y99 Q108 P117	F40-F110 HydrophobicContact CE1-CE1 4.29Å; F40-F110 HydrophobicContact CE1-CZ 4.27Å; F40-F110 HydrophobicContact CZ-CE1 4.15Å; F40-F110 HydrophobicContact CZ-CE2 4.03Å; F40-F110 AromaticContact CZ-CZ 3.68Å; F40-F110 HydrophobicContact CZ-CZ 3.68Å; V44-F110 HydrophobicContact CG1-CB 3.54Å; V44-F110 HydrophobicContact CG1-CD1 3.58Å; V44-F110 HydrophobicContact CG1-CD2 3.88Å; V44-F110 HydrophobicContact CG1-CE1 4.22Å; V44-F110 HydrophobicContact CG1-CE2 4.49Å; V44-F110 HydrophobicContact CG1-CG 3.37Å; A49-F110 CarbonylContact C-O 3.55Å; A49-F110 VanDerWaalsContact CA-O 3.28Å; A49-F110 WeakPolarHBondContact CA-O 3.28Å; A49-F110 WeakPolarHBondContact CB-O 3.41Å; A50-F110 HydrophobicContact CB-CB 4.27Å; A50-F110 PolarHBondContact N-O 3.39Å; A50-F110 PolarHBondContact O-N 3.28Å; V52-F110 HydrophobicContact CB-CD2 4.32Å; V52-F110 HydrophobicContact CB-CE2 3.96Å; V52-F110 HydrophobicContact CG2-CD2 3.7Å; V52-F110 HydrophobicContact CG2-CE2 3.72Å; F54-F110 HydrophobicContact CE2-CE2 4.28Å; F54-F110 HydrophobicContact CE2-CZ 4.45Å; F54-F110 HydrophobicContact CZ-CE2 4.38Å; F54-F110 HydrophobicContact CZ-CZ 4.28Å; Y99-F110 AromaticContact CD1-CE1 3.85Å; Y99-F110 HydrophobicContact CD1-CE1 3.85Å; Y99-F110 AromaticContact CD1-CZ 3.91Å; Y99-F110 HydrophobicContact CD1-CZ 3.91Å; Y99-F110 HydrophobicContact CD2-CZ 4.49Å; Y99-F110 AromaticContact CE1-CE1 3.56Å; Y99-F110 HydrophobicContact CE1-CE1 3.56Å; Y99-F110 HydrophobicContact CE1-CZ 4.02Å; Y99-F110 HydrophobicContact CG-CZ 4.17Å; Q108-F110 HydrophobicContact CB-CE2 3.85Å; Q108-F110 HydrophobicContact CB-CZ 4.4Å; F110-P117 HydrophobicContact CD1-CB 4.07Å; F110-P117 HydrophobicContact CD2-CB 4.45Å; F110-P117 HydrophobicContact CE1-CB 3.65Å; F110-P117 HydrophobicContact CE1-CG 3.94Å; F110-P117 HydrophobicContact CE2-CB 4.06Å; F110-P117 HydrophobicContact CG-CB 4.46Å; F110-P117 HydrophobicContact CZ-CB 3.65Å; F110-P117 HydrophobicContact CZ-CG 4.07Å
111	P	98.1	Very high	97.9	Very high	40 Å²	40	56.3 Å²	56.3	26%	0.26	31%	0.306	S	S	.	.			trans	-58.9	150.7	174	-22.8	33.9	0	0	0	111.5	G113 S114 E116	P111-G113 PolarHBondContact O-N 2.71Å; P111-S114 PolarHBondContact O-N 2.87Å; P111-E116 WeakPolarHBondContact CD-O 3.42Å
112	K	97.6	Very high	97.7	Very high	140 Å²	140	57.3 Å²	57.3	61%	0.609	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	131.3	173.3	172.9	175	174	147.8	0	110.3	D47 A49 S114	D47-K112 VanDerWaalsContact O-CD 3.23Å; D47-K112 WeakPolarHBondContact O-CD 3.48Å; D47-K112 WeakPolarHBondContact O-CE 3.43Å; D47-K112 PolarHBondContact O-NZ 3.38Å; A49-K112 HydrophobicContact CB-CB 4.36Å; K112-S114 PolarHBondContact O-N 2.81Å
113	G	97.5	Very high	97.6	Very high	56 Å²	56	58.1 Å²	58.1	58%	0.577	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	6.5	179.9	0	0	0	0	0	115.3	G45 Q46 P111	G45-G113 CarbonylContact O-C 3.41Å; G45-G113 VanDerWaalsContact O-CA 3.29Å; G45-G113 WeakPolarHBondContact O-CA 3.43Å; Q46-G113 WeakPolarHBondContact O-CA 3.42Å; Q46-G113 PolarHBondContact O-N 3.44Å; P111-G113 PolarHBondContact O-N 2.71Å
114	S	97.7	Very high	97.6	Very high	31 Å²	31	62 Å²	62	22%	0.217	32%	0.316	C	S	.	.			trans	-127.6	138.4	-178.3	-175.6	0	0	0	0	112.4	G45 P111 K112 E116	G45-S114 VanDerWaalsContact CA-O 3.29Å; G45-S114 WeakPolarHBondContact CA-O 3.46Å; P111-S114 PolarHBondContact O-N 2.87Å; K112-S114 PolarHBondContact O-N 2.81Å; S114-E116 WeakPolarHBondContact OG-CB 3.45Å; S114-E116 PolarHBondContact OG-N 3.42Å
115	L	98	Very high	97.3	Very high	60 Å²	60	61.5 Å²	61.5	31%	0.314	32%	0.318	S	S	.	.			trans	-95.8	8.1	168.3	-68.5	176.4	0	0	0	112.3	F40 E41 V44 Y99 P117	F40-L115 HydrophobicContact CE1-CD2 4.48Å; E41-L115 HydrophobicContact CG-CD1 4.02Å; E41-L115 HydrophobicContact CG-CD2 4.3Å; V44-L115 HydrophobicContact CB-CD2 4.43Å; V44-L115 HydrophobicContact CG1-CD2 4.17Å; V44-L115 WeakPolarHBondContact O-CD2 3.41Å; Y99-L115 WeakPolarHBondContact CE1-O 3.36Å; L115-P117 VanDerWaalsContact O-CD 3.25Å; L115-P117 WeakPolarHBondContact O-CD 3.39Å
116	E	97.8	Very high	97	Very high	154 Å²	154	61.4 Å²	61.4	72%	0.72	32%	0.318	S	S	*	.			trans	-89	109.2	175.2	-63.1	-175.3	169.3	0	0	110.4	P111 S114	P111-E116 WeakPolarHBondContact CD-O 3.42Å; S114-E116 WeakPolarHBondContact OG-CB 3.45Å; S114-E116 PolarHBondContact OG-N 3.42Å
117	P	98	Very high	96.7	Very high	49 Å²	49	65.2 Å²	65.2	32%	0.318	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-82.3	151.9	-177.3	29.6	-32.4	0	0	0	113.6	Y99 Q108 W109 F110 L115	Y99-P117 HydrophobicContact CD1-CG 4.08Å; Q108-P117 HydrophobicContact CB-CB 3.82Å; Q108-P117 HydrophobicContact CG-CB 4.13Å; W109-P117 CarbonylContact O-C 3.59Å; W109-P117 VanDerWaalsContact O-CA 3.23Å; W109-P117 WeakPolarHBondContact O-CA 3.37Å; F110-P117 HydrophobicContact CD1-CB 4.07Å; F110-P117 HydrophobicContact CD2-CB 4.45Å; F110-P117 HydrophobicContact CE1-CB 3.65Å; F110-P117 HydrophobicContact CE1-CG 3.94Å; F110-P117 HydrophobicContact CE2-CB 4.06Å; F110-P117 HydrophobicContact CG-CB 4.46Å; F110-P117 HydrophobicContact CZ-CB 3.65Å; F110-P117 HydrophobicContact CZ-CG 4.07Å; L115-P117 VanDerWaalsContact O-CD 3.25Å; L115-P117 WeakPolarHBondContact O-CD 3.39Å
118	K	98.1	Very high	96.5	Very high	103 Å²	103	66.1 Å²	66.1	45%	0.448	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.4	157.8	-58.1	179	-170.4	169.2	0	109.2	Q108 W109 E136	Q108-K118 CarbonylContact C-O 3.6Å; Q108-K118 WeakPolarHBondContact CA-O 3.23Å; W109-K118 HydrophobicContact CB-CB 4.46Å; W109-K118 PolarHBondContact N-O 3.09Å; W109-K118 PolarHBondContact O-N 2.86Å; K118-E136 IonicContact NZ-OE1 3.43Å; K118-E136 IonicContact NZ-OE2 2.6Å; K118-E136 PolarHBondContact NZ-OE2 2.89Å
119	K	98.1	Very high	96.5	Very high	116 Å²	116	65.5 Å²	65.5	50%	0.504	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134	176.4	-168.3	173.3	175.3	-138.6	0	110.6	E121	K119-E121 WeakPolarHBondContact CD-OE1 3.33Å; K119-E121 WeakPolarHBondContact CE-OE1 3.37Å; K119-E121 WeakPolarHBondContact CG-OE1 3.49Å; K119-E121 IonicContact NZ-OE1 3.45Å; K119-E121 PolarHBondContact NZ-OE1 3.33Å
120	Y	98.3	Very high	96.4	Very high	25 Å²	25	65.5 Å²	65.5	10%	0.098	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-89	124.3	172.7	177.3	-99.2	0	0	0	110.5	I107 G122 Q123 A128 L129 Y132	I107-Y120 HydrophobicContact CB-CD1 4.24Å; I107-Y120 HydrophobicContact CD1-CD1 4.09Å; I107-Y120 HydrophobicContact CG2-CD1 4.32Å; I107-Y120 HydrophobicContact CG2-CG 4.36Å; I107-Y120 PolarHBondContact O-N 3.48Å; Y120-G122 VanDerWaalsContact CE1-C 3.41Å; Y120-G122 WeakPolarHBondContact CE1-O 3.31Å; Y120-G122 WeakPolarHBondContact OH-CA 3.35Å; Y120-Q123 PolarHBondContact OH-N 3.05Å; Y120-Q123 PolarHBondContact OH-O 2.69Å; Y120-A128 PolarHBondContact OH-O 2.73Å; Y120-L129 HydrophobicContact CD1-CD2 3.78Å; Y120-L129 HydrophobicContact CE1-CD2 3.38Å; Y120-L129 HydrophobicContact CE1-CG 4.38Å; Y120-L129 HydrophobicContact CE2-CD2 4.38Å; Y120-L129 HydrophobicContact CG-CD2 4.41Å; Y120-Y132 AromaticContact CD2-CD1 3.43Å; Y120-Y132 HydrophobicContact CD2-CD1 3.43Å; Y120-Y132 VanDerWaalsContact CD2-CD1 3.43Å; Y120-Y132 AromaticContact CD2-CD2 3.82Å; Y120-Y132 HydrophobicContact CD2-CD2 3.82Å; Y120-Y132 AromaticContact CD2-CE1 3.66Å; Y120-Y132 HydrophobicContact CD2-CE1 3.66Å; Y120-Y132 HydrophobicContact CD2-CE2 4.06Å; Y120-Y132 AromaticContact CD2-CG 3.51Å; Y120-Y132 HydrophobicContact CD2-CG 3.51Å; Y120-Y132 AromaticContact CD2-CZ 3.98Å; Y120-Y132 AromaticContact CE2-CD1 3.79Å; Y120-Y132 HydrophobicContact CE2-CD1 3.79Å; Y120-Y132 AromaticContact CE2-CD2 3.9Å; Y120-Y132 HydrophobicContact CE2-CD2 3.9Å; Y120-Y132 HydrophobicContact CE2-CE1 4.45Å; Y120-Y132 AromaticContact CE2-CG 3.47Å; Y120-Y132 HydrophobicContact CE2-CG 3.47Å; Y120-Y132 VanDerWaalsContact CE2-CG 3.47Å; Y120-Y132 HydrophobicContact CG-CD1 4.38Å; Y120-Y132 HydrophobicContact CG-CE1 4.4Å
121	E	96.5	Very high	96.3	Very high	144 Å²	144	72.4 Å²	72.4	67%	0.673	37%	0.373	S	S	*	.			trans	-114.2	6.4	-177.2	-64.9	-68.4	153.4	0	0	112.8	K119	K119-E121 WeakPolarHBondContact CD-OE1 3.33Å; K119-E121 WeakPolarHBondContact CE-OE1 3.37Å; K119-E121 WeakPolarHBondContact CG-OE1 3.49Å; K119-E121 IonicContact NZ-OE1 3.45Å; K119-E121 PolarHBondContact NZ-OE1 3.33Å
122	G	94.8	Very high	96.3	Very high	39 Å²	39	72.5 Å²	72.5	40%	0.402	37%	0.368	S	S	.	.	S	Bend	trans	-82.8	-170.3	-176.8	0	0	0	0	0	114.7	Y120	Y120-G122 VanDerWaalsContact CE1-C 3.41Å; Y120-G122 WeakPolarHBondContact CE1-O 3.31Å; Y120-G122 WeakPolarHBondContact OH-CA 3.35Å
123	Q	94	Very high	96.3	Very high	141 Å²	141	65.9 Å²	65.9	66%	0.659	34%	0.339	S	S	*	.			trans	-68.1	138.3	178	-67	-172.5	-7.8	0	0	111.8	Y120 T125 A128	Y120-Q123 PolarHBondContact OH-N 3.05Å; Y120-Q123 PolarHBondContact OH-O 2.69Å; Q123-T125 PolarHBondContact O-N 2.92Å; Q123-T125 VanDerWaalsContact O-N 3.08Å; Q123-A128 HydrophobicContact CB-CB 3.81Å; Q123-A128 WeakPolarHBondContact O-CB 3.4Å
124	R	95.3	Very high	96.3	Very high	112 Å²	112	64.5 Å²	64.5	42%	0.423	32%	0.319	S	S	.	.			trans	-89.5	50.3	-177.9	-62.7	176.6	-177.2	166.2	-5.4	112	L65 P105 I107	L65-R124 HydrophobicContact CD1-CB 3.91Å; P105-R124 PolarHBondContact O-NH2 3.45Å; I107-R124 HydrophobicContact CD1-CG 4.19Å
125	T	91.7	Very high	96.3	Very high	47 Å²	47	67.5 Å²	67.5	29%	0.288	34%	0.34	S	S	.	.	S	Bend	trans	-112	153.1	173	63.3	0	0	0	0	109.4	Q123 E127 A128 L129	Q123-T125 PolarHBondContact O-N 2.92Å; Q123-T125 VanDerWaalsContact O-N 3.08Å; T125-E127 PolarHBondContact O-N 3.17Å; T125-A128 PolarHBondContact O-N 2.77Å; T125-A128 WeakPolarHBondContact OG1-CB 3.48Å; T125-A128 PolarHBondContact OG1-N 3.33Å; T125-L129 WeakPolarHBondContact O-CB 3.46Å; T125-L129 WeakPolarHBondContact O-CD1 3.42Å; T125-L129 VanDerWaalsContact O-CG 3.25Å; T125-L129 WeakPolarHBondContact O-CG 3.22Å; T125-L129 PolarHBondContact O-N 3.46Å
126	A	92.7	Very high	96.3	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-56	-41	179.4	0	0	0	0	0	111	E68 K71 A130 I143	E68-A126 WeakPolarHBondContact O-CB 3.3Å; E68-A126 WeakPolarHBondContact OE2-CB 3.41Å; E68-A126 PolarHBondContact OE2-N 2.99Å; K71-A126 HydrophobicContact CB-CB 4.09Å; K71-A126 HydrophobicContact CD-CB 3.75Å; K71-A126 HydrophobicContact CG-CB 3.97Å; A126-A130 WeakPolarHBondContact O-CB 3.29Å; A126-A130 PolarHBondContact O-N 2.88Å; A126-I143 HydrophobicContact CB-CD1 3.74Å; A126-I143 HydrophobicContact CB-CG1 4.07Å; A126-I143 HydrophobicContact CB-CG2 4.44Å; A126-I143 WeakPolarHBondContact O-CD1 3.39Å
127	E	91.8	Very high	96.2	Very high	94 Å²	94	61.8 Å²	61.8	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-47.9	-179.5	-65.5	71.2	-153.6	0	0	112.3	K71 T125 A130 E131 I143	K71-E127 IonicContact NZ-OE1 3.29Å; K71-E127 PolarHBondContact NZ-OE1 3.09Å; T125-E127 PolarHBondContact O-N 3.17Å; E127-A130 PolarHBondContact O-N 3.49Å; E127-E131 PolarHBondContact O-N 3.03Å; E127-I143 HydrophobicContact CG-CG1 4.44Å
128	A	94.9	Very high	96	Very high	20 Å²	20	64 Å²	64	17%	0.165	34%	0.338	C	S	.	.	H	α-helix	trans	-69.6	-34.9	-179.3	0	0	0	0	0	112.2	Y120 Q123 T125 Y132	Y120-A128 PolarHBondContact OH-O 2.73Å; Q123-A128 HydrophobicContact CB-CB 3.81Å; Q123-A128 WeakPolarHBondContact O-CB 3.4Å; T125-A128 PolarHBondContact O-N 2.77Å; T125-A128 WeakPolarHBondContact OG1-CB 3.48Å; T125-A128 PolarHBondContact OG1-N 3.33Å; A128-Y132 WeakPolarHBondContact O-CB 3.43Å; A128-Y132 PolarHBondContact O-N 3.49Å; A128-Y132 VanDerWaalsContact O-N 3.14Å
129	L	97.8	Very high	95.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-68.5	-41.3	173	-67.2	166.5	0	0	0	111	L51 L65 Y69 L72 I107 Y120 T125 Y132 V133	L51-L129 HydrophobicContact CD2-CD2 4.18Å; L65-L129 HydrophobicContact CD1-CD1 4.11Å; Y69-L129 HydrophobicContact CD2-CD1 3.96Å; Y69-L129 HydrophobicContact CE2-CD1 4.43Å; L72-L129 HydrophobicContact CD1-CB 4.04Å; L72-L129 HydrophobicContact CD2-CB 3.71Å; L72-L129 HydrophobicContact CD2-CD1 4.18Å; L72-L129 HydrophobicContact CG-CB 4.44Å; I107-L129 HydrophobicContact CD1-CD2 3.85Å; I107-L129 HydrophobicContact CG2-CD2 4.44Å; Y120-L129 HydrophobicContact CD1-CD2 3.78Å; Y120-L129 HydrophobicContact CE1-CD2 3.38Å; Y120-L129 HydrophobicContact CE1-CG 4.38Å; Y120-L129 HydrophobicContact CE2-CD2 4.38Å; Y120-L129 HydrophobicContact CG-CD2 4.41Å; T125-L129 WeakPolarHBondContact O-CB 3.46Å; T125-L129 WeakPolarHBondContact O-CD1 3.42Å; T125-L129 VanDerWaalsContact O-CG 3.25Å; T125-L129 WeakPolarHBondContact O-CG 3.22Å; T125-L129 PolarHBondContact O-N 3.46Å; L129-Y132 PolarHBondContact O-N 3.45Å; L129-V133 WeakPolarHBondContact O-CB 3.26Å; L129-V133 VanDerWaalsContact O-CG2 3.24Å; L129-V133 WeakPolarHBondContact O-CG2 3.3Å; L129-V133 PolarHBondContact O-N 3.47Å
130	A	96.3	Very high	95.7	Very high	4 Å²	4	61.8 Å²	61.8	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-42.3	177.5	0	0	0	0	0	112.2	L72 F76 A126 E127 Y132 V133 N134 I143	L72-A130 HydrophobicContact CD1-CB 3.77Å; F76-A130 HydrophobicContact CE2-CB 3.8Å; F76-A130 HydrophobicContact CZ-CB 4.37Å; A126-A130 WeakPolarHBondContact O-CB 3.29Å; A126-A130 PolarHBondContact O-N 2.88Å; E127-A130 PolarHBondContact O-N 3.49Å; A130-Y132 VanDerWaalsContact C-N 3.34Å; A130-V133 PolarHBondContact O-N 2.88Å; A130-N134 VanDerWaalsContact O-CB 3.23Å; A130-N134 WeakPolarHBondContact O-CB 3.45Å; A130-N134 PolarHBondContact O-N 2.95Å; A130-N134 PolarHBondContact O-ND2 3.33Å; A130-I143 HydrophobicContact CB-CD1 3.62Å; A130-I143 HydrophobicContact CB-CG1 3.67Å
131	E	96.8	Very high	95.5	Very high	145 Å²	145	61.8 Å²	61.8	68%	0.678	34%	0.341	S	S	*	.	H	α-helix	trans	-58.6	-46.9	174	-175.6	176.4	-172.4	0	0	111.3	E127 N134 S135	E127-E131 PolarHBondContact O-N 3.03Å; E131-N134 PolarHBondContact O-N 3.36Å; E131-S135 WeakPolarHBondContact O-CB 3.28Å; E131-S135 PolarHBondContact O-N 3.11Å
132	Y	98.2	Very high	95.2	Very high	43 Å²	43	63.2 Å²	63.2	17%	0.169	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-48.1	177.1	177.4	-106.3	0	0	0	112.6	L51 W109 Y120 A128 L129 A130 N134 S135 E136	L51-Y132 HydrophobicContact CD1-CD1 4.24Å; L51-Y132 HydrophobicContact CD1-CE1 4.06Å; W109-Y132 HydrophobicContact CB-CE1 3.92Å; W109-Y132 HydrophobicContact CG-CE1 4.34Å; Y120-Y132 AromaticContact CD2-CD1 3.43Å; Y120-Y132 HydrophobicContact CD2-CD1 3.43Å; Y120-Y132 VanDerWaalsContact CD2-CD1 3.43Å; Y120-Y132 AromaticContact CD2-CD2 3.82Å; Y120-Y132 HydrophobicContact CD2-CD2 3.82Å; Y120-Y132 AromaticContact CD2-CE1 3.66Å; Y120-Y132 HydrophobicContact CD2-CE1 3.66Å; Y120-Y132 HydrophobicContact CD2-CE2 4.06Å; Y120-Y132 AromaticContact CD2-CG 3.51Å; Y120-Y132 HydrophobicContact CD2-CG 3.51Å; Y120-Y132 AromaticContact CD2-CZ 3.98Å; Y120-Y132 AromaticContact CE2-CD1 3.79Å; Y120-Y132 HydrophobicContact CE2-CD1 3.79Å; Y120-Y132 AromaticContact CE2-CD2 3.9Å; Y120-Y132 HydrophobicContact CE2-CD2 3.9Å; Y120-Y132 HydrophobicContact CE2-CE1 4.45Å; Y120-Y132 AromaticContact CE2-CG 3.47Å; Y120-Y132 HydrophobicContact CE2-CG 3.47Å; Y120-Y132 VanDerWaalsContact CE2-CG 3.47Å; Y120-Y132 HydrophobicContact CG-CD1 4.38Å; Y120-Y132 HydrophobicContact CG-CE1 4.4Å; A128-Y132 WeakPolarHBondContact O-CB 3.43Å; A128-Y132 PolarHBondContact O-N 3.49Å; A128-Y132 VanDerWaalsContact O-N 3.14Å; L129-Y132 PolarHBondContact O-N 3.45Å; A130-Y132 VanDerWaalsContact C-N 3.34Å; Y132-N134 PolarHBondContact O-N 3.33Å; Y132-S135 WeakPolarHBondContact O-CB 3.29Å; Y132-S135 PolarHBondContact O-N 3.33Å; Y132-E136 HydrophobicContact CD2-CG 4.32Å; Y132-E136 HydrophobicContact CE1-CG 4.19Å; Y132-E136 HydrophobicContact CE2-CG 3.79Å; Y132-E136 PolarHBondContact O-N 2.86Å
133	V	98.1	Very high	94.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-41.5	177.6	173.9	0	0	0	0	111.2	L51 F76 V82 I84 W109 L129 A130 S135 E136 A137	L51-V133 HydrophobicContact CB-CG2 4.19Å; L51-V133 HydrophobicContact CD1-CG2 4.39Å; L51-V133 HydrophobicContact CD2-CG2 3.76Å; L51-V133 HydrophobicContact CG-CG2 4.34Å; F76-V133 HydrophobicContact CD1-CG1 3.9Å; F76-V133 HydrophobicContact CE1-CB 4.08Å; F76-V133 HydrophobicContact CE1-CG1 3.27Å; F76-V133 HydrophobicContact CE2-CB 4.38Å; F76-V133 HydrophobicContact CE2-CG1 4.28Å; F76-V133 HydrophobicContact CZ-CB 3.75Å; F76-V133 HydrophobicContact CZ-CG1 3.49Å; F76-V133 VanDerWaalsContact CZ-CG1 3.49Å; V82-V133 HydrophobicContact CG1-CG1 3.64Å; V82-V133 HydrophobicContact CG2-CG1 4.12Å; I84-V133 HydrophobicContact CD1-CG2 4.45Å; W109-V133 HydrophobicContact CH2-CG1 4.33Å; W109-V133 HydrophobicContact CZ3-CG1 4.11Å; W109-V133 HydrophobicContact CZ3-CG2 4.25Å; L129-V133 WeakPolarHBondContact O-CB 3.26Å; L129-V133 VanDerWaalsContact O-CG2 3.24Å; L129-V133 WeakPolarHBondContact O-CG2 3.3Å; L129-V133 PolarHBondContact O-N 3.47Å; A130-V133 PolarHBondContact O-N 2.88Å; V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 PolarHBondContact O-N 3.43Å; V133-E136 PolarHBondContact O-N 3.06Å; V133-A137 WeakPolarHBondContact O-CB 3.43Å; V133-A137 PolarHBondContact O-N 3.42Å
134	N	97.8	Very high	93.4	Very high	27 Å²	27	58.4 Å²	58.4	14%	0.144	32%	0.321	C	S	.	.	H	α-helix	trans	-58.9	-43.6	175.7	-78.8	-33.7	0	0	0	111.7	A130 E131 Y132 A138 T139 N140 V141	A130-N134 VanDerWaalsContact O-CB 3.23Å; A130-N134 WeakPolarHBondContact O-CB 3.45Å; A130-N134 PolarHBondContact O-N 2.95Å; A130-N134 PolarHBondContact O-ND2 3.33Å; E131-N134 PolarHBondContact O-N 3.36Å; Y132-N134 PolarHBondContact O-N 3.33Å; N134-A138 CarbonylContact O-C 3.59Å; N134-A138 VanDerWaalsContact O-CA 3.29Å; N134-A138 WeakPolarHBondContact O-CA 3.34Å; N134-A138 PolarHBondContact O-N 3.39Å; N134-T139 WeakPolarHBondContact CA-OG1 3.31Å; N134-T139 VanDerWaalsContact CB-O 3.29Å; N134-T139 WeakPolarHBondContact CB-O 3.2Å; N134-T139 PolarHBondContact O-N 3.3Å; N134-T139 VanDerWaalsContact OD1-C 3.24Å; N134-T139 PolarHBondContact OD1-O 3.24Å; N134-T139 PolarHBondContact OD1-OG1 3.46Å; N134-N140 PolarHBondContact OD1-N 3.38Å; N134-V141 PolarHBondContact ND2-O 2.87Å; N134-V141 PolarHBondContact OD1-N 3.01Å
135	S	97.3	Very high	91.9	Very high	94 Å²	94	57 Å²	57	66%	0.657	33%	0.334	S	S	*	.	H	α-helix	trans	-63.8	-51.8	176.8	-177.9	0	0	0	0	112.1	E131 Y132 V133	E131-S135 WeakPolarHBondContact O-CB 3.28Å; E131-S135 PolarHBondContact O-N 3.11Å; Y132-S135 WeakPolarHBondContact O-CB 3.29Å; Y132-S135 PolarHBondContact O-N 3.33Å; V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 PolarHBondContact O-N 3.43Å
136	E	97.4	Very high	90.6	Very high	69 Å²	69	59.7 Å²	59.7	32%	0.322	35%	0.35	S	S	.	.	H	α-helix	trans	-72.1	-31.2	-176.5	-72.1	-74.1	147.1	0	0	113.3	W109 K118 Y132 V133	W109-E136 HydrophobicContact CD2-CB 4.13Å; W109-E136 VanDerWaalsContact CE2-CB 3.47Å; W109-E136 HydrophobicContact CG-CB 4.5Å; W109-E136 HydrophobicContact CG-CG 4.43Å; W109-E136 HydrophobicContact CH2-CB 4.41Å; W109-E136 HydrophobicContact CZ2-CB 3.61Å; W109-E136 PolarHBondContact NE1-OE2 3Å; K118-E136 IonicContact NZ-OE1 3.43Å; K118-E136 IonicContact NZ-OE2 2.6Å; K118-E136 PolarHBondContact NZ-OE2 2.89Å; Y132-E136 HydrophobicContact CD2-CG 4.32Å; Y132-E136 HydrophobicContact CE1-CG 4.19Å; Y132-E136 HydrophobicContact CE2-CG 3.79Å; Y132-E136 PolarHBondContact O-N 2.86Å; V133-E136 PolarHBondContact O-N 3.06Å
137	A	96.1	Very high	89.5	Confident	25 Å²	25	64.7 Å²	64.7	21%	0.207	38%	0.382	C	S	.	.	H	α-helix	trans	-96.3	-2.1	-177.8	0	0	0	0	0	114.1	V82 W109 V133 T139	V82-A137 HydrophobicContact CG2-CB 3.52Å; W109-A137 HydrophobicContact CH2-CB 3.82Å; W109-A137 HydrophobicContact CZ2-CB 4.11Å; V133-A137 WeakPolarHBondContact O-CB 3.43Å; V133-A137 PolarHBondContact O-N 3.42Å; A137-T139 VanDerWaalsContact C-N 3.29Å; A137-T139 HydrophobicContact CB-CG2 3.97Å; A137-T139 PolarHBondContact O-N 2.59Å
138	A	94.8	Very high	89.3	Confident	96 Å²	96	63.2 Å²	63.2	79%	0.793	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	47.3	-170	0	0	0	0	0	112.6	N134	N134-A138 CarbonylContact O-C 3.59Å; N134-A138 VanDerWaalsContact O-CA 3.29Å; N134-A138 WeakPolarHBondContact O-CA 3.34Å; N134-A138 PolarHBondContact O-N 3.39Å
139	T	94.7	Very high	89.1	Confident	32 Å²	32	63.5 Å²	63.5	20%	0.196	38%	0.383	C	S	.	.			trans	-112.9	170.8	177.2	58	0	0	0	0	111.3	V82 N134 A137	V82-T139 HydrophobicContact CG2-CG2 4.25Å; N134-T139 WeakPolarHBondContact CA-OG1 3.31Å; N134-T139 VanDerWaalsContact CB-O 3.29Å; N134-T139 WeakPolarHBondContact CB-O 3.2Å; N134-T139 PolarHBondContact O-N 3.3Å; N134-T139 VanDerWaalsContact OD1-C 3.24Å; N134-T139 PolarHBondContact OD1-O 3.24Å; N134-T139 PolarHBondContact OD1-OG1 3.46Å; A137-T139 VanDerWaalsContact C-N 3.29Å; A137-T139 HydrophobicContact CB-CG2 3.97Å; A137-T139 PolarHBondContact O-N 2.59Å
140	N	94.5	Very high	89.1	Confident	140 Å²	140	64 Å²	64	75%	0.749	39%	0.386	S	S	*	.			trans	-136.8	52.3	177.8	-170.5	7.8	0	0	0	110.2	N134	N134-N140 PolarHBondContact OD1-N 3.38Å
141	V	93.4	Very high	89.1	Confident	26 Å²	26	66.5 Å²	66.5	16%	0.158	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-81	122.7	176.5	176.8	0	0	0	0	108.5	S75 F76 A79 N134	S75-V141 WeakPolarHBondContact O-CG1 3.31Å; F76-V141 HydrophobicContact CD1-CB 4Å; F76-V141 HydrophobicContact CD1-CG1 4.17Å; F76-V141 HydrophobicContact CD1-CG2 3.69Å; F76-V141 HydrophobicContact CD2-CB 4.29Å; F76-V141 HydrophobicContact CD2-CG1 3.8Å; F76-V141 HydrophobicContact CE1-CB 3.59Å; F76-V141 HydrophobicContact CE1-CG1 4.15Å; F76-V141 HydrophobicContact CE1-CG2 3.54Å; F76-V141 HydrophobicContact CE2-CB 3.91Å; F76-V141 HydrophobicContact CE2-CG1 3.79Å; F76-V141 HydrophobicContact CG-CB 4.33Å; F76-V141 HydrophobicContact CG-CG1 4Å; F76-V141 HydrophobicContact CG-CG2 4.32Å; F76-V141 HydrophobicContact CZ-CB 3.56Å; F76-V141 HydrophobicContact CZ-CG1 3.98Å; F76-V141 HydrophobicContact CZ-CG2 4.08Å; A79-V141 HydrophobicContact CB-CG2 3.81Å; N134-V141 PolarHBondContact ND2-O 2.87Å; N134-V141 PolarHBondContact OD1-N 3.01Å
142	K	90	Very high	89.1	Confident	173 Å²	173	63.9 Å²	63.9	75%	0.752	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-85.3	141.7	168.5	-64.2	-176.7	179.3	-176.9	0	108.5	A144	K142-A144 PolarHBondContact O-N 3.23Å
143	I	84.8	Confident	89.1	Confident	27 Å²	27	62 Å²	62	14%	0.138	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-53.5	128.4	166.9	-74	-56.8	0	0	0	108.4	K71 L72 S75 A126 E127 A130 A145	K71-I143 HydrophobicContact CD-CG2 4.03Å; K71-I143 HydrophobicContact CG-CG2 3.94Å; L72-I143 HydrophobicContact CD1-CD1 4.04Å; S75-I143 WeakPolarHBondContact OG-CA 3.42Å; S75-I143 WeakPolarHBondContact OG-CD1 3.38Å; A126-I143 HydrophobicContact CB-CD1 3.74Å; A126-I143 HydrophobicContact CB-CG1 4.07Å; A126-I143 HydrophobicContact CB-CG2 4.44Å; A126-I143 WeakPolarHBondContact O-CD1 3.39Å; E127-I143 HydrophobicContact CG-CG1 4.44Å; A130-I143 HydrophobicContact CB-CD1 3.62Å; A130-I143 HydrophobicContact CB-CG1 3.67Å; I143-A145 VanDerWaalsContact C-N 3.31Å; I143-A145 PolarHBondContact O-N 3.5Å
144	A	67.6	Low	89.1	Confident	53 Å²	53	64.2 Å²	64.2	44%	0.438	40%	0.401	S	S	.	.			trans	-58.8	101.4	169.5	0	0	0	0	0	106.5	S75 K142 V146	S75-A144 PolarHBondContact OG-N 3.34Å; K142-A144 PolarHBondContact O-N 3.23Å; A144-V146 PolarHBondContact O-N 3.02Å; A144-V146 VanDerWaalsContact O-N 3.07Å
145	A	62.3	Low	89.1	Confident	83 Å²	83	65.6 Å²	65.6	69%	0.686	41%	0.412	S	S	*	.			trans	-57.8	119	167.9	0	0	0	0	0	105.5	I143 P147	I143-A145 VanDerWaalsContact C-N 3.31Å; I143-A145 PolarHBondContact O-N 3.5Å; A145-P147 WeakPolarHBondContact O-CD 3.46Å; A145-P147 VanDerWaalsContact O-N 3.11Å
146	V	64.5	Low	89.1	Confident	103 Å²	103	68.4 Å²	68.4	62%	0.624	41%	0.414	S	S	*	.			trans	-51.1	124.6	162.9	-179.8	0	0	0	0	104.7	A144 S148	A144-V146 PolarHBondContact O-N 3.02Å; A144-V146 VanDerWaalsContact O-N 3.07Å; V146-S148 PolarHBondContact O-N 3.45Å
147	P	70.8	Confident	89.1	Confident	104 Å²	104	67.5 Å²	67.5	68%	0.675	41%	0.413	S	S	*	.			trans	-54.3	108.2	-179.3	-25.9	33.6	0	0	0	108.8	A145 S149	A145-P147 WeakPolarHBondContact O-CD 3.46Å; A145-P147 VanDerWaalsContact O-N 3.11Å; P147-S149 PolarHBondContact O-N 3.45Å
148	S	86.3	Confident	89.2	Confident	64 Å²	64	66.3 Å²	66.3	45%	0.448	40%	0.404	S	S	.	.			trans	-69.2	130.6	178.1	172.1	0	0	0	0	108.4	V146 V150 E189	V146-S148 PolarHBondContact O-N 3.45Å; S148-V150 WeakPolarHBondContact OG-CB 3.48Å; S148-V150 PolarHBondContact OG-N 3.45Å; S148-V150 PolarHBondContact OG-O 3.27Å; S148-E189 VanDerWaalsContact CA-OE1 3.28Å; S148-E189 WeakPolarHBondContact CA-OE1 3.35Å; S148-E189 PolarHBondContact OG-OE2 3.44Å; S148-E189 VanDerWaalsContact OG-OE2 3.07Å
149	S	91.9	Very high	89.4	Confident	25 Å²	25	65.5 Å²	65.5	18%	0.175	39%	0.386	C	S	.	.			trans	-88.7	-12.6	165.4	-53.8	0	0	0	0	110.9	P147 E189 A192 K196	P147-S149 PolarHBondContact O-N 3.45Å; S149-E189 PolarHBondContact N-OE1 3.15Å; S149-A192 VanDerWaalsContact C-CB 3.43Å; S149-K196 PolarHBondContact OG-NZ 3.05Å
150	V	97.3	Very high	89.5	Confident	12 Å²	12	68 Å²	68	7%	0.073	41%	0.405	C	S	.	.	S	Bend	trans	-70.8	129.5	171.8	-178.1	0	0	0	0	109.5	S148 Y188 E189 A192 I203 N205	S148-V150 WeakPolarHBondContact OG-CB 3.48Å; S148-V150 PolarHBondContact OG-N 3.45Å; S148-V150 PolarHBondContact OG-O 3.27Å; V150-Y188 HydrophobicContact CG1-CD1 4.04Å; V150-Y188 HydrophobicContact CG1-CE1 4.02Å; V150-Y188 HydrophobicContact CG2-CD1 3.86Å; V150-Y188 HydrophobicContact CG2-CE1 4.46Å; V150-E189 WeakPolarHBondContact CG2-OE2 3.41Å; V150-A192 HydrophobicContact CB-CB 4.33Å; V150-A192 HydrophobicContact CG2-CB 3.58Å; V150-I203 WeakPolarHBondContact CA-O 3.41Å; V150-N205 HydrophobicContact CG1-CB 4Å
151	V	97.3	Very high	89.7	Confident	56 Å²	56	62.6 Å²	62.6	34%	0.339	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	116.1	174.5	178.7	0	0	0	0	109.5	L153 V161 V202 I203 A204 N205	V151-L153 HydrophobicContact CG1-CD2 4.17Å; V151-L153 PolarHBondContact O-N 2.95Å; V151-V161 HydrophobicContact CG1-CG1 4.29Å; V151-V161 HydrophobicContact CG1-CG2 4.45Å; V151-V202 HydrophobicContact CB-CG1 4.13Å; V151-V202 HydrophobicContact CG2-CG1 3.82Å; V151-I203 PolarHBondContact N-O 2.75Å; V151-A204 HydrophobicContact CB-CB 4.07Å; V151-A204 CarbonylContact O-C 3.56Å; V151-A204 WeakPolarHBondContact O-CA 3.47Å; V151-A204 VanDerWaalsContact O-CB 3.3Å; V151-A204 WeakPolarHBondContact O-CB 3.35Å; V151-N205 PolarHBondContact O-N 3.15Å
152	V	96.8	Very high	89.9	Confident	90 Å²	90	61.4 Å²	61.4	55%	0.545	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.2	176.2	-176	0	0	0	0	109.5	N205	V152-N205 WeakPolarHBondContact CA-OD1 3.29Å
153	L	98.2	Very high	90.3	Very high	3 Å²	3	56 Å²	56	2%	0.016	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-88.7	147.1	178	-56.9	176.1	0	0	0	110.9	V151 F158 V161 V162 V171 A204 N205 L206	V151-L153 HydrophobicContact CG1-CD2 4.17Å; V151-L153 PolarHBondContact O-N 2.95Å; L153-F158 HydrophobicContact CB-CD2 4.28Å; L153-F158 HydrophobicContact CD1-CD2 3.68Å; L153-F158 HydrophobicContact CD1-CE2 3.92Å; L153-V161 HydrophobicContact CD2-CB 3.79Å; L153-V161 HydrophobicContact CD2-CG1 3.85Å; L153-V161 HydrophobicContact CD2-CG2 4.13Å; L153-V162 HydrophobicContact CD1-CG2 3.59Å; L153-V162 HydrophobicContact CD2-CG2 4.37Å; L153-V171 HydrophobicContact CD1-CG1 3.8Å; L153-V171 HydrophobicContact CD1-CG2 4Å; L153-A204 HydrophobicContact CD1-CB 3.86Å; L153-A204 HydrophobicContact CD2-CB 4.21Å; L153-A204 HydrophobicContact CG-CB 3.92Å; L153-N205 WeakPolarHBondContact CB-O 3.36Å; L153-N205 PolarHBondContact N-O 3.47Å; L153-L206 HydrophobicContact CB-CB 4.27Å; L153-L206 HydrophobicContact CB-CD1 4.02Å; L153-L206 VanDerWaalsContact O-CD1 3.29Å; L153-L206 WeakPolarHBondContact O-CD1 3.37Å
154	T	96.9	Very high	90.9	Very high	46 Å²	46	56.5 Å²	56.5	28%	0.282	35%	0.352	S	S	.	.			trans	-130.7	167.6	167.1	73	0	0	0	0	108	E156 T157 F158	T154-E156 WeakPolarHBondContact CB-OE2 3.46Å; T154-E156 PolarHBondContact O-N 3.24Å; T154-E156 VanDerWaalsContact O-N 3.1Å; T154-E156 PolarHBondContact OG1-N 3.3Å; T154-E156 PolarHBondContact OG1-OE2 3.3Å; T154-T157 PolarHBondContact N-OG1 3.3Å; T154-T157 PolarHBondContact O-N 3.17Å; T154-T157 PolarHBondContact O-OG1 2.99Å; T154-T157 PolarHBondContact OG1-N 3.4Å; T154-T157 PolarHBondContact OG1-OG1 2.94Å; T154-F158 WeakPolarHBondContact O-CB 3.34Å; T154-F158 PolarHBondContact O-N 3.4Å
155	P	97.5	Very high	92.3	Very high	57 Å²	57	60.5 Å²	60.5	37%	0.37	36%	0.361	S	S	.	.	H	α-helix	trans	-52.6	-32.4	174.8	-28.5	37.1	0	0	0	113.7	H211	P155-H211 WeakPolarHBondContact CD-CE1 3.25Å; P155-H211 WeakPolarHBondContact CD-ND1 2.94Å; P155-H211 HydrophobicContact CG-CB 4.35Å; P155-H211 VanDerWaalsContact CG-ND1 3.3Å; P155-H211 WeakPolarHBondContact CG-ND1 3.46Å
156	E	97.6	Very high	93.9	Very high	152 Å²	152	61.1 Å²	61.1	71%	0.71	36%	0.357	S	S	*	.	H	α-helix	trans	-76.2	-28	180	-55	74.1	-158.2	0	0	113.1	T154	T154-E156 WeakPolarHBondContact CB-OE2 3.46Å; T154-E156 PolarHBondContact O-N 3.24Å; T154-E156 VanDerWaalsContact O-N 3.1Å; T154-E156 PolarHBondContact OG1-N 3.3Å; T154-E156 PolarHBondContact OG1-OE2 3.3Å
157	T	98.2	Very high	95.5	Very high	50 Å²	50	59.1 Å²	59.1	31%	0.307	34%	0.34	S	S	.	.	H	α-helix	trans	-105.8	-15.9	-176.5	62.8	0	0	0	0	113.7	T154 D159 S160 V161	T154-T157 PolarHBondContact N-OG1 3.3Å; T154-T157 PolarHBondContact O-N 3.17Å; T154-T157 PolarHBondContact O-OG1 2.99Å; T154-T157 PolarHBondContact OG1-N 3.4Å; T154-T157 PolarHBondContact OG1-OG1 2.94Å; T157-D159 PolarHBondContact O-N 2.94Å; T157-S160 PolarHBondContact O-N 2.8Å; T157-S160 PolarHBondContact O-OG 2.76Å; T157-S160 VanDerWaalsContact O-OG 3.11Å; T157-V161 WeakPolarHBondContact O-CG2 3.25Å; T157-V161 PolarHBondContact O-N 3.08Å; T157-V161 VanDerWaalsContact O-N 3.16Å
158	F	98.4	Very high	96.8	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-54.8	-55.5	-174.6	-172.1	-77.8	0	0	0	111.4	L153 T154 S160 V161 V162 V171 F173 L206 L214 Y218 F229	L153-F158 HydrophobicContact CB-CD2 4.28Å; L153-F158 HydrophobicContact CD1-CD2 3.68Å; L153-F158 HydrophobicContact CD1-CE2 3.92Å; T154-F158 WeakPolarHBondContact O-CB 3.34Å; T154-F158 PolarHBondContact O-N 3.4Å; F158-S160 PolarHBondContact O-N 2.93Å; F158-V161 PolarHBondContact O-N 3.5Å; F158-V162 HydrophobicContact CD1-CB 3.97Å; F158-V162 HydrophobicContact CD1-CG2 3.97Å; F158-V162 HydrophobicContact CD2-CG2 4.08Å; F158-V162 HydrophobicContact CE1-CB 3.62Å; F158-V162 HydrophobicContact CE1-CG1 3.68Å; F158-V162 HydrophobicContact CE1-CG2 3.74Å; F158-V162 HydrophobicContact CE2-CG2 3.93Å; F158-V162 HydrophobicContact CG-CG2 4.11Å; F158-V162 HydrophobicContact CZ-CB 4.05Å; F158-V162 HydrophobicContact CZ-CG1 3.87Å; F158-V162 HydrophobicContact CZ-CG2 3.75Å; F158-V162 VanDerWaalsContact O-CB 3.24Å; F158-V162 WeakPolarHBondContact O-CB 3.42Å; F158-V162 WeakPolarHBondContact O-CG2 3.26Å; F158-V162 PolarHBondContact O-N 2.83Å; F158-V171 HydrophobicContact CE2-CG1 4.41Å; F158-F173 HydrophobicContact CE2-CE1 4.15Å; F158-F173 AromaticContact CE2-CZ 3.92Å; F158-F173 HydrophobicContact CE2-CZ 3.92Å; F158-F173 HydrophobicContact CZ-CZ 4.12Å; F158-L206 HydrophobicContact CD2-CD2 4.24Å; F158-L206 HydrophobicContact CE2-CD2 4.29Å; F158-L214 HydrophobicContact CB-CD2 3.86Å; F158-L214 HydrophobicContact CD1-CD1 4.14Å; F158-L214 HydrophobicContact CD2-CD1 4.27Å; F158-L214 HydrophobicContact CD2-CD2 3.61Å; F158-L214 HydrophobicContact CD2-CG 4.13Å; F158-L214 HydrophobicContact CE1-CD1 4.43Å; F158-L214 HydrophobicContact CE2-CD1 4.48Å; F158-L214 HydrophobicContact CE2-CD2 4.33Å; F158-L214 HydrophobicContact CE2-CG 4.4Å; F158-L214 HydrophobicContact CG-CD1 4.08Å; F158-L214 HydrophobicContact CG-CD2 3.78Å; F158-L214 HydrophobicContact CG-CG 4.36Å; F158-Y218 HydrophobicContact CD1-CE2 4.2Å; F158-Y218 HydrophobicContact CE1-CD2 4.29Å; F158-Y218 AromaticContact CE1-CE2 3.28Å; F158-Y218 HydrophobicContact CE1-CE2 3.28Å; F158-Y218 AromaticContact CE1-CZ 3.52Å; F158-Y218 VanDerWaalsContact CE1-OH 3.29Å; F158-Y218 WeakPolarHBondContact CE1-OH 3.38Å; F158-Y218 HydrophobicContact CE2-CE2 4.25Å; F158-Y218 AromaticContact CZ-CD2 3.86Å; F158-Y218 HydrophobicContact CZ-CD2 3.86Å; F158-Y218 AromaticContact CZ-CE2 3.29Å; F158-Y218 HydrophobicContact CZ-CE2 3.29Å; F158-Y218 AromaticContact CZ-CZ 3.83Å; F158-F229 HydrophobicContact CZ-CZ 4.2Å
159	D	97.6	Very high	97.4	Very high	78 Å²	78	51.5 Å²	51.5	42%	0.417	29%	0.288	S	S	.	.	H	α-helix	trans	-65.7	-40.1	-172.9	-75.8	-1.8	0	0	0	111.8	T157 V161 L163 K217	T157-D159 PolarHBondContact O-N 2.94Å; D159-V161 VanDerWaalsContact C-N 3.3Å; D159-V161 PolarHBondContact O-N 3.39Å; D159-L163 HydrophobicContact CB-CD1 3.82Å; D159-L163 HydrophobicContact CB-CG 4.33Å; D159-L163 WeakPolarHBondContact O-CA 3.41Å; D159-L163 WeakPolarHBondContact O-CB 3.45Å; D159-L163 PolarHBondContact O-N 3.25Å; D159-K217 IonicContact OD1-NZ 2.66Å
160	S	97.8	Very high	97.7	Very high	85 Å²	85	50.3 Å²	50.3	59%	0.594	28%	0.28	S	S	*	.	H	α-helix	trans	-69.7	-26	-179.1	63.9	0	0	0	0	113.8	T157 F158	T157-S160 PolarHBondContact O-N 2.8Å; T157-S160 PolarHBondContact O-OG 2.76Å; T157-S160 VanDerWaalsContact O-OG 3.11Å; F158-S160 PolarHBondContact O-N 2.93Å
161	V	98	Very high	97.8	Very high	27 Å²	27	49.8 Å²	49.8	16%	0.164	28%	0.276	C	S	.	.	H	α-helix	trans	-90.5	-52.4	176.7	176.4	0	0	0	0	111.1	V151 L153 T157 F158 D159 V202	V151-V161 HydrophobicContact CG1-CG1 4.29Å; V151-V161 HydrophobicContact CG1-CG2 4.45Å; L153-V161 HydrophobicContact CD2-CB 3.79Å; L153-V161 HydrophobicContact CD2-CG1 3.85Å; L153-V161 HydrophobicContact CD2-CG2 4.13Å; T157-V161 WeakPolarHBondContact O-CG2 3.25Å; T157-V161 PolarHBondContact O-N 3.08Å; T157-V161 VanDerWaalsContact O-N 3.16Å; F158-V161 PolarHBondContact O-N 3.5Å; D159-V161 VanDerWaalsContact C-N 3.3Å; D159-V161 PolarHBondContact O-N 3.39Å; V161-V202 HydrophobicContact CG1-CG1 3.93Å
162	V	98.5	Very high	97.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-76.6	-39.7	-169.8	179.8	0	0	0	0	111.6	L153 F158 D164 V169 V171 F229 K234	L153-V162 HydrophobicContact CD1-CG2 3.59Å; L153-V162 HydrophobicContact CD2-CG2 4.37Å; F158-V162 HydrophobicContact CD1-CB 3.97Å; F158-V162 HydrophobicContact CD1-CG2 3.97Å; F158-V162 HydrophobicContact CD2-CG2 4.08Å; F158-V162 HydrophobicContact CE1-CB 3.62Å; F158-V162 HydrophobicContact CE1-CG1 3.68Å; F158-V162 HydrophobicContact CE1-CG2 3.74Å; F158-V162 HydrophobicContact CE2-CG2 3.93Å; F158-V162 HydrophobicContact CG-CG2 4.11Å; F158-V162 HydrophobicContact CZ-CB 4.05Å; F158-V162 HydrophobicContact CZ-CG1 3.87Å; F158-V162 HydrophobicContact CZ-CG2 3.75Å; F158-V162 VanDerWaalsContact O-CB 3.24Å; F158-V162 WeakPolarHBondContact O-CB 3.42Å; F158-V162 WeakPolarHBondContact O-CG2 3.26Å; F158-V162 PolarHBondContact O-N 2.83Å; V162-D164 VanDerWaalsContact C-N 3.31Å; V162-D164 PolarHBondContact O-N 2.88Å; V162-V169 HydrophobicContact CG2-CG1 4.22Å; V162-V171 HydrophobicContact CG1-CG2 4.41Å; V162-V171 HydrophobicContact CG2-CG2 3.84Å; V162-F229 HydrophobicContact CG1-CB 3.94Å; V162-F229 HydrophobicContact CG1-CD1 3.45Å; V162-F229 VanDerWaalsContact CG1-CD1 3.45Å; V162-F229 HydrophobicContact CG1-CD2 3.5Å; V162-F229 HydrophobicContact CG1-CE1 3.72Å; V162-F229 HydrophobicContact CG1-CE2 3.77Å; V162-F229 HydrophobicContact CG1-CG 3.34Å; V162-F229 HydrophobicContact CG1-CZ 3.87Å; V162-K234 WeakPolarHBondContact O-CD 3.41Å; V162-K234 WeakPolarHBondContact O-CE 3.38Å; V162-K234 PolarHBondContact O-NZ 2.91Å
163	L	97.7	Very high	97.9	Very high	59 Å²	59	43 Å²	43	31%	0.309	24%	0.235	S	C	.	.	S	Bend	trans	-88.1	4.7	-177.1	-48	179.7	0	0	0	113.3	D159 E165 K234	D159-L163 HydrophobicContact CB-CD1 3.82Å; D159-L163 HydrophobicContact CB-CG 4.33Å; D159-L163 WeakPolarHBondContact O-CA 3.41Å; D159-L163 WeakPolarHBondContact O-CB 3.45Å; D159-L163 PolarHBondContact O-N 3.25Å; L163-E165 PolarHBondContact O-N 3.1Å; L163-K234 HydrophobicContact CD2-CB 3.83Å
164	D	97.6	Very high	97.9	Very high	39 Å²	39	45.5 Å²	45.5	21%	0.209	25%	0.245	C	C	.	.			trans	-63.4	105.3	170.1	-176.2	-15.9	0	0	0	109.9	V162 T166 K167 K234	V162-D164 VanDerWaalsContact C-N 3.31Å; V162-D164 PolarHBondContact O-N 2.88Å; D164-T166 PolarHBondContact O-N 2.98Å; D164-T166 WeakPolarHBondContact OD1-CB 3.47Å; D164-T166 PolarHBondContact OD1-N 3.08Å; D164-T166 PolarHBondContact OD1-OG1 2.89Å; D164-T166 PolarHBondContact OD2-OG1 2.93Å; D164-K167 HydrophobicContact CB-CB 4.47Å; D164-K167 HydrophobicContact CB-CD 4.43Å; D164-K167 HydrophobicContact CB-CG 4.39Å; D164-K167 PolarHBondContact O-N 3.27Å; D164-K167 WeakPolarHBondContact OD2-CE 3.38Å; D164-K167 IonicContact OD2-NZ 2.57Å; D164-K167 PolarHBondContact OD2-NZ 2.87Å; D164-K234 VanDerWaalsContact C-CE 3.47Å; D164-K234 WeakPolarHBondContact O-CE 3.47Å; D164-K234 PolarHBondContact O-NZ 3.27Å
165	E	97.1	Very high	97.9	Very high	137 Å²	137	43.3 Å²	43.3	64%	0.64	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.3	-177.3	-64.4	-173.4	160	0	0	113.7	L163 K231 G232 K234	L163-E165 PolarHBondContact O-N 3.1Å; E165-K231 WeakPolarHBondContact O-CA 3.42Å; E165-G232 PolarHBondContact O-N 3.43Å; E165-K234 HydrophobicContact CG-CG 4.42Å
166	T	95.3	Very high	97.5	Very high	96 Å²	96	43.6 Å²	43.6	59%	0.589	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.1	177.5	74.4	0	0	0	0	113.8	D164 K231	D164-T166 PolarHBondContact O-N 2.98Å; D164-T166 WeakPolarHBondContact OD1-CB 3.47Å; D164-T166 PolarHBondContact OD1-N 3.08Å; D164-T166 PolarHBondContact OD1-OG1 2.89Å; D164-T166 PolarHBondContact OD2-OG1 2.93Å; T166-K231 WeakPolarHBondContact O-CE 3.38Å
167	K	97.6	Very high	97.2	Very high	61 Å²	61	43.8 Å²	43.8	27%	0.265	23%	0.227	S	C	.	.	S	Bend	trans	-122.1	143.4	-177.1	-61.5	-173.4	-178.4	119.3	0	112.7	D164 V169 V202 K231 K234	D164-K167 HydrophobicContact CB-CB 4.47Å; D164-K167 HydrophobicContact CB-CD 4.43Å; D164-K167 HydrophobicContact CB-CG 4.39Å; D164-K167 PolarHBondContact O-N 3.27Å; D164-K167 WeakPolarHBondContact OD2-CE 3.38Å; D164-K167 IonicContact OD2-NZ 2.57Å; D164-K167 PolarHBondContact OD2-NZ 2.87Å; K167-V169 HydrophobicContact CB-CG2 4.06Å; K167-V202 HydrophobicContact CB-CG2 4.38Å; K167-V202 HydrophobicContact CD-CG2 3.63Å; K167-K231 VanDerWaalsContact C-CG 3.4Å; K167-K234 PolarHBondContact O-NZ 3.44Å
168	D	98.4	Very high	96.9	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.1	164.7	-65.4	-58.7	0	0	0	107.7	G200 V201 V202 F228 P230 K231 C256	D168-G200 PolarHBondContact N-O 2.9Å; D168-V201 CarbonylContact O-C 3.53Å; D168-V201 WeakPolarHBondContact O-CA 3.1Å; D168-V202 PolarHBondContact O-N 3.34Å; D168-F228 HydrophobicContact CB-CE2 3.86Å; D168-F228 HydrophobicContact CB-CZ 3.81Å; D168-P230 WeakPolarHBondContact OD1-CA 3.38Å; D168-K231 WeakPolarHBondContact OD1-CG 3.26Å; D168-K231 PolarHBondContact OD1-N 3.32Å; D168-K231 WeakPolarHBondContact OD2-CD 3.11Å; D168-K231 VanDerWaalsContact OD2-CE 3.26Å; D168-K231 WeakPolarHBondContact OD2-CE 3.42Å; D168-K231 IonicContact OD2-NZ 3.6Å; D168-K231 PolarHBondContact OD2-NZ 2.93Å; D168-C256 HydrophobicContact CB-CB 4.34Å; D168-C256 WeakPolarHBondContact CB-SG 3.45Å
169	V	98.8	Very high	96.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121	-173.4	-169.7	0	0	0	0	110.5	V162 K167 V171 V202 A204 F228 F229	V162-V169 HydrophobicContact CG2-CG1 4.22Å; K167-V169 HydrophobicContact CB-CG2 4.06Å; V169-V171 HydrophobicContact CG1-CG2 3.86Å; V169-V202 CarbonylContact C-O 3.56Å; V169-V202 WeakPolarHBondContact CA-O 3.33Å; V169-V202 HydrophobicContact CB-CB 4.39Å; V169-V202 HydrophobicContact CG1-CB 4.01Å; V169-V202 HydrophobicContact CG1-CG1 4.1Å; V169-V202 HydrophobicContact CG2-CB 4.08Å; V169-V202 HydrophobicContact CG2-CG2 4.48Å; V169-A204 HydrophobicContact CG1-CB 4.33Å; V169-F228 CarbonylContact O-C 3.44Å; V169-F228 WeakPolarHBondContact O-CA 3.36Å; V169-F229 HydrophobicContact CB-CB 4.25Å; V169-F229 PolarHBondContact N-O 2.94Å; V169-F229 PolarHBondContact O-N 3.17Å
170	L	98.8	Very high	96.5	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125	168.1	-174.7	68	0	0	0	108.5	Y188 L191 V202 I203 A204 L226 F228 F248 F251 I252	L170-Y188 VanDerWaalsContact C-OH 3.3Å; L170-Y188 HydrophobicContact CD2-CE2 3.87Å; L170-Y188 HydrophobicContact CG-CE2 4.34Å; L170-Y188 PolarHBondContact O-OH 3.12Å; L170-L191 HydrophobicContact CD2-CD2 3.89Å; L170-V202 PolarHBondContact N-O 3.12Å; L170-I203 HydrophobicContact CB-CD1 4Å; L170-I203 HydrophobicContact CD2-CD1 4.39Å; L170-A204 PolarHBondContact O-N 3.41Å; L170-L226 HydrophobicContact CG-CD2 4.47Å; L170-F228 HydrophobicContact CB-CD2 4.4Å; L170-F228 HydrophobicContact CD1-CB 4.18Å; L170-F228 HydrophobicContact CD1-CD2 4.43Å; L170-F248 HydrophobicContact CD2-CD1 3.92Å; L170-F248 HydrophobicContact CD2-CE1 4.13Å; L170-F251 HydrophobicContact CD1-CE1 4.39Å; L170-I252 HydrophobicContact CB-CD1 4.2Å; L170-I252 HydrophobicContact CD2-CD1 4.26Å
171	V	98.8	Very high	96.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.5	-178.4	-174.9	0	0	0	0	110.4	L153 F158 V162 V169 F173 A204 L226 K227 F229	L153-V171 HydrophobicContact CD1-CG1 3.8Å; L153-V171 HydrophobicContact CD1-CG2 4Å; F158-V171 HydrophobicContact CE2-CG1 4.41Å; V162-V171 HydrophobicContact CG1-CG2 4.41Å; V162-V171 HydrophobicContact CG2-CG2 3.84Å; V169-V171 HydrophobicContact CG1-CG2 3.86Å; V171-F173 HydrophobicContact CB-CD2 4.44Å; V171-F173 HydrophobicContact CB-CE2 3.92Å; V171-F173 HydrophobicContact CG1-CD2 3.95Å; V171-F173 HydrophobicContact CG1-CE2 3.59Å; V171-F173 HydrophobicContact CG1-CZ 3.92Å; V171-A204 CarbonylContact C-O 3.48Å; V171-A204 VanDerWaalsContact CA-O 3.29Å; V171-A204 WeakPolarHBondContact CA-O 3.48Å; V171-A204 HydrophobicContact CG2-CB 4.46Å; V171-L226 WeakPolarHBondContact O-CA 3.24Å; V171-K227 PolarHBondContact N-O 2.85Å; V171-K227 PolarHBondContact O-N 2.88Å; V171-F229 HydrophobicContact CB-CE2 4.01Å; V171-F229 HydrophobicContact CG2-CD2 3.8Å; V171-F229 HydrophobicContact CG2-CE2 3.62Å
172	E	98.7	Very high	96.1	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.019	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.8	165.8	-173.7	-164.7	-175.7	0	0	109.8	L184 Y188 A204 N205 L206 P224 L226	E172-L184 HydrophobicContact CG-CD2 4.19Å; E172-L184 WeakPolarHBondContact OE1-CD2 3.43Å; E172-Y188 HydrophobicContact CB-CD1 4.35Å; E172-Y188 HydrophobicContact CB-CE1 3.83Å; E172-Y188 HydrophobicContact CB-CE2 4.18Å; E172-Y188 PolarHBondContact N-OH 2.7Å; E172-A204 PolarHBondContact N-O 2.92Å; E172-N205 HydrophobicContact CB-CB 4.05Å; E172-N205 CarbonylContact O-C 3.49Å; E172-N205 WeakPolarHBondContact O-CA 3.47Å; E172-L206 PolarHBondContact O-N 2.68Å; E172-P224 HydrophobicContact CG-CB 4.03Å; E172-L226 HydrophobicContact CB-CD2 3.75Å; E172-L226 HydrophobicContact CG-CD2 4.09Å
173	F	98.6	Very high	95.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	110.4	166.3	-64.1	-98.4	0	0	0	108.3	F158 V171 L206 A208 A215 Y218 V220 P224 T225 K227	F158-F173 HydrophobicContact CE2-CE1 4.15Å; F158-F173 AromaticContact CE2-CZ 3.92Å; F158-F173 HydrophobicContact CE2-CZ 3.92Å; F158-F173 HydrophobicContact CZ-CZ 4.12Å; V171-F173 HydrophobicContact CB-CD2 4.44Å; V171-F173 HydrophobicContact CB-CE2 3.92Å; V171-F173 HydrophobicContact CG1-CD2 3.95Å; V171-F173 HydrophobicContact CG1-CE2 3.59Å; V171-F173 HydrophobicContact CG1-CZ 3.92Å; F173-L206 HydrophobicContact CD1-CB 4.35Å; F173-L206 HydrophobicContact CD1-CD2 3.73Å; F173-L206 HydrophobicContact CE1-CD2 3.59Å; F173-A208 HydrophobicContact CB-CB 3.98Å; F173-A208 HydrophobicContact CD1-CB 4.22Å; F173-A215 HydrophobicContact CD1-CB 4.47Å; F173-Y218 HydrophobicContact CE1-CD2 4.43Å; F173-Y218 HydrophobicContact CZ-CD2 4.11Å; F173-Y218 HydrophobicContact CZ-CG 4.39Å; F173-V220 HydrophobicContact CB-CG1 4.01Å; F173-V220 HydrophobicContact CB-CG2 3.93Å; F173-V220 HydrophobicContact CD1-CG2 3.72Å; F173-V220 HydrophobicContact CD2-CG2 3.93Å; F173-V220 HydrophobicContact CE1-CG2 4.16Å; F173-V220 HydrophobicContact CE2-CG2 4.36Å; F173-V220 HydrophobicContact CG-CG2 3.59Å; F173-V220 HydrophobicContact CZ-CG2 4.47Å; F173-P224 WeakPolarHBondContact O-CA 3.3Å; F173-T225 PolarHBondContact N-O 3.46Å; F173-T225 PolarHBondContact O-N 2.97Å; F173-K227 HydrophobicContact CE2-CB 4.09Å; F173-K227 HydrophobicContact CE2-CD 3.99Å; F173-K227 HydrophobicContact CE2-CG 4.18Å
174	Y	98.3	Very high	95.7	Very high	55 Å²	55	51.5 Å²	51.5	22%	0.216	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	167.8	-172.6	81.7	-86.2	0	0	0	112.2	P176 N205 L206 D207 A208	Y174-P176 HydrophobicContact CE2-CG 4.17Å; Y174-N205 HydrophobicContact CD1-CB 4.01Å; Y174-N205 HydrophobicContact CE1-CB 4.1Å; Y174-L206 VanDerWaalsContact CD1-C 3.48Å; Y174-L206 WeakPolarHBondContact CD1-O 3.43Å; Y174-L206 VanDerWaalsContact CE1-C 3.46Å; Y174-L206 PolarHBondContact N-O 3.02Å; Y174-D207 HydrophobicContact CE1-CB 4.21Å; Y174-A208 PolarHBondContact O-N 3.05Å
175	A	96.1	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.			trans	-127.2	136.7	167.6	0	0	0	0	0	110.1	W177 C178 D209 F223	A175-W177 HydrophobicContact CB-CD2 4.22Å; A175-W177 HydrophobicContact CB-CZ2 4.02Å; A175-W177 PolarHBondContact O-N 3.49Å; A175-W177 VanDerWaalsContact O-N 3.14Å; A175-C178 HydrophobicContact CB-CB 4.19Å; A175-C178 WeakPolarHBondContact O-CB 3.38Å; A175-C178 PolarHBondContact O-N 3.06Å; A175-D209 HydrophobicContact CB-CB 3.78Å; A175-F223 HydrophobicContact CB-CB 4.38Å; A175-F223 HydrophobicContact CB-CD1 4.48Å; A175-F223 HydrophobicContact CB-CD2 3.38Å; A175-F223 HydrophobicContact CB-CE2 3.66Å; A175-F223 HydrophobicContact CB-CG 3.83Å; A175-F223 HydrophobicContact CB-CZ 4.34Å
176	P	90.5	Very high	95.2	Very high	63 Å²	63	48.9 Å²	48.9	41%	0.409	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.2	-176.4	-25.5	33.9	0	0	0	114.4	Y174 K182 D207	Y174-P176 HydrophobicContact CE2-CG 4.17Å; P176-K182 WeakPolarHBondContact O-CE 3.5Å; P176-D207 WeakPolarHBondContact CD-OD1 3.37Å; P176-D207 VanDerWaalsContact CG-OD2 3.31Å; P176-D207 WeakPolarHBondContact CG-OD2 2.97Å
177	W	89.4	Confident	95.3	Very high	156 Å²	156	45.2 Å²	45.2	59%	0.591	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-13.4	179.7	53.8	-101	0	0	0	113.4	A175 G179 D209 F223	A175-W177 HydrophobicContact CB-CD2 4.22Å; A175-W177 HydrophobicContact CB-CZ2 4.02Å; A175-W177 PolarHBondContact O-N 3.49Å; A175-W177 VanDerWaalsContact O-N 3.14Å; W177-G179 PolarHBondContact O-N 3.21Å; W177-D209 PolarHBondContact NE1-OD1 3.05Å; W177-D209 PolarHBondContact NE1-OD2 2.93Å; W177-D209 VanDerWaalsContact NE1-OD2 3.09Å; W177-F223 HydrophobicContact CH2-CD2 4.16Å; W177-F223 HydrophobicContact CH2-CE2 4.48Å; W177-F223 HydrophobicContact CZ2-CD2 4.05Å; W177-F223 HydrophobicContact CZ2-CE2 4.01Å
178	C	93.7	Very high	95.3	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.074	22%	0.223	C	C	.	.			trans	-75.3	123.4	-174.4	176.6	0	0	0	0	112.5	A175 H180 C181 K182 F223	A175-C178 HydrophobicContact CB-CB 4.19Å; A175-C178 WeakPolarHBondContact O-CB 3.38Å; A175-C178 PolarHBondContact O-N 3.06Å; C178-H180 PolarHBondContact O-N 3.14Å; C178-C181 HydrophobicContact CB-CB 3.9Å; C178-C181 VanDerWaalsContact CB-SG 3.56Å; C178-C181 PolarHBondContact O-N 3.35Å; C178-K182 WeakPolarHBondContact O-CG 3.36Å; C178-K182 PolarHBondContact O-N 3.06Å; C178-K182 VanDerWaalsContact O-N 3.09Å; C178-F223 HydrophobicContact CB-CB 4.23Å
179	G	91.7	Very high	95.1	Very high	52 Å²	52	43.9 Å²	43.9	54%	0.536	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-39.6	177.9	0	0	0	0	0	113.7	W177 K182 H183	W177-G179 PolarHBondContact O-N 3.21Å; G179-K182 PolarHBondContact O-N 3.2Å; G179-H183 PolarHBondContact O-N 3.36Å; G179-H183 VanDerWaalsContact O-N 3.09Å
180	H	95.4	Very high	94.9	Very high	133 Å²	133	49.9 Å²	49.9	62%	0.616	26%	0.256	S	S	*	.	H	α-helix	trans	-66.5	-38.1	177.4	-61.8	148.8	0	0	0	112.1	C178 H183 L184 P224	C178-H180 PolarHBondContact O-N 3.14Å; H180-H183 PolarHBondContact O-N 3.19Å; H180-L184 WeakPolarHBondContact O-CB 3.43Å; H180-L184 PolarHBondContact O-N 3.14Å; H180-P224 HydrophobicContact CB-CG 4.49Å
181	C	95.9	Very high	94.9	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.034	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-44.1	173.8	-63.8	0	0	0	0	111.7	C178 H183 L184 A185	C178-C181 HydrophobicContact CB-CB 3.9Å; C178-C181 VanDerWaalsContact CB-SG 3.56Å; C178-C181 PolarHBondContact O-N 3.35Å; C181-H183 PolarHBondContact O-N 3.3Å; C181-L184 PolarHBondContact O-N 3.18Å; C181-L184 VanDerWaalsContact O-N 3.17Å; C181-A185 WeakPolarHBondContact O-CB 2.86Å; C181-A185 PolarHBondContact O-N 2.8Å
182	K	91.3	Very high	94.9	Very high	132 Å²	132	50.1 Å²	50.1	57%	0.574	26%	0.258	S	S	*	.	H	α-helix	trans	-60.6	-34.6	176.4	-69.7	175.8	-174.3	179.2	0	112.5	P176 C178 G179 P186	P176-K182 WeakPolarHBondContact O-CE 3.5Å; C178-K182 WeakPolarHBondContact O-CG 3.36Å; C178-K182 PolarHBondContact O-N 3.06Å; C178-K182 VanDerWaalsContact O-N 3.09Å; G179-K182 PolarHBondContact O-N 3.2Å; K182-P186 WeakPolarHBondContact O-CD 3.41Å
183	H	91.9	Very high	94.8	Very high	125 Å²	125	52.7 Å²	52.7	58%	0.579	28%	0.276	S	S	*	.	H	α-helix	trans	-73.2	-39.5	175.6	-176.1	66.2	0	0	0	112.5	G179 H180 C181 P186	G179-H183 PolarHBondContact O-N 3.36Å; G179-H183 VanDerWaalsContact O-N 3.09Å; H180-H183 PolarHBondContact O-N 3.19Å; C181-H183 PolarHBondContact O-N 3.3Å; H183-P186 VanDerWaalsContact O-CD 3.29Å; H183-P186 WeakPolarHBondContact O-CD 3.39Å; H183-P186 WeakPolarHBondContact O-CG 3.48Å
184	L	96.2	Very high	94.7	Very high	4 Å²	4	53 Å²	53	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-71.1	-36	179.8	179.8	57	0	0	0	112.6	E172 H180 C181 I187 Y188 P224 L226 R243 F248	E172-L184 HydrophobicContact CG-CD2 4.19Å; E172-L184 WeakPolarHBondContact OE1-CD2 3.43Å; H180-L184 WeakPolarHBondContact O-CB 3.43Å; H180-L184 PolarHBondContact O-N 3.14Å; C181-L184 PolarHBondContact O-N 3.18Å; C181-L184 VanDerWaalsContact O-N 3.17Å; L184-I187 HydrophobicContact CD1-CB 4.29Å; L184-I187 HydrophobicContact CD1-CG2 4.47Å; L184-I187 CarbonylContact O-C 3.57Å; L184-I187 WeakPolarHBondContact O-CA 3.33Å; L184-I187 WeakPolarHBondContact O-CB 3.49Å; L184-I187 PolarHBondContact O-N 3.38Å; L184-Y188 PolarHBondContact O-N 2.64Å; L184-P224 HydrophobicContact CD2-CB 3.99Å; L184-P224 HydrophobicContact CD2-CG 3.77Å; L184-L226 HydrophobicContact CD2-CD1 4.13Å; L184-R243 HydrophobicContact CD1-CB 4.37Å; L184-F248 HydrophobicContact CD1-CE2 3.66Å; L184-F248 HydrophobicContact CD1-CZ 3.9Å
185	A	92.8	Very high	94.7	Very high	50 Å²	50	50.6 Å²	50.6	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-45	-51.6	-177	0	0	0	0	0	115	C181 I187 Y188 E189	C181-A185 WeakPolarHBondContact O-CB 2.86Å; C181-A185 PolarHBondContact O-N 2.8Å; A185-I187 VanDerWaalsContact C-N 3.32Å; A185-I187 PolarHBondContact O-N 2.78Å; A185-Y188 PolarHBondContact O-N 2.97Å; A185-E189 WeakPolarHBondContact O-CB 3.42Å; A185-E189 PolarHBondContact O-N 2.66Å
186	P	91.1	Very high	94.6	Very high	71 Å²	71	56.8 Å²	56.8	46%	0.461	30%	0.296	S	S	.	.	H	α-helix	trans	-66.9	-28	177.4	26.2	-36.5	0	0	0	114.3	K182 H183 K190	K182-P186 WeakPolarHBondContact O-CD 3.41Å; H183-P186 VanDerWaalsContact O-CD 3.29Å; H183-P186 WeakPolarHBondContact O-CD 3.39Å; H183-P186 WeakPolarHBondContact O-CG 3.48Å; P186-K190 WeakPolarHBondContact O-CG 3.34Å; P186-K190 PolarHBondContact O-N 2.78Å
187	I	96.4	Very high	94.8	Very high	19 Å²	19	57.4 Å²	57.4	10%	0.097	29%	0.293	C	S	.	.	H	α-helix	trans	-73.4	-43.8	175.1	-61.6	170.6	0	0	0	109.3	L184 A185 E189 K190 L191 R243 L245 F248	L184-I187 HydrophobicContact CD1-CB 4.29Å; L184-I187 HydrophobicContact CD1-CG2 4.47Å; L184-I187 CarbonylContact O-C 3.57Å; L184-I187 WeakPolarHBondContact O-CA 3.33Å; L184-I187 WeakPolarHBondContact O-CB 3.49Å; L184-I187 PolarHBondContact O-N 3.38Å; A185-I187 VanDerWaalsContact C-N 3.32Å; A185-I187 PolarHBondContact O-N 2.78Å; I187-E189 VanDerWaalsContact C-N 3.31Å; I187-E189 PolarHBondContact O-N 3.12Å; I187-K190 WeakPolarHBondContact O-CB 3.02Å; I187-K190 PolarHBondContact O-N 3.24Å; I187-L191 PolarHBondContact O-N 2.9Å; I187-R243 WeakPolarHBondContact CD1-O 3.04Å; I187-L245 HydrophobicContact CG2-CB 4.12Å; I187-F248 HydrophobicContact CG2-CD2 4.23Å; I187-F248 HydrophobicContact CG2-CE2 4.28Å
188	Y	97.8	Very high	95.1	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-34.7	179.5	-151.8	-109.5	0	0	0	112.3	V150 L170 E172 L184 A185 L191 A192 I203 A204 N205 L226	V150-Y188 HydrophobicContact CG1-CD1 4.04Å; V150-Y188 HydrophobicContact CG1-CE1 4.02Å; V150-Y188 HydrophobicContact CG2-CD1 3.86Å; V150-Y188 HydrophobicContact CG2-CE1 4.46Å; L170-Y188 VanDerWaalsContact C-OH 3.3Å; L170-Y188 HydrophobicContact CD2-CE2 3.87Å; L170-Y188 HydrophobicContact CG-CE2 4.34Å; L170-Y188 PolarHBondContact O-OH 3.12Å; E172-Y188 HydrophobicContact CB-CD1 4.35Å; E172-Y188 HydrophobicContact CB-CE1 3.83Å; E172-Y188 HydrophobicContact CB-CE2 4.18Å; E172-Y188 PolarHBondContact N-OH 2.7Å; L184-Y188 PolarHBondContact O-N 2.64Å; A185-Y188 PolarHBondContact O-N 2.97Å; Y188-L191 HydrophobicContact CD2-CD2 4.05Å; Y188-L191 HydrophobicContact CE2-CD2 4.04Å; Y188-L191 WeakPolarHBondContact O-CB 3.35Å; Y188-L191 PolarHBondContact O-N 2.88Å; Y188-A192 PolarHBondContact O-N 2.85Å; Y188-I203 HydrophobicContact CD1-CG2 3.84Å; Y188-I203 HydrophobicContact CD2-CG2 4.36Å; Y188-I203 HydrophobicContact CE1-CG2 3.38Å; Y188-I203 HydrophobicContact CE2-CG2 3.95Å; Y188-I203 HydrophobicContact CG-CG2 4.31Å; Y188-I203 VanDerWaalsContact CZ-CG2 3.44Å; Y188-A204 WeakPolarHBondContact CE1-O 2.89Å; Y188-A204 PolarHBondContact OH-O 3.37Å; Y188-N205 HydrophobicContact CE1-CB 4.41Å; Y188-L226 HydrophobicContact CD2-CD2 4.39Å; Y188-L226 HydrophobicContact CE2-CD2 3.62Å
189	E	94.8	Very high	95	Very high	40 Å²	40	59.6 Å²	59.6	19%	0.187	31%	0.31	C	S	.	.	H	α-helix	trans	-64.6	-42	171.8	-173	54.7	-130	0	0	112.7	S148 S149 V150 A185 I187 L191 A192 S193	S148-E189 VanDerWaalsContact CA-OE1 3.28Å; S148-E189 WeakPolarHBondContact CA-OE1 3.35Å; S148-E189 PolarHBondContact OG-OE2 3.44Å; S148-E189 VanDerWaalsContact OG-OE2 3.07Å; S149-E189 PolarHBondContact N-OE1 3.15Å; V150-E189 WeakPolarHBondContact CG2-OE2 3.41Å; A185-E189 WeakPolarHBondContact O-CB 3.42Å; A185-E189 PolarHBondContact O-N 2.66Å; I187-E189 VanDerWaalsContact C-N 3.31Å; I187-E189 PolarHBondContact O-N 3.12Å; E189-L191 VanDerWaalsContact C-N 3.34Å; E189-A192 PolarHBondContact O-N 2.95Å; E189-S193 PolarHBondContact O-N 3.24Å; E189-S193 PolarHBondContact O-OG 3.39Å
190	K	95.8	Very high	95.2	Very high	126 Å²	126	58.1 Å²	58.1	55%	0.548	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-42.7	173.2	-70.3	172.2	-176.8	177.8	0	110.9	P186 I187 A192 S193 V194 L245	P186-K190 WeakPolarHBondContact O-CG 3.34Å; P186-K190 PolarHBondContact O-N 2.78Å; I187-K190 WeakPolarHBondContact O-CB 3.02Å; I187-K190 PolarHBondContact O-N 3.24Å; K190-A192 PolarHBondContact O-N 3.49Å; K190-S193 WeakPolarHBondContact O-CA 3.33Å; K190-S193 WeakPolarHBondContact O-CB 3.29Å; K190-S193 PolarHBondContact O-N 3.06Å; K190-S193 VanDerWaalsContact O-N 3.13Å; K190-V194 WeakPolarHBondContact O-CG2 3.18Å; K190-V194 PolarHBondContact O-N 3.19Å; K190-L245 HydrophobicContact CB-CD1 4.04Å; K190-L245 HydrophobicContact CB-CD2 4.02Å; K190-L245 HydrophobicContact CD-CD2 4.28Å
191	L	98.3	Very high	95.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.3	-47.6	176.2	178	65	0	0	0	111.7	L170 I187 Y188 E189 S193 V194 Y195 I203 L245 F248 V249	L170-L191 HydrophobicContact CD2-CD2 3.89Å; I187-L191 PolarHBondContact O-N 2.9Å; Y188-L191 HydrophobicContact CD2-CD2 4.05Å; Y188-L191 HydrophobicContact CE2-CD2 4.04Å; Y188-L191 WeakPolarHBondContact O-CB 3.35Å; Y188-L191 PolarHBondContact O-N 2.88Å; E189-L191 VanDerWaalsContact C-N 3.34Å; L191-S193 PolarHBondContact O-N 2.6Å; L191-V194 WeakPolarHBondContact O-CB 3.39Å; L191-V194 PolarHBondContact O-N 3.43Å; L191-V194 VanDerWaalsContact O-N 3.16Å; L191-Y195 HydrophobicContact CD1-CD2 3.9Å; L191-Y195 HydrophobicContact CD1-CE2 3.62Å; L191-Y195 WeakPolarHBondContact O-CD2 3.38Å; L191-Y195 PolarHBondContact O-N 3.08Å; L191-I203 HydrophobicContact CD2-CD1 4.07Å; L191-I203 HydrophobicContact CD2-CG1 4.49Å; L191-I203 HydrophobicContact CD2-CG2 4.1Å; L191-I203 HydrophobicContact CG-CD1 4.11Å; L191-I203 HydrophobicContact CG-CG1 4.19Å; L191-I203 HydrophobicContact CG-CG2 4.31Å; L191-L245 HydrophobicContact CB-CD1 4.01Å; L191-L245 HydrophobicContact CD1-CD1 4.43Å; L191-F248 HydrophobicContact CD1-CB 3.51Å; L191-F248 HydrophobicContact CD1-CG 4.49Å; L191-F248 HydrophobicContact CD2-CB 3.55Å; L191-F248 HydrophobicContact CD2-CD1 3.92Å; L191-F248 HydrophobicContact CD2-CD2 4.19Å; L191-F248 HydrophobicContact CD2-CG 3.65Å; L191-F248 HydrophobicContact CG-CB 4.08Å; L191-V249 HydrophobicContact CD1-CG2 4.2Å
192	A	98.2	Very high	95.5	Very high	5 Å²	5	53.1 Å²	53.1	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-35.2	176.2	0	0	0	0	0	112.3	S149 V150 Y188 E189 K190 Y195 K196 I203	S149-A192 VanDerWaalsContact C-CB 3.43Å; V150-A192 HydrophobicContact CB-CB 4.33Å; V150-A192 HydrophobicContact CG2-CB 3.58Å; Y188-A192 PolarHBondContact O-N 2.85Å; E189-A192 PolarHBondContact O-N 2.95Å; K190-A192 PolarHBondContact O-N 3.49Å; A192-Y195 PolarHBondContact O-N 3.15Å; A192-K196 PolarHBondContact O-N 2.72Å; A192-I203 HydrophobicContact CB-CB 3.74Å; A192-I203 HydrophobicContact CB-CG1 4.31Å; A192-I203 HydrophobicContact CB-CG2 3.86Å
193	S	95.7	Very high	95.8	Very high	58 Å²	58	47.1 Å²	47.1	41%	0.406	25%	0.247	S	C	.	.	H	α-helix	trans	-68.3	-36.3	175.2	-62.1	0	0	0	0	112.9	E189 K190 L191 Y195 K196	E189-S193 PolarHBondContact O-N 3.24Å; E189-S193 PolarHBondContact O-OG 3.39Å; K190-S193 WeakPolarHBondContact O-CA 3.33Å; K190-S193 WeakPolarHBondContact O-CB 3.29Å; K190-S193 PolarHBondContact O-N 3.06Å; K190-S193 VanDerWaalsContact O-N 3.13Å; L191-S193 PolarHBondContact O-N 2.6Å; S193-Y195 VanDerWaalsContact C-N 3.32Å; S193-Y195 PolarHBondContact O-N 2.95Å; S193-K196 WeakPolarHBondContact O-CB 3.42Å; S193-K196 PolarHBondContact O-N 2.85Å
194	V	97.7	Very high	96.1	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-56.6	-47	174.9	166.4	0	0	0	0	110.4	K190 L191 L245 V249 R260	K190-V194 WeakPolarHBondContact O-CG2 3.18Å; K190-V194 PolarHBondContact O-N 3.19Å; L191-V194 WeakPolarHBondContact O-CB 3.39Å; L191-V194 PolarHBondContact O-N 3.43Å; L191-V194 VanDerWaalsContact O-N 3.16Å; V194-L245 HydrophobicContact CG2-CD1 4.44Å; V194-V249 HydrophobicContact CG1-CG2 4.13Å; V194-V249 HydrophobicContact CG2-CG2 4.31Å; V194-R260 HydrophobicContact CG1-CB 3.81Å; V194-R260 WeakPolarHBondContact O-CD 3.45Å; V194-R260 PolarHBondContact O-NE 3.45Å
195	Y	97.9	Very high	96.3	Very high	5 Å²	5	42.1 Å²	42.1	2%	0.02	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	13.1	-173.7	-65.7	-73.7	0	0	0	114.8	L191 A192 S193 Q197 D198 V201 V249 I252 N253 T258 R260	L191-Y195 HydrophobicContact CD1-CD2 3.9Å; L191-Y195 HydrophobicContact CD1-CE2 3.62Å; L191-Y195 WeakPolarHBondContact O-CD2 3.38Å; L191-Y195 PolarHBondContact O-N 3.08Å; A192-Y195 PolarHBondContact O-N 3.15Å; S193-Y195 VanDerWaalsContact C-N 3.32Å; S193-Y195 PolarHBondContact O-N 2.95Å; Y195-Q197 PolarHBondContact O-N 3.09Å; Y195-D198 WeakPolarHBondContact CA-OD2 3.4Å; Y195-D198 VanDerWaalsContact CD1-OD2 3.3Å; Y195-D198 WeakPolarHBondContact CD1-OD2 3.46Å; Y195-D198 PolarHBondContact O-N 2.87Å; Y195-V201 HydrophobicContact CD1-CG1 4.36Å; Y195-V201 HydrophobicContact CG-CG1 4.01Å; Y195-V249 HydrophobicContact CE2-CG2 4.45Å; Y195-V249 WeakPolarHBondContact OH-CA 3.43Å; Y195-V249 PolarHBondContact OH-O 3.02Å; Y195-I252 HydrophobicContact CD1-CG2 3.84Å; Y195-I252 HydrophobicContact CD2-CB 4.4Å; Y195-I252 HydrophobicContact CD2-CG2 3.87Å; Y195-I252 HydrophobicContact CE1-CB 4.27Å; Y195-I252 HydrophobicContact CE1-CG2 3.48Å; Y195-I252 VanDerWaalsContact CE1-CG2 3.48Å; Y195-I252 HydrophobicContact CE2-CB 3.63Å; Y195-I252 HydrophobicContact CE2-CG1 4.08Å; Y195-I252 HydrophobicContact CE2-CG2 3.47Å; Y195-I252 VanDerWaalsContact CE2-CG2 3.47Å; Y195-I252 HydrophobicContact CG-CG2 4.05Å; Y195-N253 PolarHBondContact OH-OD1 2.99Å; Y195-T258 VanDerWaalsContact CE1-OG1 3.31Å; Y195-T258 WeakPolarHBondContact CE1-OG1 3.38Å; Y195-R260 HydrophobicContact CE1-CB 4.19Å; Y195-R260 HydrophobicContact CE1-CG 4.27Å
196	K	94.1	Very high	96.5	Very high	130 Å²	130	39.8 Å²	39.8	57%	0.565	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.3	-177.3	-166.6	174.1	-170.9	159.2	0	114.3	S149 A192 S193	S149-K196 PolarHBondContact OG-NZ 3.05Å; A192-K196 PolarHBondContact O-N 2.72Å; S193-K196 WeakPolarHBondContact O-CB 3.42Å; S193-K196 PolarHBondContact O-N 2.85Å
197	Q	93.8	Very high	96.9	Very high	77 Å²	77	37.8 Å²	37.8	36%	0.36	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-6.1	177.4	-61.3	-56.2	-74.9	0	0	113.1	Y195 P348	Y195-Q197 PolarHBondContact O-N 3.09Å; Q197-P348 HydrophobicContact CG-CB 4.05Å
198	D	95.7	Very high	96.9	Very high	29 Å²	29	37 Å²	37	16%	0.155	19%	0.187	C	C	.	.			trans	-98.5	91.5	178	-48.2	-80.7	0	0	0	110	Y195 G200 V201 T258 R260	Y195-D198 WeakPolarHBondContact CA-OD2 3.4Å; Y195-D198 VanDerWaalsContact CD1-OD2 3.3Å; Y195-D198 WeakPolarHBondContact CD1-OD2 3.46Å; Y195-D198 PolarHBondContact O-N 2.87Å; D198-G200 PolarHBondContact O-N 3.46Å; D198-V201 HydrophobicContact CB-CB 4.13Å; D198-V201 HydrophobicContact CB-CG2 4.02Å; D198-V201 PolarHBondContact O-N 3.42Å; D198-T258 HydrophobicContact CB-CG2 4.27Å; D198-R260 VanDerWaalsContact CG-NH2 3.31Å; D198-R260 IonicContact OD1-CZ 2.77Å; D198-R260 IonicContact OD1-NE 3.91Å; D198-R260 PolarHBondContact OD1-NE 3.09Å; D198-R260 IonicContact OD1-NH2 3.49Å; D198-R260 PolarHBondContact OD1-NH2 3.05Å; D198-R260 IonicContact OD2-CZ 3.58Å; D198-R260 VanDerWaalsContact OD2-CZ 3.29Å; D198-R260 IonicContact OD2-NE 2.7Å; D198-R260 PolarHBondContact OD2-NE 3.29Å; D198-R260 IonicContact OD2-NH2 2.73Å; D198-R260 PolarHBondContact OD2-NH2 3.5Å
199	E	93.2	Very high	96.8	Very high	183 Å²	183	40.4 Å²	40.4	86%	0.855	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-21.3	-177.7	-61.4	178.3	168.8	0	0	114.1
200	G	95.6	Very high	97	Very high	21 Å²	21	45.5 Å²	45.5	22%	0.216	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	2.7	176.9	0	0	0	0	0	114.9	D168 D198 K231	D168-G200 PolarHBondContact N-O 2.9Å; D198-G200 PolarHBondContact O-N 3.46Å; G200-K231 WeakPolarHBondContact O-CE 3.41Å; G200-K231 PolarHBondContact O-NZ 3.49Å; G200-K231 VanDerWaalsContact O-NZ 3.12Å
201	V	98.4	Very high	97	Very high	15 Å²	15	41.3 Å²	41.3	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.6	178.1	179.2	0	0	0	0	109.1	D168 Y195 D198 I203 I252 C256 T258	D168-V201 CarbonylContact O-C 3.53Å; D168-V201 WeakPolarHBondContact O-CA 3.1Å; Y195-V201 HydrophobicContact CD1-CG1 4.36Å; Y195-V201 HydrophobicContact CG-CG1 4.01Å; D198-V201 HydrophobicContact CB-CB 4.13Å; D198-V201 HydrophobicContact CB-CG2 4.02Å; D198-V201 PolarHBondContact O-N 3.42Å; V201-I203 HydrophobicContact CG1-CD1 4.13Å; V201-I252 HydrophobicContact CG1-CG2 3.8Å; V201-I252 HydrophobicContact CG2-CG2 4.36Å; V201-C256 HydrophobicContact CG2-CB 3.78Å; V201-T258 HydrophobicContact CG2-CG2 4.03Å
202	V	98.4	Very high	97	Very high	18 Å²	18	45 Å²	45	11%	0.109	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.4	176.6	-179.5	0	0	0	0	109.6	V151 V161 K167 D168 V169 L170 A204	V151-V202 HydrophobicContact CB-CG1 4.13Å; V151-V202 HydrophobicContact CG2-CG1 3.82Å; V161-V202 HydrophobicContact CG1-CG1 3.93Å; K167-V202 HydrophobicContact CB-CG2 4.38Å; K167-V202 HydrophobicContact CD-CG2 3.63Å; D168-V202 PolarHBondContact O-N 3.34Å; V169-V202 CarbonylContact C-O 3.56Å; V169-V202 WeakPolarHBondContact CA-O 3.33Å; V169-V202 HydrophobicContact CB-CB 4.39Å; V169-V202 HydrophobicContact CG1-CB 4.01Å; V169-V202 HydrophobicContact CG1-CG1 4.1Å; V169-V202 HydrophobicContact CG2-CB 4.08Å; V169-V202 HydrophobicContact CG2-CG2 4.48Å; L170-V202 PolarHBondContact N-O 3.12Å; V202-A204 HydrophobicContact CG1-CB 4.2Å
203	I	98.8	Very high	96.9	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.8	172.2	-52.8	-56.6	0	0	0	106.8	V150 V151 L170 Y188 L191 A192 V201 I252	V150-I203 WeakPolarHBondContact CA-O 3.41Å; V151-I203 PolarHBondContact N-O 2.75Å; L170-I203 HydrophobicContact CB-CD1 4Å; L170-I203 HydrophobicContact CD2-CD1 4.39Å; Y188-I203 HydrophobicContact CD1-CG2 3.84Å; Y188-I203 HydrophobicContact CD2-CG2 4.36Å; Y188-I203 HydrophobicContact CE1-CG2 3.38Å; Y188-I203 HydrophobicContact CE2-CG2 3.95Å; Y188-I203 HydrophobicContact CG-CG2 4.31Å; Y188-I203 VanDerWaalsContact CZ-CG2 3.44Å; L191-I203 HydrophobicContact CD2-CD1 4.07Å; L191-I203 HydrophobicContact CD2-CG1 4.49Å; L191-I203 HydrophobicContact CD2-CG2 4.1Å; L191-I203 HydrophobicContact CG-CD1 4.11Å; L191-I203 HydrophobicContact CG-CG1 4.19Å; L191-I203 HydrophobicContact CG-CG2 4.31Å; A192-I203 HydrophobicContact CB-CB 3.74Å; A192-I203 HydrophobicContact CB-CG1 4.31Å; A192-I203 HydrophobicContact CB-CG2 3.86Å; V201-I203 HydrophobicContact CG1-CD1 4.13Å; I203-I252 HydrophobicContact CD1-CD1 4.15Å; I203-I252 HydrophobicContact CD1-CG1 4.42Å
204	A	98.6	Very high	96.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.6	-169.4	0	0	0	0	0	112.2	V151 L153 V169 L170 V171 E172 Y188 V202	V151-A204 HydrophobicContact CB-CB 4.07Å; V151-A204 CarbonylContact O-C 3.56Å; V151-A204 WeakPolarHBondContact O-CA 3.47Å; V151-A204 VanDerWaalsContact O-CB 3.3Å; V151-A204 WeakPolarHBondContact O-CB 3.35Å; L153-A204 HydrophobicContact CD1-CB 3.86Å; L153-A204 HydrophobicContact CD2-CB 4.21Å; L153-A204 HydrophobicContact CG-CB 3.92Å; V169-A204 HydrophobicContact CG1-CB 4.33Å; L170-A204 PolarHBondContact O-N 3.41Å; V171-A204 CarbonylContact C-O 3.48Å; V171-A204 VanDerWaalsContact CA-O 3.29Å; V171-A204 WeakPolarHBondContact CA-O 3.48Å; V171-A204 HydrophobicContact CG2-CB 4.46Å; E172-A204 PolarHBondContact N-O 2.92Å; Y188-A204 WeakPolarHBondContact CE1-O 2.89Å; Y188-A204 PolarHBondContact OH-O 3.37Å; V202-A204 HydrophobicContact CG1-CB 4.2Å
205	N	98.5	Very high	96.9	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.134	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.5	173.8	70.6	3.7	0	0	0	112.3	V150 V151 V152 L153 E172 Y174 Y188	V150-N205 HydrophobicContact CG1-CB 4Å; V151-N205 PolarHBondContact O-N 3.15Å; V152-N205 WeakPolarHBondContact CA-OD1 3.29Å; L153-N205 WeakPolarHBondContact CB-O 3.36Å; L153-N205 PolarHBondContact N-O 3.47Å; E172-N205 HydrophobicContact CB-CB 4.05Å; E172-N205 CarbonylContact O-C 3.49Å; E172-N205 WeakPolarHBondContact O-CA 3.47Å; Y174-N205 HydrophobicContact CD1-CB 4.01Å; Y174-N205 HydrophobicContact CE1-CB 4.1Å; Y188-N205 HydrophobicContact CE1-CB 4.41Å
206	L	98.4	Very high	96.9	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	129.4	178	179.3	72.8	0	0	0	109.5	L153 F158 E172 F173 Y174 A208 H211 L214	L153-L206 HydrophobicContact CB-CB 4.27Å; L153-L206 HydrophobicContact CB-CD1 4.02Å; L153-L206 VanDerWaalsContact O-CD1 3.29Å; L153-L206 WeakPolarHBondContact O-CD1 3.37Å; F158-L206 HydrophobicContact CD2-CD2 4.24Å; F158-L206 HydrophobicContact CE2-CD2 4.29Å; E172-L206 PolarHBondContact O-N 2.68Å; F173-L206 HydrophobicContact CD1-CB 4.35Å; F173-L206 HydrophobicContact CD1-CD2 3.73Å; F173-L206 HydrophobicContact CE1-CD2 3.59Å; Y174-L206 VanDerWaalsContact CD1-C 3.48Å; Y174-L206 WeakPolarHBondContact CD1-O 3.43Å; Y174-L206 VanDerWaalsContact CE1-C 3.46Å; Y174-L206 PolarHBondContact N-O 3.02Å; L206-A208 PolarHBondContact O-N 3.43Å; L206-H211 HydrophobicContact CD1-CB 4.32Å; L206-L214 HydrophobicContact CD1-CD2 4.12Å; L206-L214 HydrophobicContact CD2-CB 4.34Å; L206-L214 HydrophobicContact CD2-CD2 3.56Å; L206-L214 HydrophobicContact CD2-CG 3.8Å
207	D	98.1	Very high	97	Very high	29 Å²	29	52.6 Å²	52.6	16%	0.155	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	95.3	167.1	-173.5	-18.4	0	0	0	109.3	Y174 P176 D209 K210 H211	Y174-D207 HydrophobicContact CE1-CB 4.21Å; P176-D207 WeakPolarHBondContact CD-OD1 3.37Å; P176-D207 VanDerWaalsContact CG-OD2 3.31Å; P176-D207 WeakPolarHBondContact CG-OD2 2.97Å; D207-D209 VanDerWaalsContact C-N 3.35Å; D207-D209 WeakPolarHBondContact OD1-CB 3.5Å; D207-D209 PolarHBondContact OD1-N 2.61Å; D207-K210 HydrophobicContact CB-CB 4.11Å; D207-K210 VanDerWaalsContact CG-CB 3.49Å; D207-K210 PolarHBondContact OD1-N 3.02Å; D207-H211 WeakPolarHBondContact O-CB 3.48Å; D207-H211 PolarHBondContact O-CD2 2.91Å; D207-H211 VanDerWaalsContact O-CD2 3.3Å; D207-H211 PolarHBondContact O-N 3.03Å
208	A	97.9	Very high	97.1	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.9	-176.6	0	0	0	0	0	112.8	F173 Y174 L206 H211 T212 A215 F223	F173-A208 HydrophobicContact CB-CB 3.98Å; F173-A208 HydrophobicContact CD1-CB 4.22Å; Y174-A208 PolarHBondContact O-N 3.05Å; L206-A208 PolarHBondContact O-N 3.43Å; A208-H211 CarbonylContact O-C 3.48Å; A208-T212 WeakPolarHBondContact O-CA 3.49Å; A208-T212 PolarHBondContact O-N 2.66Å; A208-A215 HydrophobicContact CB-CB 3.71Å; A208-F223 HydrophobicContact CB-CD1 4.25Å; A208-F223 HydrophobicContact CB-CE1 3.42Å; A208-F223 VanDerWaalsContact CB-CE1 3.42Å; A208-F223 HydrophobicContact CB-CZ 4.07Å
209	D	95.9	Very high	97.2	Very high	74 Å²	74	51.5 Å²	51.5	40%	0.396	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-39.4	170.9	-167.7	63	0	0	0	110.4	A175 W177 D207 T212	A175-D209 HydrophobicContact CB-CB 3.78Å; W177-D209 PolarHBondContact NE1-OD1 3.05Å; W177-D209 PolarHBondContact NE1-OD2 2.93Å; W177-D209 VanDerWaalsContact NE1-OD2 3.09Å; D207-D209 VanDerWaalsContact C-N 3.35Å; D207-D209 WeakPolarHBondContact OD1-CB 3.5Å; D207-D209 PolarHBondContact OD1-N 2.61Å; D209-T212 WeakPolarHBondContact O-CG2 3.04Å
210	K	97.3	Very high	97.4	Very high	147 Å²	147	43.7 Å²	43.7	64%	0.639	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-35.2	174.1	-173.3	-179.2	176.5	-169.8	0	113.3	D207	D207-K210 HydrophobicContact CB-CB 4.11Å; D207-K210 VanDerWaalsContact CG-CB 3.49Å; D207-K210 PolarHBondContact OD1-N 3.02Å
211	H	97.6	Very high	97.4	Very high	38 Å²	38	48.6 Å²	48.6	18%	0.176	28%	0.277	C	S	.	.			trans	-114.7	55.2	-173	-59.8	-58.5	0	0	0	112.5	P155 L206 D207 A208 A213 L214 A215	P155-H211 WeakPolarHBondContact CD-CE1 3.25Å; P155-H211 WeakPolarHBondContact CD-ND1 2.94Å; P155-H211 HydrophobicContact CG-CB 4.35Å; P155-H211 VanDerWaalsContact CG-ND1 3.3Å; P155-H211 WeakPolarHBondContact CG-ND1 3.46Å; L206-H211 HydrophobicContact CD1-CB 4.32Å; D207-H211 WeakPolarHBondContact O-CB 3.48Å; D207-H211 PolarHBondContact O-CD2 2.91Å; D207-H211 VanDerWaalsContact O-CD2 3.3Å; D207-H211 PolarHBondContact O-N 3.03Å; A208-H211 CarbonylContact O-C 3.48Å; H211-A213 PolarHBondContact O-N 2.93Å; H211-L214 HydrophobicContact CB-CB 4.48Å; H211-L214 PolarHBondContact O-N 2.8Å; H211-L214 VanDerWaalsContact O-N 3.13Å; H211-A215 PolarHBondContact O-N 2.82Å; H211-A215 VanDerWaalsContact O-N 3.15Å
212	T	96.8	Very high	97.3	Very high	78 Å²	78	49.2 Å²	49.2	48%	0.479	29%	0.286	S	S	.	.	H	α-helix	trans	-56.8	-43.6	-172	57.1	0	0	0	0	114.2	A208 D209 L214 A215 E216	A208-T212 WeakPolarHBondContact O-CA 3.49Å; A208-T212 PolarHBondContact O-N 2.66Å; D209-T212 WeakPolarHBondContact O-CG2 3.04Å; T212-L214 PolarHBondContact O-N 3.04Å; T212-A215 CarbonylContact O-C 3.52Å; T212-A215 WeakPolarHBondContact O-CA 3.37Å; T212-A215 WeakPolarHBondContact O-CB 3.5Å; T212-A215 PolarHBondContact O-N 2.93Å; T212-E216 WeakPolarHBondContact O-CB 3.29Å; T212-E216 WeakPolarHBondContact O-CG 3.19Å; T212-E216 PolarHBondContact O-N 2.87Å
213	A	96.9	Very high	97.3	Very high	70 Å²	70	50.8 Å²	50.8	58%	0.579	29%	0.292	S	S	*	.	H	α-helix	trans	-60.1	-35.1	179.6	0	0	0	0	0	113	H211 K217	H211-A213 PolarHBondContact O-N 2.93Å; A213-K217 PolarHBondContact O-N 3.23Å
214	L	96.5	Very high	97.2	Very high	23 Å²	23	50.7 Å²	50.7	12%	0.12	29%	0.292	C	S	.	.	H	α-helix	trans	-75.3	-35.8	176.6	-177	56.8	0	0	0	111.3	F158 L206 H211 T212 K217 Y218	F158-L214 HydrophobicContact CB-CD2 3.86Å; F158-L214 HydrophobicContact CD1-CD1 4.14Å; F158-L214 HydrophobicContact CD2-CD1 4.27Å; F158-L214 HydrophobicContact CD2-CD2 3.61Å; F158-L214 HydrophobicContact CD2-CG 4.13Å; F158-L214 HydrophobicContact CE1-CD1 4.43Å; F158-L214 HydrophobicContact CE2-CD1 4.48Å; F158-L214 HydrophobicContact CE2-CD2 4.33Å; F158-L214 HydrophobicContact CE2-CG 4.4Å; F158-L214 HydrophobicContact CG-CD1 4.08Å; F158-L214 HydrophobicContact CG-CD2 3.78Å; F158-L214 HydrophobicContact CG-CG 4.36Å; L206-L214 HydrophobicContact CD1-CD2 4.12Å; L206-L214 HydrophobicContact CD2-CB 4.34Å; L206-L214 HydrophobicContact CD2-CD2 3.56Å; L206-L214 HydrophobicContact CD2-CG 3.8Å; H211-L214 HydrophobicContact CB-CB 4.48Å; H211-L214 PolarHBondContact O-N 2.8Å; H211-L214 VanDerWaalsContact O-N 3.13Å; T212-L214 PolarHBondContact O-N 3.04Å; L214-K217 HydrophobicContact CD1-CD 4.26Å; L214-K217 WeakPolarHBondContact O-CB 3.47Å; L214-Y218 HydrophobicContact CD1-CD2 4.29Å; L214-Y218 HydrophobicContact CD1-CE2 3.83Å; L214-Y218 WeakPolarHBondContact O-CD2 3.4Å
215	A	97.3	Very high	97.2	Very high	5 Å²	5	52 Å²	52	4%	0.041	30%	0.299	C	S	.	.	H	α-helix	trans	-64.7	-44.8	173	0	0	0	0	0	111.5	F173 A208 H211 T212 K217 Y218 G219 V220	F173-A215 HydrophobicContact CD1-CB 4.47Å; A208-A215 HydrophobicContact CB-CB 3.71Å; H211-A215 PolarHBondContact O-N 2.82Å; H211-A215 VanDerWaalsContact O-N 3.15Å; T212-A215 CarbonylContact O-C 3.52Å; T212-A215 WeakPolarHBondContact O-CA 3.37Å; T212-A215 WeakPolarHBondContact O-CB 3.5Å; T212-A215 PolarHBondContact O-N 2.93Å; A215-K217 PolarHBondContact O-N 2.85Å; A215-Y218 CarbonylContact O-C 3.59Å; A215-Y218 PolarHBondContact O-N 2.9Å; A215-G219 PolarHBondContact O-N 2.84Å; A215-V220 HydrophobicContact CB-CB 3.95Å; A215-V220 HydrophobicContact CB-CG1 4.34Å; A215-V220 HydrophobicContact CB-CG2 4.37Å; A215-V220 WeakPolarHBondContact O-CB 3.49Å; A215-V220 WeakPolarHBondContact O-CG2 3.33Å; A215-V220 PolarHBondContact O-N 2.88Å
216	E	97.1	Very high	97.2	Very high	143 Å²	143	51 Å²	51	67%	0.668	29%	0.294	S	S	*	.	H	α-helix	trans	-60.9	-42	175.5	-74.6	174.4	-170.5	0	0	112	T212 Y218 G219	T212-E216 WeakPolarHBondContact O-CB 3.29Å; T212-E216 WeakPolarHBondContact O-CG 3.19Å; T212-E216 PolarHBondContact O-N 2.87Å; E216-Y218 PolarHBondContact O-N 2.89Å; E216-Y218 VanDerWaalsContact O-N 3.11Å; E216-G219 PolarHBondContact O-N 2.86Å
217	K	96.9	Very high	97.3	Very high	122 Å²	122	51.6 Å²	51.6	53%	0.53	30%	0.297	S	S	.	.	H	α-helix	trans	-51.7	-35.3	175.7	176.1	-177.4	172.7	-175.2	0	112.5	D159 A213 L214 A215	D159-K217 IonicContact OD1-NZ 2.66Å; A213-K217 PolarHBondContact O-N 3.23Å; L214-K217 HydrophobicContact CD1-CD 4.26Å; L214-K217 WeakPolarHBondContact O-CB 3.47Å; A215-K217 PolarHBondContact O-N 2.85Å
218	Y	96.4	Very high	97.3	Very high	27 Å²	27	50.3 Å²	50.3	11%	0.106	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	7.1	179	-66.3	-73	0	0	0	113.4	F158 F173 L214 A215 E216 K227 F229	F158-Y218 HydrophobicContact CD1-CE2 4.2Å; F158-Y218 HydrophobicContact CE1-CD2 4.29Å; F158-Y218 AromaticContact CE1-CE2 3.28Å; F158-Y218 HydrophobicContact CE1-CE2 3.28Å; F158-Y218 AromaticContact CE1-CZ 3.52Å; F158-Y218 VanDerWaalsContact CE1-OH 3.29Å; F158-Y218 WeakPolarHBondContact CE1-OH 3.38Å; F158-Y218 HydrophobicContact CE2-CE2 4.25Å; F158-Y218 AromaticContact CZ-CD2 3.86Å; F158-Y218 HydrophobicContact CZ-CD2 3.86Å; F158-Y218 AromaticContact CZ-CE2 3.29Å; F158-Y218 HydrophobicContact CZ-CE2 3.29Å; F158-Y218 AromaticContact CZ-CZ 3.83Å; F173-Y218 HydrophobicContact CE1-CD2 4.43Å; F173-Y218 HydrophobicContact CZ-CD2 4.11Å; F173-Y218 HydrophobicContact CZ-CG 4.39Å; L214-Y218 HydrophobicContact CD1-CD2 4.29Å; L214-Y218 HydrophobicContact CD1-CE2 3.83Å; L214-Y218 WeakPolarHBondContact O-CD2 3.4Å; A215-Y218 CarbonylContact O-C 3.59Å; A215-Y218 PolarHBondContact O-N 2.9Å; E216-Y218 PolarHBondContact O-N 2.89Å; E216-Y218 VanDerWaalsContact O-N 3.11Å; Y218-K227 WeakPolarHBondContact O-CE 3.47Å; Y218-K227 PolarHBondContact O-NZ 2.83Å; Y218-F229 AromaticContact CD1-CE1 3.92Å; Y218-F229 HydrophobicContact CD1-CE1 3.92Å; Y218-F229 AromaticContact CD1-CZ 3.98Å; Y218-F229 HydrophobicContact CD1-CZ 3.98Å; Y218-F229 AromaticContact CE1-CE1 3.6Å; Y218-F229 HydrophobicContact CE1-CE1 3.6Å; Y218-F229 HydrophobicContact CE1-CZ 4.01Å; Y218-F229 HydrophobicContact CG-CZ 4.39Å
219	G	96.3	Very high	97.3	Very high	55 Å²	55	50.2 Å²	50.2	57%	0.567	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	28.8	176	0	0	0	0	0	114.6	A215 E216 S221	A215-G219 PolarHBondContact O-N 2.84Å; E216-G219 PolarHBondContact O-N 2.86Å; G219-S221 PolarHBondContact O-N 2.95Å
220	V	97.7	Very high	97.4	Very high	19 Å²	19	47.5 Å²	47.5	12%	0.115	28%	0.276	C	S	.	.			trans	-74.8	119.4	176	177	0	0	0	0	109.9	F173 A215 F223 T225	F173-V220 HydrophobicContact CB-CG1 4.01Å; F173-V220 HydrophobicContact CB-CG2 3.93Å; F173-V220 HydrophobicContact CD1-CG2 3.72Å; F173-V220 HydrophobicContact CD2-CG2 3.93Å; F173-V220 HydrophobicContact CE1-CG2 4.16Å; F173-V220 HydrophobicContact CE2-CG2 4.36Å; F173-V220 HydrophobicContact CG-CG2 3.59Å; F173-V220 HydrophobicContact CZ-CG2 4.47Å; A215-V220 HydrophobicContact CB-CB 3.95Å; A215-V220 HydrophobicContact CB-CG1 4.34Å; A215-V220 HydrophobicContact CB-CG2 4.37Å; A215-V220 WeakPolarHBondContact O-CB 3.49Å; A215-V220 WeakPolarHBondContact O-CG2 3.33Å; A215-V220 PolarHBondContact O-N 2.88Å; V220-F223 HydrophobicContact CG1-CD1 4.26Å; V220-F223 HydrophobicContact CG1-CE1 3.86Å; V220-T225 HydrophobicContact CG2-CG2 4.09Å
221	S	95.3	Very high	97.3	Very high	125 Å²	125	44.5 Å²	44.5	87%	0.874	26%	0.263	S	S	*	.			trans	-117.4	-3.2	-178.3	57.1	0	0	0	0	114.3	G219	G219-S221 PolarHBondContact O-N 2.95Å
222	G	96.4	Very high	97.1	Very high	27 Å²	27	45.6 Å²	45.6	28%	0.278	28%	0.284	S	S	.	.	S	Bend	trans	-166.6	174.7	179.5	0	0	0	0	0	112.3	T225	G222-T225 PolarHBondContact O-OG1 2.88Å
223	F	98	Very high	97	Very high	52 Å²	52	45.1 Å²	45.1	23%	0.228	28%	0.278	C	S	.	.	S	Bend	trans	-129.9	143.7	-172.1	-50.6	-57.9	0	0	0	113.8	A175 W177 C178 A208 V220	A175-F223 HydrophobicContact CB-CB 4.38Å; A175-F223 HydrophobicContact CB-CD1 4.48Å; A175-F223 HydrophobicContact CB-CD2 3.38Å; A175-F223 HydrophobicContact CB-CE2 3.66Å; A175-F223 HydrophobicContact CB-CG 3.83Å; A175-F223 HydrophobicContact CB-CZ 4.34Å; W177-F223 HydrophobicContact CH2-CD2 4.16Å; W177-F223 HydrophobicContact CH2-CE2 4.48Å; W177-F223 HydrophobicContact CZ2-CD2 4.05Å; W177-F223 HydrophobicContact CZ2-CE2 4.01Å; C178-F223 HydrophobicContact CB-CB 4.23Å; A208-F223 HydrophobicContact CB-CD1 4.25Å; A208-F223 HydrophobicContact CB-CE1 3.42Å; A208-F223 VanDerWaalsContact CB-CE1 3.42Å; A208-F223 HydrophobicContact CB-CZ 4.07Å; V220-F223 HydrophobicContact CG1-CD1 4.26Å; V220-F223 HydrophobicContact CG1-CE1 3.86Å
224	P	98	Very high	97	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.026	26%	0.257	C	S	.	.	S	Bend	cis	-71.8	143.6	-14.7	28.5	-31.1	0	0	0	110.5	E172 F173 H180 L184 R243	E172-P224 HydrophobicContact CG-CB 4.03Å; F173-P224 WeakPolarHBondContact O-CA 3.3Å; H180-P224 HydrophobicContact CB-CG 4.49Å; L184-P224 HydrophobicContact CD2-CB 3.99Å; L184-P224 HydrophobicContact CD2-CG 3.77Å; P224-R243 VanDerWaalsContact CG-NH1 3.34Å; P224-R243 PolarHBondContact O-NH2 3.29Å
225	T	98.5	Very high	96.9	Very high	26 Å²	26	45.8 Å²	45.8	16%	0.16	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.7	165.2	-68.1	0	0	0	0	107.9	F173 V220 G222 K227	F173-T225 PolarHBondContact N-O 3.46Å; F173-T225 PolarHBondContact O-N 2.97Å; V220-T225 HydrophobicContact CG2-CG2 4.09Å; G222-T225 PolarHBondContact O-OG1 2.88Å; T225-K227 HydrophobicContact CG2-CG 4.39Å
226	L	98.7	Very high	96.8	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.9	-179.6	-72.5	149.9	0	0	0	108.7	L170 V171 E172 L184 Y188 Y239 F248	L170-L226 HydrophobicContact CG-CD2 4.47Å; V171-L226 WeakPolarHBondContact O-CA 3.24Å; E172-L226 HydrophobicContact CB-CD2 3.75Å; E172-L226 HydrophobicContact CG-CD2 4.09Å; L184-L226 HydrophobicContact CD2-CD1 4.13Å; Y188-L226 HydrophobicContact CD2-CD2 4.39Å; Y188-L226 HydrophobicContact CE2-CD2 3.62Å; L226-Y239 HydrophobicContact CB-CD1 3.89Å; L226-Y239 HydrophobicContact CB-CG 4.17Å; L226-Y239 HydrophobicContact CD1-CD1 3.7Å; L226-Y239 HydrophobicContact CD1-CE1 4.11Å; L226-Y239 HydrophobicContact CG-CD1 4.42Å; L226-Y239 PolarHBondContact O-N 3.18Å; L226-F248 HydrophobicContact CD1-CE1 3.8Å; L226-F248 HydrophobicContact CD1-CZ 3.71Å; L226-F248 HydrophobicContact CD2-CE1 4.36Å
227	K	98.6	Very high	96.8	Very high	14 Å²	14	42.7 Å²	42.7	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.9	174.8	-67.8	-177.7	179.6	-86.3	0	111.3	V171 F173 Y218 T225 F229 E237 D238	V171-K227 PolarHBondContact N-O 2.85Å; V171-K227 PolarHBondContact O-N 2.88Å; F173-K227 HydrophobicContact CE2-CB 4.09Å; F173-K227 HydrophobicContact CE2-CD 3.99Å; F173-K227 HydrophobicContact CE2-CG 4.18Å; Y218-K227 WeakPolarHBondContact O-CE 3.47Å; Y218-K227 PolarHBondContact O-NZ 2.83Å; T225-K227 HydrophobicContact CG2-CG 4.39Å; K227-F229 HydrophobicContact CB-CD2 4.46Å; K227-F229 HydrophobicContact CB-CE2 3.67Å; K227-F229 HydrophobicContact CB-CZ 4.06Å; K227-E237 CarbonylContact C-O 3.55Å; K227-E237 VanDerWaalsContact CA-O 3.25Å; K227-E237 WeakPolarHBondContact CA-O 3.46Å; K227-D238 WeakPolarHBondContact CE-OD1 3.4Å; K227-D238 IonicContact NZ-OD1 3.52Å; K227-D238 PolarHBondContact NZ-OD1 3.02Å; K227-D238 IonicContact NZ-OD2 2.66Å
228	F	98.7	Very high	96.9	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133	176.8	-176.7	-117.9	0	0	0	110.4	D168 V169 L170 P230 G236 E237 F251 I252 K255	D168-F228 HydrophobicContact CB-CE2 3.86Å; D168-F228 HydrophobicContact CB-CZ 3.81Å; V169-F228 CarbonylContact O-C 3.44Å; V169-F228 WeakPolarHBondContact O-CA 3.36Å; L170-F228 HydrophobicContact CB-CD2 4.4Å; L170-F228 HydrophobicContact CD1-CB 4.18Å; L170-F228 HydrophobicContact CD1-CD2 4.43Å; F228-P230 HydrophobicContact CD1-CB 4.45Å; F228-P230 HydrophobicContact CD1-CG 3.7Å; F228-P230 HydrophobicContact CE1-CB 3.84Å; F228-P230 HydrophobicContact CE1-CG 3.56Å; F228-P230 HydrophobicContact CZ-CB 4.43Å; F228-P230 WeakPolarHBondContact O-CD 3.3Å; F228-G236 CarbonylContact O-C 3.55Å; F228-G236 WeakPolarHBondContact O-CA 3.28Å; F228-E237 PolarHBondContact N-O 3.02Å; F228-E237 PolarHBondContact O-N 3.13Å; F228-F251 HydrophobicContact CB-CE1 4.03Å; F228-F251 HydrophobicContact CB-CZ 3.82Å; F228-F251 HydrophobicContact CD1-CE1 4.23Å; F228-F251 AromaticContact CD1-CZ 3.9Å; F228-F251 HydrophobicContact CD1-CZ 3.9Å; F228-F251 AromaticContact CD2-CE1 3.84Å; F228-F251 HydrophobicContact CD2-CE1 3.84Å; F228-F251 HydrophobicContact CD2-CZ 4.3Å; F228-F251 HydrophobicContact CE2-CE1 4.36Å; F228-F251 AromaticContact CG-CE1 3.76Å; F228-F251 HydrophobicContact CG-CE1 3.76Å; F228-F251 AromaticContact CG-CZ 3.74Å; F228-F251 HydrophobicContact CG-CZ 3.74Å; F228-I252 HydrophobicContact CE2-CD1 4.36Å; F228-K255 HydrophobicContact CD1-CG 4.48Å; F228-K255 HydrophobicContact CE1-CB 3.7Å; F228-K255 HydrophobicContact CE1-CD 4.19Å; F228-K255 HydrophobicContact CE1-CG 4.06Å; F228-K255 HydrophobicContact CZ-CB 3.76Å
229	F	98.5	Very high	97	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	86.2	-179.8	-61.7	-96.9	0	0	0	108.6	F158 V162 V169 V171 Y218 K227 K234 G236	F158-F229 HydrophobicContact CZ-CZ 4.2Å; V162-F229 HydrophobicContact CG1-CB 3.94Å; V162-F229 HydrophobicContact CG1-CD1 3.45Å; V162-F229 VanDerWaalsContact CG1-CD1 3.45Å; V162-F229 HydrophobicContact CG1-CD2 3.5Å; V162-F229 HydrophobicContact CG1-CE1 3.72Å; V162-F229 HydrophobicContact CG1-CE2 3.77Å; V162-F229 HydrophobicContact CG1-CG 3.34Å; V162-F229 HydrophobicContact CG1-CZ 3.87Å; V169-F229 HydrophobicContact CB-CB 4.25Å; V169-F229 PolarHBondContact N-O 2.94Å; V169-F229 PolarHBondContact O-N 3.17Å; V171-F229 HydrophobicContact CB-CE2 4.01Å; V171-F229 HydrophobicContact CG2-CD2 3.8Å; V171-F229 HydrophobicContact CG2-CE2 3.62Å; Y218-F229 AromaticContact CD1-CE1 3.92Å; Y218-F229 HydrophobicContact CD1-CE1 3.92Å; Y218-F229 AromaticContact CD1-CZ 3.98Å; Y218-F229 HydrophobicContact CD1-CZ 3.98Å; Y218-F229 AromaticContact CE1-CE1 3.6Å; Y218-F229 HydrophobicContact CE1-CE1 3.6Å; Y218-F229 HydrophobicContact CE1-CZ 4.01Å; Y218-F229 HydrophobicContact CG-CZ 4.39Å; K227-F229 HydrophobicContact CB-CD2 4.46Å; K227-F229 HydrophobicContact CB-CE2 3.67Å; K227-F229 HydrophobicContact CB-CZ 4.06Å; F229-K234 HydrophobicContact CB-CD 4.22Å; F229-K234 PolarHBondContact O-NZ 3.5Å; F229-K234 VanDerWaalsContact O-NZ 3.15Å; F229-G236 VanDerWaalsContact CE1-CA 3.5Å
230	P	98	Very high	96.9	Very high	17 Å²	17	45.4 Å²	45.4	11%	0.11	28%	0.28	C	S	.	.			trans	-55.9	157.8	-178.8	-15.4	18.6	0	0	0	113.4	D168 F228 G232 N233 K234 E237	D168-P230 WeakPolarHBondContact OD1-CA 3.38Å; F228-P230 HydrophobicContact CD1-CB 4.45Å; F228-P230 HydrophobicContact CD1-CG 3.7Å; F228-P230 HydrophobicContact CE1-CB 3.84Å; F228-P230 HydrophobicContact CE1-CG 3.56Å; F228-P230 HydrophobicContact CZ-CB 4.43Å; F228-P230 WeakPolarHBondContact O-CD 3.3Å; P230-G232 PolarHBondContact O-N 3.16Å; P230-N233 HydrophobicContact CB-CB 4.28Å; P230-N233 VanDerWaalsContact CD-O 3.25Å; P230-N233 WeakPolarHBondContact CD-O 3.48Å; P230-N233 HydrophobicContact CG-CB 4.25Å; P230-N233 CarbonylContact O-C 3.55Å; P230-N233 PolarHBondContact O-N 3.35Å; P230-K234 WeakPolarHBondContact O-CD 3.42Å; P230-K234 VanDerWaalsContact O-CE 3.26Å; P230-K234 WeakPolarHBondContact O-CE 3.21Å; P230-K234 PolarHBondContact O-NZ 3.44Å; P230-E237 WeakPolarHBondContact CG-OE1 3.34Å
231	K	95.1	Very high	96.9	Very high	84 Å²	84	46.3 Å²	46.3	37%	0.365	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	132.8	162.6	-73.8	173.5	-177.7	124.1	0	110	E165 T166 K167 D168 G200 N233	E165-K231 WeakPolarHBondContact O-CA 3.42Å; T166-K231 WeakPolarHBondContact O-CE 3.38Å; K167-K231 VanDerWaalsContact C-CG 3.4Å; D168-K231 WeakPolarHBondContact OD1-CG 3.26Å; D168-K231 PolarHBondContact OD1-N 3.32Å; D168-K231 WeakPolarHBondContact OD2-CD 3.11Å; D168-K231 VanDerWaalsContact OD2-CE 3.26Å; D168-K231 WeakPolarHBondContact OD2-CE 3.42Å; D168-K231 IonicContact OD2-NZ 3.6Å; D168-K231 PolarHBondContact OD2-NZ 2.93Å; G200-K231 WeakPolarHBondContact O-CE 3.41Å; G200-K231 PolarHBondContact O-NZ 3.49Å; G200-K231 VanDerWaalsContact O-NZ 3.12Å; K231-N233 PolarHBondContact O-N 3.33Å
232	G	93.1	Very high	97	Very high	60 Å²	60	41.9 Å²	41.9	62%	0.619	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-4.3	-179.1	0	0	0	0	0	116.8	E165 P230	E165-G232 PolarHBondContact O-N 3.43Å; P230-G232 PolarHBondContact O-N 3.16Å
233	N	94.6	Very high	97	Very high	68 Å²	68	45.6 Å²	45.6	36%	0.364	27%	0.272	S	S	.	.			trans	-131.3	104.2	172.3	179.9	9.6	0	0	0	110.8	P230 K231 A235 E237	P230-N233 HydrophobicContact CB-CB 4.28Å; P230-N233 VanDerWaalsContact CD-O 3.25Å; P230-N233 WeakPolarHBondContact CD-O 3.48Å; P230-N233 HydrophobicContact CG-CB 4.25Å; P230-N233 CarbonylContact O-C 3.55Å; P230-N233 PolarHBondContact O-N 3.35Å; K231-N233 PolarHBondContact O-N 3.33Å; N233-A235 PolarHBondContact OD1-N 3.31Å; N233-E237 PolarHBondContact ND2-OE1 2.94Å
234	K	96.6	Very high	97	Very high	32 Å²	32	48.5 Å²	48.5	14%	0.139	29%	0.286	C	S	.	.			trans	-107.6	16.6	-173.5	-57.2	-55.6	-174.4	172.7	0	114.7	V162 L163 D164 E165 K167 F229 P230 G236	V162-K234 WeakPolarHBondContact O-CD 3.41Å; V162-K234 WeakPolarHBondContact O-CE 3.38Å; V162-K234 PolarHBondContact O-NZ 2.91Å; L163-K234 HydrophobicContact CD2-CB 3.83Å; D164-K234 VanDerWaalsContact C-CE 3.47Å; D164-K234 WeakPolarHBondContact O-CE 3.47Å; D164-K234 PolarHBondContact O-NZ 3.27Å; E165-K234 HydrophobicContact CG-CG 4.42Å; K167-K234 PolarHBondContact O-NZ 3.44Å; F229-K234 HydrophobicContact CB-CD 4.22Å; F229-K234 PolarHBondContact O-NZ 3.5Å; F229-K234 VanDerWaalsContact O-NZ 3.15Å; P230-K234 WeakPolarHBondContact O-CD 3.42Å; P230-K234 VanDerWaalsContact O-CE 3.26Å; P230-K234 WeakPolarHBondContact O-CE 3.21Å; P230-K234 PolarHBondContact O-NZ 3.44Å; K234-G236 VanDerWaalsContact C-N 3.25Å; K234-G236 PolarHBondContact O-N 3.45Å
235	A	94.7	Very high	97.1	Very high	75 Å²	75	49.6 Å²	49.6	62%	0.62	29%	0.292	S	S	*	.	S	Bend	trans	-67.6	-28	173.6	0	0	0	0	0	112.6	N233	N233-A235 PolarHBondContact OD1-N 3.31Å
236	G	95.6	Very high	97	Very high	20 Å²	20	53.2 Å²	53.2	21%	0.206	31%	0.31	C	S	.	.			trans	85.1	124	-173	0	0	0	0	0	111.5	F228 F229 K234	F228-G236 CarbonylContact O-C 3.55Å; F228-G236 WeakPolarHBondContact O-CA 3.28Å; F229-G236 VanDerWaalsContact CE1-CA 3.5Å; K234-G236 VanDerWaalsContact C-N 3.25Å; K234-G236 PolarHBondContact O-N 3.45Å
237	E	97.4	Very high	97	Very high	64 Å²	64	56.2 Å²	56.2	30%	0.299	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.6	174.7	-64.3	174.1	-162.6	0	0	108.7	K227 F228 P230 N233 K255	K227-E237 CarbonylContact C-O 3.55Å; K227-E237 VanDerWaalsContact CA-O 3.25Å; K227-E237 WeakPolarHBondContact CA-O 3.46Å; F228-E237 PolarHBondContact N-O 3.02Å; F228-E237 PolarHBondContact O-N 3.13Å; P230-E237 WeakPolarHBondContact CG-OE1 3.34Å; N233-E237 PolarHBondContact ND2-OE1 2.94Å; E237-K255 IonicContact OE2-NZ 2.69Å; E237-K255 PolarHBondContact OE2-NZ 2.71Å
238	D	97.9	Very high	97	Very high	95 Å²	95	55.6 Å²	55.6	51%	0.508	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	135.5	173.4	-71.8	-41.4	0	0	0	110.8	K227	K227-D238 WeakPolarHBondContact CE-OD1 3.4Å; K227-D238 IonicContact NZ-OD1 3.52Å; K227-D238 PolarHBondContact NZ-OD1 3.02Å; K227-D238 IonicContact NZ-OD2 2.66Å
239	Y	98.3	Very high	97	Very high	12 Å²	12	55.9 Å²	55.9	5%	0.047	33%	0.326	C	S	.	.			trans	-94.8	107.8	168.3	174.8	-88.4	0	0	0	109.2	L226 G241 G242 F248 F251	L226-Y239 HydrophobicContact CB-CD1 3.89Å; L226-Y239 HydrophobicContact CB-CG 4.17Å; L226-Y239 HydrophobicContact CD1-CD1 3.7Å; L226-Y239 HydrophobicContact CD1-CE1 4.11Å; L226-Y239 HydrophobicContact CG-CD1 4.42Å; L226-Y239 PolarHBondContact O-N 3.18Å; Y239-G241 WeakPolarHBondContact CE1-O 3.45Å; Y239-G242 WeakPolarHBondContact CE1-O 3.49Å; Y239-G242 PolarHBondContact OH-O 3.39Å; Y239-F248 AromaticContact CD1-CE1 3.96Å; Y239-F248 HydrophobicContact CD1-CE1 3.96Å; Y239-F248 AromaticContact CE1-CD1 3.93Å; Y239-F248 HydrophobicContact CE1-CD1 3.93Å; Y239-F248 AromaticContact CE1-CE1 3.36Å; Y239-F248 HydrophobicContact CE1-CE1 3.36Å; Y239-F248 HydrophobicContact CE1-CZ 4.04Å; Y239-F248 HydrophobicContact CE2-CD1 4.12Å; Y239-F248 HydrophobicContact CE2-CE1 4.3Å; Y239-F248 AromaticContact CZ-CD1 3.6Å; Y239-F248 AromaticContact CZ-CE1 3.55Å; Y239-F251 AromaticContact CD2-CD1 3.79Å; Y239-F251 HydrophobicContact CD2-CD1 3.79Å; Y239-F251 AromaticContact CD2-CD2 3.78Å; Y239-F251 HydrophobicContact CD2-CD2 3.78Å; Y239-F251 AromaticContact CD2-CE1 3.8Å; Y239-F251 HydrophobicContact CD2-CE1 3.8Å; Y239-F251 AromaticContact CD2-CE2 3.77Å; Y239-F251 HydrophobicContact CD2-CE2 3.77Å; Y239-F251 AromaticContact CD2-CG 3.79Å; Y239-F251 HydrophobicContact CD2-CG 3.79Å; Y239-F251 AromaticContact CD2-CZ 3.78Å; Y239-F251 HydrophobicContact CD2-CZ 3.78Å; Y239-F251 HydrophobicContact CE2-CB 3.75Å; Y239-F251 AromaticContact CE2-CD1 3.76Å; Y239-F251 HydrophobicContact CE2-CD1 3.76Å; Y239-F251 AromaticContact CE2-CD2 3.7Å; Y239-F251 HydrophobicContact CE2-CD2 3.7Å; Y239-F251 HydrophobicContact CE2-CE1 4.26Å; Y239-F251 HydrophobicContact CE2-CE2 4.19Å; Y239-F251 AromaticContact CE2-CG 3.46Å; Y239-F251 HydrophobicContact CE2-CG 3.46Å; Y239-F251 VanDerWaalsContact CE2-CG 3.46Å; Y239-F251 HydrophobicContact CE2-CZ 4.45Å
240	D	95.4	Very high	97	Very high	154 Å²	154	62.7 Å²	62.7	82%	0.824	36%	0.355	S	S	*	.			trans	-104.2	11.7	178.1	-63	-48.2	0	0	0	113.1
241	G	97.1	Very high	97.1	Very high	37 Å²	37	63.6 Å²	63.6	38%	0.381	36%	0.357	S	S	.	.	S	Bend	trans	-72.9	176.3	179.7	0	0	0	0	0	113.8	Y239	Y239-G241 WeakPolarHBondContact CE1-O 3.45Å
242	G	97.6	Very high	97.2	Very high	32 Å²	32	59.6 Å²	59.6	33%	0.33	34%	0.34	S	S	.	.			trans	-63.1	159.7	174.1	0	0	0	0	0	112.4	Y239 D247	Y239-G242 WeakPolarHBondContact CE1-O 3.49Å; Y239-G242 PolarHBondContact OH-O 3.39Å; G242-D247 VanDerWaalsContact C-OD2 3.28Å; G242-D247 VanDerWaalsContact CA-OD2 3.23Å; G242-D247 WeakPolarHBondContact CA-OD2 3.4Å; G242-D247 WeakPolarHBondContact O-CB 3.33Å
243	R	97.5	Very high	97.5	Very high	106 Å²	106	58.2 Å²	58.2	40%	0.4	32%	0.319	S	S	.	.			trans	-110.3	15.9	-173.9	-65.6	-179.7	-176.6	-176.8	-7.7	112.9	L184 I187 P224 F248	L184-R243 HydrophobicContact CD1-CB 4.37Å; I187-R243 WeakPolarHBondContact CD1-O 3.04Å; P224-R243 VanDerWaalsContact CG-NH1 3.34Å; P224-R243 PolarHBondContact O-NH2 3.29Å; R243-F248 HydrophobicContact CB-CE2 4.38Å; R243-F248 HydrophobicContact CB-CZ 4.45Å; R243-F248 HydrophobicContact CG-CZ 4.39Å
244	E	98	Very high	97.6	Very high	112 Å²	112	61.9 Å²	61.9	52%	0.523	33%	0.333	S	S	.	.	S	Bend	trans	-86.5	159.2	169	-59.9	-58.3	144.7	0	0	110.6	D246 D247 F248	E244-D246 VanDerWaalsContact C-N 3.3Å; E244-D246 PolarHBondContact O-N 3.36Å; E244-D247 WeakPolarHBondContact CB-OD2 3.48Å; E244-D247 PolarHBondContact N-OD2 2.99Å; E244-D247 WeakPolarHBondContact O-CB 3.48Å; E244-D247 PolarHBondContact O-N 2.91Å; E244-F248 VanDerWaalsContact O-CD2 3.26Å; E244-F248 WeakPolarHBondContact O-CD2 3.38Å; E244-F248 PolarHBondContact O-N 3.41Å
245	L	98.2	Very high	97.6	Very high	28 Å²	28	64.7 Å²	64.7	15%	0.147	35%	0.346	C	S	.	.	H	α-helix	trans	-56.1	-44.8	-177	179.3	59.4	0	0	0	112.2	I187 K190 L191 V194 D247 F248 V249	I187-L245 HydrophobicContact CG2-CB 4.12Å; K190-L245 HydrophobicContact CB-CD1 4.04Å; K190-L245 HydrophobicContact CB-CD2 4.02Å; K190-L245 HydrophobicContact CD-CD2 4.28Å; L191-L245 HydrophobicContact CB-CD1 4.01Å; L191-L245 HydrophobicContact CD1-CD1 4.43Å; V194-L245 HydrophobicContact CG2-CD1 4.44Å; L245-D247 VanDerWaalsContact C-N 3.3Å; L245-D247 PolarHBondContact O-N 2.97Å; L245-F248 PolarHBondContact O-N 3.43Å; L245-V249 HydrophobicContact CD1-CG2 4.09Å; L245-V249 HydrophobicContact CG-CG2 4.28Å; L245-V249 VanDerWaalsContact O-CG2 3.3Å; L245-V249 WeakPolarHBondContact O-CG2 3.48Å; L245-V249 PolarHBondContact O-N 3.16Å
246	D	98.1	Very high	97.6	Very high	102 Å²	102	62 Å²	62	55%	0.545	32%	0.322	S	S	.	.	H	α-helix	trans	-67.1	-31.1	-177.2	-68.6	-23.7	0	0	0	112.3	E244 V249 K250 S262	E244-D246 VanDerWaalsContact C-N 3.3Å; E244-D246 PolarHBondContact O-N 3.36Å; D246-V249 PolarHBondContact O-N 3.36Å; D246-K250 VanDerWaalsContact O-CB 3.31Å; D246-K250 WeakPolarHBondContact O-CB 3.16Å; D246-K250 PolarHBondContact O-N 2.82Å; D246-S262 WeakPolarHBondContact OD1-CB 3.45Å; D246-S262 PolarHBondContact OD1-OG 3.48Å
247	D	98.6	Very high	97.5	Very high	67 Å²	67	64.2 Å²	64.2	36%	0.358	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-46.4	175.2	-62.4	-46.5	0	0	0	110.7	G242 E244 L245 K250 F251	G242-D247 VanDerWaalsContact C-OD2 3.28Å; G242-D247 VanDerWaalsContact CA-OD2 3.23Å; G242-D247 WeakPolarHBondContact CA-OD2 3.4Å; G242-D247 WeakPolarHBondContact O-CB 3.33Å; E244-D247 WeakPolarHBondContact CB-OD2 3.48Å; E244-D247 PolarHBondContact N-OD2 2.99Å; E244-D247 WeakPolarHBondContact O-CB 3.48Å; E244-D247 PolarHBondContact O-N 2.91Å; L245-D247 VanDerWaalsContact C-N 3.3Å; L245-D247 PolarHBondContact O-N 2.97Å; D247-K250 PolarHBondContact O-N 3.36Å; D247-F251 WeakPolarHBondContact O-CB 3.45Å; D247-F251 PolarHBondContact O-N 3.42Å
248	F	98.8	Very high	97.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-43.6	176.7	-72.4	-64.3	0	0	0	112.5	L170 L184 I187 L191 L226 Y239 R243 E244 L245 K250 F251 I252	L170-F248 HydrophobicContact CD2-CD1 3.92Å; L170-F248 HydrophobicContact CD2-CE1 4.13Å; L184-F248 HydrophobicContact CD1-CE2 3.66Å; L184-F248 HydrophobicContact CD1-CZ 3.9Å; I187-F248 HydrophobicContact CG2-CD2 4.23Å; I187-F248 HydrophobicContact CG2-CE2 4.28Å; L191-F248 HydrophobicContact CD1-CB 3.51Å; L191-F248 HydrophobicContact CD1-CG 4.49Å; L191-F248 HydrophobicContact CD2-CB 3.55Å; L191-F248 HydrophobicContact CD2-CD1 3.92Å; L191-F248 HydrophobicContact CD2-CD2 4.19Å; L191-F248 HydrophobicContact CD2-CG 3.65Å; L191-F248 HydrophobicContact CG-CB 4.08Å; L226-F248 HydrophobicContact CD1-CE1 3.8Å; L226-F248 HydrophobicContact CD1-CZ 3.71Å; L226-F248 HydrophobicContact CD2-CE1 4.36Å; Y239-F248 AromaticContact CD1-CE1 3.96Å; Y239-F248 HydrophobicContact CD1-CE1 3.96Å; Y239-F248 AromaticContact CE1-CD1 3.93Å; Y239-F248 HydrophobicContact CE1-CD1 3.93Å; Y239-F248 AromaticContact CE1-CE1 3.36Å; Y239-F248 HydrophobicContact CE1-CE1 3.36Å; Y239-F248 HydrophobicContact CE1-CZ 4.04Å; Y239-F248 HydrophobicContact CE2-CD1 4.12Å; Y239-F248 HydrophobicContact CE2-CE1 4.3Å; Y239-F248 AromaticContact CZ-CD1 3.6Å; Y239-F248 AromaticContact CZ-CE1 3.55Å; R243-F248 HydrophobicContact CB-CE2 4.38Å; R243-F248 HydrophobicContact CB-CZ 4.45Å; R243-F248 HydrophobicContact CG-CZ 4.39Å; E244-F248 VanDerWaalsContact O-CD2 3.26Å; E244-F248 WeakPolarHBondContact O-CD2 3.38Å; E244-F248 PolarHBondContact O-N 3.41Å; L245-F248 PolarHBondContact O-N 3.43Å; F248-K250 VanDerWaalsContact C-N 3.3Å; F248-K250 PolarHBondContact O-N 3.05Å; F248-F251 PolarHBondContact O-N 3.19Å; F248-I252 WeakPolarHBondContact O-CG1 3.36Å; F248-I252 PolarHBondContact O-N 3.06Å
249	V	98.7	Very high	97.4	Very high	9 Å²	9	58.7 Å²	58.7	6%	0.055	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-43.9	178.1	169.2	0	0	0	0	110.5	L191 V194 Y195 L245 D246 F251 N253 R260	L191-V249 HydrophobicContact CD1-CG2 4.2Å; V194-V249 HydrophobicContact CG1-CG2 4.13Å; V194-V249 HydrophobicContact CG2-CG2 4.31Å; Y195-V249 HydrophobicContact CE2-CG2 4.45Å; Y195-V249 WeakPolarHBondContact OH-CA 3.43Å; Y195-V249 PolarHBondContact OH-O 3.02Å; L245-V249 HydrophobicContact CD1-CG2 4.09Å; L245-V249 HydrophobicContact CG-CG2 4.28Å; L245-V249 VanDerWaalsContact O-CG2 3.3Å; L245-V249 WeakPolarHBondContact O-CG2 3.48Å; L245-V249 PolarHBondContact O-N 3.16Å; D246-V249 PolarHBondContact O-N 3.36Å; V249-F251 PolarHBondContact O-N 3.11Å; V249-N253 VanDerWaalsContact O-CB 3.3Å; V249-N253 WeakPolarHBondContact O-CB 3.35Å; V249-N253 PolarHBondContact O-N 3.49Å; V249-N253 PolarHBondContact O-ND2 3.15Å; V249-R260 VanDerWaalsContact CG1-O 3.22Å; V249-R260 WeakPolarHBondContact CG1-O 3.42Å
250	K	98.4	Very high	97.4	Very high	143 Å²	143	58.4 Å²	58.4	62%	0.622	32%	0.319	S	S	*	.	H	α-helix	trans	-58.6	-49.9	174.4	-177.9	-175.5	174.8	-171.8	0	111.4	D246 D247 F248 N253 E254	D246-K250 VanDerWaalsContact O-CB 3.31Å; D246-K250 WeakPolarHBondContact O-CB 3.16Å; D246-K250 PolarHBondContact O-N 2.82Å; D247-K250 PolarHBondContact O-N 3.36Å; F248-K250 VanDerWaalsContact C-N 3.3Å; F248-K250 PolarHBondContact O-N 3.05Å; K250-N253 PolarHBondContact O-N 3.29Å; K250-E254 WeakPolarHBondContact O-CB 3.5Å; K250-E254 PolarHBondContact O-N 2.9Å
251	F	98.7	Very high	97.5	Very high	35 Å²	35	53.5 Å²	53.5	15%	0.154	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-48	-179.5	174.1	-96.2	0	0	0	112.6	L170 F228 Y239 D247 F248 V249 E254 K255	L170-F251 HydrophobicContact CD1-CE1 4.39Å; F228-F251 HydrophobicContact CB-CE1 4.03Å; F228-F251 HydrophobicContact CB-CZ 3.82Å; F228-F251 HydrophobicContact CD1-CE1 4.23Å; F228-F251 AromaticContact CD1-CZ 3.9Å; F228-F251 HydrophobicContact CD1-CZ 3.9Å; F228-F251 AromaticContact CD2-CE1 3.84Å; F228-F251 HydrophobicContact CD2-CE1 3.84Å; F228-F251 HydrophobicContact CD2-CZ 4.3Å; F228-F251 HydrophobicContact CE2-CE1 4.36Å; F228-F251 AromaticContact CG-CE1 3.76Å; F228-F251 HydrophobicContact CG-CE1 3.76Å; F228-F251 AromaticContact CG-CZ 3.74Å; F228-F251 HydrophobicContact CG-CZ 3.74Å; Y239-F251 AromaticContact CD2-CD1 3.79Å; Y239-F251 HydrophobicContact CD2-CD1 3.79Å; Y239-F251 AromaticContact CD2-CD2 3.78Å; Y239-F251 HydrophobicContact CD2-CD2 3.78Å; Y239-F251 AromaticContact CD2-CE1 3.8Å; Y239-F251 HydrophobicContact CD2-CE1 3.8Å; Y239-F251 AromaticContact CD2-CE2 3.77Å; Y239-F251 HydrophobicContact CD2-CE2 3.77Å; Y239-F251 AromaticContact CD2-CG 3.79Å; Y239-F251 HydrophobicContact CD2-CG 3.79Å; Y239-F251 AromaticContact CD2-CZ 3.78Å; Y239-F251 HydrophobicContact CD2-CZ 3.78Å; Y239-F251 HydrophobicContact CE2-CB 3.75Å; Y239-F251 AromaticContact CE2-CD1 3.76Å; Y239-F251 HydrophobicContact CE2-CD1 3.76Å; Y239-F251 AromaticContact CE2-CD2 3.7Å; Y239-F251 HydrophobicContact CE2-CD2 3.7Å; Y239-F251 HydrophobicContact CE2-CE1 4.26Å; Y239-F251 HydrophobicContact CE2-CE2 4.19Å; Y239-F251 AromaticContact CE2-CG 3.46Å; Y239-F251 HydrophobicContact CE2-CG 3.46Å; Y239-F251 VanDerWaalsContact CE2-CG 3.46Å; Y239-F251 HydrophobicContact CE2-CZ 4.45Å; D247-F251 WeakPolarHBondContact O-CB 3.45Å; D247-F251 PolarHBondContact O-N 3.42Å; F248-F251 PolarHBondContact O-N 3.19Å; V249-F251 PolarHBondContact O-N 3.11Å; F251-E254 PolarHBondContact O-N 3.21Å; F251-K255 HydrophobicContact CD1-CG 4.45Å; F251-K255 HydrophobicContact CD2-CG 4.03Å; F251-K255 HydrophobicContact CE1-CG 4.12Å; F251-K255 HydrophobicContact CE2-CD 4.35Å; F251-K255 HydrophobicContact CE2-CG 3.68Å; F251-K255 HydrophobicContact CG-CG 4.41Å; F251-K255 HydrophobicContact CZ-CD 4.49Å; F251-K255 HydrophobicContact CZ-CG 3.73Å; F251-K255 WeakPolarHBondContact O-CB 2.85Å; F251-K255 WeakPolarHBondContact O-CG 3.39Å; F251-K255 PolarHBondContact O-N 2.8Å
252	I	98.6	Very high	97.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-67.7	-40.6	-178.6	-64.2	-66.8	0	0	0	110.7	L170 Y195 V201 I203 F228 F248 E254 C256 T258	L170-I252 HydrophobicContact CB-CD1 4.2Å; L170-I252 HydrophobicContact CD2-CD1 4.26Å; Y195-I252 HydrophobicContact CD1-CG2 3.84Å; Y195-I252 HydrophobicContact CD2-CB 4.4Å; Y195-I252 HydrophobicContact CD2-CG2 3.87Å; Y195-I252 HydrophobicContact CE1-CB 4.27Å; Y195-I252 HydrophobicContact CE1-CG2 3.48Å; Y195-I252 VanDerWaalsContact CE1-CG2 3.48Å; Y195-I252 HydrophobicContact CE2-CB 3.63Å; Y195-I252 HydrophobicContact CE2-CG1 4.08Å; Y195-I252 HydrophobicContact CE2-CG2 3.47Å; Y195-I252 VanDerWaalsContact CE2-CG2 3.47Å; Y195-I252 HydrophobicContact CG-CG2 4.05Å; V201-I252 HydrophobicContact CG1-CG2 3.8Å; V201-I252 HydrophobicContact CG2-CG2 4.36Å; I203-I252 HydrophobicContact CD1-CD1 4.15Å; I203-I252 HydrophobicContact CD1-CG1 4.42Å; F228-I252 HydrophobicContact CE2-CD1 4.36Å; F248-I252 WeakPolarHBondContact O-CG1 3.36Å; F248-I252 PolarHBondContact O-N 3.06Å; I252-E254 VanDerWaalsContact C-N 3.34Å; I252-E254 PolarHBondContact O-N 3.01Å; I252-C256 HydrophobicContact CG2-CB 4.3Å; I252-C256 WeakPolarHBondContact O-CA 3.37Å; I252-C256 WeakPolarHBondContact O-CB 3.4Å; I252-C256 PolarHBondContact O-N 2.97Å; I252-C256 PolarHBondContact O-SG 3.05Å; I252-C256 VanDerWaalsContact O-SG 3.37Å; I252-T258 PolarHBondContact O-OG1 3.47Å
253	N	97.9	Very high	97.3	Very high	31 Å²	31	60.7 Å²	60.7	17%	0.166	31%	0.311	C	S	.	.	H	α-helix	trans	-57.8	-47.2	173.6	-74.3	-13.4	0	0	0	111.7	Y195 V249 K250 G257 T258 R260	Y195-N253 PolarHBondContact OH-OD1 2.99Å; V249-N253 VanDerWaalsContact O-CB 3.3Å; V249-N253 WeakPolarHBondContact O-CB 3.35Å; V249-N253 PolarHBondContact O-N 3.49Å; V249-N253 PolarHBondContact O-ND2 3.15Å; K250-N253 PolarHBondContact O-N 3.29Å; N253-G257 WeakPolarHBondContact O-CA 3.31Å; N253-G257 PolarHBondContact O-N 2.96Å; N253-T258 WeakPolarHBondContact CA-O 3.29Å; N253-T258 WeakPolarHBondContact CA-OG1 3.34Å; N253-T258 VanDerWaalsContact CB-O 3.29Å; N253-T258 WeakPolarHBondContact CB-O 3.31Å; N253-T258 PolarHBondContact O-N 2.8Å; N253-T258 PolarHBondContact OD1-O 2.92Å; N253-T258 PolarHBondContact OD1-OG1 3.35Å; N253-R260 PolarHBondContact ND2-N 3.01Å; N253-R260 PolarHBondContact ND2-O 3.33Å; N253-R260 PolarHBondContact OD1-N 3.48Å; N253-R260 VanDerWaalsContact OD1-N 3.08Å
254	E	96.8	Very high	97.2	Very high	144 Å²	144	56.4 Å²	56.4	67%	0.673	30%	0.3	S	S	*	.	H	α-helix	trans	-64.9	-48.6	-179.9	-174.7	179.8	159.8	0	0	112.3	K250 F251 I252	K250-E254 WeakPolarHBondContact O-CB 3.5Å; K250-E254 PolarHBondContact O-N 2.9Å; F251-E254 PolarHBondContact O-N 3.21Å; I252-E254 VanDerWaalsContact C-N 3.34Å; I252-E254 PolarHBondContact O-N 3.01Å
255	K	96.9	Very high	97.1	Very high	92 Å²	92	56.9 Å²	56.9	40%	0.4	30%	0.302	S	S	.	.	H	α-helix	trans	-77	-32.8	-175.1	-71.5	-70.2	-170.6	159.3	0	113.6	F228 E237 F251	F228-K255 HydrophobicContact CD1-CG 4.48Å; F228-K255 HydrophobicContact CE1-CB 3.7Å; F228-K255 HydrophobicContact CE1-CD 4.19Å; F228-K255 HydrophobicContact CE1-CG 4.06Å; F228-K255 HydrophobicContact CZ-CB 3.76Å; E237-K255 IonicContact OE2-NZ 2.69Å; E237-K255 PolarHBondContact OE2-NZ 2.71Å; F251-K255 HydrophobicContact CD1-CG 4.45Å; F251-K255 HydrophobicContact CD2-CG 4.03Å; F251-K255 HydrophobicContact CE1-CG 4.12Å; F251-K255 HydrophobicContact CE2-CD 4.35Å; F251-K255 HydrophobicContact CE2-CG 3.68Å; F251-K255 HydrophobicContact CG-CG 4.41Å; F251-K255 HydrophobicContact CZ-CD 4.49Å; F251-K255 HydrophobicContact CZ-CG 3.73Å; F251-K255 WeakPolarHBondContact O-CB 2.85Å; F251-K255 WeakPolarHBondContact O-CG 3.39Å; F251-K255 PolarHBondContact O-N 2.8Å
256	C	95.9	Very high	97.1	Very high	18 Å²	18	56.8 Å²	56.8	12%	0.122	30%	0.301	C	S	.	.	H	α-helix	trans	-102.8	-4.5	-173	-51.8	0	0	0	0	113.3	D168 V201 I252 T258	D168-C256 HydrophobicContact CB-CB 4.34Å; D168-C256 WeakPolarHBondContact CB-SG 3.45Å; V201-C256 HydrophobicContact CG2-CB 3.78Å; I252-C256 HydrophobicContact CG2-CB 4.3Å; I252-C256 WeakPolarHBondContact O-CA 3.37Å; I252-C256 WeakPolarHBondContact O-CB 3.4Å; I252-C256 PolarHBondContact O-N 2.97Å; I252-C256 PolarHBondContact O-SG 3.05Å; I252-C256 VanDerWaalsContact O-SG 3.37Å; C256-T258 VanDerWaalsContact C-N 3.26Å; C256-T258 HydrophobicContact CB-CG2 4.2Å; C256-T258 PolarHBondContact O-N 2.82Å
257	G	93.3	Very high	97.1	Very high	67 Å²	67	53.9 Å²	53.9	69%	0.691	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	30.1	-176.2	0	0	0	0	0	113.1	N253	N253-G257 WeakPolarHBondContact O-CA 3.31Å; N253-G257 PolarHBondContact O-N 2.96Å
258	T	95.8	Very high	97	Very high	21 Å²	21	55 Å²	55	13%	0.129	30%	0.3	C	S	.	.			trans	-95.6	167.1	174.6	53.4	0	0	0	0	110.3	Y195 D198 V201 I252 N253 C256	Y195-T258 VanDerWaalsContact CE1-OG1 3.31Å; Y195-T258 WeakPolarHBondContact CE1-OG1 3.38Å; D198-T258 HydrophobicContact CB-CG2 4.27Å; V201-T258 HydrophobicContact CG2-CG2 4.03Å; I252-T258 PolarHBondContact O-OG1 3.47Å; N253-T258 WeakPolarHBondContact CA-O 3.29Å; N253-T258 WeakPolarHBondContact CA-OG1 3.34Å; N253-T258 VanDerWaalsContact CB-O 3.29Å; N253-T258 WeakPolarHBondContact CB-O 3.31Å; N253-T258 PolarHBondContact O-N 2.8Å; N253-T258 PolarHBondContact OD1-O 2.92Å; N253-T258 PolarHBondContact OD1-OG1 3.35Å; C256-T258 VanDerWaalsContact C-N 3.26Å; C256-T258 HydrophobicContact CB-CG2 4.2Å; C256-T258 PolarHBondContact O-N 2.82Å
259	S	97.3	Very high	96.8	Very high	21 Å²	21	61.4 Å²	61.4	15%	0.147	33%	0.33	C	S	.	.			trans	-142.9	64.3	-174.9	-51.6	0	0	0	0	110.4	L266 T267	S259-L266 CarbonylContact O-C 3.43Å; S259-L266 VanDerWaalsContact O-CA 3.29Å; S259-L266 WeakPolarHBondContact O-CA 3.29Å; S259-T267 PolarHBondContact O-N 3.09Å; S259-T267 PolarHBondContact O-OG1 2.82Å
260	R	98.1	Very high	96.7	Very high	7 Å²	7	61.1 Å²	61.1	3%	0.026	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-107.3	150.3	179.5	-66.8	-163.8	-173.1	-83.9	-12.4	113.4	V194 Y195 D198 V249 N253 G264 Q265 L266 D352	V194-R260 HydrophobicContact CG1-CB 3.81Å; V194-R260 WeakPolarHBondContact O-CD 3.45Å; V194-R260 PolarHBondContact O-NE 3.45Å; Y195-R260 HydrophobicContact CE1-CB 4.19Å; Y195-R260 HydrophobicContact CE1-CG 4.27Å; D198-R260 VanDerWaalsContact CG-NH2 3.31Å; D198-R260 IonicContact OD1-CZ 2.77Å; D198-R260 IonicContact OD1-NE 3.91Å; D198-R260 PolarHBondContact OD1-NE 3.09Å; D198-R260 IonicContact OD1-NH2 3.49Å; D198-R260 PolarHBondContact OD1-NH2 3.05Å; D198-R260 IonicContact OD2-CZ 3.58Å; D198-R260 VanDerWaalsContact OD2-CZ 3.29Å; D198-R260 IonicContact OD2-NE 2.7Å; D198-R260 PolarHBondContact OD2-NE 3.29Å; D198-R260 IonicContact OD2-NH2 2.73Å; D198-R260 PolarHBondContact OD2-NH2 3.5Å; V249-R260 VanDerWaalsContact CG1-O 3.22Å; V249-R260 WeakPolarHBondContact CG1-O 3.42Å; N253-R260 PolarHBondContact ND2-N 3.01Å; N253-R260 PolarHBondContact ND2-O 3.33Å; N253-R260 PolarHBondContact OD1-N 3.48Å; N253-R260 VanDerWaalsContact OD1-N 3.08Å; R260-G264 PolarHBondContact NH1-O 2.86Å; R260-Q265 CarbonylContact C-O 3.51Å; R260-Q265 VanDerWaalsContact CA-O 3.28Å; R260-Q265 WeakPolarHBondContact CA-O 3.44Å; R260-L266 HydrophobicContact CG-CD2 4.06Å; R260-D352 IonicContact CZ-OD2 3.53Å; R260-D352 IonicContact NH1-OD1 2.64Å; R260-D352 IonicContact NH1-OD2 2.66Å; R260-D352 PolarHBondContact NH1-OD2 3.26Å; R260-D352 VanDerWaalsContact NH1-OD2 3.08Å; R260-D352 IonicContact NH2-OD2 3.33Å; R260-D352 PolarHBondContact NH2-OD2 2.73Å
261	D	97.6	Very high	96.7	Very high	50 Å²	50	54.6 Å²	54.6	27%	0.267	30%	0.302	S	S	.	.			trans	-87.3	175.7	163.5	73.5	8.3	0	0	0	111.6	K263 G264 Q265 T267	D261-K263 PolarHBondContact O-N 3.03Å; D261-K263 VanDerWaalsContact O-N 3.08Å; D261-K263 VanDerWaalsContact OD1-CA 3.31Å; D261-K263 WeakPolarHBondContact OD1-CA 3.32Å; D261-K263 WeakPolarHBondContact OD1-CB 3.09Å; D261-K263 PolarHBondContact OD1-N 3.23Å; D261-G264 PolarHBondContact O-N 3.08Å; D261-G264 PolarHBondContact OD1-N 3.39Å; D261-G264 VanDerWaalsContact OD1-N 3.1Å; D261-Q265 PolarHBondContact N-O 3.39Å; D261-Q265 PolarHBondContact OD1-N 3.14Å; D261-T267 HydrophobicContact CB-CG2 4.39Å
262	S	96.3	Very high	96.6	Very high	51 Å²	51	56.2 Å²	56.2	36%	0.357	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-1.3	178.7	47.8	0	0	0	0	115	D246	D246-S262 WeakPolarHBondContact OD1-CB 3.45Å; D246-S262 PolarHBondContact OD1-OG 3.48Å
263	K	94.2	Very high	96.5	Very high	170 Å²	170	56.7 Å²	56.7	74%	0.739	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	0.4	170.9	-59.3	176.3	-176.7	171.5	0	112.2	D261 Q265	D261-K263 PolarHBondContact O-N 3.03Å; D261-K263 VanDerWaalsContact O-N 3.08Å; D261-K263 VanDerWaalsContact OD1-CA 3.31Å; D261-K263 WeakPolarHBondContact OD1-CA 3.32Å; D261-K263 WeakPolarHBondContact OD1-CB 3.09Å; D261-K263 PolarHBondContact OD1-N 3.23Å; K263-Q265 VanDerWaalsContact C-N 3.3Å; K263-Q265 HydrophobicContact CB-CG 4.31Å
264	G	95.7	Very high	96.4	Very high	16 Å²	16	63.3 Å²	63.3	17%	0.165	34%	0.344	C	S	.	.	S	Bend	trans	80.2	8.7	-176.5	0	0	0	0	0	114.1	R260 D261	R260-G264 PolarHBondContact NH1-O 2.86Å; D261-G264 PolarHBondContact O-N 3.08Å; D261-G264 PolarHBondContact OD1-N 3.39Å; D261-G264 VanDerWaalsContact OD1-N 3.1Å
265	Q	95.9	Very high	96.3	Very high	121 Å²	121	59.8 Å²	59.8	57%	0.565	34%	0.336	S	S	*	.			trans	-87.1	144.3	178.6	-58.2	-174.2	-21.6	0	0	110.4	R260 D261 K263	R260-Q265 CarbonylContact C-O 3.51Å; R260-Q265 VanDerWaalsContact CA-O 3.28Å; R260-Q265 WeakPolarHBondContact CA-O 3.44Å; D261-Q265 PolarHBondContact N-O 3.39Å; D261-Q265 PolarHBondContact OD1-N 3.14Å; K263-Q265 VanDerWaalsContact C-N 3.3Å; K263-Q265 HydrophobicContact CB-CG 4.31Å
266	L	97.7	Very high	96.4	Very high	26 Å²	26	55.4 Å²	55.4	14%	0.136	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-67.6	133.6	173.6	-71	-178.5	0	0	0	111.3	S259 R260 A270 D352 V355 I356	S259-L266 CarbonylContact O-C 3.43Å; S259-L266 VanDerWaalsContact O-CA 3.29Å; S259-L266 WeakPolarHBondContact O-CA 3.29Å; R260-L266 HydrophobicContact CG-CD2 4.06Å; L266-A270 HydrophobicContact CB-CB 3.74Å; L266-A270 HydrophobicContact CD1-CB 4Å; L266-A270 HydrophobicContact CD2-CB 3.92Å; L266-A270 HydrophobicContact CG-CB 4.11Å; L266-D352 HydrophobicContact CD1-CB 3.66Å; L266-D352 HydrophobicContact CG-CB 4.45Å; L266-V355 HydrophobicContact CB-CB 4.28Å; L266-V355 HydrophobicContact CB-CG1 3.71Å; L266-I356 HydrophobicContact CD1-CD1 3.8Å; L266-I356 HydrophobicContact CD1-CG1 3.68Å
267	T	97.5	Very high	96.4	Very high	41 Å²	41	57.1 Å²	57.1	25%	0.252	33%	0.332	S	S	.	.			trans	-78.6	177.4	176.1	72.7	0	0	0	0	111.2	S259 D261 E269 A270 N359	S259-T267 PolarHBondContact O-N 3.09Å; S259-T267 PolarHBondContact O-OG1 2.82Å; D261-T267 HydrophobicContact CB-CG2 4.39Å; T267-E269 PolarHBondContact O-N 3.25Å; T267-E269 PolarHBondContact OG1-N 3.13Å; T267-A270 WeakPolarHBondContact O-CB 3.19Å; T267-A270 PolarHBondContact O-N 3.33Å; T267-N359 PolarHBondContact O-ND2 3.34Å
268	S	96.2	Very high	96.5	Very high	90 Å²	90	58.1 Å²	58.1	63%	0.629	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.7	175.4	49.3	0	0	0	0	114.4	I272 N359	S268-I272 WeakPolarHBondContact O-CG1 3.33Å; S268-N359 PolarHBondContact O-ND2 3.49Å
269	E	95.7	Very high	96.6	Very high	135 Å²	135	57.9 Å²	57.9	63%	0.631	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-20.2	178.1	-63.8	170.5	-179	0	0	111.7	T267 G271 I272	T267-E269 PolarHBondContact O-N 3.25Å; T267-E269 PolarHBondContact OG1-N 3.13Å; E269-G271 PolarHBondContact O-N 3.15Å; E269-I272 WeakPolarHBondContact O-CB 3.4Å; E269-I272 WeakPolarHBondContact O-CG1 3.33Å; E269-I272 PolarHBondContact O-N 3.37Å; E269-I272 VanDerWaalsContact O-N 3.12Å
270	A	97.1	Very high	96.6	Very high	4 Å²	4	57 Å²	57	3%	0.033	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	126.7	-179	0	0	0	0	0	111.4	L266 T267 I272 I356 N359	L266-A270 HydrophobicContact CB-CB 3.74Å; L266-A270 HydrophobicContact CD1-CB 4Å; L266-A270 HydrophobicContact CD2-CB 3.92Å; L266-A270 HydrophobicContact CG-CB 4.11Å; T267-A270 WeakPolarHBondContact O-CB 3.19Å; T267-A270 PolarHBondContact O-N 3.33Å; A270-I272 VanDerWaalsContact C-N 3.29Å; A270-I272 PolarHBondContact O-N 3.41Å; A270-I356 HydrophobicContact CB-CG1 4.46Å; A270-N359 VanDerWaalsContact O-CB 3.31Å; A270-N359 WeakPolarHBondContact O-CB 2.97Å; A270-N359 PolarHBondContact O-ND2 3.07Å
271	G	96.6	Very high	96.5	Very high	5 Å²	5	64.7 Å²	64.7	5%	0.052	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-7.4	179.4	0	0	0	0	0	115.2	E269 V273 I360	E269-G271 PolarHBondContact O-N 3.15Å; G271-V273 PolarHBondContact O-N 3.3Å; G271-I360 WeakPolarHBondContact O-CD1 3.02Å; G271-I360 VanDerWaalsContact O-CG1 3.32Å; G271-I360 WeakPolarHBondContact O-CG1 3.3Å
272	I	97.3	Very high	96.4	Very high	70 Å²	70	65.8 Å²	65.8	36%	0.359	36%	0.355	S	S	.	.			trans	-74	125.9	179.1	-56.3	-56.8	0	0	0	109.5	S268 E269 A270 N359 T363	S268-I272 WeakPolarHBondContact O-CG1 3.33Å; E269-I272 WeakPolarHBondContact O-CB 3.4Å; E269-I272 WeakPolarHBondContact O-CG1 3.33Å; E269-I272 PolarHBondContact O-N 3.37Å; E269-I272 VanDerWaalsContact O-N 3.12Å; A270-I272 VanDerWaalsContact C-N 3.29Å; A270-I272 PolarHBondContact O-N 3.41Å; I272-N359 HydrophobicContact CD1-CB 4.13Å; I272-T363 HydrophobicContact CD1-CG2 3.65Å
273	V	96.7	Very high	96.4	Very high	11 Å²	11	63.4 Å²	63.4	7%	0.067	34%	0.338	C	S	.	.			trans	-110.9	98.7	175.6	-176	0	0	0	0	108	G271 S275 L276 L305 A309 Y312 Y316	G271-V273 PolarHBondContact O-N 3.3Å; V273-S275 VanDerWaalsContact C-N 3.27Å; V273-S275 PolarHBondContact O-N 3.16Å; V273-L276 HydrophobicContact CB-CB 4.5Å; V273-L276 HydrophobicContact CB-CD1 4.01Å; V273-L276 HydrophobicContact CB-CG 4.16Å; V273-L276 HydrophobicContact CG1-CD1 4.03Å; V273-L276 HydrophobicContact CG1-CG 3.86Å; V273-L276 PolarHBondContact O-N 3.11Å; V273-L305 HydrophobicContact CG1-CD1 3.93Å; V273-L305 HydrophobicContact CG1-CD2 4.4Å; V273-A309 HydrophobicContact CG2-CB 4.43Å; V273-Y312 HydrophobicContact CG2-CD2 4.42Å; V273-Y316 HydrophobicContact CB-CE2 4.12Å; V273-Y316 HydrophobicContact CG2-CE2 4.07Å; V273-Y316 PolarHBondContact N-OH 3.4Å
274	E	95.1	Very high	96.4	Very high	170 Å²	170	57.9 Å²	57.9	79%	0.794	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-56	-39.5	-171.8	-172	178.5	-176.6	0	0	112.9	L276 A277	E274-L276 PolarHBondContact O-N 2.82Å; E274-L276 VanDerWaalsContact O-N 3.1Å; E274-A277 VanDerWaalsContact O-CB 3.31Å; E274-A277 WeakPolarHBondContact O-CB 3.45Å; E274-A277 PolarHBondContact O-N 3.37Å
275	S	96	Very high	96.3	Very high	70 Å²	70	60.5 Å²	60.5	49%	0.49	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-62	-19.8	178.9	64.4	0	0	0	0	114	V273	V273-S275 VanDerWaalsContact C-N 3.27Å; V273-S275 PolarHBondContact O-N 3.16Å
276	L	97.5	Very high	96.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-89.9	-13.3	177.2	-61.5	-178.8	0	0	0	113.2	V273 E274 L279 V280 M298 D301 V302 L305 Y316	V273-L276 HydrophobicContact CB-CB 4.5Å; V273-L276 HydrophobicContact CB-CD1 4.01Å; V273-L276 HydrophobicContact CB-CG 4.16Å; V273-L276 HydrophobicContact CG1-CD1 4.03Å; V273-L276 HydrophobicContact CG1-CG 3.86Å; V273-L276 PolarHBondContact O-N 3.11Å; E274-L276 PolarHBondContact O-N 2.82Å; E274-L276 VanDerWaalsContact O-N 3.1Å; L276-L279 HydrophobicContact CD2-CD1 4.36Å; L276-L279 PolarHBondContact O-N 3.19Å; L276-L279 VanDerWaalsContact O-N 3.11Å; L276-V280 WeakPolarHBondContact O-CG2 3.43Å; L276-V280 PolarHBondContact O-N 3.4Å; L276-M298 HydrophobicContact CD2-CG 4.35Å; L276-D301 HydrophobicContact CD2-CB 4.03Å; L276-V302 HydrophobicContact CD1-CG2 3.79Å; L276-V302 HydrophobicContact CD2-CG2 4.05Å; L276-L305 HydrophobicContact CD1-CD1 4.32Å; L276-Y316 HydrophobicContact CB-CD1 4.44Å; L276-Y316 HydrophobicContact CD1-CD1 4.4Å; L276-Y316 HydrophobicContact CD1-CD2 3.82Å; L276-Y316 HydrophobicContact CD1-CE2 4.34Å; L276-Y316 HydrophobicContact CD1-CG 3.85Å
277	A	96.5	Very high	95.7	Very high	54 Å²	54	57 Å²	57	45%	0.446	34%	0.34	S	S	.	.	H	α-helix	trans	-57	-42.1	-177.4	0	0	0	0	0	113.7	E274 L279 V280 K281	E274-A277 VanDerWaalsContact O-CB 3.31Å; E274-A277 WeakPolarHBondContact O-CB 3.45Å; E274-A277 PolarHBondContact O-N 3.37Å; A277-L279 VanDerWaalsContact C-N 3.32Å; A277-L279 PolarHBondContact O-N 3Å; A277-V280 PolarHBondContact O-N 3Å; A277-K281 PolarHBondContact O-N 2.99Å
278	P	96.6	Very high	95.2	Very high	87 Å²	87	60.8 Å²	60.8	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-61.7	-38.1	175.9	-23.4	35.1	0	0	0	113.2	K281 E282	P278-K281 PolarHBondContact O-N 3.3Å; P278-E282 PolarHBondContact O-N 3.46Å
279	L	96.9	Very high	94.6	Very high	16 Å²	16	62.1 Å²	62.1	8%	0.084	36%	0.358	C	S	.	.	H	α-helix	trans	-73	-34.4	179.5	-65.8	176.5	0	0	0	112.4	L276 A277 K281 E282 F283 K297 M298 D301	L276-L279 HydrophobicContact CD2-CD1 4.36Å; L276-L279 PolarHBondContact O-N 3.19Å; L276-L279 VanDerWaalsContact O-N 3.11Å; A277-L279 VanDerWaalsContact C-N 3.32Å; A277-L279 PolarHBondContact O-N 3Å; L279-K281 VanDerWaalsContact C-N 3.34Å; L279-E282 PolarHBondContact O-N 2.8Å; L279-F283 VanDerWaalsContact O-CB 3.27Å; L279-F283 WeakPolarHBondContact O-CB 3.41Å; L279-F283 PolarHBondContact O-N 3.07Å; L279-K297 HydrophobicContact CD1-CB 4.34Å; L279-K297 HydrophobicContact CD2-CB 3.75Å; L279-K297 HydrophobicContact CD2-CD 4.08Å; L279-M298 HydrophobicContact CB-CE 4.3Å; L279-M298 HydrophobicContact CD1-CB 4.24Å; L279-D301 HydrophobicContact CD1-CB 4.17Å; L279-D301 WeakPolarHBondContact CD1-OD2 3.38Å
280	V	97	Very high	94.4	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.024	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-44.4	170.6	174.1	0	0	0	0	110.3	L276 A277 F283 L284 M298 Y316 T363 F364	L276-V280 WeakPolarHBondContact O-CG2 3.43Å; L276-V280 PolarHBondContact O-N 3.4Å; A277-V280 PolarHBondContact O-N 3Å; V280-F283 PolarHBondContact O-N 2.86Å; V280-L284 HydrophobicContact CG1-CD1 4.11Å; V280-L284 HydrophobicContact CG1-CG 4.41Å; V280-L284 WeakPolarHBondContact O-CG 3.38Å; V280-L284 PolarHBondContact O-N 2.96Å; V280-M298 HydrophobicContact CG2-CE 3.79Å; V280-Y316 HydrophobicContact CG2-CD1 3.62Å; V280-Y316 HydrophobicContact CG2-CE1 3.83Å; V280-T363 WeakPolarHBondContact CG1-O 3.29Å; V280-F364 HydrophobicContact CG1-CD1 3.86Å; V280-F364 HydrophobicContact CG1-CE1 3.97Å; V280-F364 HydrophobicContact CG1-CG 4.16Å; V280-F364 HydrophobicContact CG1-CZ 4.36Å; V280-F364 HydrophobicContact CG2-CE1 4.12Å; V280-F364 HydrophobicContact CG2-CE2 4.29Å; V280-F364 HydrophobicContact CG2-CZ 3.86Å
281	K	96.1	Very high	94.3	Very high	167 Å²	167	63 Å²	63	73%	0.726	36%	0.358	S	S	*	.	H	α-helix	trans	-62.6	-43.6	175.9	-173	177.3	-179.2	177.1	0	112.2	A277 P278 L279 L284 G285	A277-K281 PolarHBondContact O-N 2.99Å; P278-K281 PolarHBondContact O-N 3.3Å; L279-K281 VanDerWaalsContact C-N 3.34Å; K281-L284 PolarHBondContact O-N 2.93Å; K281-G285 PolarHBondContact O-N 3.42Å
282	E	95.6	Very high	94.2	Very high	74 Å²	74	69.3 Å²	69.3	35%	0.346	38%	0.384	S	S	.	.	H	α-helix	trans	-58.8	-47.2	173.9	-172.6	-177.5	148.9	0	0	110.9	P278 L279 G285 A286 A294 K297	P278-E282 PolarHBondContact O-N 3.46Å; L279-E282 PolarHBondContact O-N 2.8Å; E282-G285 PolarHBondContact O-N 3.14Å; E282-A286 VanDerWaalsContact O-CB 3.27Å; E282-A286 WeakPolarHBondContact O-CB 3.36Å; E282-A286 PolarHBondContact O-N 2.81Å; E282-A294 HydrophobicContact CB-CB 4.36Å; E282-A294 HydrophobicContact CG-CB 4.05Å; E282-K297 IonicContact OE1-NZ 3.3Å; E282-K297 PolarHBondContact OE1-NZ 2.86Å; E282-K297 IonicContact OE2-NZ 3.08Å; E282-K297 PolarHBondContact OE2-NZ 2.96Å
283	F	96.5	Very high	94.1	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-61.7	-44.7	179	175.5	-90.8	0	0	0	112.9	L279 V280 R291 A294 A320 I323 M324 F364	L279-F283 VanDerWaalsContact O-CB 3.27Å; L279-F283 WeakPolarHBondContact O-CB 3.41Å; L279-F283 PolarHBondContact O-N 3.07Å; V280-F283 PolarHBondContact O-N 2.86Å; F283-R291 HydrophobicContact CD2-CB 3.91Å; F283-R291 HydrophobicContact CD2-CG 3.99Å; F283-R291 HydrophobicContact CE2-CB 3.66Å; F283-R291 HydrophobicContact CE2-CG 3.9Å; F283-R291 HydrophobicContact CG-CG 4.47Å; F283-R291 HydrophobicContact CZ-CB 4.39Å; F283-R291 HydrophobicContact CZ-CG 4.29Å; F283-R291 WeakPolarHBondContact O-CG 3.38Å; F283-R291 PolarHBondContact O-NE 3.22Å; F283-A294 HydrophobicContact CB-CB 3.85Å; F283-A294 HydrophobicContact CD2-CB 4.36Å; F283-A320 HydrophobicContact CD2-CB 4.24Å; F283-A320 HydrophobicContact CE1-CB 4.14Å; F283-A320 HydrophobicContact CE2-CB 3.82Å; F283-A320 HydrophobicContact CZ-CB 3.78Å; F283-A320 WeakPolarHBondContact CZ-O 3.49Å; F283-I323 HydrophobicContact CE1-CB 4.13Å; F283-I323 HydrophobicContact CE1-CD1 4.01Å; F283-I323 HydrophobicContact CE1-CG2 3.96Å; F283-I323 HydrophobicContact CZ-CB 4.22Å; F283-I323 HydrophobicContact CZ-CG2 4.21Å; F283-M324 HydrophobicContact CE2-CG 3.91Å; F283-M324 HydrophobicContact CE2-SD 3.9Å; F283-M324 HydrophobicContact CZ-CG 3.83Å; F283-M324 HydrophobicContact CZ-SD 4.4Å; F283-F364 HydrophobicContact CD1-CD1 4.24Å; F283-F364 HydrophobicContact CD1-CE1 4.06Å; F283-F364 HydrophobicContact CE1-CD1 4.4Å; F283-F364 HydrophobicContact CE1-CE1 4.32Å
284	L	94.4	Very high	94	Very high	54 Å²	54	71.2 Å²	71.2	28%	0.283	39%	0.391	S	S	.	.	H	α-helix	trans	-68.5	-38.1	179.7	-71.3	177.4	0	0	0	112.2	V280 K281 F364	V280-L284 HydrophobicContact CG1-CD1 4.11Å; V280-L284 HydrophobicContact CG1-CG 4.41Å; V280-L284 WeakPolarHBondContact O-CG 3.38Å; V280-L284 PolarHBondContact O-N 2.96Å; K281-L284 PolarHBondContact O-N 2.93Å; L284-F364 HydrophobicContact CD2-CD1 4.31Å; L284-F364 WeakPolarHBondContact CD2-O 3.3Å
285	G	93.4	Very high	94.1	Very high	71 Å²	71	63.9 Å²	63.9	73%	0.732	36%	0.357	S	S	*	.	H	α-helix	trans	-77.9	-18.1	178.4	0	0	0	0	0	114.7	K281 E282	K281-G285 PolarHBondContact O-N 3.42Å; E282-G285 PolarHBondContact O-N 3.14Å
286	A	92.9	Very high	94.2	Very high	21 Å²	21	63.2 Å²	63.2	17%	0.174	35%	0.352	C	S	.	.	S	Bend	trans	-73.3	145	178.7	0	0	0	0	0	112.5	E282 K290 R291	E282-A286 VanDerWaalsContact O-CB 3.27Å; E282-A286 WeakPolarHBondContact O-CB 3.36Å; E282-A286 PolarHBondContact O-N 2.81Å; A286-K290 HydrophobicContact CB-CB 4.07Å; A286-R291 HydrophobicContact CB-CG 4.08Å; A286-R291 PolarHBondContact O-NE 2.98Å
287	A	89.2	Confident	94.2	Very high	54 Å²	54	67.2 Å²	67.2	45%	0.446	37%	0.37	S	S	.	.			trans	-59.6	154.5	165.1	0	0	0	0	0	110.8	D289 K290 R291	A287-D289 WeakPolarHBondContact CB-OD1 3.15Å; A287-D289 PolarHBondContact O-N 2.78Å; A287-D289 VanDerWaalsContact O-N 3.12Å; A287-K290 WeakPolarHBondContact O-CA 3.37Å; A287-K290 PolarHBondContact O-N 2.66Å; A287-R291 PolarHBondContact O-N 2.89Å
288	N	85.1	Confident	94.2	Very high	120 Å²	120	64.6 Å²	64.6	64%	0.642	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.7	-172.3	-75.1	-21.5	0	0	0	113.9	R291	N288-R291 PolarHBondContact OD1-NH1 3.48Å
289	D	85.5	Confident	94.3	Very high	118 Å²	118	63.8 Å²	63.8	63%	0.631	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-32.3	176.8	58.8	-46.7	0	0	0	112.9	A287	A287-D289 WeakPolarHBondContact CB-OD1 3.15Å; A287-D289 PolarHBondContact O-N 2.78Å; A287-D289 VanDerWaalsContact O-N 3.12Å
290	K	90.2	Very high	94.4	Very high	119 Å²	119	68.7 Å²	68.7	52%	0.517	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-15.9	179.6	-64.9	-169.5	178.3	-173.5	0	114.5	A286 A287 K292 E293	A286-K290 HydrophobicContact CB-CB 4.07Å; A287-K290 WeakPolarHBondContact O-CA 3.37Å; A287-K290 PolarHBondContact O-N 2.66Å; K290-K292 PolarHBondContact O-N 3.07Å; K290-K292 VanDerWaalsContact O-N 3.07Å; K290-E293 PolarHBondContact O-N 2.92Å
291	R	94.8	Very high	94.4	Very high	37 Å²	37	71 Å²	71	14%	0.14	37%	0.372	C	S	.	.	H	α-helix	trans	-55	-27	175.6	-80.6	-176.5	179.8	156.1	3.8	114	F283 A286 A287 N288 E293 A294 L295 M324	F283-R291 HydrophobicContact CD2-CB 3.91Å; F283-R291 HydrophobicContact CD2-CG 3.99Å; F283-R291 HydrophobicContact CE2-CB 3.66Å; F283-R291 HydrophobicContact CE2-CG 3.9Å; F283-R291 HydrophobicContact CG-CG 4.47Å; F283-R291 HydrophobicContact CZ-CB 4.39Å; F283-R291 HydrophobicContact CZ-CG 4.29Å; F283-R291 WeakPolarHBondContact O-CG 3.38Å; F283-R291 PolarHBondContact O-NE 3.22Å; A286-R291 HydrophobicContact CB-CG 4.08Å; A286-R291 PolarHBondContact O-NE 2.98Å; A287-R291 PolarHBondContact O-N 2.89Å; N288-R291 PolarHBondContact OD1-NH1 3.48Å; R291-E293 VanDerWaalsContact C-N 3.32Å; R291-E293 PolarHBondContact O-N 3.35Å; R291-A294 PolarHBondContact O-N 2.9Å; R291-L295 WeakPolarHBondContact O-CB 3.19Å; R291-L295 PolarHBondContact O-N 2.87Å; R291-M324 HydrophobicContact CB-CE 4.36Å; R291-M324 HydrophobicContact CB-CG 4.38Å; R291-M324 HydrophobicContact CB-SD 4.23Å
292	K	95	Very high	94.5	Very high	138 Å²	138	63.7 Å²	63.7	60%	0.6	34%	0.341	S	S	*	.	H	α-helix	trans	-60.4	-39.8	175.6	-73.5	179.4	-179.9	177.9	0	112.4	K290 L295 S296 M324	K290-K292 PolarHBondContact O-N 3.07Å; K290-K292 VanDerWaalsContact O-N 3.07Å; K292-L295 PolarHBondContact O-N 3.19Å; K292-S296 PolarHBondContact O-N 2.96Å; K292-S296 PolarHBondContact O-OG 2.63Å; K292-M324 HydrophobicContact CG-CE 3.55Å
293	E	95.4	Very high	94.6	Very high	121 Å²	121	64.2 Å²	64.2	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-67	-46.7	-179.4	-63.5	174.3	-165.3	0	0	111	K290 R291 L295 S296 K297	K290-E293 PolarHBondContact O-N 2.92Å; R291-E293 VanDerWaalsContact C-N 3.32Å; R291-E293 PolarHBondContact O-N 3.35Å; E293-L295 VanDerWaalsContact C-N 3.3Å; E293-L295 PolarHBondContact O-N 2.89Å; E293-S296 PolarHBondContact O-N 3.06Å; E293-K297 WeakPolarHBondContact O-CG 3.38Å; E293-K297 PolarHBondContact O-N 3.31Å; E293-K297 VanDerWaalsContact O-N 3.07Å
294	A	95.1	Very high	94.7	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.008	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-38.1	175.7	0	0	0	0	0	112	E282 F283 R291 M298	E282-A294 HydrophobicContact CB-CB 4.36Å; E282-A294 HydrophobicContact CG-CB 4.05Å; F283-A294 HydrophobicContact CB-CB 3.85Å; F283-A294 HydrophobicContact CD2-CB 4.36Å; R291-A294 PolarHBondContact O-N 2.9Å; A294-M298 WeakPolarHBondContact O-CB 3.45Å; A294-M298 PolarHBondContact O-N 3.17Å
295	L	96.9	Very high	94.8	Very high	15 Å²	15	70.2 Å²	70.2	8%	0.079	38%	0.383	C	S	.	.	H	α-helix	trans	-64.2	-43.9	174.7	177.6	59.8	0	0	0	112.1	R291 K292 E293 M298 E299 V317 A320 K321 M324	R291-L295 WeakPolarHBondContact O-CB 3.19Å; R291-L295 PolarHBondContact O-N 2.87Å; K292-L295 PolarHBondContact O-N 3.19Å; E293-L295 VanDerWaalsContact C-N 3.3Å; E293-L295 PolarHBondContact O-N 2.89Å; L295-M298 WeakPolarHBondContact O-CB 3.38Å; L295-M298 PolarHBondContact O-N 2.02Å; L295-E299 HydrophobicContact CD1-CG 4.44Å; L295-E299 WeakPolarHBondContact O-CG 3.49Å; L295-E299 PolarHBondContact O-N 3.4Å; L295-V317 HydrophobicContact CD1-CG1 4.08Å; L295-A320 HydrophobicContact CD1-CB 3.8Å; L295-K321 HydrophobicContact CD1-CG 4.32Å; L295-K321 HydrophobicContact CD2-CG 3.7Å; L295-M324 HydrophobicContact CD2-SD 3.83Å
296	S	97.4	Very high	94.7	Very high	56 Å²	56	72.3 Å²	72.3	39%	0.392	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-43.1	177.3	-66.5	0	0	0	0	112.1	K292 E293 M298 E299 E300	K292-S296 PolarHBondContact O-N 2.96Å; K292-S296 PolarHBondContact O-OG 2.63Å; E293-S296 PolarHBondContact O-N 3.06Å; S296-M298 VanDerWaalsContact C-N 3.3Å; S296-M298 PolarHBondContact O-N 2.68Å; S296-E299 PolarHBondContact O-N 3.03Å; S296-E300 WeakPolarHBondContact O-CG 3.43Å; S296-E300 PolarHBondContact O-N 2.78Å
297	K	97.5	Very high	94.5	Very high	84 Å²	84	73.7 Å²	73.7	37%	0.365	40%	0.398	S	S	.	.	H	α-helix	trans	-59.4	-41.5	172.8	-67.3	173.4	-175.1	170.9	0	112	L279 E282 E293 E300 D301	L279-K297 HydrophobicContact CD1-CB 4.34Å; L279-K297 HydrophobicContact CD2-CB 3.75Å; L279-K297 HydrophobicContact CD2-CD 4.08Å; E282-K297 IonicContact OE1-NZ 3.3Å; E282-K297 PolarHBondContact OE1-NZ 2.86Å; E282-K297 IonicContact OE2-NZ 3.08Å; E282-K297 PolarHBondContact OE2-NZ 2.96Å; E293-K297 WeakPolarHBondContact O-CG 3.38Å; E293-K297 PolarHBondContact O-N 3.31Å; E293-K297 VanDerWaalsContact O-N 3.07Å; K297-E300 PolarHBondContact O-N 3.05Å; K297-D301 PolarHBondContact O-N 3.16Å
298	M	97.7	Very high	94.5	Very high	0 Å²	0	75 Å²	75	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-62.6	-41.9	176	-171.4	-175.1	-65.9	0	0	111.7	L276 L279 V280 A294 L295 S296 D301 V302 V317 A320 F364	L276-M298 HydrophobicContact CD2-CG 4.35Å; L279-M298 HydrophobicContact CB-CE 4.3Å; L279-M298 HydrophobicContact CD1-CB 4.24Å; V280-M298 HydrophobicContact CG2-CE 3.79Å; A294-M298 WeakPolarHBondContact O-CB 3.45Å; A294-M298 PolarHBondContact O-N 3.17Å; L295-M298 WeakPolarHBondContact O-CB 3.38Å; L295-M298 PolarHBondContact O-N 2.02Å; S296-M298 VanDerWaalsContact C-N 3.3Å; S296-M298 PolarHBondContact O-N 2.68Å; M298-D301 PolarHBondContact O-N 3.3Å; M298-V302 HydrophobicContact CG-CG2 4.34Å; M298-V302 VanDerWaalsContact O-CB 3.3Å; M298-V302 WeakPolarHBondContact O-CB 3.46Å; M298-V302 WeakPolarHBondContact O-CG2 3.35Å; M298-V302 PolarHBondContact O-N 3.41Å; M298-V317 HydrophobicContact CG-CG2 4.03Å; M298-V317 HydrophobicContact SD-CG2 4.21Å; M298-A320 HydrophobicContact SD-CB 4.39Å; M298-F364 HydrophobicContact CE-CE1 4.45Å; M298-F364 HydrophobicContact CE-CZ 4.27Å
299	E	98.3	Very high	94.9	Very high	70 Å²	70	70.7 Å²	70.7	33%	0.327	38%	0.384	S	S	.	.	H	α-helix	trans	-62.5	-42.2	175.4	-72.3	178.1	147.2	0	0	112.3	L295 S296 V302 A303 V317 K321	L295-E299 HydrophobicContact CD1-CG 4.44Å; L295-E299 WeakPolarHBondContact O-CG 3.49Å; L295-E299 PolarHBondContact O-N 3.4Å; S296-E299 PolarHBondContact O-N 3.03Å; E299-V302 PolarHBondContact O-N 2.86Å; E299-A303 WeakPolarHBondContact O-CB 3.4Å; E299-A303 PolarHBondContact O-N 2.77Å; E299-V317 HydrophobicContact CG-CB 4.45Å; E299-V317 HydrophobicContact CG-CG1 3.68Å; E299-V317 HydrophobicContact CG-CG2 3.85Å; E299-K321 WeakPolarHBondContact OE1-CE 3.25Å; E299-K321 IonicContact OE1-NZ 3.53Å; E299-K321 PolarHBondContact OE1-NZ 2.77Å
300	E	98	Very high	95.4	Very high	118 Å²	118	66.1 Å²	66.1	55%	0.551	36%	0.362	S	S	*	.	H	α-helix	trans	-62.4	-44.5	176.1	-72.6	176.1	-168.4	0	0	112.4	S296 K297 A303 K304	S296-E300 WeakPolarHBondContact O-CG 3.43Å; S296-E300 PolarHBondContact O-N 2.78Å; K297-E300 PolarHBondContact O-N 3.05Å; E300-A303 PolarHBondContact O-N 2.9Å; E300-K304 WeakPolarHBondContact O-CG 3.46Å; E300-K304 PolarHBondContact O-N 3.43Å
301	D	97.9	Very high	95.6	Very high	52 Å²	52	67.8 Å²	67.8	28%	0.278	37%	0.37	S	S	.	.	H	α-helix	trans	-70.3	-38.6	178.6	-80	-1.9	0	0	0	111.9	L276 L279 K297 M298 A303 K304 L305	L276-D301 HydrophobicContact CD2-CB 4.03Å; L279-D301 HydrophobicContact CD1-CB 4.17Å; L279-D301 WeakPolarHBondContact CD1-OD2 3.38Å; K297-D301 PolarHBondContact O-N 3.16Å; M298-D301 PolarHBondContact O-N 3.3Å; D301-A303 VanDerWaalsContact C-N 3.26Å; D301-A303 PolarHBondContact O-N 3.18Å; D301-K304 WeakPolarHBondContact O-CB 3.38Å; D301-K304 PolarHBondContact O-N 3.16Å; D301-K304 VanDerWaalsContact O-N 3.07Å; D301-K304 IonicContact OD1-NZ 2.71Å; D301-K304 PolarHBondContact OD1-NZ 2.84Å; D301-L305 PolarHBondContact O-N 2.86Å
302	V	98	Very high	95.7	Very high	14 Å²	14	69 Å²	69	9%	0.085	38%	0.375	C	S	.	.	H	α-helix	trans	-61.9	-35.1	174.1	170.3	0	0	0	0	111.7	L276 M298 E299 K304 L305 K314 V317	L276-V302 HydrophobicContact CD1-CG2 3.79Å; L276-V302 HydrophobicContact CD2-CG2 4.05Å; M298-V302 HydrophobicContact CG-CG2 4.34Å; M298-V302 VanDerWaalsContact O-CB 3.3Å; M298-V302 WeakPolarHBondContact O-CB 3.46Å; M298-V302 WeakPolarHBondContact O-CG2 3.35Å; M298-V302 PolarHBondContact O-N 3.41Å; E299-V302 PolarHBondContact O-N 2.86Å; V302-K304 PolarHBondContact O-N 2.95Å; V302-L305 HydrophobicContact CG2-CD1 4.41Å; V302-L305 WeakPolarHBondContact O-CB 3.46Å; V302-L305 PolarHBondContact O-N 2.57Å; V302-K314 HydrophobicContact CG1-CG 4.38Å; V302-V317 HydrophobicContact CB-CG2 4.4Å; V302-V317 HydrophobicContact CG2-CG2 3.96Å
303	A	97.7	Very high	95.8	Very high	85 Å²	85	62.5 Å²	62.5	70%	0.702	35%	0.346	S	S	*	.	H	α-helix	trans	-66.3	-21.9	176.3	0	0	0	0	0	113.4	E299 E300 D301	E299-A303 WeakPolarHBondContact O-CB 3.4Å; E299-A303 PolarHBondContact O-N 2.77Å; E300-A303 PolarHBondContact O-N 2.9Å; D301-A303 VanDerWaalsContact C-N 3.26Å; D301-A303 PolarHBondContact O-N 3.18Å
304	K	97.6	Very high	95.9	Very high	141 Å²	141	63 Å²	63	61%	0.613	35%	0.346	S	S	*	.	H	α-helix	trans	-86.9	-16.3	175.9	-59.4	165.5	-161.5	158.1	0	112.8	E300 D301 V302	E300-K304 WeakPolarHBondContact O-CG 3.46Å; E300-K304 PolarHBondContact O-N 3.43Å; D301-K304 WeakPolarHBondContact O-CB 3.38Å; D301-K304 PolarHBondContact O-N 3.16Å; D301-K304 VanDerWaalsContact O-N 3.07Å; D301-K304 IonicContact OD1-NZ 2.71Å; D301-K304 PolarHBondContact OD1-NZ 2.84Å; V302-K304 PolarHBondContact O-N 2.95Å
305	L	96.2	Very high	96.1	Very high	39 Å²	39	64.8 Å²	64.8	20%	0.204	36%	0.356	C	S	.	.			trans	-71.1	150.4	179.1	-62.1	176.9	0	0	0	111.2	V273 L276 D301 V302 A309 A310	V273-L305 HydrophobicContact CG1-CD1 3.93Å; V273-L305 HydrophobicContact CG1-CD2 4.4Å; L276-L305 HydrophobicContact CD1-CD1 4.32Å; D301-L305 PolarHBondContact O-N 2.86Å; V302-L305 HydrophobicContact CG2-CD1 4.41Å; V302-L305 WeakPolarHBondContact O-CB 3.46Å; V302-L305 PolarHBondContact O-N 2.57Å; L305-A309 HydrophobicContact CB-CB 4.36Å; L305-A309 HydrophobicContact CD1-CB 4.34Å; L305-A309 WeakPolarHBondContact CD1-O 3.47Å; L305-A309 HydrophobicContact CD2-CB 4.43Å; L305-A310 HydrophobicContact CB-CB 4.11Å; L305-A310 WeakPolarHBondContact O-CB 3.31Å
306	T	92.1	Very high	96.1	Very high	115 Å²	115	64.2 Å²	64.2	71%	0.706	35%	0.352	S	S	*	.			trans	-124.4	170.5	175.7	60.5	0	0	0	0	110.7	A309 A310	T306-A309 PolarHBondContact O-N 2.89Å; T306-A310 PolarHBondContact O-N 3.23Å
307	G	88.7	Confident	96.2	Very high	50 Å²	50	62 Å²	62	52%	0.515	34%	0.337	S	S	.	.	H	α-helix	trans	59.1	-147.3	175.7	0	0	0	0	0	114.3	A309 A310	G307-A309 VanDerWaalsContact C-N 3.28Å; G307-A309 PolarHBondContact O-N 2.93Å; G307-A310 PolarHBondContact O-N 3.09Å
308	P	89.6	Confident	96.2	Very high	81 Å²	81	62.4 Å²	62.4	53%	0.526	34%	0.343	S	S	.	.	H	α-helix	trans	-58.4	-36	176.8	-26.2	35.8	0	0	0	113.8	A310 K311 Y312	P308-A310 PolarHBondContact O-N 3.45Å; P308-K311 WeakPolarHBondContact O-CA 3.47Å; P308-K311 WeakPolarHBondContact O-CB 2.98Å; P308-K311 PolarHBondContact O-N 3.35Å; P308-Y312 HydrophobicContact CB-CD2 4.42Å; P308-Y312 HydrophobicContact CB-CE2 3.73Å; P308-Y312 WeakPolarHBondContact O-CD2 3.39Å; P308-Y312 PolarHBondContact O-N 3.11Å
309	A	93.1	Very high	96.2	Very high	31 Å²	31	62.5 Å²	62.5	26%	0.256	34%	0.343	S	S	.	.	H	α-helix	trans	-58	-36.6	179.3	0	0	0	0	0	112.3	V273 L305 T306 G307 K311 Y312 G313	V273-A309 HydrophobicContact CG2-CB 4.43Å; L305-A309 HydrophobicContact CB-CB 4.36Å; L305-A309 HydrophobicContact CD1-CB 4.34Å; L305-A309 WeakPolarHBondContact CD1-O 3.47Å; L305-A309 HydrophobicContact CD2-CB 4.43Å; T306-A309 PolarHBondContact O-N 2.89Å; G307-A309 VanDerWaalsContact C-N 3.28Å; G307-A309 PolarHBondContact O-N 2.93Å; A309-K311 PolarHBondContact O-N 2.92Å; A309-Y312 PolarHBondContact O-N 3.03Å; A309-G313 PolarHBondContact O-N 2.96Å
310	A	95.2	Very high	96.1	Very high	22 Å²	22	59.1 Å²	59.1	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-37.8	174.3	0	0	0	0	0	112.9	L305 T306 G307 P308 K314	L305-A310 HydrophobicContact CB-CB 4.11Å; L305-A310 WeakPolarHBondContact O-CB 3.31Å; T306-A310 PolarHBondContact O-N 3.23Å; G307-A310 PolarHBondContact O-N 3.09Å; P308-A310 PolarHBondContact O-N 3.45Å; A310-K314 WeakPolarHBondContact O-CG 3.18Å; A310-K314 PolarHBondContact O-N 3.18Å
311	K	94.9	Very high	96	Very high	153 Å²	153	57.6 Å²	57.6	67%	0.665	32%	0.319	S	S	*	.	H	α-helix	trans	-68.1	-43.6	175.7	-66.4	179.2	-179.1	175.3	0	110.7	P308 A309 K314	P308-K311 WeakPolarHBondContact O-CA 3.47Å; P308-K311 WeakPolarHBondContact O-CB 2.98Å; P308-K311 PolarHBondContact O-N 3.35Å; A309-K311 PolarHBondContact O-N 2.92Å; K311-K314 PolarHBondContact O-N 3.04Å
312	Y	97	Very high	96	Very high	64 Å²	64	58.4 Å²	58.4	25%	0.251	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-43.2	177.8	-55.4	-28.5	0	0	0	111.8	V273 P308 A309 K314 I315 Y316 I356	V273-Y312 HydrophobicContact CG2-CD2 4.42Å; P308-Y312 HydrophobicContact CB-CD2 4.42Å; P308-Y312 HydrophobicContact CB-CE2 3.73Å; P308-Y312 WeakPolarHBondContact O-CD2 3.39Å; P308-Y312 PolarHBondContact O-N 3.11Å; A309-Y312 PolarHBondContact O-N 3.03Å; Y312-K314 PolarHBondContact O-N 3.5Å; Y312-I315 WeakPolarHBondContact O-CA 3.39Å; Y312-I315 VanDerWaalsContact O-CB 3.24Å; Y312-I315 WeakPolarHBondContact O-CB 3.22Å; Y312-I315 PolarHBondContact O-N 3.1Å; Y312-Y316 WeakPolarHBondContact O-CD2 3.14Å; Y312-Y316 PolarHBondContact O-N 3.09Å; Y312-I356 HydrophobicContact CD1-CG2 3.7Å; Y312-I356 HydrophobicContact CE1-CD1 3.87Å; Y312-I356 HydrophobicContact CE1-CG1 4.36Å; Y312-I356 HydrophobicContact CE1-CG2 3.78Å
313	G	98	Very high	95.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-55	-36.5	176.3	0	0	0	0	0	113.8	A309 I315 Y316 V317	A309-G313 PolarHBondContact O-N 2.96Å; G313-I315 VanDerWaalsContact C-N 3.26Å; G313-I315 PolarHBondContact O-N 3.42Å; G313-Y316 WeakPolarHBondContact O-CB 3.19Å; G313-Y316 PolarHBondContact O-N 3.31Å; G313-Y316 VanDerWaalsContact O-N 3.17Å; G313-V317 PolarHBondContact O-N 3.27Å; G313-V317 VanDerWaalsContact O-N 3.09Å
314	K	97.9	Very high	95.7	Very high	131 Å²	131	57.1 Å²	57.1	57%	0.57	30%	0.3	S	S	*	.	H	α-helix	trans	-62.4	-32.5	172.7	-68.3	173.5	-174.8	-178.8	0	112.6	V302 A310 K311 Y312 N318	V302-K314 HydrophobicContact CG1-CG 4.38Å; A310-K314 WeakPolarHBondContact O-CG 3.18Å; A310-K314 PolarHBondContact O-N 3.18Å; K311-K314 PolarHBondContact O-N 3.04Å; Y312-K314 PolarHBondContact O-N 3.5Å; K314-N318 VanDerWaalsContact O-CB 3.32Å; K314-N318 WeakPolarHBondContact O-CB 3.09Å; K314-N318 PolarHBondContact O-N 2.83Å; K314-N318 PolarHBondContact O-ND2 2.62Å; K314-N318 VanDerWaalsContact O-ND2 3.16Å
315	I	97.8	Very high	95.6	Very high	40 Å²	40	56.3 Å²	56.3	21%	0.205	30%	0.298	C	S	.	.	H	α-helix	trans	-70	-38.5	175.8	-54.9	173.5	0	0	0	110.3	Y312 G313 N318 S319 I356 K357 I360	Y312-I315 WeakPolarHBondContact O-CA 3.39Å; Y312-I315 VanDerWaalsContact O-CB 3.24Å; Y312-I315 WeakPolarHBondContact O-CB 3.22Å; Y312-I315 PolarHBondContact O-N 3.1Å; G313-I315 VanDerWaalsContact C-N 3.26Å; G313-I315 PolarHBondContact O-N 3.42Å; I315-N318 PolarHBondContact O-N 2.85Å; I315-S319 VanDerWaalsContact O-CB 3.32Å; I315-S319 WeakPolarHBondContact O-CB 3.46Å; I315-S319 PolarHBondContact O-N 3.43Å; I315-S319 PolarHBondContact O-OG 2.98Å; I315-I356 HydrophobicContact CD1-CG2 3.97Å; I315-K357 HydrophobicContact CG2-CG 4.14Å; I315-I360 HydrophobicContact CB-CD1 3.77Å; I315-I360 HydrophobicContact CB-CG2 4.44Å; I315-I360 HydrophobicContact CD1-CD1 3.92Å; I315-I360 HydrophobicContact CG1-CD1 4.39Å; I315-I360 HydrophobicContact CG2-CB 4.26Å; I315-I360 HydrophobicContact CG2-CD1 3.92Å; I315-I360 HydrophobicContact CG2-CG2 3.98Å
316	Y	98.3	Very high	95.5	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-58.1	-53.4	172.5	-79.8	-94.9	0	0	0	111.5	V273 L276 V280 Y312 G313 N318 S319 A320 I360 T363 F364	V273-Y316 HydrophobicContact CB-CE2 4.12Å; V273-Y316 HydrophobicContact CG2-CE2 4.07Å; V273-Y316 PolarHBondContact N-OH 3.4Å; L276-Y316 HydrophobicContact CB-CD1 4.44Å; L276-Y316 HydrophobicContact CD1-CD1 4.4Å; L276-Y316 HydrophobicContact CD1-CD2 3.82Å; L276-Y316 HydrophobicContact CD1-CE2 4.34Å; L276-Y316 HydrophobicContact CD1-CG 3.85Å; V280-Y316 HydrophobicContact CG2-CD1 3.62Å; V280-Y316 HydrophobicContact CG2-CE1 3.83Å; Y312-Y316 WeakPolarHBondContact O-CD2 3.14Å; Y312-Y316 PolarHBondContact O-N 3.09Å; G313-Y316 WeakPolarHBondContact O-CB 3.19Å; G313-Y316 PolarHBondContact O-N 3.31Å; G313-Y316 VanDerWaalsContact O-N 3.17Å; Y316-N318 VanDerWaalsContact C-N 3.32Å; Y316-N318 PolarHBondContact O-N 3.32Å; Y316-S319 WeakPolarHBondContact O-CB 3.29Å; Y316-S319 PolarHBondContact O-N 3.08Å; Y316-S319 VanDerWaalsContact O-N 3.09Å; Y316-A320 PolarHBondContact O-N 3.3Å; Y316-I360 HydrophobicContact CD1-CG2 3.96Å; Y316-I360 HydrophobicContact CD2-CD1 4.16Å; Y316-I360 HydrophobicContact CD2-CG1 4.25Å; Y316-I360 HydrophobicContact CD2-CG2 3.63Å; Y316-I360 HydrophobicContact CE1-CG2 4Å; Y316-I360 HydrophobicContact CE2-CB 4.24Å; Y316-I360 HydrophobicContact CE2-CD1 3.92Å; Y316-I360 HydrophobicContact CE2-CG1 3.67Å; Y316-I360 HydrophobicContact CE2-CG2 3.68Å; Y316-I360 HydrophobicContact CG-CG2 3.78Å; Y316-T363 HydrophobicContact CE1-CG2 4.34Å; Y316-T363 WeakPolarHBondContact CE1-OG1 3.44Å; Y316-F364 AromaticContact CD1-CE2 3.67Å; Y316-F364 HydrophobicContact CD1-CE2 3.67Å; Y316-F364 AromaticContact CD1-CZ 3.98Å; Y316-F364 HydrophobicContact CD1-CZ 3.98Å; Y316-F364 HydrophobicContact CE1-CE2 4.33Å; Y316-F364 HydrophobicContact CG-CE2 4.36Å; Y316-F364 WeakPolarHBondContact O-CZ 3.3Å
317	V	98.3	Very high	95.5	Very high	11 Å²	11	56.5 Å²	56.5	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-57.4	-45.6	178.2	170.1	0	0	0	0	111.2	L295 M298 E299 V302 G313 S319 A320 K321	L295-V317 HydrophobicContact CD1-CG1 4.08Å; M298-V317 HydrophobicContact CG-CG2 4.03Å; M298-V317 HydrophobicContact SD-CG2 4.21Å; E299-V317 HydrophobicContact CG-CB 4.45Å; E299-V317 HydrophobicContact CG-CG1 3.68Å; E299-V317 HydrophobicContact CG-CG2 3.85Å; V302-V317 HydrophobicContact CB-CG2 4.4Å; V302-V317 HydrophobicContact CG2-CG2 3.96Å; G313-V317 PolarHBondContact O-N 3.27Å; G313-V317 VanDerWaalsContact O-N 3.09Å; V317-S319 VanDerWaalsContact C-N 3.31Å; V317-S319 PolarHBondContact O-N 2.85Å; V317-A320 PolarHBondContact O-N 2.85Å; V317-K321 HydrophobicContact CG1-CD 4.07Å; V317-K321 WeakPolarHBondContact O-CB 3.38Å; V317-K321 WeakPolarHBondContact O-CG 3.24Å; V317-K321 PolarHBondContact O-N 3.2Å
318	N	97.7	Very high	95.4	Very high	91 Å²	91	57.8 Å²	57.8	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-36.2	178.4	-74.1	-23.4	0	0	0	112.4	K314 I315 Y316 K322	K314-N318 VanDerWaalsContact O-CB 3.32Å; K314-N318 WeakPolarHBondContact O-CB 3.09Å; K314-N318 PolarHBondContact O-N 2.83Å; K314-N318 PolarHBondContact O-ND2 2.62Å; K314-N318 VanDerWaalsContact O-ND2 3.16Å; I315-N318 PolarHBondContact O-N 2.85Å; Y316-N318 VanDerWaalsContact C-N 3.32Å; Y316-N318 PolarHBondContact O-N 3.32Å; N318-K322 WeakPolarHBondContact O-CB 3.44Å; N318-K322 VanDerWaalsContact O-CG 3.25Å; N318-K322 WeakPolarHBondContact O-CG 3.32Å; N318-K322 PolarHBondContact O-N 3.32Å
319	S	97	Very high	95.5	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-46.7	177.4	-59.2	0	0	0	0	110.7	I315 Y316 V317 K321 K322 I323	I315-S319 VanDerWaalsContact O-CB 3.32Å; I315-S319 WeakPolarHBondContact O-CB 3.46Å; I315-S319 PolarHBondContact O-N 3.43Å; I315-S319 PolarHBondContact O-OG 2.98Å; Y316-S319 WeakPolarHBondContact O-CB 3.29Å; Y316-S319 PolarHBondContact O-N 3.08Å; Y316-S319 VanDerWaalsContact O-N 3.09Å; V317-S319 VanDerWaalsContact C-N 3.31Å; V317-S319 PolarHBondContact O-N 2.85Å; S319-K321 PolarHBondContact O-N 3.08Å; S319-K322 PolarHBondContact O-N 2.99Å; S319-K322 VanDerWaalsContact O-N 3.14Å; S319-I323 VanDerWaalsContact O-CG1 3.32Å; S319-I323 WeakPolarHBondContact O-CG1 3.2Å; S319-I323 PolarHBondContact O-N 2.67Å
320	A	97	Very high	95.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.7	-47	174.5	0	0	0	0	0	111.9	F283 L295 M298 Y316 V317 K322 I323 M324 F364	F283-A320 HydrophobicContact CD2-CB 4.24Å; F283-A320 HydrophobicContact CE1-CB 4.14Å; F283-A320 HydrophobicContact CE2-CB 3.82Å; F283-A320 HydrophobicContact CZ-CB 3.78Å; F283-A320 WeakPolarHBondContact CZ-O 3.49Å; L295-A320 HydrophobicContact CD1-CB 3.8Å; M298-A320 HydrophobicContact SD-CB 4.39Å; Y316-A320 PolarHBondContact O-N 3.3Å; V317-A320 PolarHBondContact O-N 2.85Å; A320-K322 VanDerWaalsContact C-N 3.33Å; A320-K322 PolarHBondContact O-N 3.39Å; A320-I323 PolarHBondContact O-N 3.39Å; A320-M324 WeakPolarHBondContact O-CG 3.37Å; A320-M324 PolarHBondContact O-N 2.66Å; A320-F364 HydrophobicContact CB-CE1 3.99Å; A320-F364 HydrophobicContact CB-CZ 4.22Å
321	K	96.9	Very high	95.5	Very high	85 Å²	85	57.8 Å²	57.8	37%	0.37	28%	0.282	S	S	.	.	H	α-helix	trans	-57.2	-43.8	173.8	-74.7	174.3	-179.2	174.8	0	112.3	L295 E299 V317 S319 M324 E325	L295-K321 HydrophobicContact CD1-CG 4.32Å; L295-K321 HydrophobicContact CD2-CG 3.7Å; E299-K321 WeakPolarHBondContact OE1-CE 3.25Å; E299-K321 IonicContact OE1-NZ 3.53Å; E299-K321 PolarHBondContact OE1-NZ 2.77Å; V317-K321 HydrophobicContact CG1-CD 4.07Å; V317-K321 WeakPolarHBondContact O-CB 3.38Å; V317-K321 WeakPolarHBondContact O-CG 3.24Å; V317-K321 PolarHBondContact O-N 3.2Å; S319-K321 PolarHBondContact O-N 3.08Å; K321-M324 PolarHBondContact O-N 2.88Å; K321-E325 PolarHBondContact O-N 3.05Å
322	K	96.8	Very high	95.5	Very high	69 Å²	69	56 Å²	56	30%	0.3	27%	0.274	S	S	.	.	H	α-helix	trans	-69.3	-32.9	179.1	-72.7	-70.4	168	-152.4	0	113.1	N318 S319 A320 M324 E325 K326 Y330	N318-K322 WeakPolarHBondContact O-CB 3.44Å; N318-K322 VanDerWaalsContact O-CG 3.25Å; N318-K322 WeakPolarHBondContact O-CG 3.32Å; N318-K322 PolarHBondContact O-N 3.32Å; S319-K322 PolarHBondContact O-N 2.99Å; S319-K322 VanDerWaalsContact O-N 3.14Å; A320-K322 VanDerWaalsContact C-N 3.33Å; A320-K322 PolarHBondContact O-N 3.39Å; K322-M324 VanDerWaalsContact C-N 3.35Å; K322-E325 IonicContact NZ-OE1 2.65Å; K322-E325 PolarHBondContact NZ-OE1 3.14Å; K322-E325 IonicContact NZ-OE2 2.81Å; K322-E325 PolarHBondContact NZ-OE2 3.28Å; K322-E325 PolarHBondContact O-N 3.47Å; K322-K326 HydrophobicContact CD-CD 4.36Å; K322-K326 WeakPolarHBondContact O-CB 3.44Å; K322-K326 PolarHBondContact O-N 2.89Å; K322-Y330 HydrophobicContact CB-CD1 3.59Å; K322-Y330 HydrophobicContact CB-CD2 4.2Å; K322-Y330 HydrophobicContact CB-CE1 3.3Å; K322-Y330 HydrophobicContact CB-CE2 3.96Å; K322-Y330 HydrophobicContact CB-CG 4.02Å; K322-Y330 HydrophobicContact CG-CE1 4.09Å; K322-Y330 HydrophobicContact CG-CE2 4.31Å
323	I	95.5	Very high	95.5	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-42.5	171.8	-68.2	163.2	0	0	0	110.4	F283 S319 A320 E325 G327 Y330 T331 F364	F283-I323 HydrophobicContact CE1-CB 4.13Å; F283-I323 HydrophobicContact CE1-CD1 4.01Å; F283-I323 HydrophobicContact CE1-CG2 3.96Å; F283-I323 HydrophobicContact CZ-CB 4.22Å; F283-I323 HydrophobicContact CZ-CG2 4.21Å; S319-I323 VanDerWaalsContact O-CG1 3.32Å; S319-I323 WeakPolarHBondContact O-CG1 3.2Å; S319-I323 PolarHBondContact O-N 2.67Å; A320-I323 PolarHBondContact O-N 3.39Å; I323-E325 VanDerWaalsContact C-N 3.33Å; I323-E325 PolarHBondContact O-N 3.15Å; I323-G327 CarbonylContact O-C 3.48Å; I323-G327 WeakPolarHBondContact O-CA 3.46Å; I323-G327 PolarHBondContact O-N 2.93Å; I323-Y330 HydrophobicContact CG1-CD1 4.13Å; I323-T331 HydrophobicContact CD1-CG2 3.66Å; I323-T331 HydrophobicContact CG1-CG2 3.87Å; I323-F364 HydrophobicContact CD1-CB 3.81Å; I323-F364 HydrophobicContact CD1-CD1 3.43Å; I323-F364 VanDerWaalsContact CD1-CD1 3.43Å; I323-F364 HydrophobicContact CD1-CE1 4.17Å; I323-F364 HydrophobicContact CD1-CG 3.77Å
324	M	94.5	Very high	95.5	Very high	68 Å²	68	60.5 Å²	60.5	34%	0.335	30%	0.295	S	S	.	.	H	α-helix	trans	-65.2	-35.8	176.5	-66.2	176.6	68.7	0	0	112.8	F283 R291 K292 L295 A320 K321 K322	F283-M324 HydrophobicContact CE2-CG 3.91Å; F283-M324 HydrophobicContact CE2-SD 3.9Å; F283-M324 HydrophobicContact CZ-CG 3.83Å; F283-M324 HydrophobicContact CZ-SD 4.4Å; R291-M324 HydrophobicContact CB-CE 4.36Å; R291-M324 HydrophobicContact CB-CG 4.38Å; R291-M324 HydrophobicContact CB-SD 4.23Å; K292-M324 HydrophobicContact CG-CE 3.55Å; L295-M324 HydrophobicContact CD2-SD 3.83Å; A320-M324 WeakPolarHBondContact O-CG 3.37Å; A320-M324 PolarHBondContact O-N 2.66Å; K321-M324 PolarHBondContact O-N 2.88Å; K322-M324 VanDerWaalsContact C-N 3.35Å
325	E	95	Very high	95.4	Very high	125 Å²	125	55.4 Å²	55.4	58%	0.584	28%	0.276	S	S	*	.	H	α-helix	trans	-78.6	-40.9	-179.5	-174.9	-166.3	146.5	0	0	113	K321 K322 I323	K321-E325 PolarHBondContact O-N 3.05Å; K322-E325 IonicContact NZ-OE1 2.65Å; K322-E325 PolarHBondContact NZ-OE1 3.14Å; K322-E325 IonicContact NZ-OE2 2.81Å; K322-E325 PolarHBondContact NZ-OE2 3.28Å; K322-E325 PolarHBondContact O-N 3.47Å; I323-E325 VanDerWaalsContact C-N 3.33Å; I323-E325 PolarHBondContact O-N 3.15Å
326	K	94.6	Very high	95.4	Very high	124 Å²	124	57.8 Å²	57.8	54%	0.539	29%	0.286	S	S	.	.	H	α-helix	trans	-115	-2.6	-167.3	-60.5	-174.5	174.5	-171.4	0	114.4	K322 Y330	K322-K326 HydrophobicContact CD-CD 4.36Å; K322-K326 WeakPolarHBondContact O-CB 3.44Å; K322-K326 PolarHBondContact O-N 2.89Å; K326-Y330 HydrophobicContact CB-CD2 4.47Å; K326-Y330 HydrophobicContact CD-CD2 3.91Å; K326-Y330 HydrophobicContact CD-CE2 4.38Å
327	G	92	Very high	95.3	Very high	33 Å²	33	62 Å²	62	34%	0.34	30%	0.302	S	S	.	.			trans	85.3	172.9	-176.3	0	0	0	0	0	114	I323 E329 Y330	I323-G327 CarbonylContact O-C 3.48Å; I323-G327 WeakPolarHBondContact O-CA 3.46Å; I323-G327 PolarHBondContact O-N 2.93Å; G327-E329 VanDerWaalsContact C-N 3.28Å; G327-E329 PolarHBondContact O-N 2.66Å; G327-Y330 VanDerWaalsContact O-CB 3.26Å; G327-Y330 WeakPolarHBondContact O-CB 3.47Å; G327-Y330 PolarHBondContact O-N 2.79Å; G327-Y330 VanDerWaalsContact O-N 3.17Å
328	S	86.5	Confident	95.3	Very high	78 Å²	78	61.5 Å²	61.5	55%	0.545	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.1	-175.7	51	0	0	0	0	113.9	Y330 T331	S328-Y330 PolarHBondContact O-N 2.8Å; S328-Y330 VanDerWaalsContact O-N 3.08Å; S328-T331 PolarHBondContact O-OG1 2.92Å
329	E	91.7	Very high	95.3	Very high	99 Å²	99	60.7 Å²	60.7	46%	0.463	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.7	178.7	-65.6	-57.5	117.6	0	0	113.9	G327 T331 K333	G327-E329 VanDerWaalsContact C-N 3.28Å; G327-E329 PolarHBondContact O-N 2.66Å; E329-T331 VanDerWaalsContact C-N 3.34Å; E329-T331 PolarHBondContact O-N 2.93Å; E329-K333 WeakPolarHBondContact O-CG 3.24Å; E329-K333 PolarHBondContact O-N 3.15Å; E329-K333 VanDerWaalsContact O-N 3.11Å
330	Y	94.3	Very high	95.3	Very high	28 Å²	28	66.8 Å²	66.8	11%	0.11	32%	0.315	C	S	.	.	H	α-helix	trans	-55.5	-47.9	178.6	168.3	-107.6	0	0	0	112.3	K322 I323 K326 G327 S328 K332 K333 E334 L361	K322-Y330 HydrophobicContact CB-CD1 3.59Å; K322-Y330 HydrophobicContact CB-CD2 4.2Å; K322-Y330 HydrophobicContact CB-CE1 3.3Å; K322-Y330 HydrophobicContact CB-CE2 3.96Å; K322-Y330 HydrophobicContact CB-CG 4.02Å; K322-Y330 HydrophobicContact CG-CE1 4.09Å; K322-Y330 HydrophobicContact CG-CE2 4.31Å; I323-Y330 HydrophobicContact CG1-CD1 4.13Å; K326-Y330 HydrophobicContact CB-CD2 4.47Å; K326-Y330 HydrophobicContact CD-CD2 3.91Å; K326-Y330 HydrophobicContact CD-CE2 4.38Å; G327-Y330 VanDerWaalsContact O-CB 3.26Å; G327-Y330 WeakPolarHBondContact O-CB 3.47Å; G327-Y330 PolarHBondContact O-N 2.79Å; G327-Y330 VanDerWaalsContact O-N 3.17Å; S328-Y330 PolarHBondContact O-N 2.8Å; S328-Y330 VanDerWaalsContact O-N 3.08Å; Y330-K332 PolarHBondContact O-N 2.97Å; Y330-K333 PolarHBondContact O-N 3.29Å; Y330-E334 HydrophobicContact CE2-CB 4.03Å; Y330-E334 HydrophobicContact CE2-CG 4.41Å; Y330-E334 VanDerWaalsContact O-CB 3.3Å; Y330-E334 WeakPolarHBondContact O-CB 3.19Å; Y330-E334 PolarHBondContact O-N 3.45Å; Y330-L361 HydrophobicContact CE1-CD2 4.06Å
331	T	94.5	Very high	95.4	Very high	7 Å²	7	69.2 Å²	69.2	4%	0.043	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-45.6	-173.8	54.1	0	0	0	0	110.8	I323 S328 E329 E334 S335 L361 F364 S365	I323-T331 HydrophobicContact CD1-CG2 3.66Å; I323-T331 HydrophobicContact CG1-CG2 3.87Å; S328-T331 PolarHBondContact O-OG1 2.92Å; E329-T331 VanDerWaalsContact C-N 3.34Å; E329-T331 PolarHBondContact O-N 2.93Å; T331-E334 PolarHBondContact O-N 2.94Å; T331-S335 VanDerWaalsContact O-CB 3.31Å; T331-S335 WeakPolarHBondContact O-CB 3.36Å; T331-S335 PolarHBondContact O-N 2.87Å; T331-S335 PolarHBondContact O-OG 3.3Å; T331-L361 HydrophobicContact CG2-CD2 4.1Å; T331-F364 HydrophobicContact CG2-CB 3.66Å; T331-S365 WeakPolarHBondContact CB-OG 3.05Å; T331-S365 PolarHBondContact OG1-OG 3.39Å; T331-S365 VanDerWaalsContact OG1-OG 3.07Å
332	K	94.5	Very high	95.3	Very high	116 Å²	116	67.2 Å²	67.2	50%	0.504	32%	0.32	S	S	.	.	H	α-helix	trans	-58.3	-53.3	175.3	-177	179.5	177.1	-178.2	0	111.8	Y330 E334 S335 E336	Y330-K332 PolarHBondContact O-N 2.97Å; K332-E334 VanDerWaalsContact C-N 3.3Å; K332-E334 PolarHBondContact O-N 3.25Å; K332-S335 PolarHBondContact O-N 3.42Å; K332-E336 VanDerWaalsContact CE-OE1 3.28Å; K332-E336 WeakPolarHBondContact CE-OE1 3.05Å; K332-E336 WeakPolarHBondContact O-CG 3.41Å; K332-E336 PolarHBondContact O-N 2.97Å
333	K	96.2	Very high	95.3	Very high	137 Å²	137	70.4 Å²	70.4	60%	0.596	34%	0.336	S	S	*	.	H	α-helix	trans	-61	-39.6	-179.4	-71.4	176.9	-178.1	176.5	0	112.2	E329 Y330 R337	E329-K333 WeakPolarHBondContact O-CG 3.24Å; E329-K333 PolarHBondContact O-N 3.15Å; E329-K333 VanDerWaalsContact O-N 3.11Å; Y330-K333 PolarHBondContact O-N 3.29Å; K333-R337 WeakPolarHBondContact O-CB 3.36Å; K333-R337 PolarHBondContact O-N 2.93Å
334	E	97.5	Very high	95.2	Very high	21 Å²	21	77 Å²	77	10%	0.098	37%	0.365	C	S	.	.	H	α-helix	trans	-71.6	-41.5	178.5	-177.9	64.1	178.5	0	0	111.7	Y330 T331 K332 E336 R337 L338 K357 L361	Y330-E334 HydrophobicContact CE2-CB 4.03Å; Y330-E334 HydrophobicContact CE2-CG 4.41Å; Y330-E334 VanDerWaalsContact O-CB 3.3Å; Y330-E334 WeakPolarHBondContact O-CB 3.19Å; Y330-E334 PolarHBondContact O-N 3.45Å; T331-E334 PolarHBondContact O-N 2.94Å; K332-E334 VanDerWaalsContact C-N 3.3Å; K332-E334 PolarHBondContact O-N 3.25Å; E334-E336 PolarHBondContact O-N 2.81Å; E334-R337 WeakPolarHBondContact O-CB 3.4Å; E334-R337 PolarHBondContact O-N 3.36Å; E334-R337 IonicContact OE1-CZ 3.81Å; E334-R337 IonicContact OE1-NE 2.63Å; E334-R337 PolarHBondContact OE1-NE 3.32Å; E334-R337 IonicContact OE1-NH2 2.66Å; E334-R337 PolarHBondContact OE1-NH2 3.22Å; E334-R337 IonicContact OE2-CZ 2.72Å; E334-R337 IonicContact OE2-NE 2.71Å; E334-R337 PolarHBondContact OE2-NE 2.93Å; E334-R337 IonicContact OE2-NH2 2.85Å; E334-L338 HydrophobicContact CG-CD1 4.18Å; E334-L338 HydrophobicContact CG-CG 4.46Å; E334-L338 VanDerWaalsContact O-CG 3.28Å; E334-L338 WeakPolarHBondContact O-CG 3.5Å; E334-L338 PolarHBondContact O-N 2.88Å; E334-K357 WeakPolarHBondContact OE1-CE 3.29Å; E334-K357 IonicContact OE1-NZ 3.45Å; E334-K357 PolarHBondContact OE1-NZ 3.41Å; E334-L361 HydrophobicContact CB-CD1 3.93Å; E334-L361 HydrophobicContact CG-CD1 3.46Å; E334-L361 VanDerWaalsContact CG-CD1 3.46Å
335	S	96.5	Very high	95.2	Very high	24 Å²	24	80 Å²	80	17%	0.168	39%	0.392	C	S	.	.	H	α-helix	trans	-60.4	-44.4	174.5	-69.7	0	0	0	0	111.9	T331 K332 R337 L338 Q339	T331-S335 VanDerWaalsContact O-CB 3.31Å; T331-S335 WeakPolarHBondContact O-CB 3.36Å; T331-S335 PolarHBondContact O-N 2.87Å; T331-S335 PolarHBondContact O-OG 3.3Å; K332-S335 PolarHBondContact O-N 3.42Å; S335-R337 VanDerWaalsContact C-N 3.33Å; S335-R337 PolarHBondContact O-N 3.43Å; S335-L338 PolarHBondContact O-N 3.49Å; S335-Q339 WeakPolarHBondContact O-CB 3.23Å; S335-Q339 PolarHBondContact O-N 3.16Å
336	E	97.2	Very high	95.1	Very high	89 Å²	89	76.7 Å²	76.7	42%	0.416	38%	0.378	S	S	.	.	H	α-helix	trans	-62.7	-39	174.1	-71.4	172.5	-174.4	0	0	112	K332 E334 Q339 R340	K332-E336 VanDerWaalsContact CE-OE1 3.28Å; K332-E336 WeakPolarHBondContact CE-OE1 3.05Å; K332-E336 WeakPolarHBondContact O-CG 3.41Å; K332-E336 PolarHBondContact O-N 2.97Å; E334-E336 PolarHBondContact O-N 2.81Å; E336-Q339 PolarHBondContact O-N 2.85Å; E336-R340 WeakPolarHBondContact O-CG 3.44Å; E336-R340 PolarHBondContact O-N 3.29Å; E336-R340 VanDerWaalsContact O-N 3.11Å; E336-R340 PolarHBondContact O-NH1 3.09Å
337	R	97.8	Very high	95.1	Very high	92 Å²	92	74 Å²	74	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-62.9	-47.3	175.4	-171.7	-171.6	75.3	80.7	8.4	111.1	K333 E334 S335 Q339 R340 M341	K333-R337 WeakPolarHBondContact O-CB 3.36Å; K333-R337 PolarHBondContact O-N 2.93Å; E334-R337 WeakPolarHBondContact O-CB 3.4Å; E334-R337 PolarHBondContact O-N 3.36Å; E334-R337 IonicContact OE1-CZ 3.81Å; E334-R337 IonicContact OE1-NE 2.63Å; E334-R337 PolarHBondContact OE1-NE 3.32Å; E334-R337 IonicContact OE1-NH2 2.66Å; E334-R337 PolarHBondContact OE1-NH2 3.22Å; E334-R337 IonicContact OE2-CZ 2.72Å; E334-R337 IonicContact OE2-NE 2.71Å; E334-R337 PolarHBondContact OE2-NE 2.93Å; E334-R337 IonicContact OE2-NH2 2.85Å; S335-R337 VanDerWaalsContact C-N 3.33Å; S335-R337 PolarHBondContact O-N 3.43Å; R337-Q339 VanDerWaalsContact C-N 3.33Å; R337-R340 PolarHBondContact O-N 3.45Å; R337-M341 PolarHBondContact NH1-SD 2.8Å; R337-M341 WeakPolarHBondContact O-CG 3.48Å; R337-M341 PolarHBondContact O-N 2.93Å; R337-M341 VanDerWaalsContact O-N 3.14Å
338	L	97.7	Very high	95.1	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63	-40.2	178.7	-67.9	169.2	0	0	0	111.3	E334 S335 R340 M341 L342 F354 K357 K358 L361	E334-L338 HydrophobicContact CG-CD1 4.18Å; E334-L338 HydrophobicContact CG-CG 4.46Å; E334-L338 VanDerWaalsContact O-CG 3.28Å; E334-L338 WeakPolarHBondContact O-CG 3.5Å; E334-L338 PolarHBondContact O-N 2.88Å; S335-L338 PolarHBondContact O-N 3.49Å; L338-R340 PolarHBondContact O-N 3.07Å; L338-M341 WeakPolarHBondContact O-CA 3.24Å; L338-M341 WeakPolarHBondContact O-CB 3.41Å; L338-M341 PolarHBondContact O-N 3.11Å; L338-L342 WeakPolarHBondContact O-CG 3.48Å; L338-L342 PolarHBondContact O-N 2.88Å; L338-F354 HydrophobicContact CD2-CB 4.11Å; L338-F354 HydrophobicContact CD2-CD1 3.47Å; L338-F354 VanDerWaalsContact CD2-CD1 3.47Å; L338-F354 HydrophobicContact CD2-CE1 4.04Å; L338-F354 HydrophobicContact CD2-CG 3.86Å; L338-K357 HydrophobicContact CD1-CB 4.02Å; L338-K357 HydrophobicContact CD1-CD 3.92Å; L338-K357 HydrophobicContact CD1-CG 3.84Å; L338-K357 HydrophobicContact CD2-CD 4.33Å; L338-K358 HydrophobicContact CD1-CB 4.26Å; L338-L361 HydrophobicContact CD1-CD1 3.79Å
339	Q	97.3	Very high	95.5	Very high	73 Å²	73	76.3 Å²	76.3	34%	0.341	38%	0.384	S	S	.	.	H	α-helix	trans	-59.2	-47.7	175.5	-174	57.4	44	0	0	111.7	S335 E336 R337 M341 L342 E343	S335-Q339 WeakPolarHBondContact O-CB 3.23Å; S335-Q339 PolarHBondContact O-N 3.16Å; E336-Q339 PolarHBondContact O-N 2.85Å; R337-Q339 VanDerWaalsContact C-N 3.33Å; Q339-M341 PolarHBondContact O-N 3.31Å; Q339-L342 PolarHBondContact O-N 2.89Å; Q339-L342 VanDerWaalsContact O-N 3.14Å; Q339-E343 PolarHBondContact NE2-OE1 3.14Å; Q339-E343 PolarHBondContact O-N 3.34Å
340	R	97.9	Very high	95.6	Very high	130 Å²	130	74.9 Å²	74.9	49%	0.491	38%	0.376	S	S	.	.	H	α-helix	trans	-62.3	-23.2	173.6	-69.9	-170.6	-60.6	-86	2.7	113.9	E336 R337 L338	E336-R340 WeakPolarHBondContact O-CG 3.44Å; E336-R340 PolarHBondContact O-N 3.29Å; E336-R340 VanDerWaalsContact O-N 3.11Å; E336-R340 PolarHBondContact O-NH1 3.09Å; R337-R340 PolarHBondContact O-N 3.45Å; L338-R340 PolarHBondContact O-N 3.07Å
341	M	97.6	Very high	95.8	Very high	52 Å²	52	74.7 Å²	74.7	26%	0.256	38%	0.38	S	S	.	.	H	α-helix	trans	-81.3	-36.7	175.1	-67.6	-174.9	81.2	0	0	112.1	R337 L338 Q339 E343 K344 F354	R337-M341 PolarHBondContact NH1-SD 2.8Å; R337-M341 WeakPolarHBondContact O-CG 3.48Å; R337-M341 PolarHBondContact O-N 2.93Å; R337-M341 VanDerWaalsContact O-N 3.14Å; L338-M341 WeakPolarHBondContact O-CA 3.24Å; L338-M341 WeakPolarHBondContact O-CB 3.41Å; L338-M341 PolarHBondContact O-N 3.11Å; Q339-M341 PolarHBondContact O-N 3.31Å; M341-E343 PolarHBondContact O-N 3.19Å; M341-K344 WeakPolarHBondContact O-CB 3.23Å; M341-K344 PolarHBondContact O-N 2.9Å; M341-K344 VanDerWaalsContact O-N 3.09Å; M341-F354 HydrophobicContact CB-CD2 3.83Å; M341-F354 HydrophobicContact CB-CE2 3.55Å; M341-F354 HydrophobicContact CB-CZ 4.31Å; M341-F354 HydrophobicContact CE-CE1 4.22Å; M341-F354 HydrophobicContact CE-CE2 3.56Å; M341-F354 HydrophobicContact CE-CZ 3.22Å; M341-F354 HydrophobicContact CG-CE2 4.3Å; M341-F354 HydrophobicContact SD-CE1 4.21Å; M341-F354 HydrophobicContact SD-CE2 3.87Å; M341-F354 HydrophobicContact SD-CZ 3.62Å
342	L	96	Very high	95.9	Very high	43 Å²	43	75.5 Å²	75.5	23%	0.225	39%	0.385	C	S	.	.	H	α-helix	trans	-64.4	-24.8	174.7	-72.6	166.4	0	0	0	112.4	L338 Q339 K344 I346 A351 F354 V355 K358	L338-L342 WeakPolarHBondContact O-CG 3.48Å; L338-L342 PolarHBondContact O-N 2.88Å; Q339-L342 PolarHBondContact O-N 2.89Å; Q339-L342 VanDerWaalsContact O-N 3.14Å; L342-K344 VanDerWaalsContact C-N 3.28Å; L342-I346 HydrophobicContact CD2-CD1 4.21Å; L342-A351 HydrophobicContact CD2-CB 4.06Å; L342-F354 HydrophobicContact CD1-CB 4.46Å; L342-F354 HydrophobicContact CD2-CB 3.9Å; L342-F354 HydrophobicContact CD2-CD2 4.42Å; L342-F354 HydrophobicContact CG-CB 4.07Å; L342-V355 HydrophobicContact CD1-CG2 4.12Å; L342-V355 HydrophobicContact CD2-CG2 3.96Å; L342-K358 HydrophobicContact CD1-CD 4.49Å
343	E	96	Very high	96	Very high	136 Å²	136	74.6 Å²	74.6	64%	0.636	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.4	174	-71	161.7	-163.3	0	0	113.7	Q339 M341	Q339-E343 PolarHBondContact NE2-OE1 3.14Å; Q339-E343 PolarHBondContact O-N 3.34Å; M341-E343 PolarHBondContact O-N 3.19Å
344	K	94.3	Very high	96	Very high	143 Å²	143	68.4 Å²	68.4	62%	0.622	36%	0.355	S	S	*	.	S	Bend	trans	-89.9	159.7	176.6	-63.3	179.6	-177.7	-172.9	0	110.2	M341 L342 I346	M341-K344 WeakPolarHBondContact O-CB 3.23Å; M341-K344 PolarHBondContact O-N 2.9Å; M341-K344 VanDerWaalsContact O-N 3.09Å; L342-K344 VanDerWaalsContact C-N 3.28Å; K344-I346 HydrophobicContact CB-CG2 4.28Å; K344-I346 PolarHBondContact O-N 2.97Å
345	S	93.7	Very high	96.1	Very high	131 Å²	131	68.5 Å²	68.5	92%	0.916	36%	0.357	S	S	*	.			trans	-65.9	107.4	166.8	-173.1	0	0	0	0	109.6
346	I	93.9	Very high	96.1	Very high	54 Å²	54	68.3 Å²	68.3	28%	0.277	35%	0.354	S	S	.	.			trans	-132.6	160.2	178.4	61.5	173.9	0	0	0	109.6	L342 K344 A351 F354	L342-I346 HydrophobicContact CD2-CD1 4.21Å; K344-I346 HydrophobicContact CB-CG2 4.28Å; K344-I346 PolarHBondContact O-N 2.97Å; I346-A351 HydrophobicContact CD1-CB 3.85Å; I346-A351 HydrophobicContact CG1-CB 4.21Å; I346-F354 HydrophobicContact CD1-CD2 3.68Å; I346-F354 HydrophobicContact CD1-CE2 3.86Å
347	S	94.4	Very high	96.1	Very high	69 Å²	69	66.5 Å²	66.5	48%	0.483	35%	0.345	S	S	.	.			trans	-67.3	150.6	176.8	63	0	0	0	0	111.4	S349 K350 A351	S347-S349 VanDerWaalsContact C-N 3.35Å; S347-S349 PolarHBondContact O-N 2.99Å; S347-K350 WeakPolarHBondContact O-CB 3.09Å; S347-K350 PolarHBondContact O-N 2.85Å; S347-K350 WeakPolarHBondContact OG-CB 3.23Å; S347-K350 PolarHBondContact OG-N 2.86Å; S347-A351 PolarHBondContact O-N 2.76Å
348	P	92	Very high	96.1	Very high	80 Å²	80	64.8 Å²	64.8	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-54.4	-46.8	177.9	-28.4	36.1	0	0	0	113.3	Q197 K350 A351 D352	Q197-P348 HydrophobicContact CG-CB 4.05Å; P348-K350 VanDerWaalsContact C-N 3.26Å; P348-K350 PolarHBondContact O-N 2.82Å; P348-A351 WeakPolarHBondContact O-CA 3.29Å; P348-A351 WeakPolarHBondContact O-CB 3.46Å; P348-A351 PolarHBondContact O-N 2.8Å; P348-D352 PolarHBondContact O-N 2.83Å
349	S	93.8	Very high	96.1	Very high	78 Å²	78	65.4 Å²	65.4	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-56.1	-37.5	174.4	174.2	0	0	0	0	113.3	S347 D352 E353	S347-S349 VanDerWaalsContact C-N 3.35Å; S347-S349 PolarHBondContact O-N 2.99Å; S349-D352 PolarHBondContact O-N 2.66Å; S349-E353 PolarHBondContact O-N 3.13Å; S349-E353 VanDerWaalsContact O-N 3.15Å
350	K	95.7	Very high	96.2	Very high	69 Å²	69	62 Å²	62	30%	0.3	33%	0.327	S	S	.	.	H	α-helix	trans	-74	-34.6	177.3	-165.2	69.6	-171.7	169.6	0	112.2	S347 P348 E353 F354	S347-K350 WeakPolarHBondContact O-CB 3.09Å; S347-K350 PolarHBondContact O-N 2.85Å; S347-K350 WeakPolarHBondContact OG-CB 3.23Å; S347-K350 PolarHBondContact OG-N 2.86Å; P348-K350 VanDerWaalsContact C-N 3.26Å; P348-K350 PolarHBondContact O-N 2.82Å; K350-E353 IonicContact NZ-OE1 2.66Å; K350-E353 PolarHBondContact NZ-OE1 3.15Å; K350-E353 IonicContact NZ-OE2 3.78Å; K350-E353 PolarHBondContact NZ-OE2 3.22Å; K350-E353 PolarHBondContact O-N 3.42Å; K350-F354 HydrophobicContact CD-CE1 4.27Å; K350-F354 HydrophobicContact CD-CZ 4.05Å; K350-F354 HydrophobicContact CG-CD2 4.44Å; K350-F354 HydrophobicContact CG-CE1 4.31Å; K350-F354 HydrophobicContact CG-CE2 3.81Å; K350-F354 HydrophobicContact CG-CZ 3.73Å; K350-F354 WeakPolarHBondContact O-CG 3.5Å; K350-F354 PolarHBondContact O-N 2.57Å; K350-F354 VanDerWaalsContact O-N 3.12Å
351	A	96.6	Very high	96.1	Very high	25 Å²	25	55.8 Å²	55.8	21%	0.207	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-46.5	172.2	0	0	0	0	0	110.7	L342 I346 S347 P348 E353 F354 V355	L342-A351 HydrophobicContact CD2-CB 4.06Å; I346-A351 HydrophobicContact CD1-CB 3.85Å; I346-A351 HydrophobicContact CG1-CB 4.21Å; S347-A351 PolarHBondContact O-N 2.76Å; P348-A351 WeakPolarHBondContact O-CA 3.29Å; P348-A351 WeakPolarHBondContact O-CB 3.46Å; P348-A351 PolarHBondContact O-N 2.8Å; A351-E353 PolarHBondContact O-N 2.78Å; A351-F354 PolarHBondContact O-N 2.96Å; A351-F354 VanDerWaalsContact O-N 3.12Å; A351-V355 WeakPolarHBondContact O-CG2 3.36Å; A351-V355 PolarHBondContact O-N 3.06Å
352	D	96.9	Very high	96	Very high	24 Å²	24	56.1 Å²	56.1	13%	0.128	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-45.5	177	-79.6	7.8	0	0	0	111.5	R260 L266 P348 S349 F354 V355 I356	R260-D352 IonicContact CZ-OD2 3.53Å; R260-D352 IonicContact NH1-OD1 2.64Å; R260-D352 IonicContact NH1-OD2 2.66Å; R260-D352 PolarHBondContact NH1-OD2 3.26Å; R260-D352 VanDerWaalsContact NH1-OD2 3.08Å; R260-D352 IonicContact NH2-OD2 3.33Å; R260-D352 PolarHBondContact NH2-OD2 2.73Å; L266-D352 HydrophobicContact CD1-CB 3.66Å; L266-D352 HydrophobicContact CG-CB 4.45Å; P348-D352 PolarHBondContact O-N 2.83Å; S349-D352 PolarHBondContact O-N 2.66Å; D352-F354 VanDerWaalsContact C-N 3.31Å; D352-F354 PolarHBondContact O-N 3.35Å; D352-V355 PolarHBondContact O-N 2.94Å; D352-I356 WeakPolarHBondContact O-CB 3.42Å; D352-I356 WeakPolarHBondContact O-CD1 3.45Å; D352-I356 VanDerWaalsContact O-CG1 3.31Å; D352-I356 WeakPolarHBondContact O-CG1 3.25Å; D352-I356 PolarHBondContact O-N 3.26Å
353	E	96.2	Very high	96	Very high	96 Å²	96	55.6 Å²	55.6	45%	0.449	31%	0.31	S	S	.	.	H	α-helix	trans	-57.2	-42.5	175.4	-172	-166	135.4	0	0	112.3	S349 K350 A351 K357	S349-E353 PolarHBondContact O-N 3.13Å; S349-E353 VanDerWaalsContact O-N 3.15Å; K350-E353 IonicContact NZ-OE1 2.66Å; K350-E353 PolarHBondContact NZ-OE1 3.15Å; K350-E353 IonicContact NZ-OE2 3.78Å; K350-E353 PolarHBondContact NZ-OE2 3.22Å; K350-E353 PolarHBondContact O-N 3.42Å; A351-E353 PolarHBondContact O-N 2.78Å; E353-K357 WeakPolarHBondContact O-CB 3.28Å; E353-K357 PolarHBondContact O-N 2.82Å
354	F	97.8	Very high	96	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-71.2	-38.5	179	-67.7	-19	0	0	0	113	L338 M341 L342 I346 K350 A351 D352 K357 K358	L338-F354 HydrophobicContact CD2-CB 4.11Å; L338-F354 HydrophobicContact CD2-CD1 3.47Å; L338-F354 VanDerWaalsContact CD2-CD1 3.47Å; L338-F354 HydrophobicContact CD2-CE1 4.04Å; L338-F354 HydrophobicContact CD2-CG 3.86Å; M341-F354 HydrophobicContact CB-CD2 3.83Å; M341-F354 HydrophobicContact CB-CE2 3.55Å; M341-F354 HydrophobicContact CB-CZ 4.31Å; M341-F354 HydrophobicContact CE-CE1 4.22Å; M341-F354 HydrophobicContact CE-CE2 3.56Å; M341-F354 HydrophobicContact CE-CZ 3.22Å; M341-F354 HydrophobicContact CG-CE2 4.3Å; M341-F354 HydrophobicContact SD-CE1 4.21Å; M341-F354 HydrophobicContact SD-CE2 3.87Å; M341-F354 HydrophobicContact SD-CZ 3.62Å; L342-F354 HydrophobicContact CD1-CB 4.46Å; L342-F354 HydrophobicContact CD2-CB 3.9Å; L342-F354 HydrophobicContact CD2-CD2 4.42Å; L342-F354 HydrophobicContact CG-CB 4.07Å; I346-F354 HydrophobicContact CD1-CD2 3.68Å; I346-F354 HydrophobicContact CD1-CE2 3.86Å; K350-F354 HydrophobicContact CD-CE1 4.27Å; K350-F354 HydrophobicContact CD-CZ 4.05Å; K350-F354 HydrophobicContact CG-CD2 4.44Å; K350-F354 HydrophobicContact CG-CE1 4.31Å; K350-F354 HydrophobicContact CG-CE2 3.81Å; K350-F354 HydrophobicContact CG-CZ 3.73Å; K350-F354 WeakPolarHBondContact O-CG 3.5Å; K350-F354 PolarHBondContact O-N 2.57Å; K350-F354 VanDerWaalsContact O-N 3.12Å; A351-F354 PolarHBondContact O-N 2.96Å; A351-F354 VanDerWaalsContact O-N 3.12Å; D352-F354 VanDerWaalsContact C-N 3.31Å; D352-F354 PolarHBondContact O-N 3.35Å; F354-K357 PolarHBondContact O-N 2.85Å; F354-K358 VanDerWaalsContact O-CB 3.25Å; F354-K358 WeakPolarHBondContact O-CB 3.38Å; F354-K358 PolarHBondContact O-N 2.82Å
355	V	98.1	Very high	95.6	Very high	24 Å²	24	46 Å²	46	15%	0.145	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-49.3	175.7	173.9	0	0	0	0	110.3	L266 L342 A351 D352 K357 K358 N359	L266-V355 HydrophobicContact CB-CB 4.28Å; L266-V355 HydrophobicContact CB-CG1 3.71Å; L342-V355 HydrophobicContact CD1-CG2 4.12Å; L342-V355 HydrophobicContact CD2-CG2 3.96Å; A351-V355 WeakPolarHBondContact O-CG2 3.36Å; A351-V355 PolarHBondContact O-N 3.06Å; D352-V355 PolarHBondContact O-N 2.94Å; V355-K357 VanDerWaalsContact C-N 3.31Å; V355-K357 PolarHBondContact O-N 3.43Å; V355-K358 WeakPolarHBondContact O-CB 3.37Å; V355-K358 PolarHBondContact O-N 2.95Å; V355-K358 VanDerWaalsContact O-N 3.09Å; V355-N359 VanDerWaalsContact O-CG 3.23Å; V355-N359 PolarHBondContact O-N 3.38Å; V355-N359 PolarHBondContact O-OD1 3.3Å
356	I	97.7	Very high	94.2	Very high	20 Å²	20	47 Å²	47	10%	0.103	28%	0.281	C	S	.	.	H	α-helix	trans	-54.4	-49.3	176.4	-72.9	161.1	0	0	0	110.6	L266 A270 Y312 I315 D352 K358 N359 I360	L266-I356 HydrophobicContact CD1-CD1 3.8Å; L266-I356 HydrophobicContact CD1-CG1 3.68Å; A270-I356 HydrophobicContact CB-CG1 4.46Å; Y312-I356 HydrophobicContact CD1-CG2 3.7Å; Y312-I356 HydrophobicContact CE1-CD1 3.87Å; Y312-I356 HydrophobicContact CE1-CG1 4.36Å; Y312-I356 HydrophobicContact CE1-CG2 3.78Å; I315-I356 HydrophobicContact CD1-CG2 3.97Å; D352-I356 WeakPolarHBondContact O-CB 3.42Å; D352-I356 WeakPolarHBondContact O-CD1 3.45Å; D352-I356 VanDerWaalsContact O-CG1 3.31Å; D352-I356 WeakPolarHBondContact O-CG1 3.25Å; D352-I356 PolarHBondContact O-N 3.26Å; I356-K358 VanDerWaalsContact C-N 3.35Å; I356-K358 PolarHBondContact O-N 3.48Å; I356-N359 PolarHBondContact O-N 3.42Å; I356-I360 HydrophobicContact CG2-CD1 3.95Å; I356-I360 WeakPolarHBondContact O-CG1 3.32Å; I356-I360 PolarHBondContact O-N 3.34Å
357	K	97.9	Very high	94.2	Very high	50 Å²	50	46.6 Å²	46.6	22%	0.217	28%	0.282	C	S	.	.	H	α-helix	trans	-63.1	-41.7	179.2	-171.8	176.4	-177.9	-173.4	0	111.8	I315 E334 L338 E353 F354 V355 I360 L361	I315-K357 HydrophobicContact CG2-CG 4.14Å; E334-K357 WeakPolarHBondContact OE1-CE 3.29Å; E334-K357 IonicContact OE1-NZ 3.45Å; E334-K357 PolarHBondContact OE1-NZ 3.41Å; L338-K357 HydrophobicContact CD1-CB 4.02Å; L338-K357 HydrophobicContact CD1-CD 3.92Å; L338-K357 HydrophobicContact CD1-CG 3.84Å; L338-K357 HydrophobicContact CD2-CD 4.33Å; E353-K357 WeakPolarHBondContact O-CB 3.28Å; E353-K357 PolarHBondContact O-N 2.82Å; F354-K357 PolarHBondContact O-N 2.85Å; V355-K357 VanDerWaalsContact C-N 3.31Å; V355-K357 PolarHBondContact O-N 3.43Å; K357-I360 PolarHBondContact O-N 3.13Å; K357-L361 HydrophobicContact CG-CD1 4.08Å; K357-L361 HydrophobicContact CG-CG 4.44Å; K357-L361 WeakPolarHBondContact O-CB 3.23Å; K357-L361 WeakPolarHBondContact O-CG 3.44Å; K357-L361 PolarHBondContact O-N 2.8Å
358	K	97.5	Very high	94.2	Very high	57 Å²	57	45.4 Å²	45.4	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-43.3	178.5	-169.1	-180	77.5	-178.9	0	111.5	L338 L342 F354 V355 I356 L361 S362	L338-K358 HydrophobicContact CD1-CB 4.26Å; L342-K358 HydrophobicContact CD1-CD 4.49Å; F354-K358 VanDerWaalsContact O-CB 3.25Å; F354-K358 WeakPolarHBondContact O-CB 3.38Å; F354-K358 PolarHBondContact O-N 2.82Å; V355-K358 WeakPolarHBondContact O-CB 3.37Å; V355-K358 PolarHBondContact O-N 2.95Å; V355-K358 VanDerWaalsContact O-N 3.09Å; I356-K358 VanDerWaalsContact C-N 3.35Å; I356-K358 PolarHBondContact O-N 3.48Å; K358-L361 PolarHBondContact O-N 2.85Å; K358-S362 PolarHBondContact O-N 3.02Å
359	N	97.8	Very high	94.3	Very high	13 Å²	13	43.5 Å²	43.5	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-44.3	176.5	-66.7	-9.5	0	0	0	111.2	T267 S268 A270 I272 V355 I356 L361 S362	T267-N359 PolarHBondContact O-ND2 3.34Å; S268-N359 PolarHBondContact O-ND2 3.49Å; A270-N359 VanDerWaalsContact O-CB 3.31Å; A270-N359 WeakPolarHBondContact O-CB 2.97Å; A270-N359 PolarHBondContact O-ND2 3.07Å; I272-N359 HydrophobicContact CD1-CB 4.13Å; V355-N359 VanDerWaalsContact O-CG 3.23Å; V355-N359 PolarHBondContact O-N 3.38Å; V355-N359 PolarHBondContact O-OD1 3.3Å; I356-N359 PolarHBondContact O-N 3.42Å; N359-L361 PolarHBondContact O-N 3.02Å; N359-S362 PolarHBondContact O-N 3.46Å; N359-S362 PolarHBondContact O-OG 3.01Å
360	I	97.7	Very high	94.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-42	176.3	-66.8	170.8	0	0	0	111	G271 I315 Y316 I356 K357 S362 T363 F364	G271-I360 WeakPolarHBondContact O-CD1 3.02Å; G271-I360 VanDerWaalsContact O-CG1 3.32Å; G271-I360 WeakPolarHBondContact O-CG1 3.3Å; I315-I360 HydrophobicContact CB-CD1 3.77Å; I315-I360 HydrophobicContact CB-CG2 4.44Å; I315-I360 HydrophobicContact CD1-CD1 3.92Å; I315-I360 HydrophobicContact CG1-CD1 4.39Å; I315-I360 HydrophobicContact CG2-CB 4.26Å; I315-I360 HydrophobicContact CG2-CD1 3.92Å; I315-I360 HydrophobicContact CG2-CG2 3.98Å; Y316-I360 HydrophobicContact CD1-CG2 3.96Å; Y316-I360 HydrophobicContact CD2-CD1 4.16Å; Y316-I360 HydrophobicContact CD2-CG1 4.25Å; Y316-I360 HydrophobicContact CD2-CG2 3.63Å; Y316-I360 HydrophobicContact CE1-CG2 4Å; Y316-I360 HydrophobicContact CE2-CB 4.24Å; Y316-I360 HydrophobicContact CE2-CD1 3.92Å; Y316-I360 HydrophobicContact CE2-CG1 3.67Å; Y316-I360 HydrophobicContact CE2-CG2 3.68Å; Y316-I360 HydrophobicContact CG-CG2 3.78Å; I356-I360 HydrophobicContact CG2-CD1 3.95Å; I356-I360 WeakPolarHBondContact O-CG1 3.32Å; I356-I360 PolarHBondContact O-N 3.34Å; K357-I360 PolarHBondContact O-N 3.13Å; I360-S362 VanDerWaalsContact C-N 3.28Å; I360-S362 PolarHBondContact O-N 3Å; I360-T363 WeakPolarHBondContact O-CB 3.36Å; I360-T363 PolarHBondContact O-N 2.96Å; I360-T363 PolarHBondContact O-OG1 3.39Å; I360-F364 HydrophobicContact CG2-CE2 4.35Å; I360-F364 WeakPolarHBondContact O-CD2 3.29Å
361	L	97.1	Very high	94.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-29.2	178	-71.5	169.1	0	0	0	113.4	Y330 T331 E334 L338 K357 K358 N359 T363 F364 S365	Y330-L361 HydrophobicContact CE1-CD2 4.06Å; T331-L361 HydrophobicContact CG2-CD2 4.1Å; E334-L361 HydrophobicContact CB-CD1 3.93Å; E334-L361 HydrophobicContact CG-CD1 3.46Å; E334-L361 VanDerWaalsContact CG-CD1 3.46Å; L338-L361 HydrophobicContact CD1-CD1 3.79Å; K357-L361 HydrophobicContact CG-CD1 4.08Å; K357-L361 HydrophobicContact CG-CG 4.44Å; K357-L361 WeakPolarHBondContact O-CB 3.23Å; K357-L361 WeakPolarHBondContact O-CG 3.44Å; K357-L361 PolarHBondContact O-N 2.8Å; K358-L361 PolarHBondContact O-N 2.85Å; N359-L361 PolarHBondContact O-N 3.02Å; L361-T363 PolarHBondContact O-N 2.97Å; L361-F364 PolarHBondContact O-N 2.76Å; L361-S365 PolarHBondContact O-OG 3Å; L361-S365 VanDerWaalsContact O-OG 3.06Å
362	S	95.9	Very high	94.1	Very high	59 Å²	59	40.7 Å²	40.7	41%	0.413	24%	0.238	S	C	.	.	H	α-helix	trans	-66.4	-29.5	177	75.6	0	0	0	0	111.8	K358 N359 I360 F364 S365 S366	K358-S362 PolarHBondContact O-N 3.02Å; N359-S362 PolarHBondContact O-N 3.46Å; N359-S362 PolarHBondContact O-OG 3.01Å; I360-S362 VanDerWaalsContact C-N 3.28Å; I360-S362 PolarHBondContact O-N 3Å; S362-F364 PolarHBondContact O-N 2.81Å; S362-S365 PolarHBondContact O-N 2.77Å; S362-S366 PolarHBondContact O-N 3.3Å; S362-S366 PolarHBondContact O-OG 2.92Å
363	T	96.1	Very high	93.9	Very high	33 Å²	33	41.9 Å²	41.9	20%	0.202	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-26.7	174.4	74	0	0	0	0	113.1	I272 V280 Y316 I360 L361 S365	I272-T363 HydrophobicContact CD1-CG2 3.65Å; V280-T363 WeakPolarHBondContact CG1-O 3.29Å; Y316-T363 HydrophobicContact CE1-CG2 4.34Å; Y316-T363 WeakPolarHBondContact CE1-OG1 3.44Å; I360-T363 WeakPolarHBondContact O-CB 3.36Å; I360-T363 PolarHBondContact O-N 2.96Å; I360-T363 PolarHBondContact O-OG1 3.39Å; L361-T363 PolarHBondContact O-N 2.97Å; T363-S365 VanDerWaalsContact C-N 3.33Å
364	F	95.3	Very high	93.7	Very high	9 Å²	9	37.8 Å²	37.8	4%	0.039	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.2	175.8	-71.4	-88.2	0	0	0	113.5	V280 F283 L284 M298 Y316 A320 I323 T331 I360 L361 S362	V280-F364 HydrophobicContact CG1-CD1 3.86Å; V280-F364 HydrophobicContact CG1-CE1 3.97Å; V280-F364 HydrophobicContact CG1-CG 4.16Å; V280-F364 HydrophobicContact CG1-CZ 4.36Å; V280-F364 HydrophobicContact CG2-CE1 4.12Å; V280-F364 HydrophobicContact CG2-CE2 4.29Å; V280-F364 HydrophobicContact CG2-CZ 3.86Å; F283-F364 HydrophobicContact CD1-CD1 4.24Å; F283-F364 HydrophobicContact CD1-CE1 4.06Å; F283-F364 HydrophobicContact CE1-CD1 4.4Å; F283-F364 HydrophobicContact CE1-CE1 4.32Å; L284-F364 HydrophobicContact CD2-CD1 4.31Å; L284-F364 WeakPolarHBondContact CD2-O 3.3Å; M298-F364 HydrophobicContact CE-CE1 4.45Å; M298-F364 HydrophobicContact CE-CZ 4.27Å; Y316-F364 AromaticContact CD1-CE2 3.67Å; Y316-F364 HydrophobicContact CD1-CE2 3.67Å; Y316-F364 AromaticContact CD1-CZ 3.98Å; Y316-F364 HydrophobicContact CD1-CZ 3.98Å; Y316-F364 HydrophobicContact CE1-CE2 4.33Å; Y316-F364 HydrophobicContact CG-CE2 4.36Å; Y316-F364 WeakPolarHBondContact O-CZ 3.3Å; A320-F364 HydrophobicContact CB-CE1 3.99Å; A320-F364 HydrophobicContact CB-CZ 4.22Å; I323-F364 HydrophobicContact CD1-CB 3.81Å; I323-F364 HydrophobicContact CD1-CD1 3.43Å; I323-F364 VanDerWaalsContact CD1-CD1 3.43Å; I323-F364 HydrophobicContact CD1-CE1 4.17Å; I323-F364 HydrophobicContact CD1-CG 3.77Å; T331-F364 HydrophobicContact CG2-CB 3.66Å; I360-F364 HydrophobicContact CG2-CE2 4.35Å; I360-F364 WeakPolarHBondContact O-CD2 3.29Å; L361-F364 PolarHBondContact O-N 2.76Å; S362-F364 PolarHBondContact O-N 2.81Å
365	S	85.2	Confident	93.4	Very high	68 Å²	68	40.3 Å²	40.3	48%	0.476	25%	0.247	S	C	.	.			trans	-113.5	0.7	-177.2	-48	0	0	0	0	112.6	T331 L361 S362 T363	T331-S365 WeakPolarHBondContact CB-OG 3.05Å; T331-S365 PolarHBondContact OG1-OG 3.39Å; T331-S365 VanDerWaalsContact OG1-OG 3.07Å; L361-S365 PolarHBondContact O-OG 3Å; L361-S365 VanDerWaalsContact O-OG 3.06Å; S362-S365 PolarHBondContact O-N 2.77Å; T363-S365 VanDerWaalsContact C-N 3.33Å
366	S	64.3	Low	92.9	Very high	151 Å²	151	41.8 Å²	41.8	100%	1.056	26%	0.257	S	S	*	.			trans	-90.6	0	-176.1	-57.4	0	0	0	0	112.9	S362	S362-S366 PolarHBondContact O-N 3.3Å; S362-S366 PolarHBondContact O-OG 2.92Å

Retrieved 366 of 366 residues in 379.8 ms (Link to these results)

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