A0A077ZFX6_TRITR Loading...

polyribonucleotide nucleotidyltransferase

AlphaFold DB , UniProt , Accession A0A077ZFX6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 732 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	34.1	Very low	243 Å²	243	147.1 Å²	147.1	100%	1.197	77%	0.767	S	S	*	*				0	100.5	0	-83.1	178.3	-102.8	0	0	106	E3	M1-E3 PolarHBondContact O-N 3.09Å
2	Q	36.5	Very low	34	Very low	199 Å²	199	141 Å²	141	93%	0.93	75%	0.745	S	S	*	*			trans	-69.4	125.3	-174.2	-80.5	163.2	-35.3	0	0	109.6	A4	Q2-A4 PolarHBondContact O-N 3.2Å; Q2-A4 VanDerWaalsContact O-N 3.11Å
3	E	34.3	Very low	34.1	Very low	188 Å²	188	138.4 Å²	138.4	88%	0.879	73%	0.73	S	S	*	*			trans	-65.8	104.2	172.5	-73.6	177.1	151.4	0	0	109.2	M1 K5	M1-E3 PolarHBondContact O-N 3.09Å; E3-K5 PolarHBondContact O-N 3.42Å; E3-K5 VanDerWaalsContact O-N 3.13Å
4	A	35	Very low	34	Very low	80 Å²	80	136.3 Å²	136.3	66%	0.661	73%	0.725	S	S	*	*			trans	-68.9	103.4	167.4	0	0	0	0	0	108.5	Q2 F6	Q2-A4 PolarHBondContact O-N 3.2Å; Q2-A4 VanDerWaalsContact O-N 3.11Å; A4-F6 HydrophobicContact CB-CD2 4.5Å; A4-F6 HydrophobicContact CB-CE2 4.43Å; A4-F6 PolarHBondContact O-N 3.05Å
5	K	31.5	Very low	33.9	Very low	185 Å²	185	132.4 Å²	132.4	80%	0.804	72%	0.72	S	S	*	*			trans	-67.6	96.6	168.8	-78.1	-178.5	177.5	176.2	0	108.8	E3 F7	E3-K5 PolarHBondContact O-N 3.42Å; E3-K5 VanDerWaalsContact O-N 3.13Å; K5-F7 PolarHBondContact O-N 3.27Å
6	F	32.2	Very low	33.7	Very low	196 Å²	196	129.1 Å²	129.1	86%	0.86	71%	0.71	S	S	*	*			trans	-70.2	107.3	163.6	-86.7	-92.3	0	0	0	108.6	A4 A8	A4-F6 HydrophobicContact CB-CD2 4.5Å; A4-F6 HydrophobicContact CB-CE2 4.43Å; A4-F6 PolarHBondContact O-N 3.05Å; F6-A8 PolarHBondContact O-N 3.07Å
7	F	32.3	Very low	33.3	Very low	175 Å²	175	132.5 Å²	132.5	77%	0.768	72%	0.719	S	S	*	*			trans	-69	119.8	165.2	-83.2	-92.3	0	0	0	108.5	K5	K5-F7 PolarHBondContact O-N 3.27Å
8	A	32.2	Very low	33.2	Very low	100 Å²	100	138.5 Å²	138.5	83%	0.826	73%	0.729	S	S	*	*			trans	-85.2	112.2	176.3	0	0	0	0	0	109.7	F6 S10	F6-A8 PolarHBondContact O-N 3.07Å; A8-S10 PolarHBondContact O-N 3.42Å
9	V	37.1	Very low	33	Very low	53 Å²	53	136.9 Å²	136.9	32%	0.321	73%	0.731	S	S	.	*			trans	-72	123.4	168.2	178.1	0	0	0	0	108.8	E245	V9-E245 WeakPolarHBondContact CG2-OE2 3.48Å
10	S	32.6	Very low	32.9	Very low	90 Å²	90	141.3 Å²	141.3	63%	0.629	74%	0.743	S	S	*	*			trans	-93.1	107	177	-155.6	0	0	0	0	109.6	A8 C12	A8-S10 PolarHBondContact O-N 3.42Å; S10-C12 PolarHBondContact O-N 3.06Å
11	I	35.2	Very low	33	Very low	109 Å²	109	137.2 Å²	137.2	56%	0.559	74%	0.735	S	S	*	*			trans	-79.8	114.4	172.2	-61.1	172.2	0	0	0	107.8
12	C	33.3	Very low	33	Very low	74 Å²	74	135.9 Å²	135.9	50%	0.5	72%	0.723	S	S	.	*			trans	-109.8	101.8	176.1	-153.9	0	0	0	0	109.7	S10 V14	S10-C12 PolarHBondContact O-N 3.06Å; C12-V14 PolarHBondContact O-N 2.86Å
13	L	34.3	Very low	33.1	Very low	107 Å²	107	130.2 Å²	130.2	56%	0.56	72%	0.718	S	S	*	*			trans	-77.4	105.5	169.4	-79.4	158.3	0	0	0	108.8	A15 E28	L13-A15 PolarHBondContact O-N 2.78Å; L13-E28 HydrophobicContact CD2-CB 4.48Å
14	V	33.7	Very low	33.4	Very low	109 Å²	109	128.9 Å²	128.9	66%	0.661	71%	0.712	S	S	*	*			trans	-88.4	95.5	174.2	-177.9	0	0	0	0	108.9	C12	C12-V14 PolarHBondContact O-N 2.86Å
15	A	32	Very low	33.9	Very low	78 Å²	78	131.9 Å²	131.9	65%	0.645	72%	0.721	S	S	*	*			trans	-85.8	107.4	170.6	0	0	0	0	0	110.1	L13	L13-A15 PolarHBondContact O-N 2.78Å
16	S	30.1	Very low	34.5	Very low	79 Å²	79	128.5 Å²	128.5	55%	0.552	71%	0.71	S	S	*	*			trans	-77.5	129.7	173.1	59.7	0	0	0	0	111.1	W18	S16-W18 PolarHBondContact O-N 3.07Å
17	H	27.6	Very low	35.6	Very low	187 Å²	187	121.5 Å²	121.5	87%	0.866	69%	0.685	S	S	*	*			trans	-73.5	103.8	-179.1	-102.6	64.2	0	0	0	111.9
18	W	31.8	Very low	37.8	Very low	241 Å²	241	118.9 Å²	118.9	91%	0.913	68%	0.675	S	S	*	*			trans	-137	143.4	161.8	-79.1	91.2	0	0	0	111.4	S16	S16-W18 PolarHBondContact O-N 3.07Å
19	S	29.8	Very low	40.6	Very low	109 Å²	109	116.9 Å²	116.9	76%	0.762	65%	0.648	S	S	*	*			trans	-75.3	124.8	-164.7	66.5	0	0	0	0	114.2	G21	S19-G21 PolarHBondContact O-N 3.21Å; S19-G21 VanDerWaalsContact O-N 3.08Å
20	K	30.6	Very low	43.5	Very low	223 Å²	223	117.4 Å²	117.4	97%	0.97	65%	0.647	S	S	*	*			trans	8.9	78.7	153.8	-65.6	-176.5	178	179	0	117.2
21	G	34.8	Very low	46.6	Very low	56 Å²	56	113.7 Å²	113.7	58%	0.577	62%	0.621	S	S	*	*			trans	-107.1	139.9	155.3	0	0	0	0	0	109.9	S19 G23	S19-G21 PolarHBondContact O-N 3.21Å; S19-G21 VanDerWaalsContact O-N 3.08Å; G21-G23 PolarHBondContact O-N 2.75Å
22	K	37.4	Very low	49.6	Very low	216 Å²	216	108.9 Å²	108.9	94%	0.939	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	124.3	-176.3	-70.3	172.7	175	176.1	0	111.6
23	G	37.4	Very low	52.8	Low	80 Å²	80	110.4 Å²	110.4	83%	0.825	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.1	13.3	154.8	0	0	0	0	0	117.7	G21 V25	G21-G23 PolarHBondContact O-N 2.75Å; G23-V25 PolarHBondContact O-N 2.93Å
24	E	40.8	Very low	55.8	Low	160 Å²	160	107.3 Å²	107.3	75%	0.748	58%	0.579	S	S	*	*			trans	-79.8	116.4	173.8	-76.5	-179.4	161.5	0	0	110.4	M26	E24-M26 PolarHBondContact O-N 3.09Å
25	V	44.6	Very low	58.9	Low	143 Å²	143	105.8 Å²	105.8	87%	0.867	57%	0.57	S	S	*	*			trans	-61.8	88	162.7	-179.3	0	0	0	0	106.6	G23 S27	G23-V25 PolarHBondContact O-N 2.93Å; V25-S27 PolarHBondContact O-N 3.21Å
26	M	44.5	Very low	62	Low	114 Å²	114	102.4 Å²	102.4	56%	0.562	54%	0.541	S	S	*	.			trans	-55.3	110.4	169.3	-71.4	-98	-72.1	0	0	106.4	E24 E28	E24-M26 PolarHBondContact O-N 3.09Å; M26-E28 VanDerWaalsContact C-N 3.32Å; M26-E28 PolarHBondContact O-N 3.14Å
27	S	55.8	Low	65	Low	49 Å²	49	99.7 Å²	99.7	34%	0.343	53%	0.526	S	S	.	.			trans	-71.4	98.6	170.4	63.9	0	0	0	0	107.2	V25 K29 G46 K50	V25-S27 PolarHBondContact O-N 3.21Å; S27-K29 VanDerWaalsContact C-N 3.31Å; S27-K29 PolarHBondContact O-N 2.95Å; S27-G46 WeakPolarHBondContact CB-O 3.33Å; S27-K50 PolarHBondContact OG-NZ 3.24Å
28	E	77.5	Confident	68.2	Low	120 Å²	120	94.4 Å²	94.4	56%	0.561	52%	0.521	S	S	*	.			trans	-68.4	97.6	170.8	-69.4	-171.8	174.7	0	0	107.4	L13 M26 Q30	L13-E28 HydrophobicContact CD2-CB 4.48Å; M26-E28 VanDerWaalsContact C-N 3.32Å; M26-E28 PolarHBondContact O-N 3.14Å; E28-Q30 PolarHBondContact O-N 3.05Å
29	K	92.6	Very high	71.3	Confident	57 Å²	57	84.5 Å²	84.5	25%	0.248	48%	0.484	C	S	.	.			trans	-54.5	121.1	168.3	170.3	-177.7	167.4	164.3	0	107.5	S27 V31 E44 I45 Q47	S27-K29 VanDerWaalsContact C-N 3.31Å; S27-K29 PolarHBondContact O-N 2.95Å; K29-V31 HydrophobicContact CD-CG2 4.31Å; K29-V31 HydrophobicContact CG-CG2 4.07Å; K29-E44 WeakPolarHBondContact CE-OE2 3.38Å; K29-E44 IonicContact NZ-OE1 2.9Å; K29-E44 PolarHBondContact NZ-OE1 2.86Å; K29-E44 IonicContact NZ-OE2 2.65Å; K29-E44 PolarHBondContact NZ-OE2 2.85Å; K29-I45 WeakPolarHBondContact CA-O 3.04Å; K29-Q47 HydrophobicContact CB-CB 4.33Å; K29-Q47 HydrophobicContact CG-CB 4.45Å
30	Q	97.1	Very high	74.6	Confident	65 Å²	65	83.3 Å²	83.3	30%	0.304	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	140.4	172.9	-62	-169.7	45.4	0	0	109.7	E28 F32 E44 I45 V250	E28-Q30 PolarHBondContact O-N 3.05Å; Q30-F32 HydrophobicContact CB-CE2 3.85Å; Q30-F32 HydrophobicContact CB-CZ 4.35Å; Q30-E44 WeakPolarHBondContact O-CA 3.31Å; Q30-I45 PolarHBondContact N-O 3.36Å; Q30-I45 PolarHBondContact O-N 2.83Å; Q30-V250 VanDerWaalsContact CD-CG1 3.41Å
31	V	98.3	Very high	77.8	Confident	12 Å²	12	72.8 Å²	72.8	7%	0.073	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.1	-175.9	-175.2	0	0	0	0	109.3	K29 K33 Q42 V43 E44	K29-V31 HydrophobicContact CD-CG2 4.31Å; K29-V31 HydrophobicContact CG-CG2 4.07Å; V31-K33 HydrophobicContact CG1-CG 4.26Å; V31-Q42 HydrophobicContact CG1-CG 3.52Å; V31-V43 WeakPolarHBondContact CA-O 3.49Å; V31-E44 HydrophobicContact CG2-CG 4.44Å
32	F	98.6	Very high	80.9	Confident	8 Å²	8	72.1 Å²	72.1	4%	0.035	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.9	176.1	-57.5	-93.2	0	0	0	109	Q30 Q42 V43 I45 F242 I246 A249 V250	Q30-F32 HydrophobicContact CB-CE2 3.85Å; Q30-F32 HydrophobicContact CB-CZ 4.35Å; F32-Q42 CarbonylContact O-C 3.58Å; F32-Q42 WeakPolarHBondContact O-CA 3.44Å; F32-V43 HydrophobicContact CB-CB 4.49Å; F32-V43 PolarHBondContact N-O 3.03Å; F32-V43 PolarHBondContact O-N 3.49Å; F32-I45 HydrophobicContact CD2-CD1 4.5Å; F32-I45 HydrophobicContact CE2-CD1 4.32Å; F32-F242 HydrophobicContact CB-CE2 4.17Å; F32-F242 HydrophobicContact CB-CZ 3.82Å; F32-I246 HydrophobicContact CB-CD1 3.87Å; F32-I246 HydrophobicContact CB-CG1 3.9Å; F32-I246 HydrophobicContact CD1-CG1 3.83Å; F32-I246 HydrophobicContact CD2-CD1 4.38Å; F32-I246 HydrophobicContact CD2-CG1 4.04Å; F32-I246 HydrophobicContact CD2-CG2 4.05Å; F32-I246 HydrophobicContact CE1-CG1 4.37Å; F32-I246 HydrophobicContact CE2-CG2 3.98Å; F32-I246 HydrophobicContact CG-CD1 4.09Å; F32-I246 HydrophobicContact CG-CG1 3.65Å; F32-I246 HydrophobicContact CZ-CG2 4.36Å; F32-A249 HydrophobicContact CE1-CB 3.87Å; F32-A249 HydrophobicContact CZ-CB 3.77Å; F32-V250 HydrophobicContact CE2-CG1 4.27Å; F32-V250 HydrophobicContact CZ-CG1 4.05Å
33	K	98.6	Very high	83.8	Confident	105 Å²	105	61.9 Å²	61.9	46%	0.457	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.2	-175.1	-58.5	-171.7	-174.5	-156.6	0	111.5	V31 L41 Q42	V31-K33 HydrophobicContact CG1-CG 4.26Å; K33-L41 WeakPolarHBondContact CA-O 3.32Å; K33-Q42 HydrophobicContact CG-CB 4.32Å; K33-Q42 HydrophobicContact CG-CG 4.2Å; K33-Q42 VanDerWaalsContact NZ-OE1 3.14Å
34	T	98.2	Very high	86.7	Confident	42 Å²	42	58.5 Å²	58.5	26%	0.258	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	-169.2	171.1	-167.1	0	0	0	0	109.7	L41 M239 F242	T34-L41 HydrophobicContact CG2-CB 3.96Å; T34-L41 HydrophobicContact CG2-CD2 3.85Å; T34-L41 HydrophobicContact CG2-CG 4.33Å; T34-L41 PolarHBondContact N-O 2.79Å; T34-L41 PolarHBondContact O-N 3.43Å; T34-M239 HydrophobicContact CG2-CE 4.42Å; T34-M239 HydrophobicContact CG2-SD 4.45Å; T34-F242 HydrophobicContact CG2-CD1 3.53Å; T34-F242 HydrophobicContact CG2-CD2 4.16Å; T34-F242 HydrophobicContact CG2-CE1 3.47Å; T34-F242 VanDerWaalsContact CG2-CE1 3.47Å; T34-F242 HydrophobicContact CG2-CE2 4.11Å; T34-F242 HydrophobicContact CG2-CG 3.88Å; T34-F242 HydrophobicContact CG2-CZ 3.77Å
35	T	98.1	Very high	89.5	Confident	78 Å²	78	51.7 Å²	51.7	48%	0.479	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.9	168.9	54	0	0	0	0	110.7	R39	T35-R39 CarbonylContact C-O 3.57Å; T35-R39 VanDerWaalsContact CA-O 3.27Å; T35-R39 WeakPolarHBondContact CA-O 3.41Å
36	W	97.3	Very high	91.9	Very high	6 Å²	6	46.6 Å²	46.6	2%	0.023	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	117.7	179.6	-170.9	29.4	0	0	0	109.6	G38 R39 L41 Y60 M152 F156 G175 M239	W36-G38 PolarHBondContact O-N 2.88Å; W36-R39 PolarHBondContact N-O 3.08Å; W36-R39 PolarHBondContact O-N 3.14Å; W36-R39 VanDerWaalsContact O-N 3.11Å; W36-L41 HydrophobicContact CB-CB 4.2Å; W36-L41 HydrophobicContact CB-CD2 4.32Å; W36-L41 HydrophobicContact CE3-CD1 4Å; W36-L41 HydrophobicContact CE3-CD2 4.26Å; W36-L41 HydrophobicContact CZ3-CD1 4.34Å; W36-Y60 HydrophobicContact CB-CD2 4.45Å; W36-Y60 HydrophobicContact CB-CE2 3.89Å; W36-Y60 HydrophobicContact CD2-CE2 4.4Å; W36-Y60 AromaticContact CE3-CD1 3.85Å; W36-Y60 HydrophobicContact CE3-CD1 3.85Å; W36-Y60 AromaticContact CE3-CD2 3.86Å; W36-Y60 HydrophobicContact CE3-CD2 3.86Å; W36-Y60 AromaticContact CE3-CE1 3.92Å; W36-Y60 HydrophobicContact CE3-CE1 3.92Å; W36-Y60 AromaticContact CE3-CE2 3.94Å; W36-Y60 HydrophobicContact CE3-CE2 3.94Å; W36-Y60 AromaticContact CE3-CG 3.83Å; W36-Y60 HydrophobicContact CE3-CG 3.83Å; W36-Y60 AromaticContact CE3-CZ 3.96Å; W36-Y60 HydrophobicContact CG-CE2 4.4Å; W36-Y60 HydrophobicContact CZ3-CD1 4.04Å; W36-Y60 HydrophobicContact CZ3-CE1 4.36Å; W36-Y60 HydrophobicContact CZ3-CG 4.22Å; W36-Y60 WeakPolarHBondContact O-CE2 3.3Å; W36-Y60 PolarHBondContact O-OH 3.26Å; W36-M152 HydrophobicContact CH2-CB 3.55Å; W36-M152 WeakPolarHBondContact CH2-O 3.4Å; W36-M152 HydrophobicContact CZ2-CB 4.12Å; W36-M152 HydrophobicContact CZ3-CB 4.07Å; W36-F156 HydrophobicContact CH2-CB 3.85Å; W36-F156 HydrophobicContact CH2-CG 4.48Å; W36-F156 HydrophobicContact CZ3-CB 4.39Å; W36-G175 WeakPolarHBondContact CZ2-O 3.34Å; W36-M239 HydrophobicContact CB-SD 4.1Å; W36-M239 VanDerWaalsContact CD1-SD 3.58Å; W36-M239 HydrophobicContact CD2-SD 4.49Å; W36-M239 HydrophobicContact CG-CG 4.37Å; W36-M239 HydrophobicContact CG-SD 3.85Å
37	G	93.9	Very high	94.3	Very high	23 Å²	23	45.7 Å²	45.7	24%	0.237	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	41.5	-171.8	0	0	0	0	0	112.8	R39	G37-R39 PolarHBondContact O-N 2.84Å; G37-R39 PolarHBondContact O-NE 2.85Å
38	G	94.7	Very high	96.3	Very high	75 Å²	75	46.9 Å²	46.9	77%	0.773	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	-0.2	-179.4	0	0	0	0	0	116.2	W36	W36-G38 PolarHBondContact O-N 2.88Å
39	R	97.4	Very high	97.2	Very high	33 Å²	33	43.2 Å²	43.2	13%	0.125	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	152	-174.1	-70.5	170.8	-70.8	144.7	-22.3	111.8	T35 W36 G37 L41 Y60 D147 C148 N188	T35-R39 CarbonylContact C-O 3.57Å; T35-R39 VanDerWaalsContact CA-O 3.27Å; T35-R39 WeakPolarHBondContact CA-O 3.41Å; W36-R39 PolarHBondContact N-O 3.08Å; W36-R39 PolarHBondContact O-N 3.14Å; W36-R39 VanDerWaalsContact O-N 3.11Å; G37-R39 PolarHBondContact O-N 2.84Å; G37-R39 PolarHBondContact O-NE 2.85Å; R39-L41 PolarHBondContact O-N 3.3Å; R39-Y60 HydrophobicContact CB-CE2 3.71Å; R39-Y60 PolarHBondContact NE-OH 3.18Å; R39-Y60 PolarHBondContact NH1-OH 3.4Å; R39-Y60 PolarHBondContact NH2-OH 3.03Å; R39-D147 VanDerWaalsContact CZ-O 3.23Å; R39-D147 PolarHBondContact NH1-O 3.26Å; R39-D147 PolarHBondContact NH2-O 3.28Å; R39-C148 PolarHBondContact NH1-SG 3.14Å; R39-N188 VanDerWaalsContact NH2-CB 3.26Å; R39-N188 PolarHBondContact NH2-O 2.94Å
40	P	98.3	Very high	97.3	Very high	85 Å²	85	46.6 Å²	46.6	55%	0.552	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	132.6	-173.1	27.1	-34	0	0	0	111.7	G61	P40-G61 PolarHBondContact O-N 2.91Å
41	L	98.7	Very high	97.3	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.9	171.1	-177.6	68.5	0	0	0	108.9	K33 T34 W36 R39 V58 R59 Y60 F156 M239 F242	K33-L41 WeakPolarHBondContact CA-O 3.32Å; T34-L41 HydrophobicContact CG2-CB 3.96Å; T34-L41 HydrophobicContact CG2-CD2 3.85Å; T34-L41 HydrophobicContact CG2-CG 4.33Å; T34-L41 PolarHBondContact N-O 2.79Å; T34-L41 PolarHBondContact O-N 3.43Å; W36-L41 HydrophobicContact CB-CB 4.2Å; W36-L41 HydrophobicContact CB-CD2 4.32Å; W36-L41 HydrophobicContact CE3-CD1 4Å; W36-L41 HydrophobicContact CE3-CD2 4.26Å; W36-L41 HydrophobicContact CZ3-CD1 4.34Å; R39-L41 PolarHBondContact O-N 3.3Å; L41-V58 HydrophobicContact CD1-CG1 3.66Å; L41-R59 CarbonylContact C-O 3.56Å; L41-R59 WeakPolarHBondContact CA-O 3.38Å; L41-Y60 HydrophobicContact CD1-CD2 4.33Å; L41-Y60 HydrophobicContact CD1-CG 4.44Å; L41-F156 HydrophobicContact CD2-CD2 4.46Å; L41-F156 HydrophobicContact CD2-CE1 4.28Å; L41-F156 HydrophobicContact CD2-CE2 4.05Å; L41-F156 HydrophobicContact CD2-CZ 3.96Å; L41-M239 HydrophobicContact CD2-SD 4.31Å; L41-F242 HydrophobicContact CD2-CD1 4.44Å; L41-F242 HydrophobicContact CD2-CE1 4.2Å
42	Q	98.7	Very high	97.3	Very high	42 Å²	42	52.8 Å²	52.8	20%	0.196	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132	175.5	174.6	177.5	-58.6	0	0	110.4	V31 F32 K33 E44 R59	V31-Q42 HydrophobicContact CG1-CG 3.52Å; F32-Q42 CarbonylContact O-C 3.58Å; F32-Q42 WeakPolarHBondContact O-CA 3.44Å; K33-Q42 HydrophobicContact CG-CB 4.32Å; K33-Q42 HydrophobicContact CG-CG 4.2Å; K33-Q42 VanDerWaalsContact NZ-OE1 3.14Å; Q42-E44 HydrophobicContact CG-CG 4.36Å; Q42-E44 PolarHBondContact NE2-OE1 2.77Å; Q42-R59 HydrophobicContact CB-CB 4.2Å; Q42-R59 PolarHBondContact N-O 3.14Å; Q42-R59 PolarHBondContact O-N 3.01Å
43	V	98.8	Very high	97.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.7	176.4	-175.6	0	0	0	0	109	V31 F32 I45 V56 F156 L160 F242 I246	V31-V43 WeakPolarHBondContact CA-O 3.49Å; F32-V43 HydrophobicContact CB-CB 4.49Å; F32-V43 PolarHBondContact N-O 3.03Å; F32-V43 PolarHBondContact O-N 3.49Å; V43-I45 HydrophobicContact CG1-CD1 4.06Å; V43-I45 HydrophobicContact CG1-CG1 3.96Å; V43-V56 HydrophobicContact CG1-CB 4.11Å; V43-V56 HydrophobicContact CG1-CG1 4.33Å; V43-F156 HydrophobicContact CG2-CE1 3.64Å; V43-F156 HydrophobicContact CG2-CZ 4.22Å; V43-L160 HydrophobicContact CB-CD2 4.48Å; V43-L160 HydrophobicContact CG1-CD2 3.62Å; V43-L160 HydrophobicContact CG2-CD2 4.21Å; V43-F242 HydrophobicContact CG2-CE1 4.09Å; V43-I246 HydrophobicContact CB-CD1 4.17Å; V43-I246 HydrophobicContact CG1-CD1 4.39Å; V43-I246 HydrophobicContact CG2-CD1 4.04Å
44	E	98.5	Very high	97.3	Very high	10 Å²	10	49.1 Å²	49.1	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.4	176.2	-44.6	178.6	172.6	0	0	111.1	K29 Q30 V31 Q42 L57 R59	K29-E44 WeakPolarHBondContact CE-OE2 3.38Å; K29-E44 IonicContact NZ-OE1 2.9Å; K29-E44 PolarHBondContact NZ-OE1 2.86Å; K29-E44 IonicContact NZ-OE2 2.65Å; K29-E44 PolarHBondContact NZ-OE2 2.85Å; Q30-E44 WeakPolarHBondContact O-CA 3.31Å; V31-E44 HydrophobicContact CG2-CG 4.44Å; Q42-E44 HydrophobicContact CG-CG 4.36Å; Q42-E44 PolarHBondContact NE2-OE1 2.77Å; E44-L57 HydrophobicContact CB-CB 4.17Å; E44-L57 PolarHBondContact N-O 3.34Å; E44-L57 PolarHBondContact O-N 3.27Å; E44-L57 WeakPolarHBondContact OE2-CD2 3.27Å; E44-R59 IonicContact OE1-CZ 3.31Å; E44-R59 IonicContact OE1-NE 3.28Å; E44-R59 PolarHBondContact OE1-NE 3.15Å; E44-R59 IonicContact OE1-NH2 3.38Å
45	I	98.3	Very high	97.3	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.087	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.7	-174.2	-53.2	-177.5	0	0	0	109.8	K29 Q30 F32 V43 V56 I164 I246 V250	K29-I45 WeakPolarHBondContact CA-O 3.04Å; Q30-I45 PolarHBondContact N-O 3.36Å; Q30-I45 PolarHBondContact O-N 2.83Å; F32-I45 HydrophobicContact CD2-CD1 4.5Å; F32-I45 HydrophobicContact CE2-CD1 4.32Å; V43-I45 HydrophobicContact CG1-CD1 4.06Å; V43-I45 HydrophobicContact CG1-CG1 3.96Å; I45-V56 HydrophobicContact CD1-CG1 3.91Å; I45-V56 HydrophobicContact CG1-CB 4.48Å; I45-V56 HydrophobicContact CG1-CG1 3.9Å; I45-I164 HydrophobicContact CD1-CD1 3.94Å; I45-I164 HydrophobicContact CG1-CD1 4.48Å; I45-I164 HydrophobicContact CG2-CD1 3.85Å; I45-I246 HydrophobicContact CD1-CG2 3.45Å; I45-I246 VanDerWaalsContact CD1-CG2 3.45Å; I45-V250 HydrophobicContact CD1-CG2 3.75Å; I45-V250 HydrophobicContact CG2-CG2 4.31Å
46	G	94.9	Very high	97.3	Very high	36 Å²	36	44 Å²	44	37%	0.371	26%	0.262	S	S	.	.	S	Bend	trans	92.9	-10.1	171	0	0	0	0	0	115.8	S27 K50	S27-G46 WeakPolarHBondContact CB-O 3.33Å; G46-K50 WeakPolarHBondContact O-CE 3.4Å
47	Q	96	Very high	97.4	Very high	95 Å²	95	44.2 Å²	44.2	44%	0.444	26%	0.263	S	S	.	.	S	Bend	trans	-91.4	-38.3	179	-170.2	176.8	36	0	0	113.8	K29 K50	K29-Q47 HydrophobicContact CB-CB 4.33Å; K29-Q47 HydrophobicContact CG-CB 4.45Å; Q47-K50 VanDerWaalsContact O-CE 3.24Å; Q47-K50 WeakPolarHBondContact O-CE 3.5Å
48	L	96.9	Very high	97.6	Very high	73 Å²	73	43.1 Å²	43.1	38%	0.382	25%	0.252	S	S	.	.	S	Bend	trans	-115.9	157.3	-169.8	-57.9	178.7	0	0	0	111.6	K50 L57 L66	L48-K50 VanDerWaalsContact C-N 3.25Å; L48-K50 PolarHBondContact O-N 3.11Å; L48-K50 VanDerWaalsContact O-N 3.14Å; L48-L57 HydrophobicContact CD1-CB 4.32Å; L48-L57 HydrophobicContact CD1-CD1 3.96Å; L48-L57 HydrophobicContact CD1-CD2 4Å; L48-L57 HydrophobicContact CD1-CG 4.33Å; L48-L66 HydrophobicContact CB-CD1 4.05Å; L48-L66 HydrophobicContact CD1-CD1 4.34Å
49	A	97.1	Very high	97.8	Very high	43 Å²	43	43.7 Å²	43.7	36%	0.355	23%	0.231	S	C	.	.			trans	48.9	39.3	176.4	0	0	0	0	0	115.1	Q51 A52 A55 A68	A49-Q51 PolarHBondContact O-N 3.31Å; A49-A52 VanDerWaalsContact O-CB 3.31Å; A49-A52 WeakPolarHBondContact O-CB 3.13Å; A49-A52 PolarHBondContact O-N 3.03Å; A49-A55 HydrophobicContact CB-CB 3.69Å; A49-A68 HydrophobicContact CB-CB 4.16Å
50	K	94.9	Very high	97.9	Very high	129 Å²	129	42.1 Å²	42.1	56%	0.561	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.9	-171.5	-61.7	-179.8	177.7	-180	0	116.3	S27 G46 Q47 L48	S27-K50 PolarHBondContact OG-NZ 3.24Å; G46-K50 WeakPolarHBondContact O-CE 3.4Å; Q47-K50 VanDerWaalsContact O-CE 3.24Å; Q47-K50 WeakPolarHBondContact O-CE 3.5Å; L48-K50 VanDerWaalsContact C-N 3.25Å; L48-K50 PolarHBondContact O-N 3.11Å; L48-K50 VanDerWaalsContact O-N 3.14Å
51	Q	96.6	Very high	97.9	Very high	191 Å²	191	38.9 Å²	38.9	89%	0.893	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-8.8	177.6	-65.8	-66.9	-36.5	0	0	112.8	A49	A49-Q51 PolarHBondContact O-N 3.31Å
52	A	98.3	Very high	97.8	Very high	15 Å²	15	44.4 Å²	44.4	12%	0.124	24%	0.237	C	C	.	.	S	Bend	trans	-75.3	155.4	174.6	0	0	0	0	0	111.2	A49 G54 A55 A68 V70	A49-A52 VanDerWaalsContact O-CB 3.31Å; A49-A52 WeakPolarHBondContact O-CB 3.13Å; A49-A52 PolarHBondContact O-N 3.03Å; A52-G54 VanDerWaalsContact C-N 3.26Å; A52-G54 PolarHBondContact O-N 3.32Å; A52-A55 HydrophobicContact CB-CB 4.41Å; A52-A68 HydrophobicContact CB-CB 4.16Å; A52-V70 HydrophobicContact CB-CG1 3.98Å
53	N	98.4	Very high	97.8	Very high	32 Å²	32	42.4 Å²	42.4	17%	0.171	23%	0.228	C	C	.	.	S	Bend	trans	-59.4	-41	172.5	-70.9	91.6	0	0	0	110.6	A69 V70 A71 S165 D166 I167 K252	N53-A69 WeakPolarHBondContact CB-O 3.44Å; N53-A69 PolarHBondContact N-O 3.25Å; N53-V70 VanDerWaalsContact OD1-CA 3.28Å; N53-V70 WeakPolarHBondContact OD1-CA 3.38Å; N53-A71 PolarHBondContact OD1-N 3.37Å; N53-S165 VanDerWaalsContact C-CB 3.43Å; N53-S165 WeakPolarHBondContact O-CA 3.4Å; N53-S165 WeakPolarHBondContact O-CB 3.39Å; N53-D166 WeakPolarHBondContact CB-OD1 3.48Å; N53-D166 PolarHBondContact ND2-OD1 3.29Å; N53-D166 PolarHBondContact ND2-OD2 3.21Å; N53-I167 HydrophobicContact CB-CD1 3.77Å; N53-I167 HydrophobicContact CB-CG1 3.85Å; N53-K252 WeakPolarHBondContact O-CE 3.41Å; N53-K252 PolarHBondContact O-NZ 3.09Å
54	G	98.5	Very high	97.8	Very high	4 Å²	4	43 Å²	43	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.3	168.9	0	0	0	0	0	111.6	A52 A68 A69 A161	A52-G54 VanDerWaalsContact C-N 3.26Å; A52-G54 PolarHBondContact O-N 3.32Å; G54-A68 WeakPolarHBondContact O-CA 3.47Å; G54-A69 PolarHBondContact N-O 2.85Å; G54-A69 PolarHBondContact O-N 2.85Å; G54-A161 WeakPolarHBondContact CA-O 3.38Å
55	A	98.8	Very high	97.8	Very high	12 Å²	12	42.6 Å²	42.6	10%	0.099	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	140.2	177	0	0	0	0	0	112.1	A49 A52 S67 A68	A49-A55 HydrophobicContact CB-CB 3.69Å; A52-A55 HydrophobicContact CB-CB 4.41Å; A55-S67 CarbonylContact C-O 3.51Å; A55-S67 VanDerWaalsContact CA-O 3.24Å; A55-S67 WeakPolarHBondContact CA-O 3.39Å; A55-A68 HydrophobicContact CB-CB 4.24Å
56	V	98.8	Very high	97.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.6	177.6	-57.8	0	0	0	0	110.8	V43 I45 V58 S67 G157 L160 A161 I164	V43-V56 HydrophobicContact CG1-CB 4.11Å; V43-V56 HydrophobicContact CG1-CG1 4.33Å; I45-V56 HydrophobicContact CD1-CG1 3.91Å; I45-V56 HydrophobicContact CG1-CB 4.48Å; I45-V56 HydrophobicContact CG1-CG1 3.9Å; V56-V58 HydrophobicContact CG2-CG2 3.95Å; V56-S67 PolarHBondContact N-O 3.02Å; V56-S67 PolarHBondContact O-N 3.19Å; V56-G157 WeakPolarHBondContact CG2-O 3.47Å; V56-L160 HydrophobicContact CG1-CB 4.47Å; V56-L160 HydrophobicContact CG1-CD2 4.08Å; V56-L160 HydrophobicContact CG1-CG 3.97Å; V56-A161 HydrophobicContact CG2-CB 4.32Å; V56-I164 HydrophobicContact CG1-CD1 3.5Å; V56-I164 VanDerWaalsContact CG1-CD1 3.5Å
57	L	98.8	Very high	98.1	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.5	165.7	-170.7	76.6	0	0	0	108.2	E44 L48 V64 L66 M142	E44-L57 HydrophobicContact CB-CB 4.17Å; E44-L57 PolarHBondContact N-O 3.34Å; E44-L57 PolarHBondContact O-N 3.27Å; E44-L57 WeakPolarHBondContact OE2-CD2 3.27Å; L48-L57 HydrophobicContact CD1-CB 4.32Å; L48-L57 HydrophobicContact CD1-CD1 3.96Å; L48-L57 HydrophobicContact CD1-CD2 4Å; L48-L57 HydrophobicContact CD1-CG 4.33Å; L57-V64 HydrophobicContact CD1-CG1 3.59Å; L57-V64 HydrophobicContact CD2-CG1 4.22Å; L57-V64 HydrophobicContact CG-CG1 3.91Å; L57-L66 HydrophobicContact CD1-CB 3.85Å; L57-L66 HydrophobicContact CD1-CD1 4.31Å; L57-M142 HydrophobicContact CD1-SD 4.38Å
58	V	98.9	Very high	98.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.6	177.8	-175.7	0	0	0	0	108.7	L41 V56 V64 V65 A153 F156	L41-V58 HydrophobicContact CD1-CG1 3.66Å; V56-V58 HydrophobicContact CG2-CG2 3.95Å; V58-V64 WeakPolarHBondContact O-CA 3.39Å; V58-V65 PolarHBondContact N-O 3.49Å; V58-V65 PolarHBondContact O-N 2.99Å; V58-A153 HydrophobicContact CG1-CB 4.07Å; V58-F156 HydrophobicContact CG1-CD1 4.24Å; V58-F156 HydrophobicContact CG2-CD1 4.05Å
59	R	98.7	Very high	98.3	Very high	86 Å²	86	33.9 Å²	33.9	33%	0.325	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	109.5	169.7	-54.8	-177	173.1	-81.8	-8	108.4	L41 Q42 E44 T63 V64	L41-R59 CarbonylContact C-O 3.56Å; L41-R59 WeakPolarHBondContact CA-O 3.38Å; Q42-R59 HydrophobicContact CB-CB 4.2Å; Q42-R59 PolarHBondContact N-O 3.14Å; Q42-R59 PolarHBondContact O-N 3.01Å; E44-R59 IonicContact OE1-CZ 3.31Å; E44-R59 IonicContact OE1-NE 3.28Å; E44-R59 PolarHBondContact OE1-NE 3.15Å; E44-R59 IonicContact OE1-NH2 3.38Å; R59-T63 CarbonylContact C-O 3.59Å; R59-T63 VanDerWaalsContact CA-O 3.28Å; R59-T63 WeakPolarHBondContact CA-O 3.44Å; R59-V64 HydrophobicContact CG-CG2 4.18Å
60	Y	98.6	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	105.9	172.4	-178.3	-146.6	0	0	0	107.7	W36 R39 L41 D62 T63 C148 N188	W36-Y60 HydrophobicContact CB-CD2 4.45Å; W36-Y60 HydrophobicContact CB-CE2 3.89Å; W36-Y60 HydrophobicContact CD2-CE2 4.4Å; W36-Y60 AromaticContact CE3-CD1 3.85Å; W36-Y60 HydrophobicContact CE3-CD1 3.85Å; W36-Y60 AromaticContact CE3-CD2 3.86Å; W36-Y60 HydrophobicContact CE3-CD2 3.86Å; W36-Y60 AromaticContact CE3-CE1 3.92Å; W36-Y60 HydrophobicContact CE3-CE1 3.92Å; W36-Y60 AromaticContact CE3-CE2 3.94Å; W36-Y60 HydrophobicContact CE3-CE2 3.94Å; W36-Y60 AromaticContact CE3-CG 3.83Å; W36-Y60 HydrophobicContact CE3-CG 3.83Å; W36-Y60 AromaticContact CE3-CZ 3.96Å; W36-Y60 HydrophobicContact CG-CE2 4.4Å; W36-Y60 HydrophobicContact CZ3-CD1 4.04Å; W36-Y60 HydrophobicContact CZ3-CE1 4.36Å; W36-Y60 HydrophobicContact CZ3-CG 4.22Å; W36-Y60 WeakPolarHBondContact O-CE2 3.3Å; W36-Y60 PolarHBondContact O-OH 3.26Å; R39-Y60 HydrophobicContact CB-CE2 3.71Å; R39-Y60 PolarHBondContact NE-OH 3.18Å; R39-Y60 PolarHBondContact NH1-OH 3.4Å; R39-Y60 PolarHBondContact NH2-OH 3.03Å; L41-Y60 HydrophobicContact CD1-CD2 4.33Å; L41-Y60 HydrophobicContact CD1-CG 4.44Å; Y60-D62 PolarHBondContact O-N 3.42Å; Y60-T63 PolarHBondContact N-O 2.87Å; Y60-T63 WeakPolarHBondContact O-CA 3.48Å; Y60-T63 VanDerWaalsContact O-CB 3.29Å; Y60-T63 WeakPolarHBondContact O-CB 3.4Å; Y60-T63 PolarHBondContact O-N 3.16Å; Y60-C148 HydrophobicContact CD1-CB 3.72Å; Y60-C148 HydrophobicContact CE1-CB 4.13Å; Y60-C148 HydrophobicContact CG-CB 4.07Å; Y60-C148 WeakPolarHBondContact O-CB 3.4Å; Y60-C148 PolarHBondContact O-SG 3.35Å; Y60-C148 VanDerWaalsContact O-SG 3.4Å; Y60-N188 WeakPolarHBondContact OH-CB 3.43Å; Y60-N188 PolarHBondContact OH-ND2 3.38Å
61	G	97.9	Very high	98.5	Very high	18 Å²	18	29.2 Å²	29.2	19%	0.186	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-129.6	-157.7	0	0	0	0	0	110.6	P40 E145	P40-G61 PolarHBondContact O-N 2.91Å; G61-E145 WeakPolarHBondContact CA-OE2 3.33Å
62	D	98	Very high	98.6	Very high	118 Å²	118	21.4 Å²	21.4	63%	0.631	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	0.7	173.5	-73.2	-25.4	0	0	0	113.5	Y60 S143 E145	Y60-D62 PolarHBondContact O-N 3.42Å; D62-S143 VanDerWaalsContact O-CB 3.29Å; D62-S143 WeakPolarHBondContact O-CB 3.34Å; D62-S143 PolarHBondContact O-OG 3.2Å; D62-E145 HydrophobicContact CB-CB 4.07Å; D62-E145 PolarHBondContact N-OE2 2.92Å
63	T	98.8	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.9	165.8	-70.2	0	0	0	0	109.9	R59 Y60 V65 S143 E145 C148 P150 A153	R59-T63 CarbonylContact C-O 3.59Å; R59-T63 VanDerWaalsContact CA-O 3.28Å; R59-T63 WeakPolarHBondContact CA-O 3.44Å; Y60-T63 PolarHBondContact N-O 2.87Å; Y60-T63 WeakPolarHBondContact O-CA 3.48Å; Y60-T63 VanDerWaalsContact O-CB 3.29Å; Y60-T63 WeakPolarHBondContact O-CB 3.4Å; Y60-T63 PolarHBondContact O-N 3.16Å; T63-V65 HydrophobicContact CG2-CG2 4.43Å; T63-S143 CarbonylContact C-O 3.6Å; T63-S143 VanDerWaalsContact CA-O 3.3Å; T63-S143 WeakPolarHBondContact CA-O 3.48Å; T63-E145 PolarHBondContact OG1-N 3.12Å; T63-E145 PolarHBondContact OG1-O 2.95Å; T63-E145 VanDerWaalsContact OG1-O 3.09Å; T63-C148 VanDerWaalsContact CB-O 3.26Å; T63-C148 WeakPolarHBondContact CB-O 3.27Å; T63-C148 WeakPolarHBondContact CG2-O 3.45Å; T63-C148 WeakPolarHBondContact OG1-CB 3.45Å; T63-C148 PolarHBondContact OG1-O 3.1Å; T63-P150 HydrophobicContact CG2-CB 3.77Å; T63-A153 HydrophobicContact CG2-CB 4.45Å
64	V	98.8	Very high	98	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.6	-176.6	-175.1	0	0	0	0	110.5	L57 V58 R59 M142 S143	L57-V64 HydrophobicContact CD1-CG1 3.59Å; L57-V64 HydrophobicContact CD2-CG1 4.22Å; L57-V64 HydrophobicContact CG-CG1 3.91Å; V58-V64 WeakPolarHBondContact O-CA 3.39Å; R59-V64 HydrophobicContact CG-CG2 4.18Å; V64-M142 HydrophobicContact CB-CB 4.48Å; V64-M142 HydrophobicContact CG1-CB 4.45Å; V64-M142 PolarHBondContact O-N 3.23Å; V64-S143 PolarHBondContact N-O 2.82Å; V64-S143 PolarHBondContact O-N 2.91Å
65	V	98.9	Very high	97.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.8	175.9	-178.3	0	0	0	0	110.3	V58 T63 N139 F140 V141 P150 A153 A154	V58-V65 PolarHBondContact N-O 3.49Å; V58-V65 PolarHBondContact O-N 2.99Å; T63-V65 HydrophobicContact CG2-CG2 4.43Å; V65-N139 HydrophobicContact CG1-CB 4.08Å; V65-F140 WeakPolarHBondContact CA-O 3.29Å; V65-V141 HydrophobicContact CG2-CG2 4.48Å; V65-P150 HydrophobicContact CG2-CB 4.32Å; V65-A153 HydrophobicContact CB-CB 4.34Å; V65-A153 HydrophobicContact CG2-CB 3.85Å; V65-A154 HydrophobicContact CG1-CB 3.96Å
66	L	98.9	Very high	97.2	Very high	23 Å²	23	41.6 Å²	41.6	12%	0.12	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	116.3	168.4	174.3	66.3	0	0	0	109	L48 L57 N139 F140 M142	L48-L66 HydrophobicContact CB-CD1 4.05Å; L48-L66 HydrophobicContact CD1-CD1 4.34Å; L57-L66 HydrophobicContact CD1-CB 3.85Å; L57-L66 HydrophobicContact CD1-CD1 4.31Å; L66-N139 CarbonylContact O-C 3.56Å; L66-N139 WeakPolarHBondContact O-CA 3.25Å; L66-F140 HydrophobicContact CB-CB 4.35Å; L66-F140 HydrophobicContact CD2-CD2 4.38Å; L66-F140 PolarHBondContact N-O 2.95Å; L66-F140 PolarHBondContact O-N 2.98Å; L66-M142 HydrophobicContact CB-SD 4Å
67	S	98.9	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.1	175.4	-56.4	0	0	0	0	109.5	A55 V56 T138 N139 G157	A55-S67 CarbonylContact C-O 3.51Å; A55-S67 VanDerWaalsContact CA-O 3.24Å; A55-S67 WeakPolarHBondContact CA-O 3.39Å; V56-S67 PolarHBondContact N-O 3.02Å; V56-S67 PolarHBondContact O-N 3.19Å; S67-T138 WeakPolarHBondContact CA-O 3.39Å; S67-N139 VanDerWaalsContact CB-OD1 3.31Å; S67-N139 WeakPolarHBondContact CB-OD1 3.44Å; S67-N139 PolarHBondContact OG-OD1 2.97Å; S67-G157 VanDerWaalsContact CB-O 3.31Å; S67-G157 WeakPolarHBondContact CB-O 3.3Å; S67-G157 VanDerWaalsContact OG-C 3.29Å; S67-G157 WeakPolarHBondContact OG-CA 3.49Å
68	A	98.9	Very high	96	Very high	15 Å²	15	49.3 Å²	49.3	12%	0.124	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.3	177.4	0	0	0	0	0	110.5	A49 A52 G54 A55 V137 T138	A49-A68 HydrophobicContact CB-CB 4.16Å; A52-A68 HydrophobicContact CB-CB 4.16Å; G54-A68 WeakPolarHBondContact O-CA 3.47Å; A55-A68 HydrophobicContact CB-CB 4.24Å; A68-V137 WeakPolarHBondContact O-CA 3.42Å; A68-T138 PolarHBondContact N-O 2.94Å; A68-T138 PolarHBondContact O-N 2.72Å
69	A	98.9	Very high	95.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.6	178.1	0	0	0	0	0	110.6	N53 G54 Q136 V137 A161 L162 I167	N53-A69 WeakPolarHBondContact CB-O 3.44Å; N53-A69 PolarHBondContact N-O 3.25Å; G54-A69 PolarHBondContact N-O 2.85Å; G54-A69 PolarHBondContact O-N 2.85Å; A69-Q136 CarbonylContact C-O 3.36Å; A69-Q136 WeakPolarHBondContact CA-O 3.38Å; A69-V137 HydrophobicContact CB-CG2 4.12Å; A69-A161 HydrophobicContact CB-CB 4.15Å; A69-L162 HydrophobicContact CB-CD2 3.78Å; A69-L162 HydrophobicContact CB-CG 4.16Å; A69-I167 HydrophobicContact CB-CD1 4.2Å
70	V	98.8	Very high	94.7	Very high	55 Å²	55	56.7 Å²	56.7	33%	0.333	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.2	174	-65.1	0	0	0	0	110.6	A52 N53 V135 Q136	A52-V70 HydrophobicContact CB-CG1 3.98Å; N53-V70 VanDerWaalsContact OD1-CA 3.28Å; N53-V70 WeakPolarHBondContact OD1-CA 3.38Å; V70-V135 WeakPolarHBondContact O-CA 3.35Å; V70-Q136 HydrophobicContact CG2-CB 3.81Å; V70-Q136 PolarHBondContact N-O 3.01Å; V70-Q136 PolarHBondContact O-N 3.36Å
71	A	98.3	Very high	94.5	Very high	19 Å²	19	57.9 Å²	57.9	16%	0.157	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.4	171.7	0	0	0	0	0	111.7	N53 E134 V135 I167 M255	N53-A71 PolarHBondContact OD1-N 3.37Å; A71-E134 CarbonylContact C-O 3.47Å; A71-E134 WeakPolarHBondContact CA-O 3.23Å; A71-V135 HydrophobicContact CB-CG2 4.21Å; A71-I167 HydrophobicContact CB-CD1 3.68Å; A71-I167 HydrophobicContact CB-CG1 3.68Å; A71-I167 HydrophobicContact CB-CG2 4.35Å; A71-M255 HydrophobicContact CB-CE 3.78Å
72	S	97	Very high	94.4	Very high	27 Å²	27	57.9 Å²	57.9	19%	0.189	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	145.9	167.9	64.5	0	0	0	0	110.7	E74 N133 E134	S72-E74 WeakPolarHBondContact CB-O 3.26Å; S72-E74 PolarHBondContact OG-O 2.79Å; S72-N133 PolarHBondContact O-ND2 2.91Å; S72-E134 PolarHBondContact N-O 3.4Å; S72-E134 PolarHBondContact OG-N 2.95Å
73	K	92.5	Very high	94.3	Very high	192 Å²	192	52.7 Å²	52.7	84%	0.835	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	-46.3	174.8	-66.8	-175.1	176.8	-175.3	0	111.8	N133	K73-N133 PolarHBondContact O-ND2 3.18Å
74	E	92.4	Very high	94.3	Very high	152 Å²	152	54.8 Å²	54.8	71%	0.71	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	150	179.9	-54	-57.4	154	0	0	110.7	S72	S72-E74 WeakPolarHBondContact CB-O 3.26Å; S72-E74 PolarHBondContact OG-O 2.79Å
75	A	90.7	Very high	94.3	Very high	51 Å²	51	54.2 Å²	54.2	42%	0.421	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	150.5	169.2	0	0	0	0	0	111.2	R132	A75-R132 HydrophobicContact CB-CB 3.94Å
76	K	90.7	Very high	94.3	Very high	93 Å²	93	56 Å²	56	40%	0.404	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-91.6	141.9	174.5	-61.6	-65.3	-175.6	159.9	0	110.1	T78 P82 R132 E134	K76-T78 VanDerWaalsContact C-N 3.31Å; K76-T78 HydrophobicContact CB-CG2 3.85Å; K76-T78 PolarHBondContact O-N 2.89Å; K76-P82 HydrophobicContact CB-CG 4.3Å; K76-P82 HydrophobicContact CG-CG 4.17Å; K76-R132 PolarHBondContact N-O 3.39Å; K76-E134 WeakPolarHBondContact CE-OE2 3.25Å; K76-E134 HydrophobicContact CG-CB 4.08Å; K76-E134 IonicContact NZ-OE2 2.69Å; K76-E134 PolarHBondContact NZ-OE2 2.99Å
77	D	85.7	Confident	94.2	Very high	136 Å²	136	55.3 Å²	55.3	73%	0.727	29%	0.289	S	S	*	.	S	Bend	trans	-79.1	81.9	171.4	-162.5	12.5	0	0	0	109.8	K320	D77-K320 IonicContact OD1-NZ 2.72Å; D77-K320 PolarHBondContact OD1-NZ 3.4Å; D77-K320 IonicContact OD2-NZ 2.88Å; D77-K320 PolarHBondContact OD2-NZ 3.47Å
78	T	86	Confident	94.2	Very high	38 Å²	38	58.1 Å²	58.1	23%	0.233	30%	0.302	C	S	.	.	S	Bend	trans	-148.1	152.5	-178.6	-178.5	0	0	0	0	110.4	K76 F80 P82 R132	K76-T78 VanDerWaalsContact C-N 3.31Å; K76-T78 HydrophobicContact CB-CG2 3.85Å; K76-T78 PolarHBondContact O-N 2.89Å; T78-F80 VanDerWaalsContact C-N 3.25Å; T78-F80 WeakPolarHBondContact CG2-O 3.44Å; T78-F80 PolarHBondContact O-N 2.85Å; T78-F80 WeakPolarHBondContact OG1-CD1 3.21Å; T78-F80 WeakPolarHBondContact OG1-CE1 3.03Å; T78-P82 HydrophobicContact CG2-CG 4.08Å; T78-R132 VanDerWaalsContact O-CD 3.31Å; T78-R132 WeakPolarHBondContact O-CD 3.43Å; T78-R132 PolarHBondContact O-NE 3.31Å
79	D	81.5	Confident	94	Very high	107 Å²	107	58.5 Å²	58.5	57%	0.572	30%	0.302	S	S	*	.	S	Bend	trans	-77.8	-8.1	-177.2	-62	-34.9	0	0	0	113.1	R132 K323	D79-R132 PolarHBondContact O-NH2 2.75Å; D79-R132 VanDerWaalsContact O-NH2 3.09Å; D79-K323 IonicContact OD1-NZ 2.88Å; D79-K323 PolarHBondContact OD1-NZ 2.8Å; D79-K323 IonicContact OD2-NZ 2.77Å; D79-K323 PolarHBondContact OD2-NZ 2.86Å
80	F	88.6	Confident	93.8	Very high	133 Å²	133	59.9 Å²	59.9	58%	0.583	31%	0.308	S	S	*	.	S	Bend	trans	-130	158.3	-176.2	67.7	-89	0	0	0	113.2	T78 P82	T78-F80 VanDerWaalsContact C-N 3.25Å; T78-F80 WeakPolarHBondContact CG2-O 3.44Å; T78-F80 PolarHBondContact O-N 2.85Å; T78-F80 WeakPolarHBondContact OG1-CD1 3.21Å; T78-F80 WeakPolarHBondContact OG1-CE1 3.03Å; F80-P82 HydrophobicContact CE2-CB 4.09Å; F80-P82 VanDerWaalsContact O-CD 3.22Å; F80-P82 WeakPolarHBondContact O-CD 3.43Å
81	F	93.6	Very high	93.5	Very high	25 Å²	25	58.3 Å²	58.3	11%	0.11	30%	0.297	C	S	.	.			trans	-70.9	112.8	173.1	171.8	-140.5	0	0	0	111.6	L83 R124 F127 F131 N133 V135	F81-L83 VanDerWaalsContact C-N 3.32Å; F81-L83 HydrophobicContact CD1-CB 4.01Å; F81-L83 HydrophobicContact CE1-CB 3.54Å; F81-L83 HydrophobicContact CE1-CD2 4.05Å; F81-L83 HydrophobicContact CE1-CG 4.27Å; F81-L83 HydrophobicContact CE2-CB 4.3Å; F81-L83 HydrophobicContact CZ-CB 3.7Å; F81-L83 HydrophobicContact CZ-CD1 4.38Å; F81-L83 HydrophobicContact CZ-CG 4.45Å; F81-L83 PolarHBondContact O-N 2.85Å; F81-R124 HydrophobicContact CD1-CG 4.35Å; F81-R124 PolarHBondContact O-NH1 3.3Å; F81-R124 VanDerWaalsContact O-NH1 3.08Å; F81-F127 HydrophobicContact CD1-CB 4.15Å; F81-F127 HydrophobicContact CD1-CD2 4.5Å; F81-F127 HydrophobicContact CD1-CG 4.33Å; F81-F127 HydrophobicContact CE1-CB 3.63Å; F81-F127 AromaticContact CE1-CD1 3.96Å; F81-F127 HydrophobicContact CE1-CD1 3.96Å; F81-F127 AromaticContact CE1-CD2 3.37Å; F81-F127 HydrophobicContact CE1-CD2 3.37Å; F81-F127 HydrophobicContact CE1-CE1 4.47Å; F81-F127 AromaticContact CE1-CE2 3.94Å; F81-F127 HydrophobicContact CE1-CE2 3.94Å; F81-F127 AromaticContact CE1-CG 3.36Å; F81-F127 HydrophobicContact CE1-CG 3.36Å; F81-F127 HydrophobicContact CE1-CZ 4.46Å; F81-F127 HydrophobicContact CE2-CD1 4.31Å; F81-F127 HydrophobicContact CE2-CG 4.47Å; F81-F127 HydrophobicContact CZ-CB 4.05Å; F81-F127 AromaticContact CZ-CD1 3.53Å; F81-F127 HydrophobicContact CZ-CD1 3.53Å; F81-F127 AromaticContact CZ-CD2 3.68Å; F81-F127 HydrophobicContact CZ-CD2 3.68Å; F81-F127 AromaticContact CZ-CE1 3.79Å; F81-F127 HydrophobicContact CZ-CE1 3.79Å; F81-F127 AromaticContact CZ-CE2 3.92Å; F81-F127 HydrophobicContact CZ-CE2 3.92Å; F81-F127 AromaticContact CZ-CG 3.45Å; F81-F127 HydrophobicContact CZ-CG 3.45Å; F81-F127 VanDerWaalsContact CZ-CG 3.45Å; F81-F127 AromaticContact CZ-CZ 3.97Å; F81-F127 HydrophobicContact CZ-CZ 3.97Å; F81-F131 HydrophobicContact CD2-CB 4.49Å; F81-F131 AromaticContact CD2-CD1 3.62Å; F81-F131 HydrophobicContact CD2-CD1 3.62Å; F81-F131 HydrophobicContact CD2-CE1 4.38Å; F81-F131 AromaticContact CE2-CD1 3.31Å; F81-F131 HydrophobicContact CE2-CD1 3.31Å; F81-F131 AromaticContact CE2-CE1 3.67Å; F81-F131 HydrophobicContact CE2-CE1 3.67Å; F81-F131 HydrophobicContact CE2-CG 4.36Å; F81-F131 HydrophobicContact CZ-CD1 4.08Å; F81-F131 HydrophobicContact CZ-CE1 4.33Å; F81-N133 WeakPolarHBondContact CE2-O 3.47Å; F81-V135 HydrophobicContact CE2-CB 4.25Å; F81-V135 HydrophobicContact CE2-CG2 3.91Å; F81-V135 HydrophobicContact CZ-CB 4.15Å; F81-V135 HydrophobicContact CZ-CG2 4.02Å
82	P	95.7	Very high	93.4	Very high	18 Å²	18	63.3 Å²	63.3	12%	0.117	31%	0.312	C	S	.	.			trans	-83.3	75.3	-176.3	23.6	-13	0	0	0	111.6	K76 T78 F80 E134 V135	K76-P82 HydrophobicContact CB-CG 4.3Å; K76-P82 HydrophobicContact CG-CG 4.17Å; T78-P82 HydrophobicContact CG2-CG 4.08Å; F80-P82 HydrophobicContact CE2-CB 4.09Å; F80-P82 VanDerWaalsContact O-CD 3.22Å; F80-P82 WeakPolarHBondContact O-CD 3.43Å; P82-E134 HydrophobicContact CB-CB 4.38Å; P82-E134 HydrophobicContact CB-CG 4.34Å; P82-E134 HydrophobicContact CG-CB 4.17Å; P82-E134 WeakPolarHBondContact O-CA 3.4Å; P82-V135 PolarHBondContact O-N 2.97Å
83	L	97.7	Very high	93.4	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.052	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.1	169.2	174.8	66.7	0	0	0	110.8	F81 I85 I123 R124 F127 V135	F81-L83 VanDerWaalsContact C-N 3.32Å; F81-L83 HydrophobicContact CD1-CB 4.01Å; F81-L83 HydrophobicContact CE1-CB 3.54Å; F81-L83 HydrophobicContact CE1-CD2 4.05Å; F81-L83 HydrophobicContact CE1-CG 4.27Å; F81-L83 HydrophobicContact CE2-CB 4.3Å; F81-L83 HydrophobicContact CZ-CB 3.7Å; F81-L83 HydrophobicContact CZ-CD1 4.38Å; F81-L83 HydrophobicContact CZ-CG 4.45Å; F81-L83 PolarHBondContact O-N 2.85Å; L83-I85 HydrophobicContact CD1-CD1 3.93Å; L83-I85 HydrophobicContact CD2-CD1 4.41Å; L83-I85 HydrophobicContact CG-CD1 4.26Å; L83-I123 HydrophobicContact CD2-CG2 4.01Å; L83-R124 HydrophobicContact CD2-CB 3.92Å; L83-R124 HydrophobicContact CD2-CG 4.45Å; L83-R124 PolarHBondContact O-NH2 3.17Å; L83-F127 HydrophobicContact CD2-CE2 4.47Å; L83-V135 CarbonylContact C-O 3.51Å; L83-V135 WeakPolarHBondContact CA-O 3.45Å; L83-V135 HydrophobicContact CD1-CB 3.9Å; L83-V135 HydrophobicContact CD1-CG1 3.71Å
84	T	98.2	Very high	93.6	Very high	44 Å²	44	55 Å²	55	27%	0.27	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.1	170.5	-58.2	0	0	0	0	110.5	N86 V135 Q136 V137	T84-N86 WeakPolarHBondContact CG2-OD1 3.41Å; T84-V135 PolarHBondContact N-O 2.8Å; T84-Q136 WeakPolarHBondContact O-CA 3.41Å; T84-V137 PolarHBondContact O-N 3.12Å
85	I	98.5	Very high	93.6	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.3	164.4	-52	-57.9	0	0	0	109.3	L83 A116 I119 D120 I123 V137	L83-I85 HydrophobicContact CD1-CD1 3.93Å; L83-I85 HydrophobicContact CD2-CD1 4.41Å; L83-I85 HydrophobicContact CG-CD1 4.26Å; I85-A116 HydrophobicContact CG2-CB 4.44Å; I85-I119 HydrophobicContact CD1-CG2 4.47Å; I85-I119 HydrophobicContact CG1-CG2 4.38Å; I85-I119 HydrophobicContact CG2-CB 3.97Å; I85-I119 HydrophobicContact CG2-CG2 3.77Å; I85-D120 HydrophobicContact CB-CB 4.3Å; I85-D120 HydrophobicContact CG1-CB 3.66Å; I85-I123 HydrophobicContact CD1-CD1 4.43Å; I85-V137 HydrophobicContact CD1-CB 3.71Å; I85-V137 HydrophobicContact CD1-CG2 3.85Å
86	N	98.3	Very high	93.7	Very high	36 Å²	36	53.3 Å²	53.3	19%	0.193	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132	172.4	-60.5	-47.8	0	0	0	109.4	T84 V137 T138 N139	T84-N86 WeakPolarHBondContact CG2-OD1 3.41Å; N86-V137 PolarHBondContact N-O 3.42Å; N86-T138 HydrophobicContact CB-CG2 4.07Å; N86-T138 PolarHBondContact ND2-OG1 3.24Å; N86-N139 WeakPolarHBondContact O-CB 3.46Å; N86-N139 PolarHBondContact O-N 2.82Å; N86-N139 PolarHBondContact O-ND2 3.14Å
87	Y	98.5	Very high	93.7	Very high	10 Å²	10	54.8 Å²	54.8	4%	0.039	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110.5	172	-176	-94.5	0	0	0	108.2	E89 A112 T115 I119 N139 V141 P150 A154	Y87-E89 HydrophobicContact CD1-CG 3.95Å; Y87-E89 HydrophobicContact CE1-CG 3.62Å; Y87-A112 HydrophobicContact CD1-CB 3.9Å; Y87-T115 HydrophobicContact CD1-CG2 4.1Å; Y87-T115 HydrophobicContact CD2-CG2 3.52Å; Y87-T115 HydrophobicContact CE1-CG2 4.08Å; Y87-T115 HydrophobicContact CE2-CG2 3.54Å; Y87-T115 HydrophobicContact CG-CG2 3.78Å; Y87-I119 HydrophobicContact CD2-CD1 4.38Å; Y87-N139 HydrophobicContact CD2-CB 4.17Å; Y87-V141 HydrophobicContact CD2-CG2 4.34Å; Y87-V141 HydrophobicContact CE1-CG2 3.93Å; Y87-V141 HydrophobicContact CE2-CG2 3.58Å; Y87-V141 WeakPolarHBondContact OH-CG2 3.41Å; Y87-P150 WeakPolarHBondContact OH-CB 3.48Å; Y87-P150 WeakPolarHBondContact OH-CG 3.36Å; Y87-A154 HydrophobicContact CD2-CB 3.76Å; Y87-A154 HydrophobicContact CE2-CB 3.61Å
88	E	97.4	Very high	93.7	Very high	59 Å²	59	49.1 Å²	49.1	28%	0.276	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	96.6	-170	-69.9	-71	144.1	0	0	109.5	K90 T138 N139 F140 V141	E88-K90 PolarHBondContact O-N 3.48Å; E88-K90 IonicContact OE2-NZ 3.04Å; E88-K90 PolarHBondContact OE2-NZ 3.28Å; E88-T138 HydrophobicContact CG-CG2 4.04Å; E88-N139 WeakPolarHBondContact CB-O 3.38Å; E88-N139 PolarHBondContact N-O 3.16Å; E88-F140 HydrophobicContact CB-CD1 3.79Å; E88-F140 HydrophobicContact CB-CE1 4.17Å; E88-F140 HydrophobicContact CB-CG 4.46Å; E88-F140 HydrophobicContact CG-CD1 4.13Å; E88-F140 HydrophobicContact CG-CE1 4.01Å; E88-V141 PolarHBondContact O-N 3.01Å
89	E	95	Very high	93.5	Very high	23 Å²	23	49 Å²	49	11%	0.107	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.2	170.4	-64.3	-178	122.7	0	0	109.8	Y87 E105 S109 A112 L397	Y87-E89 HydrophobicContact CD1-CG 3.95Å; Y87-E89 HydrophobicContact CE1-CG 3.62Å; E89-E105 WeakPolarHBondContact O-CG 3.19Å; E89-S109 VanDerWaalsContact OE2-CB 3.29Å; E89-S109 WeakPolarHBondContact OE2-CB 3.37Å; E89-S109 PolarHBondContact OE2-OG 2.93Å; E89-A112 HydrophobicContact CG-CB 3.98Å; E89-L397 HydrophobicContact CB-CD1 3.82Å; E89-L397 HydrophobicContact CB-CG 4.12Å; E89-L397 HydrophobicContact CG-CD1 3.81Å; E89-L397 HydrophobicContact CG-CG 4.21Å
90	K	94.7	Very high	93.5	Very high	29 Å²	29	46.6 Å²	46.6	13%	0.126	27%	0.268	C	S	.	.			trans	-114.2	122	173.7	-57.5	-63	171.6	-145.4	0	109.1	E88 Y92 A93 E105 V141 L397	E88-K90 PolarHBondContact O-N 3.48Å; E88-K90 IonicContact OE2-NZ 3.04Å; E88-K90 PolarHBondContact OE2-NZ 3.28Å; K90-Y92 HydrophobicContact CB-CD1 3.72Å; K90-Y92 HydrophobicContact CB-CD2 4.23Å; K90-Y92 HydrophobicContact CB-CE1 3.35Å; K90-Y92 HydrophobicContact CB-CE2 3.88Å; K90-Y92 HydrophobicContact CB-CG 4.14Å; K90-Y92 VanDerWaalsContact CB-CZ 3.41Å; K90-Y92 HydrophobicContact CD-CE1 4.1Å; K90-Y92 HydrophobicContact CG-CD1 4.49Å; K90-Y92 HydrophobicContact CG-CE1 3.68Å; K90-Y92 HydrophobicContact CG-CE2 4.49Å; K90-Y92 PolarHBondContact O-N 3.3Å; K90-Y92 VanDerWaalsContact O-N 3.15Å; K90-A93 WeakPolarHBondContact O-CB 3.42Å; K90-A93 PolarHBondContact O-N 2.87Å; K90-E105 HydrophobicContact CD-CG 4.19Å; K90-V141 WeakPolarHBondContact CB-O 3.22Å; K90-L397 WeakPolarHBondContact O-CD2 3.18Å
91	M	93.8	Very high	93.3	Very high	21 Å²	21	50.2 Å²	50.2	10%	0.103	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-64.9	-24.9	-174.5	-71.2	-65.1	-176.3	0	0	112.6	A93 V94 G95 K96 P98 E105 D395 L397	M91-A93 PolarHBondContact O-N 3Å; M91-V94 VanDerWaalsContact O-CG2 3.31Å; M91-V94 WeakPolarHBondContact O-CG2 3.37Å; M91-V94 PolarHBondContact O-N 3.11Å; M91-G95 PolarHBondContact O-N 3.25Å; M91-K96 CarbonylContact C-O 3.18Å; M91-K96 HydrophobicContact CB-CB 4.24Å; M91-K96 WeakPolarHBondContact CB-O 3.15Å; M91-K96 PolarHBondContact O-N 2.72Å; M91-P98 HydrophobicContact CB-CG 3.92Å; M91-P98 HydrophobicContact CG-CB 4.18Å; M91-P98 HydrophobicContact CG-CG 3.87Å; M91-E105 PolarHBondContact N-OE1 2.85Å; M91-D395 VanDerWaalsContact CE-O 3.25Å; M91-D395 WeakPolarHBondContact CE-O 3.36Å; M91-L397 HydrophobicContact SD-CD2 4.13Å
92	Y	95.6	Very high	92.9	Very high	124 Å²	124	56.2 Å²	56.2	49%	0.486	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-61.3	-22.2	171.7	67.3	-115.8	0	0	0	112.8	K90 V94 G95 K96 M142	K90-Y92 HydrophobicContact CB-CD1 3.72Å; K90-Y92 HydrophobicContact CB-CD2 4.23Å; K90-Y92 HydrophobicContact CB-CE1 3.35Å; K90-Y92 HydrophobicContact CB-CE2 3.88Å; K90-Y92 HydrophobicContact CB-CG 4.14Å; K90-Y92 VanDerWaalsContact CB-CZ 3.41Å; K90-Y92 HydrophobicContact CD-CE1 4.1Å; K90-Y92 HydrophobicContact CG-CD1 4.49Å; K90-Y92 HydrophobicContact CG-CE1 3.68Å; K90-Y92 HydrophobicContact CG-CE2 4.49Å; K90-Y92 PolarHBondContact O-N 3.3Å; K90-Y92 VanDerWaalsContact O-N 3.15Å; Y92-V94 PolarHBondContact O-N 2.79Å; Y92-G95 PolarHBondContact O-N 2.87Å; Y92-K96 PolarHBondContact N-O 2.87Å; Y92-M142 HydrophobicContact CE2-CB 4.4Å
93	A	97.2	Very high	92.6	Very high	9 Å²	9	60.9 Å²	60.9	7%	0.074	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-63.1	-20.7	178.7	0	0	0	0	0	112.6	K90 M91 V141 M142 V144	K90-A93 WeakPolarHBondContact O-CB 3.42Å; K90-A93 PolarHBondContact O-N 2.87Å; M91-A93 PolarHBondContact O-N 3Å; A93-V141 HydrophobicContact CB-CG1 4.28Å; A93-M142 WeakPolarHBondContact CA-O 3.22Å; A93-V144 HydrophobicContact CB-CG2 4.12Å; A93-V144 PolarHBondContact O-N 2.71Å; A93-V144 VanDerWaalsContact O-N 3.07Å
94	V	95.6	Very high	92.2	Very high	36 Å²	36	69.5 Å²	69.5	22%	0.218	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-119.9	18.8	173.8	-67.1	0	0	0	0	112.2	M91 Y92 K96 V144 L397	M91-V94 VanDerWaalsContact O-CG2 3.31Å; M91-V94 WeakPolarHBondContact O-CG2 3.37Å; M91-V94 PolarHBondContact O-N 3.11Å; Y92-V94 PolarHBondContact O-N 2.79Å; V94-K96 HydrophobicContact CG2-CB 4.13Å; V94-K96 HydrophobicContact CG2-CD 3.78Å; V94-K96 HydrophobicContact CG2-CG 3.86Å; V94-K96 PolarHBondContact O-N 2.95Å; V94-V144 HydrophobicContact CG1-CB 3.77Å; V94-V144 HydrophobicContact CG1-CG1 4.3Å; V94-V144 HydrophobicContact CG1-CG2 4.24Å; V94-L397 HydrophobicContact CG1-CB 4.29Å; V94-L397 HydrophobicContact CG1-CD2 4.3Å; V94-L397 WeakPolarHBondContact CG1-O 3.47Å; V94-L397 HydrophobicContact CG2-CD2 3.82Å
95	G	93.5	Very high	91.6	Very high	74 Å²	74	70.6 Å²	70.6	76%	0.763	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	18.4	178.9	0	0	0	0	0	115.1	M91 Y92	M91-G95 PolarHBondContact O-N 3.25Å; Y92-G95 PolarHBondContact O-N 2.87Å
96	K	91.7	Very high	91	Very high	93 Å²	93	73.9 Å²	73.9	40%	0.404	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-98.5	152.2	-179.7	-65.9	178.7	-171.7	174.8	0	111.5	M91 Y92 V94 G396	M91-K96 CarbonylContact C-O 3.18Å; M91-K96 HydrophobicContact CB-CB 4.24Å; M91-K96 WeakPolarHBondContact CB-O 3.15Å; M91-K96 PolarHBondContact O-N 2.72Å; Y92-K96 PolarHBondContact N-O 2.87Å; V94-K96 HydrophobicContact CG2-CB 4.13Å; V94-K96 HydrophobicContact CG2-CD 3.78Å; V94-K96 HydrophobicContact CG2-CG 3.86Å; V94-K96 PolarHBondContact O-N 2.95Å; K96-G396 PolarHBondContact NZ-O 3.12Å
97	I	90.2	Very high	90.6	Very high	124 Å²	124	82.5 Å²	82.5	64%	0.636	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-92.2	134.7	164	-56.7	178	0	0	0	107	G99 K103	I97-G99 PolarHBondContact O-N 3.41Å; I97-K103 HydrophobicContact CG2-CB 4.09Å; I97-K103 HydrophobicContact CG2-CD 3.77Å; I97-K103 HydrophobicContact CG2-CG 4.26Å
98	P	87.6	Confident	90.3	Very high	18 Å²	18	85.1 Å²	85.1	12%	0.117	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-49.6	139.4	176.7	-26.3	33.1	0	0	0	113.4	M91 K103	M91-P98 HydrophobicContact CB-CG 3.92Å; M91-P98 HydrophobicContact CG-CB 4.18Å; M91-P98 HydrophobicContact CG-CG 3.87Å; P98-K103 WeakPolarHBondContact O-CD 3.09Å; P98-K103 PolarHBondContact O-NZ 2.55Å
99	G	81.6	Confident	90.1	Very high	36 Å²	36	84.1 Å²	84.1	37%	0.371	45%	0.449	S	S	.	.	S	Bend	trans	-57.3	170.5	174.2	0	0	0	0	0	114.3	I97 D395	I97-G99 PolarHBondContact O-N 3.41Å; G99-D395 VanDerWaalsContact CA-OD2 3.24Å; G99-D395 WeakPolarHBondContact CA-OD2 3.27Å; G99-D395 PolarHBondContact N-OD2 3.27Å
100	G	81.3	Confident	90	Very high	55 Å²	55	86.4 Å²	86.4	57%	0.567	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	-168.1	179	0	0	0	0	0	115	K103	G100-K103 VanDerWaalsContact O-CD 3.3Å; G100-K103 WeakPolarHBondContact O-CD 3.36Å; G100-K103 WeakPolarHBondContact O-CE 2.98Å; G100-K103 PolarHBondContact O-NZ 3.44Å
101	F	84.8	Confident	89.9	Confident	210 Å²	210	89.2 Å²	89.2	92%	0.921	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-32.1	-173.3	-67.7	-76	0	0	0	114.3	K103	F101-K103 VanDerWaalsContact C-N 3.32Å; F101-K103 PolarHBondContact O-N 3.39Å
102	I	85.2	Confident	90	Very high	150 Å²	150	88.3 Å²	88.3	77%	0.769	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-17.3	-171.5	-59.8	175.6	0	0	0	111.8	R104	I102-R104 HydrophobicContact CG2-CB 4.18Å; I102-R104 PolarHBondContact O-N 2.73Å; I102-R104 VanDerWaalsContact O-N 3.16Å
103	K	88.4	Confident	90.1	Very high	117 Å²	117	82.9 Å²	82.9	51%	0.509	46%	0.457	S	S	.	.			trans	49.9	36.9	176.9	-58.3	-51.1	-167.9	-170.1	0	114	I97 P98 G100 F101	I97-K103 HydrophobicContact CG2-CB 4.09Å; I97-K103 HydrophobicContact CG2-CD 3.77Å; I97-K103 HydrophobicContact CG2-CG 4.26Å; P98-K103 WeakPolarHBondContact O-CD 3.09Å; P98-K103 PolarHBondContact O-NZ 2.55Å; G100-K103 VanDerWaalsContact O-CD 3.3Å; G100-K103 WeakPolarHBondContact O-CD 3.36Å; G100-K103 WeakPolarHBondContact O-CE 2.98Å; G100-K103 PolarHBondContact O-NZ 3.44Å; F101-K103 VanDerWaalsContact C-N 3.32Å; F101-K103 PolarHBondContact O-N 3.39Å
104	R	89.3	Confident	90	Very high	190 Å²	190	84.1 Å²	84.1	72%	0.717	46%	0.463	S	S	*	.	S	Bend	trans	-144.3	146.8	-178.8	-174.7	175.4	-179.5	149.3	2	109.7	I102 G106	I102-R104 HydrophobicContact CG2-CB 4.18Å; I102-R104 PolarHBondContact O-N 2.73Å; I102-R104 VanDerWaalsContact O-N 3.16Å; R104-G106 PolarHBondContact O-N 3.05Å
105	E	85	Confident	90.1	Very high	67 Å²	67	82.8 Å²	82.8	31%	0.313	46%	0.455	S	S	.	.			trans	-57	125.4	171.6	-65	75.7	-167.9	0	0	110.2	E89 K90 M91	E89-E105 WeakPolarHBondContact O-CG 3.19Å; K90-E105 HydrophobicContact CD-CG 4.19Å; M91-E105 PolarHBondContact N-OE1 2.85Å
106	G	87.4	Confident	90.4	Very high	71 Å²	71	79.5 Å²	79.5	73%	0.732	42%	0.42	S	S	*	.			trans	-101.7	-134.3	-179.1	0	0	0	0	0	111.7	R104	R104-G106 PolarHBondContact O-N 3.05Å
107	R	89.6	Confident	90.6	Very high	216 Å²	216	77.6 Å²	77.6	82%	0.815	41%	0.41	S	S	*	.	S	Bend	trans	-61.3	150.6	169.4	67.6	179.1	-178.1	-179.2	0.9	110.5
108	P	91.9	Very high	90.9	Very high	65 Å²	65	72.3 Å²	72.3	42%	0.422	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-52.4	142	173.1	-26.3	34.9	0	0	0	111.6	A112	P108-A112 HydrophobicContact CB-CB 4.08Å
109	S	92.4	Very high	91.4	Very high	38 Å²	38	71.5 Å²	71.5	27%	0.266	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-66.4	170.3	171.8	74.5	0	0	0	0	110.5	E89 D111 A112 T113	E89-S109 VanDerWaalsContact OE2-CB 3.29Å; E89-S109 WeakPolarHBondContact OE2-CB 3.37Å; E89-S109 PolarHBondContact OE2-OG 2.93Å; S109-D111 VanDerWaalsContact C-N 3.28Å; S109-D111 PolarHBondContact OG-N 2.9Å; S109-A112 WeakPolarHBondContact OG-CB 3.29Å; S109-A112 PolarHBondContact OG-N 2.73Å; S109-T113 WeakPolarHBondContact O-CB 3.26Å; S109-T113 PolarHBondContact O-N 3.16Å; S109-T113 PolarHBondContact O-OG1 3.46Å
110	T	92.5	Very high	92.1	Very high	72 Å²	72	71 Å²	71	44%	0.442	37%	0.367	S	S	.	.	H	α-helix	trans	-56.8	-46.9	168.9	-65.1	0	0	0	0	110.2	T113 L114 I430	T110-T113 WeakPolarHBondContact O-CB 3.29Å; T110-T113 PolarHBondContact O-N 3.47Å; T110-L114 HydrophobicContact CG2-CD1 3.88Å; T110-L114 HydrophobicContact CG2-CG 4.34Å; T110-L114 VanDerWaalsContact O-CG 3.26Å; T110-L114 WeakPolarHBondContact O-CG 3.27Å; T110-L114 PolarHBondContact O-N 3.05Å; T110-I430 HydrophobicContact CG2-CG2 3.72Å
111	D	94	Very high	92.8	Very high	87 Å²	87	69.6 Å²	69.6	47%	0.465	34%	0.344	S	S	.	.	H	α-helix	trans	-59.8	-52.1	-179.9	-169	66.9	0	0	0	111.4	S109 T113 L114 T115	S109-D111 VanDerWaalsContact C-N 3.28Å; S109-D111 PolarHBondContact OG-N 2.9Å; D111-T113 PolarHBondContact O-N 3.37Å; D111-L114 CarbonylContact O-C 3.45Å; D111-L114 WeakPolarHBondContact O-CA 3.21Å; D111-L114 WeakPolarHBondContact O-CB 3.28Å; D111-L114 PolarHBondContact O-N 3.48Å; D111-T115 PolarHBondContact O-N 2.96Å; D111-T115 PolarHBondContact O-OG1 3.42Å; D111-T115 VanDerWaalsContact O-OG1 3.04Å
112	A	96	Very high	93.4	Very high	2 Å²	2	59.6 Å²	59.6	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-56.8	-38.7	177	0	0	0	0	0	113.3	Y87 E89 P108 S109 A116	Y87-A112 HydrophobicContact CD1-CB 3.9Å; E89-A112 HydrophobicContact CG-CB 3.98Å; P108-A112 HydrophobicContact CB-CB 4.08Å; S109-A112 WeakPolarHBondContact OG-CB 3.29Å; S109-A112 PolarHBondContact OG-N 2.73Å; A112-A116 WeakPolarHBondContact O-CB 3.26Å; A112-A116 PolarHBondContact O-N 2.96Å
113	T	96.5	Very high	94	Very high	11 Å²	11	52.4 Å²	52.4	7%	0.067	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-42.8	176.2	-61	0	0	0	0	111.3	S109 T110 D111 R117 R427 I430	S109-T113 WeakPolarHBondContact O-CB 3.26Å; S109-T113 PolarHBondContact O-N 3.16Å; S109-T113 PolarHBondContact O-OG1 3.46Å; T110-T113 WeakPolarHBondContact O-CB 3.29Å; T110-T113 PolarHBondContact O-N 3.47Å; D111-T113 PolarHBondContact O-N 3.37Å; T113-R117 WeakPolarHBondContact O-CG 3.42Å; T113-R117 PolarHBondContact O-N 3.03Å; T113-R427 HydrophobicContact CG2-CB 3.78Å; T113-R427 HydrophobicContact CG2-CG 3.64Å; T113-I430 HydrophobicContact CG2-CD1 4.49Å
114	L	96.4	Very high	94.3	Very high	35 Å²	35	51 Å²	51	18%	0.183	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-44.8	177.4	-65.9	173.2	0	0	0	111.1	T110 D111 A116 R117 L118 I430 A434	T110-L114 HydrophobicContact CG2-CD1 3.88Å; T110-L114 HydrophobicContact CG2-CG 4.34Å; T110-L114 VanDerWaalsContact O-CG 3.26Å; T110-L114 WeakPolarHBondContact O-CG 3.27Å; T110-L114 PolarHBondContact O-N 3.05Å; D111-L114 CarbonylContact O-C 3.45Å; D111-L114 WeakPolarHBondContact O-CA 3.21Å; D111-L114 WeakPolarHBondContact O-CB 3.28Å; D111-L114 PolarHBondContact O-N 3.48Å; L114-A116 PolarHBondContact O-N 3.33Å; L114-R117 WeakPolarHBondContact O-CB 3.28Å; L114-R117 PolarHBondContact O-N 3.49Å; L114-R117 VanDerWaalsContact O-N 3.14Å; L114-L118 WeakPolarHBondContact O-CB 3.4Å; L114-L118 PolarHBondContact O-N 3.35Å; L114-I430 HydrophobicContact CD2-CG2 4.23Å; L114-I430 HydrophobicContact CG-CG2 4.46Å; L114-A434 HydrophobicContact CD1-CB 3.64Å; L114-A434 HydrophobicContact CD2-CB 3.77Å; L114-A434 HydrophobicContact CG-CB 4.37Å
115	T	97.9	Very high	94.5	Very high	8 Å²	8	43.2 Å²	43.2	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-43.3	176.7	-50.2	0	0	0	0	112	Y87 D111 R117 L118 I119 A151	Y87-T115 HydrophobicContact CD1-CG2 4.1Å; Y87-T115 HydrophobicContact CD2-CG2 3.52Å; Y87-T115 HydrophobicContact CE1-CG2 4.08Å; Y87-T115 HydrophobicContact CE2-CG2 3.54Å; Y87-T115 HydrophobicContact CG-CG2 3.78Å; D111-T115 PolarHBondContact O-N 2.96Å; D111-T115 PolarHBondContact O-OG1 3.42Å; D111-T115 VanDerWaalsContact O-OG1 3.04Å; T115-R117 VanDerWaalsContact C-N 3.25Å; T115-R117 PolarHBondContact O-N 3.04Å; T115-L118 WeakPolarHBondContact O-CB 3.41Å; T115-L118 PolarHBondContact O-N 2.81Å; T115-I119 HydrophobicContact CG2-CD1 4.03Å; T115-I119 WeakPolarHBondContact O-CG1 3.32Å; T115-I119 PolarHBondContact O-N 3.21Å; T115-A151 HydrophobicContact CG2-CB 3.53Å
116	A	98.2	Very high	95	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-40	175.5	0	0	0	0	0	111.7	I85 A112 L114 D120	I85-A116 HydrophobicContact CG2-CB 4.44Å; A112-A116 WeakPolarHBondContact O-CB 3.26Å; A112-A116 PolarHBondContact O-N 2.96Å; L114-A116 PolarHBondContact O-N 3.33Å; A116-D120 WeakPolarHBondContact O-CB 3.25Å; A116-D120 PolarHBondContact O-N 3.04Å
117	R	96.3	Very high	95.4	Very high	54 Å²	54	37.3 Å²	37.3	20%	0.204	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-44.1	174.5	-71.4	-175.2	65.9	175.9	-3.5	112.3	T113 L114 T115 I119 D120 R121 R427 R428	T113-R117 WeakPolarHBondContact O-CG 3.42Å; T113-R117 PolarHBondContact O-N 3.03Å; L114-R117 WeakPolarHBondContact O-CB 3.28Å; L114-R117 PolarHBondContact O-N 3.49Å; L114-R117 VanDerWaalsContact O-N 3.14Å; T115-R117 VanDerWaalsContact C-N 3.25Å; T115-R117 PolarHBondContact O-N 3.04Å; R117-I119 PolarHBondContact O-N 3.07Å; R117-D120 PolarHBondContact O-N 2.86Å; R117-D120 VanDerWaalsContact O-N 3.15Å; R117-R121 VanDerWaalsContact O-CD 3.25Å; R117-R121 WeakPolarHBondContact O-CD 3.49Å; R117-R121 WeakPolarHBondContact O-CG 3.45Å; R117-R121 PolarHBondContact O-N 2.81Å; R117-R427 WeakPolarHBondContact CD-O 3.31Å; R117-R427 PolarHBondContact NH1-O 3.04Å; R117-R428 PolarHBondContact NH1-O 2.88Å
118	L	96.8	Very high	95.6	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.068	17%	0.165	C	C	.	.	H	α-helix	trans	-54.4	-36.8	177.5	-174.4	72.8	0	0	0	111.6	L114 T115 P122 M152 M155 T202 M212 E214	L114-L118 WeakPolarHBondContact O-CB 3.4Å; L114-L118 PolarHBondContact O-N 3.35Å; T115-L118 WeakPolarHBondContact O-CB 3.41Å; T115-L118 PolarHBondContact O-N 2.81Å; L118-P122 WeakPolarHBondContact O-CD 3.41Å; L118-M152 HydrophobicContact CD2-CE 3.96Å; L118-M155 HydrophobicContact CD2-CE 4.22Å; L118-M155 HydrophobicContact CG-CE 3.82Å; L118-T202 HydrophobicContact CD1-CG2 4.07Å; L118-T202 HydrophobicContact CD2-CG2 4.2Å; L118-T202 HydrophobicContact CG-CG2 4.45Å; L118-M212 HydrophobicContact CD1-CE 3.55Å; L118-M212 HydrophobicContact CD1-SD 3.76Å; L118-M212 HydrophobicContact CG-CE 4.07Å; L118-E214 HydrophobicContact CD1-CB 4.26Å
119	I	98.4	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-80.5	-39.3	177	-63.1	168.6	0	0	0	112.3	I85 Y87 T115 R117 P122 I123 A154 M155	I85-I119 HydrophobicContact CD1-CG2 4.47Å; I85-I119 HydrophobicContact CG1-CG2 4.38Å; I85-I119 HydrophobicContact CG2-CB 3.97Å; I85-I119 HydrophobicContact CG2-CG2 3.77Å; Y87-I119 HydrophobicContact CD2-CD1 4.38Å; T115-I119 HydrophobicContact CG2-CD1 4.03Å; T115-I119 WeakPolarHBondContact O-CG1 3.32Å; T115-I119 PolarHBondContact O-N 3.21Å; R117-I119 PolarHBondContact O-N 3.07Å; I119-P122 VanDerWaalsContact O-CD 3.3Å; I119-P122 WeakPolarHBondContact O-CD 3.25Å; I119-I123 HydrophobicContact CG2-CD1 3.57Å; I119-I123 WeakPolarHBondContact O-CB 3.48Å; I119-I123 VanDerWaalsContact O-CG1 3.32Å; I119-I123 WeakPolarHBondContact O-CG1 3.49Å; I119-A154 HydrophobicContact CD1-CB 3.68Å; I119-M155 HydrophobicContact CG1-CB 3.89Å; I119-M155 HydrophobicContact CG1-CG 4.32Å
120	D	97	Very high	95.4	Very high	26 Å²	26	32.1 Å²	32.1	14%	0.139	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-46	179.3	-169.5	-47.5	0	0	0	111.5	I85 A116 R117 I123 R124	I85-D120 HydrophobicContact CB-CB 4.3Å; I85-D120 HydrophobicContact CG1-CB 3.66Å; A116-D120 WeakPolarHBondContact O-CB 3.25Å; A116-D120 PolarHBondContact O-N 3.04Å; R117-D120 PolarHBondContact O-N 2.86Å; R117-D120 VanDerWaalsContact O-N 3.15Å; D120-I123 PolarHBondContact O-N 3.34Å; D120-R124 WeakPolarHBondContact O-CB 3.41Å; D120-R124 PolarHBondContact O-N 2.86Å; D120-R124 IonicContact OD1-CZ 3.47Å; D120-R124 IonicContact OD1-NE 2.69Å; D120-R124 PolarHBondContact OD1-NE 3.41Å; D120-R124 IonicContact OD1-NH2 3.71Å; D120-R124 PolarHBondContact OD1-NH2 2.96Å; D120-R124 IonicContact OD2-CZ 3.05Å; D120-R124 IonicContact OD2-NH2 3.04Å; D120-R124 PolarHBondContact OD2-NH2 3.07Å
121	R	95	Very high	95.4	Very high	25 Å²	25	28.8 Å²	28.8	9%	0.094	15%	0.154	C	C	.	.	H	α-helix	trans	-50.9	-52.5	-175.6	-69	158.5	82	-134.1	-28.2	113.9	R117 P125 M212 V213 E214 M536 D537	R117-R121 VanDerWaalsContact O-CD 3.25Å; R117-R121 WeakPolarHBondContact O-CD 3.49Å; R117-R121 WeakPolarHBondContact O-CG 3.45Å; R117-R121 PolarHBondContact O-N 2.81Å; R121-P125 WeakPolarHBondContact O-CD 3.47Å; R121-P125 WeakPolarHBondContact O-CG 3.41Å; R121-M212 HydrophobicContact CB-CG 3.79Å; R121-M212 PolarHBondContact NH1-SD 3.3Å; R121-V213 PolarHBondContact NH2-O 2.96Å; R121-V213 VanDerWaalsContact NH2-O 3.16Å; R121-E214 IonicContact NH1-OE2 3.46Å; R121-E214 PolarHBondContact NH1-OE2 3.47Å; R121-M536 VanDerWaalsContact NH2-C 3.31Å; R121-M536 PolarHBondContact NH2-O 3.42Å; R121-D537 WeakPolarHBondContact CG-OD1 3.29Å; R121-D537 IonicContact CZ-OD1 2.72Å; R121-D537 IonicContact CZ-OD2 3.33Å; R121-D537 VanDerWaalsContact NE-CG 3.3Å; R121-D537 IonicContact NE-OD1 3.64Å; R121-D537 PolarHBondContact NE-OD1 3.2Å; R121-D537 IonicContact NE-OD2 2.77Å; R121-D537 PolarHBondContact NE-OD2 2.68Å; R121-D537 VanDerWaalsContact NH2-CG 3.26Å; R121-D537 IonicContact NH2-OD1 2.65Å; R121-D537 PolarHBondContact NH2-OD1 3.43Å; R121-D537 IonicContact NH2-OD2 3.05Å; R121-D537 PolarHBondContact NH2-OD2 2.91Å
122	P	96.7	Very high	95.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-79.8	-17.8	177.5	31.4	-37.2	0	0	0	114.4	L118 I119 M126 M155 I173 A204 N211 M212	L118-P122 WeakPolarHBondContact O-CD 3.41Å; I119-P122 VanDerWaalsContact O-CD 3.3Å; I119-P122 WeakPolarHBondContact O-CD 3.25Å; P122-M126 WeakPolarHBondContact O-CG 3.34Å; P122-M155 HydrophobicContact CG-CE 4.44Å; P122-M155 HydrophobicContact CG-SD 4.4Å; P122-I173 HydrophobicContact CB-CD1 4.26Å; P122-I173 HydrophobicContact CB-CG1 4.34Å; P122-I173 HydrophobicContact CG-CD1 4.12Å; P122-A204 HydrophobicContact CB-CB 3.96Å; P122-A204 HydrophobicContact CG-CB 4.09Å; P122-N211 WeakPolarHBondContact CB-OD1 3.15Å; P122-N211 PolarHBondContact O-ND2 3.45Å; P122-M212 HydrophobicContact CB-CB 3.92Å; P122-M212 HydrophobicContact CG-CB 4.29Å; P122-M212 HydrophobicContact CG-CE 4.49Å
123	I	97.4	Very high	95.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-84.7	-43.3	-178.2	-74.8	-178.1	0	0	0	111.5	L83 I85 I119 D120 M126 F127 L162 F169 I173	L83-I123 HydrophobicContact CD2-CG2 4.01Å; I85-I123 HydrophobicContact CD1-CD1 4.43Å; I119-I123 HydrophobicContact CG2-CD1 3.57Å; I119-I123 WeakPolarHBondContact O-CB 3.48Å; I119-I123 VanDerWaalsContact O-CG1 3.32Å; I119-I123 WeakPolarHBondContact O-CG1 3.49Å; D120-I123 PolarHBondContact O-N 3.34Å; I123-M126 WeakPolarHBondContact O-CB 3.16Å; I123-M126 PolarHBondContact O-N 2.95Å; I123-M126 VanDerWaalsContact O-N 3.09Å; I123-F127 HydrophobicContact CG2-CE2 3.81Å; I123-L162 HydrophobicContact CD1-CD1 4.3Å; I123-L162 HydrophobicContact CG2-CD1 3.66Å; I123-F169 HydrophobicContact CG2-CE2 4.02Å; I123-I173 HydrophobicContact CG1-CD1 4.16Å; I123-I173 HydrophobicContact CG1-CG1 3.98Å
124	R	95.7	Very high	95.5	Very high	86 Å²	86	28.5 Å²	28.5	33%	0.325	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-56.1	-43.9	-174.1	-179.5	177.4	-62.6	-85.5	-3.9	114	F81 L83 D120 M126 F127	F81-R124 HydrophobicContact CD1-CG 4.35Å; F81-R124 PolarHBondContact O-NH1 3.3Å; F81-R124 VanDerWaalsContact O-NH1 3.08Å; L83-R124 HydrophobicContact CD2-CB 3.92Å; L83-R124 HydrophobicContact CD2-CG 4.45Å; L83-R124 PolarHBondContact O-NH2 3.17Å; D120-R124 WeakPolarHBondContact O-CB 3.41Å; D120-R124 PolarHBondContact O-N 2.86Å; D120-R124 IonicContact OD1-CZ 3.47Å; D120-R124 IonicContact OD1-NE 2.69Å; D120-R124 PolarHBondContact OD1-NE 3.41Å; D120-R124 IonicContact OD1-NH2 3.71Å; D120-R124 PolarHBondContact OD1-NH2 2.96Å; D120-R124 IonicContact OD2-CZ 3.05Å; D120-R124 IonicContact OD2-NH2 3.04Å; D120-R124 PolarHBondContact OD2-NH2 3.07Å; R124-M126 PolarHBondContact O-N 3.3Å; R124-M126 VanDerWaalsContact O-N 3.15Å; R124-F127 PolarHBondContact O-N 3.49Å
125	P	93.9	Very high	95.6	Very high	28 Å²	28	26.8 Å²	26.8	18%	0.182	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-69.7	-8.5	-179.2	-17.2	31.8	0	0	0	113.9	R121 F127 I538	R121-P125 WeakPolarHBondContact O-CD 3.47Å; R121-P125 WeakPolarHBondContact O-CG 3.41Å; P125-F127 VanDerWaalsContact C-N 3.31Å; P125-I538 WeakPolarHBondContact CG-O 3.44Å
126	M	95.6	Very high	95.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-88.5	1	178.3	-50.5	-63.8	94	0	0	112.7	P122 I123 R124 F169 D170 I173 T206 N211 Q541	P122-M126 WeakPolarHBondContact O-CG 3.34Å; I123-M126 WeakPolarHBondContact O-CB 3.16Å; I123-M126 PolarHBondContact O-N 2.95Å; I123-M126 VanDerWaalsContact O-N 3.09Å; R124-M126 PolarHBondContact O-N 3.3Å; R124-M126 VanDerWaalsContact O-N 3.15Å; M126-F169 HydrophobicContact CB-CD2 3.85Å; M126-F169 HydrophobicContact CB-CE2 3.44Å; M126-F169 VanDerWaalsContact CB-CE2 3.44Å; M126-F169 HydrophobicContact CB-CZ 4.18Å; M126-F169 HydrophobicContact CG-CE2 4.01Å; M126-F169 HydrophobicContact CG-CZ 4.36Å; M126-D170 VanDerWaalsContact O-CB 3.32Å; M126-D170 WeakPolarHBondContact O-CB 3.33Å; M126-D170 PolarHBondContact O-N 2.87Å; M126-I173 HydrophobicContact CG-CG2 3.79Å; M126-I173 HydrophobicContact SD-CG2 3.81Å; M126-T206 HydrophobicContact CE-CG2 4.33Å; M126-T206 HydrophobicContact SD-CG2 3.61Å; M126-N211 WeakPolarHBondContact CE-ND2 3.29Å; M126-Q541 HydrophobicContact CE-CB 4.38Å; M126-Q541 HydrophobicContact CE-CG 4.37Å
127	F	95.9	Very high	95.7	Very high	12 Å²	12	29.4 Å²	29.4	5%	0.053	15%	0.15	C	C	.	.	S	Bend	trans	-92.7	142.3	170.7	-73.4	-93.5	0	0	0	109.5	F81 L83 I123 R124 P125 F131 V135 L162 I167 P168 F169	F81-F127 HydrophobicContact CD1-CB 4.15Å; F81-F127 HydrophobicContact CD1-CD2 4.5Å; F81-F127 HydrophobicContact CD1-CG 4.33Å; F81-F127 HydrophobicContact CE1-CB 3.63Å; F81-F127 AromaticContact CE1-CD1 3.96Å; F81-F127 HydrophobicContact CE1-CD1 3.96Å; F81-F127 AromaticContact CE1-CD2 3.37Å; F81-F127 HydrophobicContact CE1-CD2 3.37Å; F81-F127 HydrophobicContact CE1-CE1 4.47Å; F81-F127 AromaticContact CE1-CE2 3.94Å; F81-F127 HydrophobicContact CE1-CE2 3.94Å; F81-F127 AromaticContact CE1-CG 3.36Å; F81-F127 HydrophobicContact CE1-CG 3.36Å; F81-F127 HydrophobicContact CE1-CZ 4.46Å; F81-F127 HydrophobicContact CE2-CD1 4.31Å; F81-F127 HydrophobicContact CE2-CG 4.47Å; F81-F127 HydrophobicContact CZ-CB 4.05Å; F81-F127 AromaticContact CZ-CD1 3.53Å; F81-F127 HydrophobicContact CZ-CD1 3.53Å; F81-F127 AromaticContact CZ-CD2 3.68Å; F81-F127 HydrophobicContact CZ-CD2 3.68Å; F81-F127 AromaticContact CZ-CE1 3.79Å; F81-F127 HydrophobicContact CZ-CE1 3.79Å; F81-F127 AromaticContact CZ-CE2 3.92Å; F81-F127 HydrophobicContact CZ-CE2 3.92Å; F81-F127 AromaticContact CZ-CG 3.45Å; F81-F127 HydrophobicContact CZ-CG 3.45Å; F81-F127 VanDerWaalsContact CZ-CG 3.45Å; F81-F127 AromaticContact CZ-CZ 3.97Å; F81-F127 HydrophobicContact CZ-CZ 3.97Å; L83-F127 HydrophobicContact CD2-CE2 4.47Å; I123-F127 HydrophobicContact CG2-CE2 3.81Å; R124-F127 PolarHBondContact O-N 3.49Å; P125-F127 VanDerWaalsContact C-N 3.31Å; F127-F131 HydrophobicContact CD1-CD1 4.23Å; F127-F131 HydrophobicContact CD1-CD2 4.37Å; F127-F131 HydrophobicContact CD1-CE1 4.19Å; F127-F131 HydrophobicContact CD1-CE2 4.36Å; F127-F131 HydrophobicContact CD1-CG 4.3Å; F127-F131 HydrophobicContact CD1-CZ 4.27Å; F127-F131 HydrophobicContact CE1-CE1 4.43Å; F127-F131 HydrophobicContact CE1-CZ 4.4Å; F127-V135 HydrophobicContact CE1-CG2 4.09Å; F127-V135 HydrophobicContact CZ-CG1 4.15Å; F127-V135 HydrophobicContact CZ-CG2 4.43Å; F127-L162 HydrophobicContact CE2-CD1 4.28Å; F127-L162 HydrophobicContact CZ-CD1 4.1Å; F127-L162 HydrophobicContact CZ-CD2 4Å; F127-I167 HydrophobicContact CE1-CG2 3.96Å; F127-P168 WeakPolarHBondContact CD1-O 3.36Å; F127-P168 WeakPolarHBondContact CE1-O 3.41Å; F127-F169 HydrophobicContact CD2-CD2 4.11Å; F127-F169 HydrophobicContact CE1-CB 4.47Å; F127-F169 HydrophobicContact CE1-CD2 4.4Å; F127-F169 AromaticContact CE2-CD2 3.66Å; F127-F169 HydrophobicContact CE2-CD2 3.66Å; F127-F169 HydrophobicContact CE2-CE2 4.04Å; F127-F169 AromaticContact CZ-CD2 3.83Å; F127-F169 HydrophobicContact CZ-CD2 3.83Å
128	A	93.2	Very high	95.8	Very high	54 Å²	54	28.1 Å²	28.1	45%	0.446	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-60.8	146	179.5	0	0	0	0	0	111.6	G130 F131 L259	A128-G130 PolarHBondContact O-N 2.65Å; A128-F131 WeakPolarHBondContact O-CB 3.31Å; A128-F131 PolarHBondContact O-N 3.09Å; A128-F131 VanDerWaalsContact O-N 3.12Å; A128-L259 HydrophobicContact CB-CD1 3.98Å; A128-L259 HydrophobicContact CB-CD2 4.1Å
129	D	89.2	Confident	95.9	Very high	142 Å²	142	27.5 Å²	27.5	76%	0.759	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	141.6	169.2	-77.5	-16.5	0	0	0	110.3	F131	D129-F131 VanDerWaalsContact C-N 3.27Å; D129-F131 PolarHBondContact O-N 2.93Å
130	G	89.8	Confident	95.9	Very high	13 Å²	13	30.9 Å²	30.9	13%	0.134	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	1.9	-175.5	0	0	0	0	0	115.3	A128 R132 L260	A128-G130 PolarHBondContact O-N 2.65Å; G130-R132 PolarHBondContact O-N 3.09Å; G130-L260 PolarHBondContact O-N 3.07Å
131	F	93.9	Very high	96	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	15%	0.153	C	C	.	.			trans	-66.3	127.9	174.2	-162.8	-79.7	0	0	0	111.2	F81 F127 A128 D129 N133 V135 I167 P168 V257 L259	F81-F131 HydrophobicContact CD2-CB 4.49Å; F81-F131 AromaticContact CD2-CD1 3.62Å; F81-F131 HydrophobicContact CD2-CD1 3.62Å; F81-F131 HydrophobicContact CD2-CE1 4.38Å; F81-F131 AromaticContact CE2-CD1 3.31Å; F81-F131 HydrophobicContact CE2-CD1 3.31Å; F81-F131 AromaticContact CE2-CE1 3.67Å; F81-F131 HydrophobicContact CE2-CE1 3.67Å; F81-F131 HydrophobicContact CE2-CG 4.36Å; F81-F131 HydrophobicContact CZ-CD1 4.08Å; F81-F131 HydrophobicContact CZ-CE1 4.33Å; F127-F131 HydrophobicContact CD1-CD1 4.23Å; F127-F131 HydrophobicContact CD1-CD2 4.37Å; F127-F131 HydrophobicContact CD1-CE1 4.19Å; F127-F131 HydrophobicContact CD1-CE2 4.36Å; F127-F131 HydrophobicContact CD1-CG 4.3Å; F127-F131 HydrophobicContact CD1-CZ 4.27Å; F127-F131 HydrophobicContact CE1-CE1 4.43Å; F127-F131 HydrophobicContact CE1-CZ 4.4Å; A128-F131 WeakPolarHBondContact O-CB 3.31Å; A128-F131 PolarHBondContact O-N 3.09Å; A128-F131 VanDerWaalsContact O-N 3.12Å; D129-F131 VanDerWaalsContact C-N 3.27Å; D129-F131 PolarHBondContact O-N 2.93Å; F131-N133 HydrophobicContact CD1-CB 4.4Å; F131-N133 HydrophobicContact CE1-CB 3.61Å; F131-N133 WeakPolarHBondContact CE1-O 3.3Å; F131-N133 HydrophobicContact CZ-CB 3.95Å; F131-V135 HydrophobicContact CE1-CG2 3.76Å; F131-V135 HydrophobicContact CZ-CG2 4.3Å; F131-I167 HydrophobicContact CZ-CG2 4.19Å; F131-P168 HydrophobicContact CE2-CB 4.08Å; F131-P168 HydrophobicContact CE2-CG 4.13Å; F131-V257 HydrophobicContact CD2-CG2 4.02Å; F131-V257 HydrophobicContact CE2-CB 4.26Å; F131-V257 HydrophobicContact CE2-CG1 3.89Å; F131-V257 HydrophobicContact CE2-CG2 3.86Å; F131-V257 HydrophobicContact CZ-CG1 4.27Å; F131-L259 HydrophobicContact CB-CD2 4.16Å; F131-L259 HydrophobicContact CD2-CD2 4.1Å
132	R	94	Very high	96.1	Very high	32 Å²	32	32.1 Å²	32.1	12%	0.121	17%	0.166	C	C	.	.			trans	-132.8	1.5	-174	-69.6	-62.8	-177.2	-80.2	-2.6	115.1	A75 K76 T78 D79 G130	A75-R132 HydrophobicContact CB-CB 3.94Å; K76-R132 PolarHBondContact N-O 3.39Å; T78-R132 VanDerWaalsContact O-CD 3.31Å; T78-R132 WeakPolarHBondContact O-CD 3.43Å; T78-R132 PolarHBondContact O-NE 3.31Å; D79-R132 PolarHBondContact O-NH2 2.75Å; D79-R132 VanDerWaalsContact O-NH2 3.09Å; G130-R132 PolarHBondContact O-N 3.09Å
133	N	96.5	Very high	96.2	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.032	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	137	168.2	-61.6	62.8	0	0	0	108.9	S72 K73 F81 F131 V135	S72-N133 PolarHBondContact O-ND2 2.91Å; K73-N133 PolarHBondContact O-ND2 3.18Å; F81-N133 WeakPolarHBondContact CE2-O 3.47Å; F131-N133 HydrophobicContact CD1-CB 4.4Å; F131-N133 HydrophobicContact CE1-CB 3.61Å; F131-N133 WeakPolarHBondContact CE1-O 3.3Å; F131-N133 HydrophobicContact CZ-CB 3.95Å; N133-V135 PolarHBondContact O-N 3.29Å
134	E	97.7	Very high	96.3	Very high	56 Å²	56	35.1 Å²	35.1	26%	0.262	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	125.9	174.4	-179	-178.2	175.1	0	0	108.7	A71 S72 K76 P82 Q136	A71-E134 CarbonylContact C-O 3.47Å; A71-E134 WeakPolarHBondContact CA-O 3.23Å; S72-E134 PolarHBondContact N-O 3.4Å; S72-E134 PolarHBondContact OG-N 2.95Å; K76-E134 WeakPolarHBondContact CE-OE2 3.25Å; K76-E134 HydrophobicContact CG-CB 4.08Å; K76-E134 IonicContact NZ-OE2 2.69Å; K76-E134 PolarHBondContact NZ-OE2 2.99Å; P82-E134 HydrophobicContact CB-CB 4.38Å; P82-E134 HydrophobicContact CB-CG 4.34Å; P82-E134 HydrophobicContact CG-CB 4.17Å; P82-E134 WeakPolarHBondContact O-CA 3.4Å; E134-Q136 HydrophobicContact CG-CG 4.48Å; E134-Q136 PolarHBondContact OE1-NE2 3.45Å
135	V	98.7	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.9	178.5	177.7	0	0	0	0	108.8	V70 A71 F81 P82 L83 T84 F127 F131 N133 V137 L162 I167	V70-V135 WeakPolarHBondContact O-CA 3.35Å; A71-V135 HydrophobicContact CB-CG2 4.21Å; F81-V135 HydrophobicContact CE2-CB 4.25Å; F81-V135 HydrophobicContact CE2-CG2 3.91Å; F81-V135 HydrophobicContact CZ-CB 4.15Å; F81-V135 HydrophobicContact CZ-CG2 4.02Å; P82-V135 PolarHBondContact O-N 2.97Å; L83-V135 CarbonylContact C-O 3.51Å; L83-V135 WeakPolarHBondContact CA-O 3.45Å; L83-V135 HydrophobicContact CD1-CB 3.9Å; L83-V135 HydrophobicContact CD1-CG1 3.71Å; T84-V135 PolarHBondContact N-O 2.8Å; F127-V135 HydrophobicContact CE1-CG2 4.09Å; F127-V135 HydrophobicContact CZ-CG1 4.15Å; F127-V135 HydrophobicContact CZ-CG2 4.43Å; F131-V135 HydrophobicContact CE1-CG2 3.76Å; F131-V135 HydrophobicContact CZ-CG2 4.3Å; N133-V135 PolarHBondContact O-N 3.29Å; V135-V137 HydrophobicContact CG1-CG2 4.43Å; V135-L162 HydrophobicContact CG1-CD2 3.98Å; V135-I167 HydrophobicContact CG2-CG2 4.2Å
136	Q	98.7	Very high	96.4	Very high	67 Å²	67	36.5 Å²	36.5	31%	0.313	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.8	173.3	-55.9	-175	-3.7	0	0	109.7	A69 V70 T84 E134	A69-Q136 CarbonylContact C-O 3.36Å; A69-Q136 WeakPolarHBondContact CA-O 3.38Å; V70-Q136 HydrophobicContact CG2-CB 3.81Å; V70-Q136 PolarHBondContact N-O 3.01Å; V70-Q136 PolarHBondContact O-N 3.36Å; T84-Q136 WeakPolarHBondContact O-CA 3.41Å; E134-Q136 HydrophobicContact CG-CG 4.48Å; E134-Q136 PolarHBondContact OE1-NE2 3.45Å
137	V	98.9	Very high	96.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.8	170	-171.9	0	0	0	0	108.2	A68 A69 T84 I85 N86 V135 S158 L162	A68-V137 WeakPolarHBondContact O-CA 3.42Å; A69-V137 HydrophobicContact CB-CG2 4.12Å; T84-V137 PolarHBondContact O-N 3.12Å; I85-V137 HydrophobicContact CD1-CB 3.71Å; I85-V137 HydrophobicContact CD1-CG2 3.85Å; N86-V137 PolarHBondContact N-O 3.42Å; V135-V137 HydrophobicContact CG1-CG2 4.43Å; V137-S158 WeakPolarHBondContact CG1-OG 3.4Å; V137-L162 HydrophobicContact CG2-CD1 4Å; V137-L162 HydrophobicContact CG2-CD2 4.01Å; V137-L162 HydrophobicContact CG2-CG 3.99Å
138	T	98.8	Very high	96.6	Very high	27 Å²	27	38.6 Å²	38.6	17%	0.166	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125	-179.9	-55.9	0	0	0	0	110.3	S67 A68 N86 E88 F140	S67-T138 WeakPolarHBondContact CA-O 3.39Å; A68-T138 PolarHBondContact N-O 2.94Å; A68-T138 PolarHBondContact O-N 2.72Å; N86-T138 HydrophobicContact CB-CG2 4.07Å; N86-T138 PolarHBondContact ND2-OG1 3.24Å; E88-T138 HydrophobicContact CG-CG2 4.04Å; T138-F140 HydrophobicContact CG2-CD2 4.07Å; T138-F140 HydrophobicContact CG2-CE1 4.25Å; T138-F140 HydrophobicContact CG2-CE2 3.46Å; T138-F140 VanDerWaalsContact CG2-CE2 3.46Å; T138-F140 HydrophobicContact CG2-CZ 3.56Å
139	N	98.9	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.6	-179.5	-62.1	-78.1	0	0	0	109.8	V65 L66 S67 N86 Y87 E88 A154 S158	V65-N139 HydrophobicContact CG1-CB 4.08Å; L66-N139 CarbonylContact O-C 3.56Å; L66-N139 WeakPolarHBondContact O-CA 3.25Å; S67-N139 VanDerWaalsContact CB-OD1 3.31Å; S67-N139 WeakPolarHBondContact CB-OD1 3.44Å; S67-N139 PolarHBondContact OG-OD1 2.97Å; N86-N139 WeakPolarHBondContact O-CB 3.46Å; N86-N139 PolarHBondContact O-N 2.82Å; N86-N139 PolarHBondContact O-ND2 3.14Å; Y87-N139 HydrophobicContact CD2-CB 4.17Å; E88-N139 WeakPolarHBondContact CB-O 3.38Å; E88-N139 PolarHBondContact N-O 3.16Å; N139-A154 HydrophobicContact CB-CB 3.88Å; N139-A154 PolarHBondContact OD1-O 2.85Å; N139-S158 VanDerWaalsContact CG-OG 3.29Å; N139-S158 PolarHBondContact ND2-OG 2.8Å; N139-S158 PolarHBondContact OD1-OG 3.08Å
140	F	98.5	Very high	97.2	Very high	71 Å²	71	31.6 Å²	31.6	31%	0.311	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	115.4	174.4	-64.2	-84.5	0	0	0	110.1	V65 L66 E88 T138 M142	V65-F140 WeakPolarHBondContact CA-O 3.29Å; L66-F140 HydrophobicContact CB-CB 4.35Å; L66-F140 HydrophobicContact CD2-CD2 4.38Å; L66-F140 PolarHBondContact N-O 2.95Å; L66-F140 PolarHBondContact O-N 2.98Å; E88-F140 HydrophobicContact CB-CD1 3.79Å; E88-F140 HydrophobicContact CB-CE1 4.17Å; E88-F140 HydrophobicContact CB-CG 4.46Å; E88-F140 HydrophobicContact CG-CD1 4.13Å; E88-F140 HydrophobicContact CG-CE1 4.01Å; T138-F140 HydrophobicContact CG2-CD2 4.07Å; T138-F140 HydrophobicContact CG2-CE1 4.25Å; T138-F140 HydrophobicContact CG2-CE2 3.46Å; T138-F140 VanDerWaalsContact CG2-CE2 3.46Å; T138-F140 HydrophobicContact CG2-CZ 3.56Å; F140-M142 HydrophobicContact CB-CG 4.19Å; F140-M142 PolarHBondContact O-N 3.16Å
141	V	98.6	Very high	97.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	112.9	171.5	-171.4	0	0	0	0	108.1	V65 Y87 E88 K90 A93 V144 P150 L397	V65-V141 HydrophobicContact CG2-CG2 4.48Å; Y87-V141 HydrophobicContact CD2-CG2 4.34Å; Y87-V141 HydrophobicContact CE1-CG2 3.93Å; Y87-V141 HydrophobicContact CE2-CG2 3.58Å; Y87-V141 WeakPolarHBondContact OH-CG2 3.41Å; E88-V141 PolarHBondContact O-N 3.01Å; K90-V141 WeakPolarHBondContact CB-O 3.22Å; A93-V141 HydrophobicContact CB-CG1 4.28Å; V141-V144 HydrophobicContact CG1-CG2 3.48Å; V141-V144 VanDerWaalsContact CG1-CG2 3.48Å; V141-P150 HydrophobicContact CG1-CB 3.78Å; V141-P150 HydrophobicContact CG2-CB 4.28Å; V141-L397 HydrophobicContact CB-CD1 3.98Å; V141-L397 HydrophobicContact CG1-CD1 3.68Å; V141-L397 HydrophobicContact CG2-CD1 4.39Å
142	M	98	Very high	97.8	Very high	76 Å²	76	31.7 Å²	31.7	37%	0.374	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-23.6	-170.3	-60.5	-172.7	72.3	0	0	113.9	L57 V64 L66 Y92 A93 F140	L57-M142 HydrophobicContact CD1-SD 4.38Å; V64-M142 HydrophobicContact CB-CB 4.48Å; V64-M142 HydrophobicContact CG1-CB 4.45Å; V64-M142 PolarHBondContact O-N 3.23Å; L66-M142 HydrophobicContact CB-SD 4Å; Y92-M142 HydrophobicContact CE2-CB 4.4Å; A93-M142 WeakPolarHBondContact CA-O 3.22Å; F140-M142 HydrophobicContact CB-CG 4.19Å; F140-M142 PolarHBondContact O-N 3.16Å
143	S	98.6	Very high	98	Very high	42 Å²	42	30.2 Å²	30.2	29%	0.294	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	144.2	176.3	-176.6	0	0	0	0	108	D62 T63 V64	D62-S143 VanDerWaalsContact O-CB 3.29Å; D62-S143 WeakPolarHBondContact O-CB 3.34Å; D62-S143 PolarHBondContact O-OG 3.2Å; T63-S143 CarbonylContact C-O 3.6Å; T63-S143 VanDerWaalsContact CA-O 3.3Å; T63-S143 WeakPolarHBondContact CA-O 3.48Å; V64-S143 PolarHBondContact N-O 2.82Å; V64-S143 PolarHBondContact O-N 2.91Å
144	V	98.3	Very high	98.1	Very high	22 Å²	22	29.9 Å²	29.9	13%	0.133	16%	0.157	C	C	.	.			trans	-132.5	119.2	178.2	177.7	0	0	0	0	110.2	A93 V94 V141 P150 L397	A93-V144 HydrophobicContact CB-CG2 4.12Å; A93-V144 PolarHBondContact O-N 2.71Å; A93-V144 VanDerWaalsContact O-N 3.07Å; V94-V144 HydrophobicContact CG1-CB 3.77Å; V94-V144 HydrophobicContact CG1-CG1 4.3Å; V94-V144 HydrophobicContact CG1-CG2 4.24Å; V141-V144 HydrophobicContact CG1-CG2 3.48Å; V141-V144 VanDerWaalsContact CG1-CG2 3.48Å; V144-P150 HydrophobicContact CG2-CB 4.36Å; V144-P150 HydrophobicContact CG2-CG 4.25Å; V144-L397 HydrophobicContact CG2-CB 4.38Å; V144-L397 HydrophobicContact CG2-CD1 4.16Å
145	E	97.7	Very high	98.2	Very high	62 Å²	62	27.3 Å²	27.3	29%	0.29	15%	0.145	S	C	.	.			trans	-94.8	126.6	157.5	179.2	-172.6	172.1	0	0	107.7	G61 D62 T63 D147 C148	G61-E145 WeakPolarHBondContact CA-OE2 3.33Å; D62-E145 HydrophobicContact CB-CB 4.07Å; D62-E145 PolarHBondContact N-OE2 2.92Å; T63-E145 PolarHBondContact OG1-N 3.12Å; T63-E145 PolarHBondContact OG1-O 2.95Å; T63-E145 VanDerWaalsContact OG1-O 3.09Å; E145-D147 VanDerWaalsContact C-N 3.26Å; E145-D147 PolarHBondContact O-N 2.75Å; E145-C148 HydrophobicContact CB-CB 4.18Å; E145-C148 VanDerWaalsContact CD-SG 3.55Å; E145-C148 CarbonylContact O-C 3.6Å; E145-C148 PolarHBondContact O-N 3.28Å; E145-C148 PolarHBondContact OE2-SG 2.87Å
146	Q	95.5	Very high	98.2	Very high	81 Å²	81	27.3 Å²	27.3	38%	0.379	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.7	-167.3	-65	-62.5	-34.3	0	0	113.9	C148 V191 L397 T399	Q146-C148 VanDerWaalsContact C-N 3.31Å; Q146-V191 HydrophobicContact CB-CG2 3.82Å; Q146-L397 PolarHBondContact NE2-O 3.35Å; Q146-T399 HydrophobicContact CB-CG2 4.23Å; Q146-T399 HydrophobicContact CG-CG2 4.06Å
147	D	97.1	Very high	98.2	Very high	58 Å²	58	24.1 Å²	24.1	31%	0.31	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-24.6	176.2	-67.9	-30.9	0	0	0	112	R39 E145 T190 V191	R39-D147 VanDerWaalsContact CZ-O 3.23Å; R39-D147 PolarHBondContact NH1-O 3.26Å; R39-D147 PolarHBondContact NH2-O 3.28Å; E145-D147 VanDerWaalsContact C-N 3.26Å; E145-D147 PolarHBondContact O-N 2.75Å; D147-T190 HydrophobicContact CB-CG2 4.2Å; D147-T190 WeakPolarHBondContact OD1-CA 3.31Å; D147-T190 VanDerWaalsContact OD1-CB 3.26Å; D147-T190 WeakPolarHBondContact OD1-CB 3.48Å; D147-V191 WeakPolarHBondContact OD1-CG2 3.32Å; D147-V191 PolarHBondContact OD1-N 3.07Å
148	C	98	Very high	98.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-100	94.7	-173.7	-65.3	0	0	0	0	111.4	R39 Y60 T63 E145 Q146 P150	R39-C148 PolarHBondContact NH1-SG 3.14Å; Y60-C148 HydrophobicContact CD1-CB 3.72Å; Y60-C148 HydrophobicContact CE1-CB 4.13Å; Y60-C148 HydrophobicContact CG-CB 4.07Å; Y60-C148 WeakPolarHBondContact O-CB 3.4Å; Y60-C148 PolarHBondContact O-SG 3.35Å; Y60-C148 VanDerWaalsContact O-SG 3.4Å; T63-C148 VanDerWaalsContact CB-O 3.26Å; T63-C148 WeakPolarHBondContact CB-O 3.27Å; T63-C148 WeakPolarHBondContact CG2-O 3.45Å; T63-C148 WeakPolarHBondContact OG1-CB 3.45Å; T63-C148 PolarHBondContact OG1-O 3.1Å; E145-C148 HydrophobicContact CB-CB 4.18Å; E145-C148 VanDerWaalsContact CD-SG 3.55Å; E145-C148 CarbonylContact O-C 3.6Å; E145-C148 PolarHBondContact O-N 3.28Å; E145-C148 PolarHBondContact OE2-SG 2.87Å; Q146-C148 VanDerWaalsContact C-N 3.31Å; C148-P150 WeakPolarHBondContact O-CD 3.15Å
149	S	96.7	Very high	98.2	Very high	26 Å²	26	22.8 Å²	22.8	18%	0.182	12%	0.122	C	C	.	.			trans	-51.9	115.9	-175.6	175.7	0	0	0	0	113.6	A151 M152 A153	S149-A151 VanDerWaalsContact C-N 3.27Å; S149-A151 PolarHBondContact O-N 3.17Å; S149-M152 PolarHBondContact O-N 3.45Å; S149-M152 PolarHBondContact OG-N 2.91Å; S149-A153 PolarHBondContact O-N 3.4Å; S149-A153 VanDerWaalsContact O-N 3.1Å
150	P	98.2	Very high	98.2	Very high	23 Å²	23	22.8 Å²	22.8	15%	0.149	12%	0.122	C	C	.	.	H	α-helix	trans	-69.1	-27.1	174.2	27.5	-33.7	0	0	0	112.2	T63 V65 Y87 V141 V144 C148 A153 A154	T63-P150 HydrophobicContact CG2-CB 3.77Å; V65-P150 HydrophobicContact CG2-CB 4.32Å; Y87-P150 WeakPolarHBondContact OH-CB 3.48Å; Y87-P150 WeakPolarHBondContact OH-CG 3.36Å; V141-P150 HydrophobicContact CG1-CB 3.78Å; V141-P150 HydrophobicContact CG2-CB 4.28Å; V144-P150 HydrophobicContact CG2-CB 4.36Å; V144-P150 HydrophobicContact CG2-CG 4.25Å; C148-P150 WeakPolarHBondContact O-CD 3.15Å; P150-A153 PolarHBondContact O-N 3.08Å; P150-A154 VanDerWaalsContact O-CB 3.23Å; P150-A154 WeakPolarHBondContact O-CB 3.39Å; P150-A154 PolarHBondContact O-N 2.9Å
151	A	97.9	Very high	98.2	Very high	15 Å²	15	19.4 Å²	19.4	12%	0.124	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-46.2	173.7	0	0	0	0	0	111.3	T115 S149 A154 M155	T115-A151 HydrophobicContact CG2-CB 3.53Å; S149-A151 VanDerWaalsContact C-N 3.27Å; S149-A151 PolarHBondContact O-N 3.17Å; A151-A154 PolarHBondContact O-N 2.84Å; A151-M155 PolarHBondContact O-N 2.79Å
152	M	98.1	Very high	98.2	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-47	175.8	-71	-55.6	104.9	0	0	111.2	W36 L118 S149 A154 M155 F156 D177 T202	W36-M152 HydrophobicContact CH2-CB 3.55Å; W36-M152 WeakPolarHBondContact CH2-O 3.4Å; W36-M152 HydrophobicContact CZ2-CB 4.12Å; W36-M152 HydrophobicContact CZ3-CB 4.07Å; L118-M152 HydrophobicContact CD2-CE 3.96Å; S149-M152 PolarHBondContact O-N 3.45Å; S149-M152 PolarHBondContact OG-N 2.91Å; M152-A154 VanDerWaalsContact C-N 3.25Å; M152-A154 PolarHBondContact O-N 2.83Å; M152-M155 HydrophobicContact CE-CE 4.09Å; M152-M155 PolarHBondContact O-N 3.01Å; M152-M155 VanDerWaalsContact O-N 3.12Å; M152-F156 PolarHBondContact O-N 2.92Å; M152-D177 VanDerWaalsContact CG-OD2 3.26Å; M152-D177 WeakPolarHBondContact CG-OD2 3.36Å; M152-T202 HydrophobicContact CE-CG2 3.47Å; M152-T202 VanDerWaalsContact CE-CG2 3.47Å; M152-T202 HydrophobicContact SD-CG2 4.21Å
153	A	98.7	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.8	-38.1	176.1	0	0	0	0	0	112.5	V58 T63 V65 S149 P150 G157	V58-A153 HydrophobicContact CG1-CB 4.07Å; T63-A153 HydrophobicContact CG2-CB 4.45Å; V65-A153 HydrophobicContact CB-CB 4.34Å; V65-A153 HydrophobicContact CG2-CB 3.85Å; S149-A153 PolarHBondContact O-N 3.4Å; S149-A153 VanDerWaalsContact O-N 3.1Å; P150-A153 PolarHBondContact O-N 3.08Å; A153-G157 PolarHBondContact O-N 2.79Å
154	A	98.9	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69.3	-38.9	175.1	0	0	0	0	0	113.1	V65 Y87 I119 N139 P150 A151 M152 G157 S158	V65-A154 HydrophobicContact CG1-CB 3.96Å; Y87-A154 HydrophobicContact CD2-CB 3.76Å; Y87-A154 HydrophobicContact CE2-CB 3.61Å; I119-A154 HydrophobicContact CD1-CB 3.68Å; N139-A154 HydrophobicContact CB-CB 3.88Å; N139-A154 PolarHBondContact OD1-O 2.85Å; P150-A154 VanDerWaalsContact O-CB 3.23Å; P150-A154 WeakPolarHBondContact O-CB 3.39Å; P150-A154 PolarHBondContact O-N 2.9Å; A151-A154 PolarHBondContact O-N 2.84Å; M152-A154 VanDerWaalsContact C-N 3.25Å; M152-A154 PolarHBondContact O-N 2.83Å; A154-G157 PolarHBondContact O-N 2.97Å; A154-S158 VanDerWaalsContact O-CB 3.24Å; A154-S158 WeakPolarHBondContact O-CB 3.37Å; A154-S158 PolarHBondContact O-N 3.02Å; A154-S158 PolarHBondContact O-OG 2.82Å
155	M	98.8	Very high	98.3	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-62.5	-51.1	174.7	-172.5	-176	-69	0	0	111	L118 I119 P122 A151 M152 G157 S158 S159 I173 A204 M212	L118-M155 HydrophobicContact CD2-CE 4.22Å; L118-M155 HydrophobicContact CG-CE 3.82Å; I119-M155 HydrophobicContact CG1-CB 3.89Å; I119-M155 HydrophobicContact CG1-CG 4.32Å; P122-M155 HydrophobicContact CG-CE 4.44Å; P122-M155 HydrophobicContact CG-SD 4.4Å; A151-M155 PolarHBondContact O-N 2.79Å; M152-M155 HydrophobicContact CE-CE 4.09Å; M152-M155 PolarHBondContact O-N 3.01Å; M152-M155 VanDerWaalsContact O-N 3.12Å; M155-G157 VanDerWaalsContact C-N 3.34Å; M155-G157 PolarHBondContact O-N 2.85Å; M155-S158 PolarHBondContact O-N 2.87Å; M155-S159 PolarHBondContact O-N 2.78Å; M155-I173 HydrophobicContact CG-CD1 3.78Å; M155-I173 HydrophobicContact SD-CD1 4.22Å; M155-A204 HydrophobicContact CE-CB 4.35Å; M155-A204 HydrophobicContact SD-CB 3.71Å; M155-M212 HydrophobicContact CE-CE 3.78Å
156	F	98.9	Very high	98.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.9	-47.2	176	-179.7	-82.4	0	0	0	111.1	W36 L41 V43 V58 M152 S158 S159 L160 M239 F242 Q243	W36-F156 HydrophobicContact CH2-CB 3.85Å; W36-F156 HydrophobicContact CH2-CG 4.48Å; W36-F156 HydrophobicContact CZ3-CB 4.39Å; L41-F156 HydrophobicContact CD2-CD2 4.46Å; L41-F156 HydrophobicContact CD2-CE1 4.28Å; L41-F156 HydrophobicContact CD2-CE2 4.05Å; L41-F156 HydrophobicContact CD2-CZ 3.96Å; V43-F156 HydrophobicContact CG2-CE1 3.64Å; V43-F156 HydrophobicContact CG2-CZ 4.22Å; V58-F156 HydrophobicContact CG1-CD1 4.24Å; V58-F156 HydrophobicContact CG2-CD1 4.05Å; M152-F156 PolarHBondContact O-N 2.92Å; F156-S158 PolarHBondContact O-N 3.44Å; F156-S159 PolarHBondContact O-N 2.63Å; F156-L160 HydrophobicContact CE1-CD2 3.85Å; F156-L160 HydrophobicContact CZ-CD2 4.35Å; F156-L160 WeakPolarHBondContact O-CB 3.46Å; F156-L160 PolarHBondContact O-N 3.03Å; F156-M239 HydrophobicContact CE2-CB 4.38Å; F156-F242 HydrophobicContact CE2-CD1 4.28Å; F156-F242 AromaticContact CZ-CD1 3.82Å; F156-F242 HydrophobicContact CZ-CD1 3.82Å; F156-F242 HydrophobicContact CZ-CE1 4.06Å; F156-Q243 HydrophobicContact CD2-CG 4.24Å; F156-Q243 HydrophobicContact CE1-CG 4.3Å; F156-Q243 HydrophobicContact CE2-CG 3.47Å; F156-Q243 VanDerWaalsContact CE2-CG 3.47Å; F156-Q243 HydrophobicContact CZ-CG 3.49Å; F156-Q243 VanDerWaalsContact CZ-CG 3.49Å
157	G	98.9	Very high	98.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65	-37.4	179.3	0	0	0	0	0	113.5	V56 S67 A153 A154 M155 A161	V56-G157 WeakPolarHBondContact CG2-O 3.47Å; S67-G157 VanDerWaalsContact CB-O 3.31Å; S67-G157 WeakPolarHBondContact CB-O 3.3Å; S67-G157 VanDerWaalsContact OG-C 3.29Å; S67-G157 WeakPolarHBondContact OG-CA 3.49Å; A153-G157 PolarHBondContact O-N 2.79Å; A154-G157 PolarHBondContact O-N 2.97Å; M155-G157 VanDerWaalsContact C-N 3.34Å; M155-G157 PolarHBondContact O-N 2.85Å; G157-A161 WeakPolarHBondContact O-CB 3.41Å; G157-A161 PolarHBondContact O-N 2.88Å
158	S	98.9	Very high	98.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64	-49.1	176.6	-65.8	0	0	0	0	111.6	V137 N139 A154 M155 F156 A161 L162	V137-S158 WeakPolarHBondContact CG1-OG 3.4Å; N139-S158 VanDerWaalsContact CG-OG 3.29Å; N139-S158 PolarHBondContact ND2-OG 2.8Å; N139-S158 PolarHBondContact OD1-OG 3.08Å; A154-S158 VanDerWaalsContact O-CB 3.24Å; A154-S158 WeakPolarHBondContact O-CB 3.37Å; A154-S158 PolarHBondContact O-N 3.02Å; A154-S158 PolarHBondContact O-OG 2.82Å; M155-S158 PolarHBondContact O-N 2.87Å; F156-S158 PolarHBondContact O-N 3.44Å; S158-A161 PolarHBondContact O-N 3.22Å; S158-L162 WeakPolarHBondContact O-CG 3.24Å; S158-L162 PolarHBondContact O-N 3.44Å; S158-L162 VanDerWaalsContact O-N 3.13Å
159	S	98.9	Very high	98.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.3	-49.6	176.2	179.9	0	0	0	0	111.3	M155 F156 L162 A163 P172 I173 Q243	M155-S159 PolarHBondContact O-N 2.78Å; F156-S159 PolarHBondContact O-N 2.63Å; S159-L162 PolarHBondContact O-N 3.33Å; S159-A163 WeakPolarHBondContact O-CB 3.41Å; S159-A163 PolarHBondContact O-N 2.73Å; S159-P172 WeakPolarHBondContact OG-CA 3.44Å; S159-P172 WeakPolarHBondContact OG-CB 3.4Å; S159-I173 WeakPolarHBondContact CB-O 3.47Å; S159-I173 PolarHBondContact OG-N 3.41Å; S159-I173 PolarHBondContact OG-O 3.16Å; S159-Q243 PolarHBondContact OG-OE1 3.12Å; S159-Q243 VanDerWaalsContact OG-OE1 3.07Å
160	L	98.9	Very high	98.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-69.2	-38.4	-177.9	-173.7	59	0	0	0	112.6	V43 V56 F156 L162 A163 I164 Q243 I246 V247	V43-L160 HydrophobicContact CB-CD2 4.48Å; V43-L160 HydrophobicContact CG1-CD2 3.62Å; V43-L160 HydrophobicContact CG2-CD2 4.21Å; V56-L160 HydrophobicContact CG1-CB 4.47Å; V56-L160 HydrophobicContact CG1-CD2 4.08Å; V56-L160 HydrophobicContact CG1-CG 3.97Å; F156-L160 HydrophobicContact CE1-CD2 3.85Å; F156-L160 HydrophobicContact CZ-CD2 4.35Å; F156-L160 WeakPolarHBondContact O-CB 3.46Å; F156-L160 PolarHBondContact O-N 3.03Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 3.18Å; L160-A163 PolarHBondContact O-N 3.41Å; L160-I164 HydrophobicContact CD1-CG2 3.75Å; L160-I164 HydrophobicContact CG-CG2 4.22Å; L160-I164 WeakPolarHBondContact O-CG1 3.46Å; L160-I164 WeakPolarHBondContact O-CG2 3.32Å; L160-I164 PolarHBondContact O-N 3.04Å; L160-Q243 HydrophobicContact CB-CG 4.35Å; L160-Q243 HydrophobicContact CD1-CB 4.05Å; L160-Q243 HydrophobicContact CD1-CG 4.09Å; L160-I246 HydrophobicContact CD1-CB 4.12Å; L160-I246 HydrophobicContact CD1-CG2 4.01Å; L160-I246 HydrophobicContact CD2-CD1 3.77Å; L160-I246 HydrophobicContact CD2-CG2 4.24Å; L160-V247 HydrophobicContact CD1-CG2 4.04Å
161	A	98.9	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.6	-42.2	175.6	0	0	0	0	0	111.5	G54 V56 A69 G157 S158 S165	G54-A161 WeakPolarHBondContact CA-O 3.38Å; V56-A161 HydrophobicContact CG2-CB 4.32Å; A69-A161 HydrophobicContact CB-CB 4.15Å; G157-A161 WeakPolarHBondContact O-CB 3.41Å; G157-A161 PolarHBondContact O-N 2.88Å; S158-A161 PolarHBondContact O-N 3.22Å; A161-S165 VanDerWaalsContact O-CB 3.29Å; A161-S165 WeakPolarHBondContact O-CB 3.1Å; A161-S165 PolarHBondContact O-N 3.14Å
162	L	98.9	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.1	-46.5	172.5	-72.1	168.6	0	0	0	111.3	A69 I123 F127 V135 V137 S158 S159 L160 I164 S165 I167 F169 K254	A69-L162 HydrophobicContact CB-CD2 3.78Å; A69-L162 HydrophobicContact CB-CG 4.16Å; I123-L162 HydrophobicContact CD1-CD1 4.3Å; I123-L162 HydrophobicContact CG2-CD1 3.66Å; F127-L162 HydrophobicContact CE2-CD1 4.28Å; F127-L162 HydrophobicContact CZ-CD1 4.1Å; F127-L162 HydrophobicContact CZ-CD2 4Å; V135-L162 HydrophobicContact CG1-CD2 3.98Å; V137-L162 HydrophobicContact CG2-CD1 4Å; V137-L162 HydrophobicContact CG2-CD2 4.01Å; V137-L162 HydrophobicContact CG2-CG 3.99Å; S158-L162 WeakPolarHBondContact O-CG 3.24Å; S158-L162 PolarHBondContact O-N 3.44Å; S158-L162 VanDerWaalsContact O-N 3.13Å; S159-L162 PolarHBondContact O-N 3.33Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 3.18Å; L162-I164 PolarHBondContact O-N 3.28Å; L162-S165 WeakPolarHBondContact O-CB 3.33Å; L162-S165 PolarHBondContact O-N 3.09Å; L162-S165 VanDerWaalsContact O-N 3.12Å; L162-S165 PolarHBondContact O-OG 3.11Å; L162-I167 HydrophobicContact CD2-CD1 4.09Å; L162-F169 HydrophobicContact CB-CB 4.31Å; L162-F169 HydrophobicContact CB-CD1 3.54Å; L162-F169 HydrophobicContact CB-CD2 4.37Å; L162-F169 HydrophobicContact CB-CE1 3.82Å; L162-F169 HydrophobicContact CB-CG 3.84Å; L162-F169 HydrophobicContact CB-CZ 4.36Å; L162-F169 HydrophobicContact CD1-CD2 4.1Å; L162-F169 HydrophobicContact CD1-CE1 4.37Å; L162-F169 HydrophobicContact CD1-CE2 3.92Å; L162-F169 HydrophobicContact CD1-CG 4.4Å; L162-F169 HydrophobicContact CD1-CZ 4.08Å; L162-K254 PolarHBondContact O-NZ 3.2Å
163	A	98.8	Very high	98.2	Very high	6 Å²	6	12 Å²	12	5%	0.05	7%	0.073	C	C	.	.	H	α-helix	trans	-63.1	-39.7	-175.4	0	0	0	0	0	113.1	S159 L160 F169 P172 V247 K254	S159-A163 WeakPolarHBondContact O-CB 3.41Å; S159-A163 PolarHBondContact O-N 2.73Å; L160-A163 PolarHBondContact O-N 3.41Å; A163-F169 HydrophobicContact CB-CD1 4.35Å; A163-F169 HydrophobicContact CB-CE1 4.48Å; A163-P172 HydrophobicContact CB-CB 4.37Å; A163-V247 HydrophobicContact CB-CG2 3.53Å; A163-K254 PolarHBondContact O-NZ 3.09Å
164	I	98.6	Very high	98.2	Very high	8 Å²	8	12 Å²	12	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-80.5	-16.1	176.3	72.4	178.4	0	0	0	113.5	I45 V56 L160 L162 I246 V247 V250 K252	I45-I164 HydrophobicContact CD1-CD1 3.94Å; I45-I164 HydrophobicContact CG1-CD1 4.48Å; I45-I164 HydrophobicContact CG2-CD1 3.85Å; V56-I164 HydrophobicContact CG1-CD1 3.5Å; V56-I164 VanDerWaalsContact CG1-CD1 3.5Å; L160-I164 HydrophobicContact CD1-CG2 3.75Å; L160-I164 HydrophobicContact CG-CG2 4.22Å; L160-I164 WeakPolarHBondContact O-CG1 3.46Å; L160-I164 WeakPolarHBondContact O-CG2 3.32Å; L160-I164 PolarHBondContact O-N 3.04Å; L162-I164 PolarHBondContact O-N 3.28Å; I164-I246 HydrophobicContact CG2-CG2 4.3Å; I164-V247 HydrophobicContact CG2-CG2 3.99Å; I164-V250 HydrophobicContact CB-CG2 4.43Å; I164-V250 HydrophobicContact CG2-CG2 4Å; I164-K252 WeakPolarHBondContact O-CG 3.27Å; I164-K252 PolarHBondContact O-N 2.84Å
165	S	98.7	Very high	98.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-71.5	172	-179.8	76.1	0	0	0	0	112	N53 A161 L162 I167 K254	N53-S165 VanDerWaalsContact C-CB 3.43Å; N53-S165 WeakPolarHBondContact O-CA 3.4Å; N53-S165 WeakPolarHBondContact O-CB 3.39Å; A161-S165 VanDerWaalsContact O-CB 3.29Å; A161-S165 WeakPolarHBondContact O-CB 3.1Å; A161-S165 PolarHBondContact O-N 3.14Å; L162-S165 WeakPolarHBondContact O-CB 3.33Å; L162-S165 PolarHBondContact O-N 3.09Å; L162-S165 VanDerWaalsContact O-N 3.12Å; L162-S165 PolarHBondContact O-OG 3.11Å; S165-I167 VanDerWaalsContact OG-CB 3.29Å; S165-I167 WeakPolarHBondContact OG-CB 3.23Å; S165-I167 WeakPolarHBondContact OG-CG1 3.37Å; S165-I167 PolarHBondContact OG-N 3.28Å; S165-K254 PolarHBondContact O-NZ 2.94Å
166	D	98.3	Very high	98.1	Very high	43 Å²	43	12 Å²	12	23%	0.23	7%	0.073	C	C	.	.	S	Bend	trans	-78.2	-1	165.7	53.7	-10.6	0	0	0	112.7	N53 P168 K252 E253 K254 M255	N53-D166 WeakPolarHBondContact CB-OD1 3.48Å; N53-D166 PolarHBondContact ND2-OD1 3.29Å; N53-D166 PolarHBondContact ND2-OD2 3.21Å; D166-P168 WeakPolarHBondContact O-CD 3.37Å; D166-K252 HydrophobicContact CB-CB 4.22Å; D166-K252 HydrophobicContact CB-CD 4.43Å; D166-E253 WeakPolarHBondContact CA-O 3.43Å; D166-E253 WeakPolarHBondContact CB-O 3.47Å; D166-K254 CarbonylContact O-C 3.55Å; D166-K254 VanDerWaalsContact O-CA 3.28Å; D166-K254 WeakPolarHBondContact O-CA 3.27Å; D166-M255 WeakPolarHBondContact O-CG 3.4Å; D166-M255 PolarHBondContact O-N 3.16Å
167	I	98.7	Very high	98.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-74.4	128.4	178.6	-54	169.1	0	0	0	109.6	N53 A69 A71 F127 F131 V135 L162 S165 F169 K254 M255	N53-I167 HydrophobicContact CB-CD1 3.77Å; N53-I167 HydrophobicContact CB-CG1 3.85Å; A69-I167 HydrophobicContact CB-CD1 4.2Å; A71-I167 HydrophobicContact CB-CD1 3.68Å; A71-I167 HydrophobicContact CB-CG1 3.68Å; A71-I167 HydrophobicContact CB-CG2 4.35Å; F127-I167 HydrophobicContact CE1-CG2 3.96Å; F131-I167 HydrophobicContact CZ-CG2 4.19Å; V135-I167 HydrophobicContact CG2-CG2 4.2Å; L162-I167 HydrophobicContact CD2-CD1 4.09Å; S165-I167 VanDerWaalsContact OG-CB 3.29Å; S165-I167 WeakPolarHBondContact OG-CB 3.23Å; S165-I167 WeakPolarHBondContact OG-CG1 3.37Å; S165-I167 PolarHBondContact OG-N 3.28Å; I167-F169 PolarHBondContact O-N 2.85Å; I167-K254 WeakPolarHBondContact O-CD 3.48Å; I167-K254 PolarHBondContact O-NZ 3.49Å; I167-M255 HydrophobicContact CG2-CE 4.48Å
168	P	97.6	Very high	98.1	Very high	30 Å²	30	13.1 Å²	13.1	20%	0.195	8%	0.08	C	C	.	.			trans	-61.4	118.7	172.9	-22.9	34.4	0	0	0	110.4	F127 F131 D166 K254 M255 V257	F127-P168 WeakPolarHBondContact CD1-O 3.36Å; F127-P168 WeakPolarHBondContact CE1-O 3.41Å; F131-P168 HydrophobicContact CE2-CB 4.08Å; F131-P168 HydrophobicContact CE2-CG 4.13Å; D166-P168 WeakPolarHBondContact O-CD 3.37Å; P168-K254 HydrophobicContact CG-CB 4.38Å; P168-M255 HydrophobicContact CG-CG 4.43Å; P168-M255 VanDerWaalsContact CG-O 3.24Å; P168-M255 WeakPolarHBondContact CG-O 3.15Å; P168-V257 HydrophobicContact CB-CG2 4.44Å; P168-V257 HydrophobicContact CG-CG1 3.87Å; P168-V257 HydrophobicContact CG-CG2 3.89Å
169	F	97.4	Very high	98.1	Very high	20 Å²	20	13.2 Å²	13.2	9%	0.088	8%	0.08	C	C	.	.			trans	-154.4	121.3	-174.2	172.1	-117.1	0	0	0	108.2	I123 M126 F127 L162 A163 I167 G171	I123-F169 HydrophobicContact CG2-CE2 4.02Å; M126-F169 HydrophobicContact CB-CD2 3.85Å; M126-F169 HydrophobicContact CB-CE2 3.44Å; M126-F169 VanDerWaalsContact CB-CE2 3.44Å; M126-F169 HydrophobicContact CB-CZ 4.18Å; M126-F169 HydrophobicContact CG-CE2 4.01Å; M126-F169 HydrophobicContact CG-CZ 4.36Å; F127-F169 HydrophobicContact CD2-CD2 4.11Å; F127-F169 HydrophobicContact CE1-CB 4.47Å; F127-F169 HydrophobicContact CE1-CD2 4.4Å; F127-F169 AromaticContact CE2-CD2 3.66Å; F127-F169 HydrophobicContact CE2-CD2 3.66Å; F127-F169 HydrophobicContact CE2-CE2 4.04Å; F127-F169 AromaticContact CZ-CD2 3.83Å; F127-F169 HydrophobicContact CZ-CD2 3.83Å; L162-F169 HydrophobicContact CB-CB 4.31Å; L162-F169 HydrophobicContact CB-CD1 3.54Å; L162-F169 HydrophobicContact CB-CD2 4.37Å; L162-F169 HydrophobicContact CB-CE1 3.82Å; L162-F169 HydrophobicContact CB-CG 3.84Å; L162-F169 HydrophobicContact CB-CZ 4.36Å; L162-F169 HydrophobicContact CD1-CD2 4.1Å; L162-F169 HydrophobicContact CD1-CE1 4.37Å; L162-F169 HydrophobicContact CD1-CE2 3.92Å; L162-F169 HydrophobicContact CD1-CG 4.4Å; L162-F169 HydrophobicContact CD1-CZ 4.08Å; A163-F169 HydrophobicContact CB-CD1 4.35Å; A163-F169 HydrophobicContact CB-CE1 4.48Å; I167-F169 PolarHBondContact O-N 2.85Å; F169-G171 PolarHBondContact O-N 3.48Å; F169-G171 VanDerWaalsContact O-N 3.13Å
170	D	95.2	Very high	98.1	Very high	97 Å²	97	14.7 Å²	14.7	52%	0.519	9%	0.086	S	C	.	.			trans	-88.6	46.5	-177.4	-164.5	31.5	0	0	0	111.9	M126 Q541	M126-D170 VanDerWaalsContact O-CB 3.32Å; M126-D170 WeakPolarHBondContact O-CB 3.33Å; M126-D170 PolarHBondContact O-N 2.87Å; D170-Q541 PolarHBondContact OD2-NE2 2.75Å
171	G	94.2	Very high	98	Very high	29 Å²	29	15.4 Å²	15.4	30%	0.299	9%	0.09	S	C	.	.			trans	-97.3	-158.7	174.3	0	0	0	0	0	112.8	F169	F169-G171 PolarHBondContact O-N 3.48Å; F169-G171 VanDerWaalsContact O-N 3.13Å
172	P	98.1	Very high	97.9	Very high	17 Å²	17	22.7 Å²	22.7	11%	0.11	13%	0.129	C	C	.	.			cis	-82.6	156.2	2.6	28.3	-26	0	0	0	113	S159 A163 V240 Q243	S159-P172 WeakPolarHBondContact OG-CA 3.44Å; S159-P172 WeakPolarHBondContact OG-CB 3.4Å; A163-P172 HydrophobicContact CB-CB 4.37Å; P172-V240 HydrophobicContact CG-CG1 4.13Å; P172-Q243 HydrophobicContact CB-CB 3.86Å; P172-Q243 HydrophobicContact CB-CG 4.43Å; P172-Q243 HydrophobicContact CG-CB 3.62Å
173	I	98	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.159	C	C	.	.			trans	-100.2	158.7	160.6	63.6	83.9	0	0	0	110.8	P122 I123 M126 M155 S159 G205 T206 Q243	P122-I173 HydrophobicContact CB-CD1 4.26Å; P122-I173 HydrophobicContact CB-CG1 4.34Å; P122-I173 HydrophobicContact CG-CD1 4.12Å; I123-I173 HydrophobicContact CG1-CD1 4.16Å; I123-I173 HydrophobicContact CG1-CG1 3.98Å; M126-I173 HydrophobicContact CG-CG2 3.79Å; M126-I173 HydrophobicContact SD-CG2 3.81Å; M155-I173 HydrophobicContact CG-CD1 3.78Å; M155-I173 HydrophobicContact SD-CD1 4.22Å; S159-I173 WeakPolarHBondContact CB-O 3.47Å; S159-I173 PolarHBondContact OG-N 3.41Å; S159-I173 PolarHBondContact OG-O 3.16Å; I173-G205 VanDerWaalsContact CA-O 3.27Å; I173-G205 WeakPolarHBondContact CA-O 3.11Å; I173-G205 WeakPolarHBondContact CB-O 3.14Å; I173-T206 HydrophobicContact CG2-CG2 4.08Å; I173-Q243 PolarHBondContact O-NE2 2.93Å
174	A	98.4	Very high	97.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.5	164.2	0	0	0	0	0	109.3	A204 G205 I236 M239 V240	A174-A204 CarbonylContact O-C 3.48Å; A174-A204 WeakPolarHBondContact O-CA 3.17Å; A174-A204 WeakPolarHBondContact O-CB 3.3Å; A174-G205 PolarHBondContact N-O 3.12Å; A174-G205 PolarHBondContact O-N 3.35Å; A174-I236 HydrophobicContact CB-CG2 4.23Å; A174-M239 HydrophobicContact CB-CB 3.64Å; A174-V240 HydrophobicContact CB-CG2 3.92Å
175	G	98	Very high	97.7	Very high	1 Å²	1	35 Å²	35	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	166.7	170.4	0	0	0	0	0	111.4	W36 V203	W36-G175 WeakPolarHBondContact CZ2-O 3.34Å; G175-V203 CarbonylContact C-O 3.45Å; G175-V203 WeakPolarHBondContact CA-O 3.17Å
176	V	98.6	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	152.3	173.8	-71.7	0	0	0	0	109	V178 L187 T202 V203 G232 A235 I236	V176-V178 HydrophobicContact CG2-CG2 4.06Å; V176-L187 HydrophobicContact CB-CD2 4.32Å; V176-L187 HydrophobicContact CG2-CD2 4.15Å; V176-T202 WeakPolarHBondContact O-CA 3.35Å; V176-V203 HydrophobicContact CG2-CG1 3.66Å; V176-V203 PolarHBondContact N-O 2.88Å; V176-V203 PolarHBondContact O-N 3.26Å; V176-G232 WeakPolarHBondContact CG2-O 3.24Å; V176-A235 HydrophobicContact CG1-CB 4.01Å; V176-A235 HydrophobicContact CG2-CB 4.47Å; V176-I236 HydrophobicContact CG2-CD1 4.34Å; V176-I236 HydrophobicContact CG2-CG1 4.1Å
177	D	98.7	Very high	97.7	Very high	24 Å²	24	36.3 Å²	36.3	13%	0.128	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	140.3	163	-61.6	-38.6	0	0	0	108.3	M152 L187 N188 L201 T202	M152-D177 VanDerWaalsContact CG-OD2 3.26Å; M152-D177 WeakPolarHBondContact CG-OD2 3.36Å; D177-L187 CarbonylContact O-C 3.48Å; D177-N188 PolarHBondContact N-OD1 2.8Å; D177-N188 PolarHBondContact O-N 3.48Å; D177-N188 PolarHBondContact O-OD1 3.4Å; D177-L201 CarbonylContact C-O 3.57Å; D177-L201 VanDerWaalsContact CA-O 3.28Å; D177-L201 WeakPolarHBondContact CA-O 3.49Å; D177-T202 WeakPolarHBondContact OD1-CB 3.41Å; D177-T202 WeakPolarHBondContact OD1-CG2 3.47Å; D177-T202 PolarHBondContact OD1-OG1 2.9Å
178	V	98.8	Very high	97.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122	179.8	-176.2	0	0	0	0	107.5	V176 V186 L187 L201 V203 A228 F231	V176-V178 HydrophobicContact CG2-CG2 4.06Å; V178-V186 WeakPolarHBondContact CA-O 3.38Å; V178-L187 HydrophobicContact CG2-CD2 4.21Å; V178-L201 HydrophobicContact CB-CB 4.2Å; V178-L201 HydrophobicContact CB-CD2 4.12Å; V178-L201 HydrophobicContact CB-CG 4.27Å; V178-L201 HydrophobicContact CG2-CD2 4.41Å; V178-L201 PolarHBondContact N-O 3.12Å; V178-L201 PolarHBondContact O-N 3.46Å; V178-V203 HydrophobicContact CG2-CG1 4.18Å; V178-A228 HydrophobicContact CG1-CB 4.04Å; V178-F231 HydrophobicContact CG1-CD1 3.77Å; V178-F231 HydrophobicContact CG1-CE1 4.26Å; V178-F231 HydrophobicContact CG2-CD1 4.41Å
179	G	98.6	Very high	97.7	Very high	1 Å²	1	36 Å²	36	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	167.4	167.3	0	0	0	0	0	111.3	Y185 V186 S197 I199	G179-Y185 CarbonylContact O-C 3.53Å; G179-Y185 VanDerWaalsContact O-CA 3.27Å; G179-Y185 WeakPolarHBondContact O-CA 3.3Å; G179-V186 PolarHBondContact N-O 3.4Å; G179-V186 PolarHBondContact O-N 3.41Å; G179-S197 WeakPolarHBondContact CA-OG 3.19Å; G179-I199 VanDerWaalsContact CA-O 3.3Å; G179-I199 WeakPolarHBondContact CA-O 3.36Å
180	R	98.6	Very high	97.6	Very high	31 Å²	31	36.6 Å²	36.6	12%	0.117	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.1	162.2	-178.2	173.5	73.3	170.3	1.9	110.2	E184 Y185 S197 D198 I199 D224	R180-E184 CarbonylContact C-O 3.58Å; R180-E184 VanDerWaalsContact CA-O 3.28Å; R180-E184 WeakPolarHBondContact CA-O 3.29Å; R180-Y185 HydrophobicContact CB-CD1 3.96Å; R180-Y185 HydrophobicContact CB-CE1 4.23Å; R180-Y185 HydrophobicContact CG-CD1 4.2Å; R180-Y185 HydrophobicContact CG-CE1 4.29Å; R180-S197 PolarHBondContact N-OG 3.42Å; R180-S197 WeakPolarHBondContact O-CA 3.37Å; R180-S197 WeakPolarHBondContact O-CB 3.23Å; R180-S197 PolarHBondContact O-OG 3.26Å; R180-D198 WeakPolarHBondContact CB-OD1 3.36Å; R180-D198 IonicContact CZ-OD1 2.69Å; R180-D198 IonicContact CZ-OD2 3.27Å; R180-D198 IonicContact NE-OD1 3.62Å; R180-D198 PolarHBondContact NE-OD1 2.84Å; R180-D198 IonicContact NE-OD2 3.26Å; R180-D198 PolarHBondContact NE-OD2 3.07Å; R180-D198 IonicContact NH2-OD1 2.62Å; R180-D198 IonicContact NH2-OD2 3.42Å; R180-D198 PolarHBondContact NH2-OD2 3.26Å; R180-D198 PolarHBondContact O-N 3.05Å; R180-I199 HydrophobicContact CB-CB 4.18Å; R180-I199 HydrophobicContact CB-CD1 4.01Å; R180-I199 HydrophobicContact CB-CG1 4.12Å; R180-D224 IonicContact CZ-OD2 2.75Å; R180-D224 IonicContact NH1-OD1 3.74Å; R180-D224 PolarHBondContact NH1-OD1 3.41Å; R180-D224 IonicContact NH1-OD2 2.72Å; R180-D224 PolarHBondContact NH1-OD2 2.96Å; R180-D224 IonicContact NH2-OD2 2.75Å
181	V	98.1	Very high	97.7	Very high	15 Å²	15	34.5 Å²	34.5	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.2	-177.3	179.1	0	0	0	0	108.1	G183 E184 V186 Q193 E196	V181-G183 PolarHBondContact O-N 3.19Å; V181-G183 VanDerWaalsContact O-N 3.09Å; V181-E184 PolarHBondContact N-O 3.41Å; V181-E184 PolarHBondContact O-N 3.22Å; V181-V186 HydrophobicContact CG2-CG2 4.07Å; V181-Q193 HydrophobicContact CG2-CB 4.03Å; V181-Q193 HydrophobicContact CG2-CG 4.5Å; V181-Q193 VanDerWaalsContact CG2-O 3.23Å; V181-Q193 WeakPolarHBondContact CG2-O 3.43Å; V181-E196 HydrophobicContact CG1-CB 4.12Å; V181-E196 WeakPolarHBondContact CG1-OE2 3.22Å
182	N	95.4	Very high	97.8	Very high	153 Å²	153	40.6 Å²	40.6	82%	0.818	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	32.5	-175.9	-61.4	-51.1	0	0	0	113.8	E184	N182-E184 VanDerWaalsContact C-N 3.35Å
183	G	94.9	Very high	97.8	Very high	60 Å²	60	43 Å²	43	62%	0.619	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.3	-1	-179.2	0	0	0	0	0	115.6	V181	V181-G183 PolarHBondContact O-N 3.19Å; V181-G183 VanDerWaalsContact O-N 3.09Å
184	E	98.2	Very high	97.7	Very high	147 Å²	147	47.2 Å²	47.2	69%	0.687	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.5	179.6	-63.2	-173.4	171	0	0	111.6	R180 V181 N182	R180-E184 CarbonylContact C-O 3.58Å; R180-E184 VanDerWaalsContact CA-O 3.28Å; R180-E184 WeakPolarHBondContact CA-O 3.29Å; V181-E184 PolarHBondContact N-O 3.41Å; V181-E184 PolarHBondContact O-N 3.22Å; N182-E184 VanDerWaalsContact C-N 3.35Å
185	Y	98.7	Very high	97.5	Very high	65 Å²	65	50.7 Å²	50.7	26%	0.255	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136.8	174.3	-57.8	-52.1	0	0	0	111.3	G179 R180 I199 D224 A228 F231	G179-Y185 CarbonylContact O-C 3.53Å; G179-Y185 VanDerWaalsContact O-CA 3.27Å; G179-Y185 WeakPolarHBondContact O-CA 3.3Å; R180-Y185 HydrophobicContact CB-CD1 3.96Å; R180-Y185 HydrophobicContact CB-CE1 4.23Å; R180-Y185 HydrophobicContact CG-CD1 4.2Å; R180-Y185 HydrophobicContact CG-CE1 4.29Å; Y185-I199 HydrophobicContact CE1-CD1 4.09Å; Y185-D224 WeakPolarHBondContact OH-CA 3.49Å; Y185-D224 PolarHBondContact OH-O 2.99Å; Y185-A228 HydrophobicContact CD1-CB 4.02Å; Y185-A228 HydrophobicContact CE1-CB 3.73Å; Y185-F231 VanDerWaalsContact CB-CD1 3.48Å; Y185-F231 HydrophobicContact CD2-CB 4.01Å; Y185-F231 HydrophobicContact CD2-CD2 4.46Å; Y185-F231 HydrophobicContact CD2-CG 4.13Å; Y185-F231 HydrophobicContact CG-CB 4.4Å; Y185-F231 HydrophobicContact CG-CD1 4.27Å; Y185-F231 HydrophobicContact CG-CG 4.24Å; Y185-F231 WeakPolarHBondContact O-CZ 3.33Å
186	V	98.5	Very high	97.4	Very high	28 Å²	28	56.6 Å²	56.6	17%	0.17	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134	179.5	-65	0	0	0	0	110	V178 G179 V181 P189	V178-V186 WeakPolarHBondContact CA-O 3.38Å; G179-V186 PolarHBondContact N-O 3.4Å; G179-V186 PolarHBondContact O-N 3.41Å; V181-V186 HydrophobicContact CG2-CG2 4.07Å; V186-P189 HydrophobicContact CG2-CB 4.31Å; V186-P189 HydrophobicContact CG2-CG 4.07Å
187	L	98.5	Very high	97.4	Very high	44 Å²	44	57 Å²	57	23%	0.23	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	133.5	176.9	-68.2	171.7	0	0	0	110.2	V176 D177 V178 F231 A235	V176-L187 HydrophobicContact CB-CD2 4.32Å; V176-L187 HydrophobicContact CG2-CD2 4.15Å; D177-L187 CarbonylContact O-C 3.48Å; V178-L187 HydrophobicContact CG2-CD2 4.21Å; L187-F231 HydrophobicContact CB-CE1 4.46Å; L187-F231 HydrophobicContact CD1-CE1 4.42Å; L187-F231 HydrophobicContact CD1-CZ 4.36Å; L187-F231 HydrophobicContact CD2-CD1 3.87Å; L187-F231 HydrophobicContact CD2-CE1 3.47Å; L187-F231 VanDerWaalsContact CD2-CE1 3.47Å; L187-F231 HydrophobicContact CD2-CZ 4.21Å; L187-F231 HydrophobicContact CG-CD1 4.32Å; L187-F231 HydrophobicContact CG-CE1 3.44Å; L187-F231 VanDerWaalsContact CG-CE1 3.44Å; L187-F231 HydrophobicContact CG-CZ 3.75Å; L187-A235 HydrophobicContact CD1-CB 3.46Å; L187-A235 VanDerWaalsContact CD1-CB 3.46Å; L187-A235 HydrophobicContact CD2-CB 3.64Å; L187-A235 HydrophobicContact CG-CB 4.2Å
188	N	98	Very high	97.4	Very high	3 Å²	3	58 Å²	58	2%	0.016	32%	0.315	C	S	.	.	S	Bend	trans	44.1	78.3	-175.6	-58.6	-18.9	0	0	0	109.3	R39 Y60 D177	R39-N188 VanDerWaalsContact NH2-CB 3.26Å; R39-N188 PolarHBondContact NH2-O 2.94Å; Y60-N188 WeakPolarHBondContact OH-CB 3.43Å; Y60-N188 PolarHBondContact OH-ND2 3.38Å; D177-N188 PolarHBondContact N-OD1 2.8Å; D177-N188 PolarHBondContact O-N 3.48Å; D177-N188 PolarHBondContact O-OD1 3.4Å
189	P	98.1	Very high	97.4	Very high	19 Å²	19	58.1 Å²	58.1	12%	0.123	32%	0.315	C	S	.	.			trans	-55.9	146.3	180	-20.3	29.6	0	0	0	111.8	V186 Q193 H194	V186-P189 HydrophobicContact CG2-CB 4.31Å; V186-P189 HydrophobicContact CG2-CG 4.07Å; P189-Q193 HydrophobicContact CB-CB 3.85Å; P189-H194 HydrophobicContact CB-CB 4.18Å
190	T	97	Very high	97.4	Very high	33 Å²	33	60.7 Å²	60.7	20%	0.202	33%	0.329	C	S	.	.			trans	-68.3	170.7	162.7	64.1	0	0	0	0	110.7	D147 E192 Q193 H194	D147-T190 HydrophobicContact CB-CG2 4.2Å; D147-T190 WeakPolarHBondContact OD1-CA 3.31Å; D147-T190 VanDerWaalsContact OD1-CB 3.26Å; D147-T190 WeakPolarHBondContact OD1-CB 3.48Å; T190-E192 VanDerWaalsContact C-N 3.26Å; T190-E192 PolarHBondContact O-N 2.87Å; T190-Q193 PolarHBondContact O-N 2.88Å; T190-Q193 VanDerWaalsContact OG1-CG 3.31Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.4Å; T190-Q193 PolarHBondContact OG1-N 2.78Å; T190-H194 WeakPolarHBondContact O-CB 3.41Å; T190-H194 PolarHBondContact O-N 2.8Å
191	V	95.6	Very high	97.4	Very high	53 Å²	53	59.2 Å²	59.2	32%	0.321	32%	0.323	S	S	.	.	H	α-helix	trans	-55.9	-43.6	174.7	176.1	0	0	0	0	111.3	Q146 D147 A195 T399	Q146-V191 HydrophobicContact CB-CG2 3.82Å; D147-V191 WeakPolarHBondContact OD1-CG2 3.32Å; D147-V191 PolarHBondContact OD1-N 3.07Å; V191-A195 PolarHBondContact O-N 2.84Å; V191-A195 VanDerWaalsContact O-N 3.15Å; V191-T399 HydrophobicContact CG1-CG2 4.2Å; V191-T399 HydrophobicContact CG2-CG2 4.09Å
192	E	96.7	Very high	97.4	Very high	158 Å²	158	59 Å²	59	74%	0.738	32%	0.322	S	S	*	.	H	α-helix	trans	-65.4	-45.4	177.9	-65.8	-179	173.2	0	0	111.6	T190 H194 A195 E196	T190-E192 VanDerWaalsContact C-N 3.26Å; T190-E192 PolarHBondContact O-N 2.87Å; E192-H194 PolarHBondContact O-N 2.78Å; E192-A195 PolarHBondContact O-N 2.98Å; E192-E196 PolarHBondContact O-N 2.66Å
193	Q	98.1	Very high	97.5	Very high	68 Å²	68	51.8 Å²	51.8	32%	0.318	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-39.8	178.4	-73	173.3	-25.9	0	0	112.2	V181 P189 T190 A195 E196 S197	V181-Q193 HydrophobicContact CG2-CB 4.03Å; V181-Q193 HydrophobicContact CG2-CG 4.5Å; V181-Q193 VanDerWaalsContact CG2-O 3.23Å; V181-Q193 WeakPolarHBondContact CG2-O 3.43Å; P189-Q193 HydrophobicContact CB-CB 3.85Å; T190-Q193 PolarHBondContact O-N 2.88Å; T190-Q193 VanDerWaalsContact OG1-CG 3.31Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.4Å; T190-Q193 PolarHBondContact OG1-N 2.78Å; Q193-A195 VanDerWaalsContact C-N 3.34Å; Q193-E196 PolarHBondContact O-N 3.33Å; Q193-S197 WeakPolarHBondContact O-CB 3.47Å; Q193-S197 PolarHBondContact O-N 2.8Å
194	H	95.8	Very high	97.7	Very high	88 Å²	88	48.9 Å²	48.9	41%	0.407	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-42.8	177.2	-175.7	-89.7	0	0	0	111.2	P189 T190 E192 E196 S197 D200	P189-H194 HydrophobicContact CB-CB 4.18Å; T190-H194 WeakPolarHBondContact O-CB 3.41Å; T190-H194 PolarHBondContact O-N 2.8Å; E192-H194 PolarHBondContact O-N 2.78Å; H194-E196 VanDerWaalsContact C-N 3.32Å; H194-E196 PolarHBondContact O-N 3Å; H194-S197 WeakPolarHBondContact O-CB 3.26Å; H194-S197 PolarHBondContact O-N 2.81Å; H194-D200 IonicContact CE1-OD2 3.91Å; H194-D200 IonicContact NE2-OD1 3.18Å; H194-D200 IonicContact NE2-OD2 2.74Å; H194-D200 PolarHBondContact NE2-OD2 3.1Å
195	A	94.7	Very high	97.6	Very high	72 Å²	72	41.9 Å²	41.9	60%	0.595	22%	0.221	S	C	*	.	H	α-helix	trans	-61.7	-38.5	177	0	0	0	0	0	113	V191 E192 Q193 S197	V191-A195 PolarHBondContact O-N 2.84Å; V191-A195 VanDerWaalsContact O-N 3.15Å; E192-A195 PolarHBondContact O-N 2.98Å; Q193-A195 VanDerWaalsContact C-N 3.34Å; A195-S197 VanDerWaalsContact C-N 3.28Å
196	E	96.8	Very high	97.4	Very high	126 Å²	126	39.7 Å²	39.7	59%	0.589	21%	0.214	S	C	*	.	H	α-helix	trans	-77.3	-14.1	175.8	-68.2	-175.1	-179.6	0	0	113.3	V181 E192 Q193 H194	V181-E196 HydrophobicContact CG1-CB 4.12Å; V181-E196 WeakPolarHBondContact CG1-OE2 3.22Å; E192-E196 PolarHBondContact O-N 2.66Å; Q193-E196 PolarHBondContact O-N 3.33Å; H194-E196 VanDerWaalsContact C-N 3.32Å; H194-E196 PolarHBondContact O-N 3Å
197	S	98.4	Very high	97.3	Very high	7 Å²	7	45.5 Å²	45.5	5%	0.049	24%	0.237	C	C	.	.			trans	-76.8	145.4	-170.5	-159	0	0	0	0	113.8	G179 R180 Q193 H194 A195 I199 K218	G179-S197 WeakPolarHBondContact CA-OG 3.19Å; R180-S197 PolarHBondContact N-OG 3.42Å; R180-S197 WeakPolarHBondContact O-CA 3.37Å; R180-S197 WeakPolarHBondContact O-CB 3.23Å; R180-S197 PolarHBondContact O-OG 3.26Å; Q193-S197 WeakPolarHBondContact O-CB 3.47Å; Q193-S197 PolarHBondContact O-N 2.8Å; H194-S197 WeakPolarHBondContact O-CB 3.26Å; H194-S197 PolarHBondContact O-N 2.81Å; A195-S197 VanDerWaalsContact C-N 3.28Å; S197-I199 PolarHBondContact OG-N 3.45Å; S197-I199 PolarHBondContact OG-O 2.89Å; S197-K218 WeakPolarHBondContact O-CE 3.41Å; S197-K218 PolarHBondContact O-NZ 2.85Å
198	D	98.1	Very high	97	Very high	47 Å²	47	51.1 Å²	51.1	25%	0.251	26%	0.263	S	S	.	.	S	Bend	trans	-101.9	-3.3	170.1	67.3	-8.7	0	0	0	113.9	R180 A217 K218 V220	R180-D198 WeakPolarHBondContact CB-OD1 3.36Å; R180-D198 IonicContact CZ-OD1 2.69Å; R180-D198 IonicContact CZ-OD2 3.27Å; R180-D198 IonicContact NE-OD1 3.62Å; R180-D198 PolarHBondContact NE-OD1 2.84Å; R180-D198 IonicContact NE-OD2 3.26Å; R180-D198 PolarHBondContact NE-OD2 3.07Å; R180-D198 IonicContact NH2-OD1 2.62Å; R180-D198 IonicContact NH2-OD2 3.42Å; R180-D198 PolarHBondContact NH2-OD2 3.26Å; R180-D198 PolarHBondContact O-N 3.05Å; D198-A217 CarbonylContact O-C 3.33Å; D198-A217 VanDerWaalsContact O-CA 3.27Å; D198-A217 WeakPolarHBondContact O-CA 3.24Å; D198-A217 WeakPolarHBondContact O-CB 3.22Å; D198-K218 HydrophobicContact CB-CB 4.05Å; D198-K218 HydrophobicContact CB-CD 4.21Å; D198-K218 HydrophobicContact CB-CG 4.43Å; D198-K218 PolarHBondContact O-N 3.34Å; D198-V220 HydrophobicContact CB-CG1 4.41Å; D198-V220 WeakPolarHBondContact O-CG1 3.39Å
199	I	98.7	Very high	96.7	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.5	171.7	-62.8	-179	0	0	0	108	G179 R180 Y185 S197 L201 V220 M225 A228	G179-I199 VanDerWaalsContact CA-O 3.3Å; G179-I199 WeakPolarHBondContact CA-O 3.36Å; R180-I199 HydrophobicContact CB-CB 4.18Å; R180-I199 HydrophobicContact CB-CD1 4.01Å; R180-I199 HydrophobicContact CB-CG1 4.12Å; Y185-I199 HydrophobicContact CE1-CD1 4.09Å; S197-I199 PolarHBondContact OG-N 3.45Å; S197-I199 PolarHBondContact OG-O 2.89Å; I199-L201 HydrophobicContact CG2-CB 3.73Å; I199-V220 HydrophobicContact CD1-CG1 4.34Å; I199-V220 HydrophobicContact CD1-CG2 4.28Å; I199-V220 HydrophobicContact CG1-CB 4.38Å; I199-V220 HydrophobicContact CG1-CG1 3.78Å; I199-V220 HydrophobicContact CG1-CG2 4.13Å; I199-M225 HydrophobicContact CG2-CE 4.25Å; I199-A228 HydrophobicContact CD1-CB 4.13Å; I199-A228 HydrophobicContact CG2-CB 4.31Å
200	D	97.9	Very high	96.6	Very high	55 Å²	55	51 Å²	51	29%	0.294	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	97.5	167.6	-178.9	3.2	0	0	0	106.7	H194 S215 G216	H194-D200 IonicContact CE1-OD2 3.91Å; H194-D200 IonicContact NE2-OD1 3.18Å; H194-D200 IonicContact NE2-OD2 2.74Å; H194-D200 PolarHBondContact NE2-OD2 3.1Å; D200-S215 CarbonylContact O-C 3.59Å; D200-S215 WeakPolarHBondContact O-CA 3.47Å; D200-S215 WeakPolarHBondContact O-CB 3.41Å; D200-S215 PolarHBondContact O-OG 2.64Å; D200-G216 CarbonylContact C-O 3.55Å; D200-G216 WeakPolarHBondContact CA-O 3.26Å; D200-G216 PolarHBondContact N-O 2.78Å; D200-G216 PolarHBondContact O-N 3.46Å; D200-G216 VanDerWaalsContact O-O 3.06Å
201	L	98.6	Very high	96.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.6	-172.3	164.2	64.4	0	0	0	110.1	D177 V178 I199 V203 V213 M225 A228 L229	D177-L201 CarbonylContact C-O 3.57Å; D177-L201 VanDerWaalsContact CA-O 3.28Å; D177-L201 WeakPolarHBondContact CA-O 3.49Å; V178-L201 HydrophobicContact CB-CB 4.2Å; V178-L201 HydrophobicContact CB-CD2 4.12Å; V178-L201 HydrophobicContact CB-CG 4.27Å; V178-L201 HydrophobicContact CG2-CD2 4.41Å; V178-L201 PolarHBondContact N-O 3.12Å; V178-L201 PolarHBondContact O-N 3.46Å; I199-L201 HydrophobicContact CG2-CB 3.73Å; L201-V203 HydrophobicContact CD1-CB 4.38Å; L201-V213 HydrophobicContact CD1-CG1 3.52Å; L201-M225 HydrophobicContact CD1-SD 4.49Å; L201-M225 HydrophobicContact CD2-SD 4.28Å; L201-A228 HydrophobicContact CD2-CB 3.62Å; L201-L229 HydrophobicContact CD1-CD2 3.76Å; L201-L229 HydrophobicContact CD2-CD2 3.89Å; L201-L229 HydrophobicContact CD2-CG 4Å; L201-L229 HydrophobicContact CG-CD2 4.43Å
202	T	98.6	Very high	96.5	Very high	12 Å²	12	46.9 Å²	46.9	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.2	160.6	-53.4	0	0	0	0	109.2	L118 M152 V176 D177 M212 E214	L118-T202 HydrophobicContact CD1-CG2 4.07Å; L118-T202 HydrophobicContact CD2-CG2 4.2Å; L118-T202 HydrophobicContact CG-CG2 4.45Å; M152-T202 HydrophobicContact CE-CG2 3.47Å; M152-T202 VanDerWaalsContact CE-CG2 3.47Å; M152-T202 HydrophobicContact SD-CG2 4.21Å; V176-T202 WeakPolarHBondContact O-CA 3.35Å; D177-T202 WeakPolarHBondContact OD1-CB 3.41Å; D177-T202 WeakPolarHBondContact OD1-CG2 3.47Å; D177-T202 PolarHBondContact OD1-OG1 2.9Å; T202-M212 HydrophobicContact CG2-CE 4.12Å; T202-E214 PolarHBondContact N-O 3.04Å; T202-E214 PolarHBondContact O-N 3.36Å
203	V	98.3	Very high	96.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.4	174.5	56.3	0	0	0	0	109.6	G175 V176 V178 L201 I210 V213 L229 I236	G175-V203 CarbonylContact C-O 3.45Å; G175-V203 WeakPolarHBondContact CA-O 3.17Å; V176-V203 HydrophobicContact CG2-CG1 3.66Å; V176-V203 PolarHBondContact N-O 2.88Å; V176-V203 PolarHBondContact O-N 3.26Å; V178-V203 HydrophobicContact CG2-CG1 4.18Å; L201-V203 HydrophobicContact CD1-CB 4.38Å; V203-I210 HydrophobicContact CG2-CD1 4.09Å; V203-I210 HydrophobicContact CG2-CG1 4.11Å; V203-I210 HydrophobicContact CG2-CG2 3.77Å; V203-V213 HydrophobicContact CG2-CG2 4.26Å; V203-L229 HydrophobicContact CB-CD2 4.21Å; V203-L229 HydrophobicContact CG2-CD2 4.03Å; V203-I236 HydrophobicContact CB-CD1 4.4Å; V203-I236 HydrophobicContact CG1-CD1 4.01Å; V203-I236 HydrophobicContact CG2-CD1 3.95Å
204	A	97.9	Very high	96.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.5	172.4	0	0	0	0	0	112.1	P122 M155 A174 N211 M212	P122-A204 HydrophobicContact CB-CB 3.96Å; P122-A204 HydrophobicContact CG-CB 4.09Å; M155-A204 HydrophobicContact CE-CB 4.35Å; M155-A204 HydrophobicContact SD-CB 3.71Å; A174-A204 CarbonylContact O-C 3.48Å; A174-A204 WeakPolarHBondContact O-CA 3.17Å; A174-A204 WeakPolarHBondContact O-CB 3.3Å; A204-N211 PolarHBondContact O-N 2.75Å; A204-N211 PolarHBondContact O-OD1 2.75Å; A204-M212 HydrophobicContact CB-CB 4.3Å; A204-M212 HydrophobicContact CB-CE 3.66Å; A204-M212 PolarHBondContact N-O 3.12Å; A204-M212 PolarHBondContact O-N 3.49Å; A204-M212 VanDerWaalsContact O-N 3.15Å
205	G	96.3	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	-178.5	-175.1	0	0	0	0	0	114	I173 A174 A209 N211 I236	I173-G205 VanDerWaalsContact CA-O 3.27Å; I173-G205 WeakPolarHBondContact CA-O 3.11Å; I173-G205 WeakPolarHBondContact CB-O 3.14Å; A174-G205 PolarHBondContact N-O 3.12Å; A174-G205 PolarHBondContact O-N 3.35Å; G205-A209 CarbonylContact C-O 3.52Å; G205-A209 WeakPolarHBondContact CA-O 3.25Å; G205-N211 WeakPolarHBondContact CA-OD1 3.49Å; G205-I236 WeakPolarHBondContact O-CG2 3.49Å
206	T	95.6	Very high	96.8	Very high	18 Å²	18	29.6 Å²	29.6	11%	0.11	15%	0.146	C	C	.	.			trans	-94.7	-171.4	174.2	70.2	0	0	0	0	110.1	M126 I173 Q208 A209	M126-T206 HydrophobicContact CE-CG2 4.33Å; M126-T206 HydrophobicContact SD-CG2 3.61Å; I173-T206 HydrophobicContact CG2-CG2 4.08Å; T206-Q208 PolarHBondContact O-N 3.25Å; T206-Q208 PolarHBondContact OG1-N 2.96Å; T206-Q208 VanDerWaalsContact OG1-N 3.1Å; T206-A209 PolarHBondContact N-O 3.16Å; T206-A209 PolarHBondContact OG1-N 3.3Å; T206-A209 VanDerWaalsContact OG1-N 3.16Å; T206-A209 PolarHBondContact OG1-O 2.96Å
207	K	95.1	Very high	96.8	Very high	150 Å²	150	23.7 Å²	23.7	65%	0.652	12%	0.118	S	C	*	.	S	Bend	trans	-59.5	-27.3	169.1	-175.9	177	177.3	-177.7	0	113	V240	K207-V240 HydrophobicContact CB-CG1 3.86Å
208	Q	92.3	Very high	96.8	Very high	163 Å²	163	28.4 Å²	28.4	76%	0.762	14%	0.138	S	C	*	.	S	Bend	trans	-113.2	-25.7	-165.4	-62.7	-173.1	52.8	0	0	113.7	T206 F233	T206-Q208 PolarHBondContact O-N 3.25Å; T206-Q208 PolarHBondContact OG1-N 2.96Å; T206-Q208 VanDerWaalsContact OG1-N 3.1Å; Q208-F233 VanDerWaalsContact C-CZ 3.43Å; Q208-F233 WeakPolarHBondContact O-CZ 3.43Å
209	A	92.6	Very high	96.8	Very high	15 Å²	15	27.1 Å²	27.1	12%	0.124	13%	0.13	C	C	.	.			trans	-152.6	155.4	-173.9	0	0	0	0	0	113.2	G205 T206	G205-A209 CarbonylContact C-O 3.52Å; G205-A209 WeakPolarHBondContact CA-O 3.25Å; T206-A209 PolarHBondContact N-O 3.16Å; T206-A209 PolarHBondContact OG1-N 3.3Å; T206-A209 VanDerWaalsContact OG1-N 3.16Å; T206-A209 PolarHBondContact OG1-O 2.96Å
210	I	95.2	Very high	96.8	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.8	168	-63.2	171.8	0	0	0	107.9	V203 V213 L229 F233 M536 I538 G542 I543 L548	V203-I210 HydrophobicContact CG2-CD1 4.09Å; V203-I210 HydrophobicContact CG2-CG1 4.11Å; V203-I210 HydrophobicContact CG2-CG2 3.77Å; I210-V213 HydrophobicContact CG2-CG2 3.62Å; I210-L229 HydrophobicContact CD1-CB 4.29Å; I210-F233 HydrophobicContact CD1-CB 3.91Å; I210-F233 HydrophobicContact CD1-CG 4.15Å; I210-F233 HydrophobicContact CG1-CB 3.94Å; I210-F233 HydrophobicContact CG1-CD1 4.4Å; I210-F233 HydrophobicContact CG1-CD2 3.71Å; I210-F233 HydrophobicContact CG1-CE2 4.36Å; I210-F233 HydrophobicContact CG1-CG 3.76Å; I210-M536 HydrophobicContact CG2-CE 3.89Å; I210-I538 VanDerWaalsContact O-CD1 3.32Å; I210-I538 WeakPolarHBondContact O-CD1 3.48Å; I210-G542 CarbonylContact O-C 3.55Å; I210-G542 WeakPolarHBondContact O-CA 3.41Å; I210-I543 PolarHBondContact O-N 3.07Å; I210-L548 HydrophobicContact CD1-CD1 3.92Å
211	N	94	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	-9	179.1	71.7	-6.8	0	0	0	114.1	P122 M126 A204 G205 Q541	P122-N211 WeakPolarHBondContact CB-OD1 3.15Å; P122-N211 PolarHBondContact O-ND2 3.45Å; M126-N211 WeakPolarHBondContact CE-ND2 3.29Å; A204-N211 PolarHBondContact O-N 2.75Å; A204-N211 PolarHBondContact O-OD1 2.75Å; G205-N211 WeakPolarHBondContact CA-OD1 3.49Å; N211-Q541 WeakPolarHBondContact CB-O 3.12Å
212	M	96.4	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	136.9	173.1	-174.4	-80.2	-61.2	0	0	110.7	L118 R121 P122 M155 T202 A204 E214	L118-M212 HydrophobicContact CD1-CE 3.55Å; L118-M212 HydrophobicContact CD1-SD 3.76Å; L118-M212 HydrophobicContact CG-CE 4.07Å; R121-M212 HydrophobicContact CB-CG 3.79Å; R121-M212 PolarHBondContact NH1-SD 3.3Å; P122-M212 HydrophobicContact CB-CB 3.92Å; P122-M212 HydrophobicContact CG-CB 4.29Å; P122-M212 HydrophobicContact CG-CE 4.49Å; M155-M212 HydrophobicContact CE-CE 3.78Å; T202-M212 HydrophobicContact CG2-CE 4.12Å; A204-M212 HydrophobicContact CB-CB 4.3Å; A204-M212 HydrophobicContact CB-CE 3.66Å; A204-M212 PolarHBondContact N-O 3.12Å; A204-M212 PolarHBondContact O-N 3.49Å; A204-M212 VanDerWaalsContact O-N 3.15Å; M212-E214 HydrophobicContact SD-CB 4.27Å
213	V	97.6	Very high	96.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	144.2	171.4	-176.5	0	0	0	0	110.1	R121 L201 V203 I210 L229 L534 Q535 M536	R121-V213 PolarHBondContact NH2-O 2.96Å; R121-V213 VanDerWaalsContact NH2-O 3.16Å; L201-V213 HydrophobicContact CD1-CG1 3.52Å; V203-V213 HydrophobicContact CG2-CG2 4.26Å; I210-V213 HydrophobicContact CG2-CG2 3.62Å; V213-L229 HydrophobicContact CB-CD2 4.26Å; V213-L229 HydrophobicContact CG1-CD2 3.61Å; V213-L229 HydrophobicContact CG2-CD2 3.51Å; V213-L534 HydrophobicContact CB-CD2 3.93Å; V213-L534 HydrophobicContact CG1-CD2 3.12Å; V213-Q535 CarbonylContact O-C 3.58Å; V213-Q535 WeakPolarHBondContact O-CA 3.35Å; V213-M536 HydrophobicContact CB-CB 3.79Å; V213-M536 HydrophobicContact CB-CE 4.43Å; V213-M536 HydrophobicContact CG2-CB 4.19Å; V213-M536 HydrophobicContact CG2-CE 3.62Å; V213-M536 PolarHBondContact N-O 3.47Å; V213-M536 PolarHBondContact O-N 3.22Å
214	E	98	Very high	96.7	Very high	21 Å²	21	36.6 Å²	36.6	10%	0.098	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	126.9	167.1	170.1	161.4	117.4	0	0	110.4	L118 R121 T202 M212 R438 L534 Q535	L118-E214 HydrophobicContact CD1-CB 4.26Å; R121-E214 IonicContact NH1-OE2 3.46Å; R121-E214 PolarHBondContact NH1-OE2 3.47Å; T202-E214 PolarHBondContact N-O 3.04Å; T202-E214 PolarHBondContact O-N 3.36Å; M212-E214 HydrophobicContact SD-CB 4.27Å; E214-R438 IonicContact OE1-CZ 3.64Å; E214-R438 IonicContact OE1-NH1 2.82Å; E214-R438 IonicContact OE1-NH2 3.51Å; E214-R438 PolarHBondContact OE1-NH2 2.81Å; E214-L534 CarbonylContact C-O 3.5Å; E214-L534 WeakPolarHBondContact CA-O 3.48Å; E214-Q535 PolarHBondContact OE2-NE2 3.27Å
215	S	98	Very high	96.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150	-172.5	-179.9	0	0	0	0	113.6	D200 M225 R438 A533 L534	D200-S215 CarbonylContact O-C 3.59Å; D200-S215 WeakPolarHBondContact O-CA 3.47Å; D200-S215 WeakPolarHBondContact O-CB 3.41Å; D200-S215 PolarHBondContact O-OG 2.64Å; S215-M225 VanDerWaalsContact OG-CE 3.31Å; S215-M225 WeakPolarHBondContact OG-CE 3.31Å; S215-R438 VanDerWaalsContact C-CD 3.42Å; S215-R438 VanDerWaalsContact O-CD 3.27Å; S215-R438 WeakPolarHBondContact O-CD 3.48Å; S215-A533 CarbonylContact O-C 3.6Å; S215-A533 VanDerWaalsContact O-CA 3.23Å; S215-A533 WeakPolarHBondContact O-CA 3.29Å; S215-A533 WeakPolarHBondContact O-CB 3.42Å; S215-L534 PolarHBondContact N-O 3.23Å; S215-L534 PolarHBondContact O-N 2.92Å
216	G	97.8	Very high	96.8	Very high	3 Å²	3	37.7 Å²	37.7	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.9	160.7	0	0	0	0	0	109.4	D200 R438 T532	D200-G216 CarbonylContact C-O 3.55Å; D200-G216 WeakPolarHBondContact CA-O 3.26Å; D200-G216 PolarHBondContact N-O 2.78Å; D200-G216 PolarHBondContact O-N 3.46Å; D200-G216 VanDerWaalsContact O-O 3.06Å; G216-R438 VanDerWaalsContact CA-CD 3.48Å; G216-R438 VanDerWaalsContact N-CD 3.33Å; G216-T532 CarbonylContact C-O 3.57Å; G216-T532 VanDerWaalsContact CA-O 3.31Å; G216-T532 WeakPolarHBondContact CA-O 3.47Å
217	A	98.4	Very high	96.9	Very high	2 Å²	2	38 Å²	38	2%	0.017	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	152.2	-178	0	0	0	0	0	112.4	D198 E219 V220 M225 Q442 T532	D198-A217 CarbonylContact O-C 3.33Å; D198-A217 VanDerWaalsContact O-CA 3.27Å; D198-A217 WeakPolarHBondContact O-CA 3.24Å; D198-A217 WeakPolarHBondContact O-CB 3.22Å; A217-E219 PolarHBondContact O-N 3.31Å; A217-V220 HydrophobicContact CB-CB 4.38Å; A217-V220 HydrophobicContact CB-CG1 4.09Å; A217-V220 HydrophobicContact CB-CG2 3.55Å; A217-M225 HydrophobicContact CB-CE 3.81Å; A217-Q442 WeakPolarHBondContact O-CG 3.31Å; A217-T532 PolarHBondContact N-O 2.87Å; A217-T532 VanDerWaalsContact O-CA 3.28Å; A217-T532 WeakPolarHBondContact O-CA 3.36Å
218	K	97.8	Very high	97.1	Very high	105 Å²	105	30.8 Å²	30.8	46%	0.457	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	63.2	-179.9	-61.9	175.4	-177.4	155.8	0	110.7	S197 D198	S197-K218 WeakPolarHBondContact O-CE 3.41Å; S197-K218 PolarHBondContact O-NZ 2.85Å; D198-K218 HydrophobicContact CB-CB 4.05Å; D198-K218 HydrophobicContact CB-CD 4.21Å; D198-K218 HydrophobicContact CB-CG 4.43Å; D198-K218 PolarHBondContact O-N 3.34Å
219	E	98	Very high	97.3	Very high	20 Å²	20	23 Å²	23	9%	0.093	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.8	53.6	-179.7	-60.4	173.7	103.1	0	0	113.3	A217 K487 T527 I531 T532	A217-E219 PolarHBondContact O-N 3.31Å; E219-K487 VanDerWaalsContact OE2-CD 3.31Å; E219-K487 WeakPolarHBondContact OE2-CD 3.17Å; E219-K487 WeakPolarHBondContact OE2-CE 3.22Å; E219-K487 IonicContact OE2-NZ 3.62Å; E219-K487 PolarHBondContact OE2-NZ 3.38Å; E219-T527 HydrophobicContact CG-CG2 4.03Å; E219-T527 VanDerWaalsContact OE1-CB 3.24Å; E219-T527 WeakPolarHBondContact OE1-CB 3.41Å; E219-T527 WeakPolarHBondContact OE1-CG2 3.38Å; E219-T527 PolarHBondContact OE1-OG1 2.96Å; E219-I531 VanDerWaalsContact CA-O 3.23Å; E219-I531 WeakPolarHBondContact CA-O 3.48Å; E219-I531 PolarHBondContact N-O 2.93Å; E219-T532 HydrophobicContact CG-CG2 3.86Å
220	V	98.3	Very high	97.6	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.024	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	156	179.6	-55.8	0	0	0	0	112.3	D198 I199 A217 D224 M225 G530 I531	D198-V220 HydrophobicContact CB-CG1 4.41Å; D198-V220 WeakPolarHBondContact O-CG1 3.39Å; I199-V220 HydrophobicContact CD1-CG1 4.34Å; I199-V220 HydrophobicContact CD1-CG2 4.28Å; I199-V220 HydrophobicContact CG1-CB 4.38Å; I199-V220 HydrophobicContact CG1-CG1 3.78Å; I199-V220 HydrophobicContact CG1-CG2 4.13Å; A217-V220 HydrophobicContact CB-CB 4.38Å; A217-V220 HydrophobicContact CB-CG1 4.09Å; A217-V220 HydrophobicContact CB-CG2 3.55Å; V220-D224 HydrophobicContact CB-CB 4.48Å; V220-M225 HydrophobicContact CG2-CB 4.37Å; V220-M225 HydrophobicContact CG2-CE 3.78Å; V220-G530 CarbonylContact O-C 3.59Å; V220-G530 WeakPolarHBondContact O-CA 3.44Å; V220-I531 PolarHBondContact N-O 3.43Å; V220-I531 PolarHBondContact O-N 3.48Å
221	S	98.1	Very high	97.7	Very high	37 Å²	37	27.5 Å²	27.5	26%	0.259	14%	0.141	S	C	.	.			trans	-68.2	158.3	179.1	72	0	0	0	0	112.6	E223 D224 M225	S221-E223 PolarHBondContact O-N 3.04Å; S221-D224 PolarHBondContact O-N 3.22Å; S221-D224 WeakPolarHBondContact OG-CB 3.31Å; S221-D224 PolarHBondContact OG-N 3.47Å; S221-D224 PolarHBondContact OG-OD2 3.5Å; S221-M225 PolarHBondContact O-N 3.29Å
222	E	97.5	Very high	98	Very high	20 Å²	20	27.5 Å²	27.5	9%	0.093	14%	0.141	C	C	.	.	H	α-helix	trans	-59.4	-35.7	171.9	-68.3	72.7	-167.3	0	0	112	L226 I531 L552 K556 R559	E222-L226 WeakPolarHBondContact O-CB 3.47Å; E222-L226 PolarHBondContact O-N 3.09Å; E222-I531 HydrophobicContact CG-CD1 4.15Å; E222-L552 HydrophobicContact CB-CB 4.38Å; E222-L552 HydrophobicContact CG-CB 4.34Å; E222-K556 HydrophobicContact CG-CB 4.37Å; E222-K556 HydrophobicContact CG-CD 4.4Å; E222-K556 WeakPolarHBondContact OE1-CB 3.41Å; E222-K556 WeakPolarHBondContact OE1-CD 3.33Å; E222-K556 VanDerWaalsContact OE1-CG 3.3Å; E222-K556 WeakPolarHBondContact OE1-CG 3.33Å; E222-K556 IonicContact OE1-NZ 3.28Å; E222-K556 WeakPolarHBondContact OE2-CD 3.11Å; E222-K556 WeakPolarHBondContact OE2-CE 3.25Å; E222-K556 IonicContact OE2-NZ 3.44Å; E222-K556 PolarHBondContact OE2-NZ 2.9Å; E222-R559 IonicContact OE1-CZ 2.68Å; E222-R559 IonicContact OE1-NH2 2.63Å; E222-R559 PolarHBondContact OE1-NH2 3.09Å
223	E	97.4	Very high	98	Very high	160 Å²	160	28.6 Å²	28.6	75%	0.748	15%	0.146	S	C	*	.	H	α-helix	trans	-65.7	-46.2	178.6	-177	178.2	177.5	0	0	111.4	S221 L226 G227	S221-E223 PolarHBondContact O-N 3.04Å; E223-L226 PolarHBondContact O-N 3.04Å; E223-G227 PolarHBondContact O-N 3.22Å
224	D	98.1	Very high	98	Very high	47 Å²	47	32.9 Å²	32.9	25%	0.251	17%	0.169	S	C	.	.	H	α-helix	trans	-64.3	-42.4	177.1	-68.1	-42	0	0	0	111.7	R180 Y185 V220 S221 L226 G227 A228	R180-D224 IonicContact CZ-OD2 2.75Å; R180-D224 IonicContact NH1-OD1 3.74Å; R180-D224 PolarHBondContact NH1-OD1 3.41Å; R180-D224 IonicContact NH1-OD2 2.72Å; R180-D224 PolarHBondContact NH1-OD2 2.96Å; R180-D224 IonicContact NH2-OD2 2.75Å; Y185-D224 WeakPolarHBondContact OH-CA 3.49Å; Y185-D224 PolarHBondContact OH-O 2.99Å; V220-D224 HydrophobicContact CB-CB 4.48Å; S221-D224 PolarHBondContact O-N 3.22Å; S221-D224 WeakPolarHBondContact OG-CB 3.31Å; S221-D224 PolarHBondContact OG-N 3.47Å; S221-D224 PolarHBondContact OG-OD2 3.5Å; D224-L226 PolarHBondContact O-N 3.37Å; D224-G227 PolarHBondContact O-N 2.81Å; D224-A228 PolarHBondContact O-N 2.93Å
225	M	98.3	Very high	98	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-41.3	177.3	-176.2	56.3	67.5	0	0	111.6	I199 L201 S215 A217 V220 S221 G227 A228 L229 I531 L534	I199-M225 HydrophobicContact CG2-CE 4.25Å; L201-M225 HydrophobicContact CD1-SD 4.49Å; L201-M225 HydrophobicContact CD2-SD 4.28Å; S215-M225 VanDerWaalsContact OG-CE 3.31Å; S215-M225 WeakPolarHBondContact OG-CE 3.31Å; A217-M225 HydrophobicContact CB-CE 3.81Å; V220-M225 HydrophobicContact CG2-CB 4.37Å; V220-M225 HydrophobicContact CG2-CE 3.78Å; S221-M225 PolarHBondContact O-N 3.29Å; M225-G227 VanDerWaalsContact C-N 3.35Å; M225-A228 PolarHBondContact O-N 3.41Å; M225-L229 WeakPolarHBondContact O-CG 3.46Å; M225-L229 PolarHBondContact O-N 3.39Å; M225-I531 HydrophobicContact CB-CD1 3.89Å; M225-I531 HydrophobicContact CE-CG2 4.37Å; M225-I531 HydrophobicContact CG-CD1 4Å; M225-L534 HydrophobicContact CG-CD1 3.77Å
226	L	97.8	Very high	98.1	Very high	24 Å²	24	32.3 Å²	32.3	13%	0.126	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-43.4	173.3	-178.4	62	0	0	0	111.2	E222 E223 D224 A228 L229 L230 L548 L552	E222-L226 WeakPolarHBondContact O-CB 3.47Å; E222-L226 PolarHBondContact O-N 3.09Å; E223-L226 PolarHBondContact O-N 3.04Å; D224-L226 PolarHBondContact O-N 3.37Å; L226-A228 VanDerWaalsContact C-N 3.34Å; L226-A228 PolarHBondContact O-N 2.87Å; L226-L229 WeakPolarHBondContact O-CB 3.45Å; L226-L229 PolarHBondContact O-N 3.02Å; L226-L230 HydrophobicContact CD1-CD1 4.45Å; L226-L230 HydrophobicContact CD1-CG 4.4Å; L226-L230 HydrophobicContact CG-CD1 4.26Å; L226-L230 WeakPolarHBondContact O-CG 3.45Å; L226-L230 PolarHBondContact O-N 3.15Å; L226-L548 HydrophobicContact CD1-CB 4.1Å; L226-L552 HydrophobicContact CB-CD1 4.08Å; L226-L552 HydrophobicContact CD1-CD1 4.45Å
227	G	98.2	Very high	98.1	Very high	23 Å²	23	35.5 Å²	35.5	24%	0.237	18%	0.18	C	C	.	.	H	α-helix	trans	-57.7	-44.6	174.9	0	0	0	0	0	112.7	E223 D224 M225 L229 L230 F231	E223-G227 PolarHBondContact O-N 3.22Å; D224-G227 PolarHBondContact O-N 2.81Å; M225-G227 VanDerWaalsContact C-N 3.35Å; G227-L229 PolarHBondContact O-N 3.17Å; G227-L230 PolarHBondContact O-N 3.18Å; G227-F231 VanDerWaalsContact O-CB 3.32Å; G227-F231 WeakPolarHBondContact O-CB 3.13Å; G227-F231 PolarHBondContact O-N 3.38Å
228	A	98.7	Very high	98.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-40.1	176.4	0	0	0	0	0	112.3	V178 Y185 I199 L201 D224 M225 L226 F231 G232	V178-A228 HydrophobicContact CG1-CB 4.04Å; Y185-A228 HydrophobicContact CD1-CB 4.02Å; Y185-A228 HydrophobicContact CE1-CB 3.73Å; I199-A228 HydrophobicContact CD1-CB 4.13Å; I199-A228 HydrophobicContact CG2-CB 4.31Å; L201-A228 HydrophobicContact CD2-CB 3.62Å; D224-A228 PolarHBondContact O-N 2.93Å; M225-A228 PolarHBondContact O-N 3.41Å; L226-A228 VanDerWaalsContact C-N 3.34Å; L226-A228 PolarHBondContact O-N 2.87Å; A228-F231 PolarHBondContact O-N 3.17Å; A228-G232 PolarHBondContact O-N 2.98Å
229	L	98.1	Very high	98.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-46.9	175.7	-75	167.3	0	0	0	112.4	L201 V203 I210 V213 M225 L226 G227 G232 F233 L548	L201-L229 HydrophobicContact CD1-CD2 3.76Å; L201-L229 HydrophobicContact CD2-CD2 3.89Å; L201-L229 HydrophobicContact CD2-CG 4Å; L201-L229 HydrophobicContact CG-CD2 4.43Å; V203-L229 HydrophobicContact CB-CD2 4.21Å; V203-L229 HydrophobicContact CG2-CD2 4.03Å; I210-L229 HydrophobicContact CD1-CB 4.29Å; V213-L229 HydrophobicContact CB-CD2 4.26Å; V213-L229 HydrophobicContact CG1-CD2 3.61Å; V213-L229 HydrophobicContact CG2-CD2 3.51Å; M225-L229 WeakPolarHBondContact O-CG 3.46Å; M225-L229 PolarHBondContact O-N 3.39Å; L226-L229 WeakPolarHBondContact O-CB 3.45Å; L226-L229 PolarHBondContact O-N 3.02Å; G227-L229 PolarHBondContact O-N 3.17Å; L229-G232 PolarHBondContact O-N 2.95Å; L229-F233 WeakPolarHBondContact O-CB 3.17Å; L229-F233 PolarHBondContact O-N 3.39Å; L229-L548 HydrophobicContact CD1-CD2 4.47Å
230	L	97.8	Very high	98.1	Very high	39 Å²	39	36.3 Å²	36.3	20%	0.204	19%	0.186	C	C	.	.	H	α-helix	trans	-68.8	-39.7	-179.7	-63	175.7	0	0	0	111.7	L226 G227 G232 F233 D234 E545	L226-L230 HydrophobicContact CD1-CD1 4.45Å; L226-L230 HydrophobicContact CD1-CG 4.4Å; L226-L230 HydrophobicContact CG-CD1 4.26Å; L226-L230 WeakPolarHBondContact O-CG 3.45Å; L226-L230 PolarHBondContact O-N 3.15Å; G227-L230 PolarHBondContact O-N 3.18Å; L230-G232 PolarHBondContact O-N 3.31Å; L230-F233 WeakPolarHBondContact O-CB 3.44Å; L230-F233 PolarHBondContact O-N 3.02Å; L230-D234 PolarHBondContact O-N 3.28Å; L230-E545 VanDerWaalsContact CD1-CD 3.44Å; L230-E545 HydrophobicContact CD1-CG 3.92Å; L230-E545 WeakPolarHBondContact CD1-OE1 3.49Å; L230-E545 HydrophobicContact CD2-CB 4.04Å; L230-E545 HydrophobicContact CD2-CG 3.88Å; L230-E545 HydrophobicContact CG-CG 4.47Å
231	F	98.5	Very high	98.1	Very high	72 Å²	72	38.5 Å²	38.5	32%	0.316	20%	0.204	S	C	.	.	H	α-helix	trans	-59.2	-46.1	173.5	175.4	-99.6	0	0	0	111.9	V178 Y185 L187 G227 A228 F233 D234	V178-F231 HydrophobicContact CG1-CD1 3.77Å; V178-F231 HydrophobicContact CG1-CE1 4.26Å; V178-F231 HydrophobicContact CG2-CD1 4.41Å; Y185-F231 VanDerWaalsContact CB-CD1 3.48Å; Y185-F231 HydrophobicContact CD2-CB 4.01Å; Y185-F231 HydrophobicContact CD2-CD2 4.46Å; Y185-F231 HydrophobicContact CD2-CG 4.13Å; Y185-F231 HydrophobicContact CG-CB 4.4Å; Y185-F231 HydrophobicContact CG-CD1 4.27Å; Y185-F231 HydrophobicContact CG-CG 4.24Å; Y185-F231 WeakPolarHBondContact O-CZ 3.33Å; L187-F231 HydrophobicContact CB-CE1 4.46Å; L187-F231 HydrophobicContact CD1-CE1 4.42Å; L187-F231 HydrophobicContact CD1-CZ 4.36Å; L187-F231 HydrophobicContact CD2-CD1 3.87Å; L187-F231 HydrophobicContact CD2-CE1 3.47Å; L187-F231 VanDerWaalsContact CD2-CE1 3.47Å; L187-F231 HydrophobicContact CD2-CZ 4.21Å; L187-F231 HydrophobicContact CG-CD1 4.32Å; L187-F231 HydrophobicContact CG-CE1 3.44Å; L187-F231 VanDerWaalsContact CG-CE1 3.44Å; L187-F231 HydrophobicContact CG-CZ 3.75Å; G227-F231 VanDerWaalsContact O-CB 3.32Å; G227-F231 WeakPolarHBondContact O-CB 3.13Å; G227-F231 PolarHBondContact O-N 3.38Å; A228-F231 PolarHBondContact O-N 3.17Å; F231-F233 VanDerWaalsContact C-N 3.33Å; F231-F233 PolarHBondContact O-N 2.79Å; F231-D234 PolarHBondContact O-N 3.3Å
232	G	98.5	Very high	98.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-36.1	174.3	0	0	0	0	0	113	V176 A228 L229 L230 D234 A235 I236	V176-G232 WeakPolarHBondContact CG2-O 3.24Å; A228-G232 PolarHBondContact O-N 2.98Å; L229-G232 PolarHBondContact O-N 2.95Å; L230-G232 PolarHBondContact O-N 3.31Å; G232-D234 PolarHBondContact O-N 2.68Å; G232-A235 WeakPolarHBondContact O-CB 3.14Å; G232-A235 PolarHBondContact O-N 2.85Å; G232-I236 WeakPolarHBondContact O-CG1 3.42Å; G232-I236 PolarHBondContact O-N 3.24Å
233	F	97.7	Very high	98.2	Very high	24 Å²	24	36.2 Å²	36.2	11%	0.105	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-36.2	178.7	-178.1	-134	0	0	0	113.5	Q208 I210 L229 L230 F231 A235 I236 K237	Q208-F233 VanDerWaalsContact C-CZ 3.43Å; Q208-F233 WeakPolarHBondContact O-CZ 3.43Å; I210-F233 HydrophobicContact CD1-CB 3.91Å; I210-F233 HydrophobicContact CD1-CG 4.15Å; I210-F233 HydrophobicContact CG1-CB 3.94Å; I210-F233 HydrophobicContact CG1-CD1 4.4Å; I210-F233 HydrophobicContact CG1-CD2 3.71Å; I210-F233 HydrophobicContact CG1-CE2 4.36Å; I210-F233 HydrophobicContact CG1-CG 3.76Å; L229-F233 WeakPolarHBondContact O-CB 3.17Å; L229-F233 PolarHBondContact O-N 3.39Å; L230-F233 WeakPolarHBondContact O-CB 3.44Å; L230-F233 PolarHBondContact O-N 3.02Å; F231-F233 VanDerWaalsContact C-N 3.33Å; F231-F233 PolarHBondContact O-N 2.79Å; F233-A235 VanDerWaalsContact C-N 3.33Å; F233-A235 PolarHBondContact O-N 3Å; F233-I236 HydrophobicContact CD2-CB 4.45Å; F233-I236 WeakPolarHBondContact O-CB 3.32Å; F233-I236 PolarHBondContact O-N 2.84Å; F233-K237 HydrophobicContact CE2-CG 4.31Å; F233-K237 HydrophobicContact CZ-CD 4.48Å; F233-K237 HydrophobicContact CZ-CG 4.43Å; F233-K237 WeakPolarHBondContact O-CG 3.44Å; F233-K237 PolarHBondContact O-N 3.31Å; F233-K237 VanDerWaalsContact O-N 3.15Å
234	D	97.9	Very high	98.3	Very high	90 Å²	90	30.9 Å²	30.9	48%	0.481	17%	0.173	S	C	.	.	H	α-helix	trans	-63.5	-40.3	173.6	-75.7	-21.9	0	0	0	112	L230 F231 G232 I236 K237 E238	L230-D234 PolarHBondContact O-N 3.28Å; F231-D234 PolarHBondContact O-N 3.3Å; G232-D234 PolarHBondContact O-N 2.68Å; D234-I236 PolarHBondContact O-N 3.36Å; D234-K237 WeakPolarHBondContact O-CB 3Å; D234-K237 PolarHBondContact O-N 3.4Å; D234-K237 IonicContact OD1-NZ 3.44Å; D234-K237 PolarHBondContact OD1-NZ 2.86Å; D234-E238 PolarHBondContact O-N 3.07Å
235	A	98.2	Very high	98.3	Very high	8 Å²	8	33.5 Å²	33.5	7%	0.066	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-36.4	174.4	0	0	0	0	0	113	V176 L187 G232 F233 K237 E238 M239	V176-A235 HydrophobicContact CG1-CB 4.01Å; V176-A235 HydrophobicContact CG2-CB 4.47Å; L187-A235 HydrophobicContact CD1-CB 3.46Å; L187-A235 VanDerWaalsContact CD1-CB 3.46Å; L187-A235 HydrophobicContact CD2-CB 3.64Å; L187-A235 HydrophobicContact CG-CB 4.2Å; G232-A235 WeakPolarHBondContact O-CB 3.14Å; G232-A235 PolarHBondContact O-N 2.85Å; F233-A235 VanDerWaalsContact C-N 3.33Å; F233-A235 PolarHBondContact O-N 3Å; A235-K237 VanDerWaalsContact C-N 3.32Å; A235-K237 PolarHBondContact O-N 3.02Å; A235-E238 PolarHBondContact O-N 3.26Å; A235-M239 PolarHBondContact O-N 2.8Å; A235-M239 VanDerWaalsContact O-N 3.17Å
236	I	98.3	Very high	98.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.7	-44.2	174.4	-73.7	164.1	0	0	0	110.7	A174 V176 V203 G205 G232 F233 D234 E238 M239 V240	A174-I236 HydrophobicContact CB-CG2 4.23Å; V176-I236 HydrophobicContact CG2-CD1 4.34Å; V176-I236 HydrophobicContact CG2-CG1 4.1Å; V203-I236 HydrophobicContact CB-CD1 4.4Å; V203-I236 HydrophobicContact CG1-CD1 4.01Å; V203-I236 HydrophobicContact CG2-CD1 3.95Å; G205-I236 WeakPolarHBondContact O-CG2 3.49Å; G232-I236 WeakPolarHBondContact O-CG1 3.42Å; G232-I236 PolarHBondContact O-N 3.24Å; F233-I236 HydrophobicContact CD2-CB 4.45Å; F233-I236 WeakPolarHBondContact O-CB 3.32Å; F233-I236 PolarHBondContact O-N 2.84Å; D234-I236 PolarHBondContact O-N 3.36Å; I236-E238 VanDerWaalsContact C-N 3.28Å; I236-E238 PolarHBondContact O-N 2.79Å; I236-M239 PolarHBondContact O-N 2.81Å; I236-M239 VanDerWaalsContact O-N 3.14Å; I236-V240 HydrophobicContact CG2-CG2 4.12Å; I236-V240 WeakPolarHBondContact O-CB 3.31Å; I236-V240 WeakPolarHBondContact O-CG2 3.49Å; I236-V240 PolarHBondContact O-N 3.19Å
237	K	98	Very high	98.4	Very high	71 Å²	71	34.4 Å²	34.4	31%	0.309	19%	0.19	S	C	.	.	H	α-helix	trans	-58.6	-40.5	179.1	-66.1	168.2	-166.1	157.8	0	111.9	F233 D234 A235 A241	F233-K237 HydrophobicContact CE2-CG 4.31Å; F233-K237 HydrophobicContact CZ-CD 4.48Å; F233-K237 HydrophobicContact CZ-CG 4.43Å; F233-K237 WeakPolarHBondContact O-CG 3.44Å; F233-K237 PolarHBondContact O-N 3.31Å; F233-K237 VanDerWaalsContact O-N 3.15Å; D234-K237 WeakPolarHBondContact O-CB 3Å; D234-K237 PolarHBondContact O-N 3.4Å; D234-K237 IonicContact OD1-NZ 3.44Å; D234-K237 PolarHBondContact OD1-NZ 2.86Å; A235-K237 VanDerWaalsContact C-N 3.32Å; A235-K237 PolarHBondContact O-N 3.02Å; K237-A241 WeakPolarHBondContact O-CB 3.08Å; K237-A241 PolarHBondContact O-N 2.63Å
238	E	98.1	Very high	98.4	Very high	130 Å²	130	37.6 Å²	37.6	61%	0.607	21%	0.214	S	C	*	.	H	α-helix	trans	-63.2	-44.7	176.5	-63.5	-176.4	178.8	0	0	111.5	D234 A235 I236 A241 F242	D234-E238 PolarHBondContact O-N 3.07Å; A235-E238 PolarHBondContact O-N 3.26Å; I236-E238 VanDerWaalsContact C-N 3.28Å; I236-E238 PolarHBondContact O-N 2.79Å; E238-A241 WeakPolarHBondContact O-CB 3.46Å; E238-A241 PolarHBondContact O-N 3.04Å; E238-F242 PolarHBondContact O-N 3.06Å
239	M	98.6	Very high	98.3	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-72.1	-33.3	-179.3	-66.1	-56.1	97.1	0	0	113	T34 W36 L41 F156 A174 A235 I236 F242 Q243	T34-M239 HydrophobicContact CG2-CE 4.42Å; T34-M239 HydrophobicContact CG2-SD 4.45Å; W36-M239 HydrophobicContact CB-SD 4.1Å; W36-M239 VanDerWaalsContact CD1-SD 3.58Å; W36-M239 HydrophobicContact CD2-SD 4.49Å; W36-M239 HydrophobicContact CG-CG 4.37Å; W36-M239 HydrophobicContact CG-SD 3.85Å; L41-M239 HydrophobicContact CD2-SD 4.31Å; F156-M239 HydrophobicContact CE2-CB 4.38Å; A174-M239 HydrophobicContact CB-CB 3.64Å; A235-M239 PolarHBondContact O-N 2.8Å; A235-M239 VanDerWaalsContact O-N 3.17Å; I236-M239 PolarHBondContact O-N 2.81Å; I236-M239 VanDerWaalsContact O-N 3.14Å; M239-F242 PolarHBondContact O-N 3.2Å; M239-Q243 WeakPolarHBondContact O-CG 3.31Å; M239-Q243 PolarHBondContact O-N 2.87Å
240	V	98.6	Very high	98.3	Very high	8 Å²	8	41.7 Å²	41.7	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-41.9	170.9	167	0	0	0	0	110.6	P172 A174 K207 I236 Q243 A244	P172-V240 HydrophobicContact CG-CG1 4.13Å; A174-V240 HydrophobicContact CB-CG2 3.92Å; K207-V240 HydrophobicContact CB-CG1 3.86Å; I236-V240 HydrophobicContact CG2-CG2 4.12Å; I236-V240 WeakPolarHBondContact O-CB 3.31Å; I236-V240 WeakPolarHBondContact O-CG2 3.49Å; I236-V240 PolarHBondContact O-N 3.19Å; V240-Q243 PolarHBondContact O-N 3.45Å; V240-A244 PolarHBondContact O-N 2.94Å
241	A	98.7	Very high	98.3	Very high	50 Å²	50	41.4 Å²	41.4	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-43.7	175.3	0	0	0	0	0	111.8	K237 E238 Q243 A244 E245	K237-A241 WeakPolarHBondContact O-CB 3.08Å; K237-A241 PolarHBondContact O-N 2.63Å; E238-A241 WeakPolarHBondContact O-CB 3.46Å; E238-A241 PolarHBondContact O-N 3.04Å; A241-Q243 PolarHBondContact O-N 2.88Å; A241-A244 WeakPolarHBondContact O-CB 3.48Å; A241-A244 PolarHBondContact O-N 3.43Å; A241-A244 VanDerWaalsContact O-N 3.16Å; A241-E245 PolarHBondContact O-N 2.89Å
242	F	98.8	Very high	98.2	Very high	10 Å²	10	42.9 Å²	42.9	4%	0.044	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-42.2	175.7	179.1	-119.9	0	0	0	112.5	F32 T34 L41 V43 F156 E238 M239 A244 E245 I246	F32-F242 HydrophobicContact CB-CE2 4.17Å; F32-F242 HydrophobicContact CB-CZ 3.82Å; T34-F242 HydrophobicContact CG2-CD1 3.53Å; T34-F242 HydrophobicContact CG2-CD2 4.16Å; T34-F242 HydrophobicContact CG2-CE1 3.47Å; T34-F242 VanDerWaalsContact CG2-CE1 3.47Å; T34-F242 HydrophobicContact CG2-CE2 4.11Å; T34-F242 HydrophobicContact CG2-CG 3.88Å; T34-F242 HydrophobicContact CG2-CZ 3.77Å; L41-F242 HydrophobicContact CD2-CD1 4.44Å; L41-F242 HydrophobicContact CD2-CE1 4.2Å; V43-F242 HydrophobicContact CG2-CE1 4.09Å; F156-F242 HydrophobicContact CE2-CD1 4.28Å; F156-F242 AromaticContact CZ-CD1 3.82Å; F156-F242 HydrophobicContact CZ-CD1 3.82Å; F156-F242 HydrophobicContact CZ-CE1 4.06Å; E238-F242 PolarHBondContact O-N 3.06Å; M239-F242 PolarHBondContact O-N 3.2Å; F242-A244 VanDerWaalsContact C-N 3.33Å; F242-A244 PolarHBondContact O-N 2.82Å; F242-E245 PolarHBondContact O-N 2.75Å; F242-I246 HydrophobicContact CD1-CD1 4.16Å; F242-I246 HydrophobicContact CE1-CD1 3.72Å; F242-I246 HydrophobicContact CE2-CD1 4.29Å; F242-I246 HydrophobicContact CZ-CD1 3.8Å; F242-I246 HydrophobicContact CZ-CG1 4.47Å; F242-I246 WeakPolarHBondContact O-CG1 3.46Å; F242-I246 PolarHBondContact O-N 2.98Å
243	Q	98.8	Very high	98.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-40.5	173.5	-73.5	-178.9	74.4	0	0	111.9	F156 S159 L160 P172 I173 M239 V240 A241 E245 I246 V247	F156-Q243 HydrophobicContact CD2-CG 4.24Å; F156-Q243 HydrophobicContact CE1-CG 4.3Å; F156-Q243 HydrophobicContact CE2-CG 3.47Å; F156-Q243 VanDerWaalsContact CE2-CG 3.47Å; F156-Q243 HydrophobicContact CZ-CG 3.49Å; F156-Q243 VanDerWaalsContact CZ-CG 3.49Å; S159-Q243 PolarHBondContact OG-OE1 3.12Å; S159-Q243 VanDerWaalsContact OG-OE1 3.07Å; L160-Q243 HydrophobicContact CB-CG 4.35Å; L160-Q243 HydrophobicContact CD1-CB 4.05Å; L160-Q243 HydrophobicContact CD1-CG 4.09Å; P172-Q243 HydrophobicContact CB-CB 3.86Å; P172-Q243 HydrophobicContact CB-CG 4.43Å; P172-Q243 HydrophobicContact CG-CB 3.62Å; I173-Q243 PolarHBondContact O-NE2 2.93Å; M239-Q243 WeakPolarHBondContact O-CG 3.31Å; M239-Q243 PolarHBondContact O-N 2.87Å; V240-Q243 PolarHBondContact O-N 3.45Å; A241-Q243 PolarHBondContact O-N 2.88Å; Q243-E245 VanDerWaalsContact C-N 3.32Å; Q243-E245 PolarHBondContact O-N 3.38Å; Q243-I246 PolarHBondContact O-N 2.9Å; Q243-I246 VanDerWaalsContact O-N 3.16Å; Q243-V247 VanDerWaalsContact O-CG2 3.27Å; Q243-V247 WeakPolarHBondContact O-CG2 3.39Å; Q243-V247 PolarHBondContact O-N 3.22Å
244	A	98.6	Very high	98.2	Very high	48 Å²	48	54 Å²	54	40%	0.397	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-37.7	177.7	0	0	0	0	0	112.5	V240 A241 F242 V247 A248	V240-A244 PolarHBondContact O-N 2.94Å; A241-A244 WeakPolarHBondContact O-CB 3.48Å; A241-A244 PolarHBondContact O-N 3.43Å; A241-A244 VanDerWaalsContact O-N 3.16Å; F242-A244 VanDerWaalsContact C-N 3.33Å; F242-A244 PolarHBondContact O-N 2.82Å; A244-V247 PolarHBondContact O-N 2.97Å; A244-A248 WeakPolarHBondContact O-CB 3.4Å; A244-A248 PolarHBondContact O-N 3.3Å
245	E	98.6	Very high	98.1	Very high	102 Å²	102	52 Å²	52	48%	0.477	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-41.9	173.1	-69.2	176.2	-174.7	0	0	112.1	V9 A241 F242 Q243 A248 A249	V9-E245 WeakPolarHBondContact CG2-OE2 3.48Å; A241-E245 PolarHBondContact O-N 2.89Å; F242-E245 PolarHBondContact O-N 2.75Å; Q243-E245 VanDerWaalsContact C-N 3.32Å; Q243-E245 PolarHBondContact O-N 3.38Å; E245-A248 PolarHBondContact O-N 3.32Å; E245-A249 PolarHBondContact O-N 3.06Å; E245-A249 VanDerWaalsContact O-N 3.17Å
246	I	98.7	Very high	97.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-46	176.5	-61.8	172.4	0	0	0	110.4	F32 V43 I45 L160 I164 F242 Q243 A248 A249 V250	F32-I246 HydrophobicContact CB-CD1 3.87Å; F32-I246 HydrophobicContact CB-CG1 3.9Å; F32-I246 HydrophobicContact CD1-CG1 3.83Å; F32-I246 HydrophobicContact CD2-CD1 4.38Å; F32-I246 HydrophobicContact CD2-CG1 4.04Å; F32-I246 HydrophobicContact CD2-CG2 4.05Å; F32-I246 HydrophobicContact CE1-CG1 4.37Å; F32-I246 HydrophobicContact CE2-CG2 3.98Å; F32-I246 HydrophobicContact CG-CD1 4.09Å; F32-I246 HydrophobicContact CG-CG1 3.65Å; F32-I246 HydrophobicContact CZ-CG2 4.36Å; V43-I246 HydrophobicContact CB-CD1 4.17Å; V43-I246 HydrophobicContact CG1-CD1 4.39Å; V43-I246 HydrophobicContact CG2-CD1 4.04Å; I45-I246 HydrophobicContact CD1-CG2 3.45Å; I45-I246 VanDerWaalsContact CD1-CG2 3.45Å; L160-I246 HydrophobicContact CD1-CB 4.12Å; L160-I246 HydrophobicContact CD1-CG2 4.01Å; L160-I246 HydrophobicContact CD2-CD1 3.77Å; L160-I246 HydrophobicContact CD2-CG2 4.24Å; I164-I246 HydrophobicContact CG2-CG2 4.3Å; F242-I246 HydrophobicContact CD1-CD1 4.16Å; F242-I246 HydrophobicContact CE1-CD1 3.72Å; F242-I246 HydrophobicContact CE2-CD1 4.29Å; F242-I246 HydrophobicContact CZ-CD1 3.8Å; F242-I246 HydrophobicContact CZ-CG1 4.47Å; F242-I246 WeakPolarHBondContact O-CG1 3.46Å; F242-I246 PolarHBondContact O-N 2.98Å; Q243-I246 PolarHBondContact O-N 2.9Å; Q243-I246 VanDerWaalsContact O-N 3.16Å; I246-A248 VanDerWaalsContact C-N 3.29Å; I246-A248 PolarHBondContact O-N 2.93Å; I246-A249 WeakPolarHBondContact O-CB 3.36Å; I246-A249 PolarHBondContact O-N 3.19Å; I246-V250 HydrophobicContact CG2-CG2 3.95Å; I246-V250 WeakPolarHBondContact O-CG2 3.46Å; I246-V250 PolarHBondContact O-N 2.82Å
247	V	98.6	Very high	97.5	Very high	42 Å²	42	62.7 Å²	62.7	26%	0.255	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-40.7	177.8	174.7	0	0	0	0	110.8	L160 A163 I164 Q243 A244 A249 G251	L160-V247 HydrophobicContact CD1-CG2 4.04Å; A163-V247 HydrophobicContact CB-CG2 3.53Å; I164-V247 HydrophobicContact CG2-CG2 3.99Å; Q243-V247 VanDerWaalsContact O-CG2 3.27Å; Q243-V247 WeakPolarHBondContact O-CG2 3.39Å; Q243-V247 PolarHBondContact O-N 3.22Å; A244-V247 PolarHBondContact O-N 2.97Å; V247-A249 PolarHBondContact O-N 3.32Å; V247-G251 WeakPolarHBondContact O-CA 3.43Å; V247-G251 PolarHBondContact O-N 3.14Å
248	A	98.3	Very high	96.9	Very high	91 Å²	91	64.2 Å²	64.2	75%	0.752	37%	0.368	S	S	*	.	H	α-helix	trans	-62.8	-30.9	174.8	0	0	0	0	0	112.9	A244 E245 I246	A244-A248 WeakPolarHBondContact O-CB 3.4Å; A244-A248 PolarHBondContact O-N 3.3Å; E245-A248 PolarHBondContact O-N 3.32Å; I246-A248 VanDerWaalsContact C-N 3.29Å; I246-A248 PolarHBondContact O-N 2.93Å
249	A	97.7	Very high	96.4	Very high	53 Å²	53	60.6 Å²	60.6	44%	0.438	35%	0.352	S	S	.	.	H	α-helix	trans	-81.9	-36.4	-179.3	0	0	0	0	0	113.7	F32 E245 I246 V247	F32-A249 HydrophobicContact CE1-CB 3.87Å; F32-A249 HydrophobicContact CZ-CB 3.77Å; E245-A249 PolarHBondContact O-N 3.06Å; E245-A249 VanDerWaalsContact O-N 3.17Å; I246-A249 WeakPolarHBondContact O-CB 3.36Å; I246-A249 PolarHBondContact O-N 3.19Å; V247-A249 PolarHBondContact O-N 3.32Å
250	V	97.4	Very high	95.7	Very high	32 Å²	32	63.4 Å²	63.4	19%	0.194	37%	0.367	C	S	.	.	H	α-helix	trans	-136.7	0.2	-169.5	-55	0	0	0	0	115.6	Q30 F32 I45 I164 I246	Q30-V250 VanDerWaalsContact CD-CG1 3.41Å; F32-V250 HydrophobicContact CE2-CG1 4.27Å; F32-V250 HydrophobicContact CZ-CG1 4.05Å; I45-V250 HydrophobicContact CD1-CG2 3.75Å; I45-V250 HydrophobicContact CG2-CG2 4.31Å; I164-V250 HydrophobicContact CB-CG2 4.43Å; I164-V250 HydrophobicContact CG2-CG2 4Å; I246-V250 HydrophobicContact CG2-CG2 3.95Å; I246-V250 WeakPolarHBondContact O-CG2 3.46Å; I246-V250 PolarHBondContact O-N 2.82Å
251	G	97.2	Very high	95	Very high	34 Å²	34	70 Å²	70	35%	0.351	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-63	140.3	-178.2	0	0	0	0	0	112.2	V247	V247-G251 WeakPolarHBondContact O-CA 3.43Å; V247-G251 PolarHBondContact O-N 3.14Å
252	K	97.4	Very high	94.5	Very high	102 Å²	102	69.1 Å²	69.1	44%	0.443	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-85.1	153.9	174.8	-61.3	175.1	-176.7	178	0	110.7	N53 I164 D166	N53-K252 WeakPolarHBondContact O-CE 3.41Å; N53-K252 PolarHBondContact O-NZ 3.09Å; I164-K252 WeakPolarHBondContact O-CG 3.27Å; I164-K252 PolarHBondContact O-N 2.84Å; D166-K252 HydrophobicContact CB-CB 4.22Å; D166-K252 HydrophobicContact CB-CD 4.43Å
253	E	97.8	Very high	94	Very high	180 Å²	180	71.7 Å²	71.7	84%	0.841	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-59.5	138.9	164.8	-173.9	174.5	-174	0	0	109.7	D166	D166-E253 WeakPolarHBondContact CA-O 3.43Å; D166-E253 WeakPolarHBondContact CB-O 3.47Å
254	K	97.4	Very high	93.8	Very high	77 Å²	77	76.5 Å²	76.5	34%	0.335	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-74.8	134.1	-177.5	-54.7	-53.6	-176	176.5	0	109.9	L162 A163 S165 D166 I167 P168	L162-K254 PolarHBondContact O-NZ 3.2Å; A163-K254 PolarHBondContact O-NZ 3.09Å; S165-K254 PolarHBondContact O-NZ 2.94Å; D166-K254 CarbonylContact O-C 3.55Å; D166-K254 VanDerWaalsContact O-CA 3.28Å; D166-K254 WeakPolarHBondContact O-CA 3.27Å; I167-K254 WeakPolarHBondContact O-CD 3.48Å; I167-K254 PolarHBondContact O-NZ 3.49Å; P168-K254 HydrophobicContact CG-CB 4.38Å
255	M	95.4	Very high	93.5	Very high	48 Å²	48	81.8 Å²	81.8	24%	0.236	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-63.8	143.5	172.2	71.8	-175.9	-176.6	0	0	109.5	A71 D166 I167 P168 V257	A71-M255 HydrophobicContact CB-CE 3.78Å; D166-M255 WeakPolarHBondContact O-CG 3.4Å; D166-M255 PolarHBondContact O-N 3.16Å; I167-M255 HydrophobicContact CG2-CE 4.48Å; P168-M255 HydrophobicContact CG-CG 4.43Å; P168-M255 VanDerWaalsContact CG-O 3.24Å; P168-M255 WeakPolarHBondContact CG-O 3.15Å; M255-V257 HydrophobicContact CE-CG1 3.74Å; M255-V257 HydrophobicContact CG-CG1 4.11Å
256	E	93.1	Very high	93.3	Very high	196 Å²	196	77.2 Å²	77.2	92%	0.916	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-68.9	133.5	171.3	-66.1	-176.6	167.4	0	0	109.5
257	V	91.1	Very high	93.2	Very high	37 Å²	37	79.7 Å²	79.7	22%	0.224	44%	0.438	C	S	.	.			trans	-125.3	138	174.3	-64.6	0	0	0	0	108.6	F131 P168 M255 L259	F131-V257 HydrophobicContact CD2-CG2 4.02Å; F131-V257 HydrophobicContact CE2-CB 4.26Å; F131-V257 HydrophobicContact CE2-CG1 3.89Å; F131-V257 HydrophobicContact CE2-CG2 3.86Å; F131-V257 HydrophobicContact CZ-CG1 4.27Å; P168-V257 HydrophobicContact CB-CG2 4.44Å; P168-V257 HydrophobicContact CG-CG1 3.87Å; P168-V257 HydrophobicContact CG-CG2 3.89Å; M255-V257 HydrophobicContact CE-CG1 3.74Å; M255-V257 HydrophobicContact CG-CG1 4.11Å; V257-L259 HydrophobicContact CG2-CD2 3.89Å; V257-L259 HydrophobicContact CG2-CG 4.41Å; V257-L259 PolarHBondContact O-N 2.85Å
258	S	86.1	Confident	93.1	Very high	104 Å²	104	83.7 Å²	83.7	73%	0.727	45%	0.452	S	S	*	.			trans	-80.2	108.9	168.6	-176.6	0	0	0	0	107.6
259	L	88.4	Confident	93.1	Very high	53 Å²	53	83.5 Å²	83.5	28%	0.277	44%	0.436	S	S	.	.			trans	-76.4	139.4	171.2	-60.1	179.7	0	0	0	108.6	A128 F131 V257 Q261	A128-L259 HydrophobicContact CB-CD1 3.98Å; A128-L259 HydrophobicContact CB-CD2 4.1Å; F131-L259 HydrophobicContact CB-CD2 4.16Å; F131-L259 HydrophobicContact CD2-CD2 4.1Å; V257-L259 HydrophobicContact CG2-CD2 3.89Å; V257-L259 HydrophobicContact CG2-CG 4.41Å; V257-L259 PolarHBondContact O-N 2.85Å; L259-Q261 PolarHBondContact O-N 2.75Å; L259-Q261 VanDerWaalsContact O-N 3.14Å
260	L	83.2	Confident	93.1	Very high	65 Å²	65	81 Å²	81	34%	0.34	42%	0.415	S	S	.	.			trans	-62.7	117.1	169.7	-175.3	68.5	0	0	0	108.6	G130	G130-L260 PolarHBondContact O-N 3.07Å
261	Q	83.2	Confident	93.1	Very high	146 Å²	146	81.1 Å²	81.1	68%	0.682	41%	0.413	S	S	*	.			trans	-124.3	155.9	175.9	-68	-177.4	-19.7	0	0	108.7	L259	L259-Q261 PolarHBondContact O-N 2.75Å; L259-Q261 VanDerWaalsContact O-N 3.14Å
262	V	88.5	Confident	93.1	Very high	31 Å²	31	85 Å²	85	19%	0.188	43%	0.426	C	S	.	.			trans	-115.4	146.4	177.3	-61.6	0	0	0	0	109.3	P264 K267 E321 Q324 I325	V262-P264 WeakPolarHBondContact O-CD 3.44Å; V262-K267 HydrophobicContact CG2-CB 4.47Å; V262-K267 HydrophobicContact CG2-CD 4.08Å; V262-E321 HydrophobicContact CG1-CB 4.32Å; V262-E321 HydrophobicContact CG1-CG 4.35Å; V262-Q324 HydrophobicContact CG1-CB 3.87Å; V262-Q324 HydrophobicContact CG1-CG 3.76Å; V262-I325 HydrophobicContact CB-CD1 4.09Å; V262-I325 HydrophobicContact CB-CG1 3.82Å; V262-I325 HydrophobicContact CG1-CG1 3.99Å; V262-I325 HydrophobicContact CG2-CG1 4.02Å
263	D	89.6	Confident	93.1	Very high	64 Å²	64	82.7 Å²	82.7	34%	0.342	43%	0.43	S	S	.	.			trans	-58.7	119.8	174.5	177.8	-2.8	0	0	0	110.8	E265 L266 K267 E321	D263-E265 VanDerWaalsContact C-N 3.31Å; D263-E265 PolarHBondContact O-N 3.09Å; D263-E265 PolarHBondContact OD1-N 3.46Å; D263-L266 HydrophobicContact CB-CB 3.83Å; D263-L266 PolarHBondContact O-N 2.79Å; D263-K267 WeakPolarHBondContact O-CB 3.27Å; D263-K267 PolarHBondContact O-N 3.01Å; D263-E321 WeakPolarHBondContact CB-OE2 3.47Å; D263-E321 PolarHBondContact N-OE2 3.23Å
264	P	92.8	Very high	93.1	Very high	102 Å²	102	75.9 Å²	75.9	66%	0.662	40%	0.397	S	S	*	.	H	α-helix	trans	-60.8	-33.7	178.9	-23.3	34.2	0	0	0	114.5	V262 K268	V262-P264 WeakPolarHBondContact O-CD 3.44Å; P264-K268 WeakPolarHBondContact O-CB 3.45Å; P264-K268 PolarHBondContact O-N 3.19Å
265	E	93.9	Very high	93.2	Very high	158 Å²	158	74.5 Å²	74.5	74%	0.738	39%	0.39	S	S	*	.	H	α-helix	trans	-71.4	-43.6	179.3	-66.5	-170.3	174.7	0	0	110.4	D263 K268 E269	D263-E265 VanDerWaalsContact C-N 3.31Å; D263-E265 PolarHBondContact O-N 3.09Å; D263-E265 PolarHBondContact OD1-N 3.46Å; E265-K268 PolarHBondContact O-N 2.86Å; E265-E269 PolarHBondContact O-N 2.92Å
266	L	94	Very high	93.3	Very high	6 Å²	6	78.1 Å²	78.1	3%	0.031	41%	0.406	C	S	.	.	H	α-helix	trans	-62.4	-43.6	173.6	-175	56.6	0	0	0	111.7	D263 K268 E269 I270 Y305 F309 L318 V322 I325	D263-L266 HydrophobicContact CB-CB 3.83Å; D263-L266 PolarHBondContact O-N 2.79Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 3.19Å; L266-E269 PolarHBondContact O-N 2.85Å; L266-I270 HydrophobicContact CD1-CD1 4.04Å; L266-I270 HydrophobicContact CD1-CG1 4.39Å; L266-I270 HydrophobicContact CG-CD1 4.05Å; L266-I270 WeakPolarHBondContact O-CG1 3.05Å; L266-I270 PolarHBondContact O-N 2.55Å; L266-Y305 HydrophobicContact CD1-CD1 3.73Å; L266-Y305 HydrophobicContact CD1-CE1 3.49Å; L266-Y305 VanDerWaalsContact CD1-CE1 3.49Å; L266-F309 HydrophobicContact CD1-CE2 4.13Å; L266-F309 HydrophobicContact CD1-CZ 3.82Å; L266-F309 HydrophobicContact CD2-CE2 4.19Å; L266-F309 HydrophobicContact CD2-CZ 4.23Å; L266-L318 HydrophobicContact CD2-CD2 4.19Å; L266-V322 HydrophobicContact CD2-CG2 4.02Å; L266-I325 HydrophobicContact CB-CD1 4.14Å; L266-I325 HydrophobicContact CD2-CD1 3.95Å; L266-I325 HydrophobicContact CG-CD1 3.73Å
267	K	96.4	Very high	93.5	Very high	53 Å²	53	72.4 Å²	72.4	23%	0.23	39%	0.385	C	S	.	.	H	α-helix	trans	-57.1	-48.3	175.2	-179	165.7	-178.3	162.8	0	110.5	V262 D263 I270 F271 I325 D328 D332	V262-K267 HydrophobicContact CG2-CB 4.47Å; V262-K267 HydrophobicContact CG2-CD 4.08Å; D263-K267 WeakPolarHBondContact O-CB 3.27Å; D263-K267 PolarHBondContact O-N 3.01Å; K267-I270 PolarHBondContact O-N 2.84Å; K267-F271 HydrophobicContact CD-CE2 4.29Å; K267-F271 VanDerWaalsContact CE-CZ 3.41Å; K267-F271 HydrophobicContact CG-CD2 3.86Å; K267-F271 HydrophobicContact CG-CE2 3.76Å; K267-F271 HydrophobicContact CG-CZ 4.39Å; K267-F271 WeakPolarHBondContact O-CB 3.41Å; K267-F271 WeakPolarHBondContact O-CD2 3.34Å; K267-F271 PolarHBondContact O-N 3.34Å; K267-I325 HydrophobicContact CB-CD1 4.16Å; K267-I325 HydrophobicContact CB-CG1 4.14Å; K267-I325 HydrophobicContact CB-CG2 4.36Å; K267-I325 HydrophobicContact CG-CG1 4.47Å; K267-I325 HydrophobicContact CG-CG2 4.23Å; K267-D328 IonicContact NZ-OD2 2.65Å; K267-D328 PolarHBondContact NZ-OD2 2.81Å; K267-D332 IonicContact NZ-OD2 2.74Å
268	K	97.2	Very high	93.8	Very high	125 Å²	125	70.7 Å²	70.7	54%	0.543	38%	0.375	S	S	.	.	H	α-helix	trans	-61.8	-44.5	178.1	-173.5	-177.8	179.1	-60.5	0	112.3	P264 E265 L266 I270 F271 D272	P264-K268 WeakPolarHBondContact O-CB 3.45Å; P264-K268 PolarHBondContact O-N 3.19Å; E265-K268 PolarHBondContact O-N 2.86Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 3.19Å; K268-I270 PolarHBondContact O-N 3.23Å; K268-F271 PolarHBondContact O-N 2.8Å; K268-D272 IonicContact NZ-OD2 2.67Å; K268-D272 PolarHBondContact NZ-OD2 2.82Å; K268-D272 WeakPolarHBondContact O-CB 3.47Å; K268-D272 PolarHBondContact O-N 3.15Å
269	E	97.3	Very high	94.4	Very high	87 Å²	87	67.7 Å²	67.7	41%	0.407	35%	0.348	S	S	.	.	H	α-helix	trans	-59.3	-47	178.7	-169.1	-171.4	142.2	0	0	111.8	E265 L266 G273 Y305 K308	E265-E269 PolarHBondContact O-N 2.92Å; L266-E269 PolarHBondContact O-N 2.85Å; E269-G273 PolarHBondContact O-N 3.01Å; E269-G273 VanDerWaalsContact O-N 3.1Å; E269-Y305 WeakPolarHBondContact CG-OH 3.43Å; E269-Y305 PolarHBondContact OE1-OH 2.81Å; E269-K308 IonicContact OE1-NZ 3.28Å; E269-K308 PolarHBondContact OE1-NZ 2.91Å; E269-K308 IonicContact OE2-NZ 3.09Å; E269-K308 PolarHBondContact OE2-NZ 3.18Å
270	I	97.6	Very high	94.8	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-44.7	178.3	-68.7	169.7	0	0	0	110.7	L266 K267 K268 G273 Y274 V301 Y305 V322 I325 L329	L266-I270 HydrophobicContact CD1-CD1 4.04Å; L266-I270 HydrophobicContact CD1-CG1 4.39Å; L266-I270 HydrophobicContact CG-CD1 4.05Å; L266-I270 WeakPolarHBondContact O-CG1 3.05Å; L266-I270 PolarHBondContact O-N 2.55Å; K267-I270 PolarHBondContact O-N 2.84Å; K268-I270 PolarHBondContact O-N 3.23Å; I270-G273 PolarHBondContact O-N 3.18Å; I270-Y274 HydrophobicContact CG2-CD2 4.3Å; I270-Y274 WeakPolarHBondContact O-CB 3.44Å; I270-Y274 WeakPolarHBondContact O-CD2 3.4Å; I270-Y274 PolarHBondContact O-N 3.04Å; I270-V301 HydrophobicContact CD1-CG1 4.17Å; I270-V301 HydrophobicContact CG1-CG1 4.35Å; I270-V301 HydrophobicContact CG2-CG1 3.83Å; I270-V301 HydrophobicContact CG2-CG2 4.4Å; I270-Y305 HydrophobicContact CD1-CD1 4.47Å; I270-Y305 HydrophobicContact CD1-CD2 4.39Å; I270-Y305 HydrophobicContact CD1-CE1 4.24Å; I270-Y305 HydrophobicContact CD1-CE2 4.16Å; I270-Y305 HydrophobicContact CG1-CD2 4.22Å; I270-Y305 HydrophobicContact CG1-CE1 3.86Å; I270-Y305 HydrophobicContact CG1-CE2 3.52Å; I270-Y305 VanDerWaalsContact CG1-OH 3.29Å; I270-Y305 WeakPolarHBondContact CG1-OH 3.29Å; I270-V322 HydrophobicContact CD1-CG1 4.26Å; I270-V322 HydrophobicContact CD1-CG2 4.17Å; I270-I325 HydrophobicContact CB-CG2 3.73Å; I270-I325 HydrophobicContact CD1-CB 4.08Å; I270-I325 HydrophobicContact CD1-CD1 4.06Å; I270-I325 HydrophobicContact CD1-CG2 3.65Å; I270-I325 HydrophobicContact CG1-CG2 4.24Å; I270-I325 HydrophobicContact CG2-CG2 3.74Å; I270-L329 HydrophobicContact CG2-CD2 4.46Å
271	F	98	Very high	95.5	Very high	36 Å²	36	66.6 Å²	66.6	16%	0.158	35%	0.347	C	S	.	.	H	α-helix	trans	-60.5	-51.4	178.9	-87.6	-126.4	0	0	0	111	K267 K268 G273 Y274 Y275 I325 D328 L329 D332	K267-F271 HydrophobicContact CD-CE2 4.29Å; K267-F271 VanDerWaalsContact CE-CZ 3.41Å; K267-F271 HydrophobicContact CG-CD2 3.86Å; K267-F271 HydrophobicContact CG-CE2 3.76Å; K267-F271 HydrophobicContact CG-CZ 4.39Å; K267-F271 WeakPolarHBondContact O-CB 3.41Å; K267-F271 WeakPolarHBondContact O-CD2 3.34Å; K267-F271 PolarHBondContact O-N 3.34Å; K268-F271 PolarHBondContact O-N 2.8Å; F271-G273 PolarHBondContact O-N 2.97Å; F271-Y274 PolarHBondContact O-N 3.23Å; F271-Y275 WeakPolarHBondContact O-CB 3.5Å; F271-Y275 PolarHBondContact O-N 3.01Å; F271-I325 HydrophobicContact CD2-CG2 4.14Å; F271-I325 HydrophobicContact CE2-CG2 4Å; F271-D328 HydrophobicContact CE2-CB 4.41Å; F271-D328 HydrophobicContact CZ-CB 4.22Å; F271-L329 HydrophobicContact CB-CD1 4.43Å; F271-L329 HydrophobicContact CD1-CD1 3.88Å; F271-L329 HydrophobicContact CD2-CB 4.25Å; F271-L329 HydrophobicContact CD2-CD1 3.9Å; F271-L329 HydrophobicContact CE1-CD1 4.04Å; F271-L329 HydrophobicContact CE2-CB 3.77Å; F271-L329 HydrophobicContact CE2-CD1 4.05Å; F271-L329 HydrophobicContact CG-CD1 3.81Å; F271-L329 VanDerWaalsContact CZ-CA 3.49Å; F271-L329 HydrophobicContact CZ-CB 4.07Å; F271-L329 HydrophobicContact CZ-CD1 4.13Å; F271-D332 HydrophobicContact CE1-CB 3.87Å; F271-D332 WeakPolarHBondContact CE1-OD2 3.41Å; F271-D332 HydrophobicContact CZ-CB 4.23Å; F271-D332 WeakPolarHBondContact CZ-OD2 3.26Å
272	D	97.6	Very high	96.1	Very high	116 Å²	116	59.6 Å²	59.6	62%	0.62	32%	0.315	S	S	*	.	H	α-helix	trans	-59.1	-35.9	179.4	-73.1	-17.4	0	0	0	112	K268	K268-D272 IonicContact NZ-OD2 2.67Å; K268-D272 PolarHBondContact NZ-OD2 2.82Å; K268-D272 WeakPolarHBondContact O-CB 3.47Å; K268-D272 PolarHBondContact O-N 3.15Å
273	G	97	Very high	96.4	Very high	52 Å²	52	61.5 Å²	61.5	54%	0.536	32%	0.323	S	S	.	.	H	α-helix	trans	-77.9	-32.7	-178.6	0	0	0	0	0	115.1	E269 I270 F271	E269-G273 PolarHBondContact O-N 3.01Å; E269-G273 VanDerWaalsContact O-N 3.1Å; I270-G273 PolarHBondContact O-N 3.18Å; F271-G273 PolarHBondContact O-N 2.97Å
274	Y	98.2	Very high	96.7	Very high	37 Å²	37	60.2 Å²	60.2	15%	0.145	32%	0.317	C	S	.	.	H	α-helix	trans	-123	-6.5	-166.7	-67	-88.6	0	0	0	115.1	I270 F271 Q276 T277 M278 V297 T300 V301 Y305	I270-Y274 HydrophobicContact CG2-CD2 4.3Å; I270-Y274 WeakPolarHBondContact O-CB 3.44Å; I270-Y274 WeakPolarHBondContact O-CD2 3.4Å; I270-Y274 PolarHBondContact O-N 3.04Å; F271-Y274 PolarHBondContact O-N 3.23Å; Y274-Q276 PolarHBondContact O-N 3.35Å; Y274-T277 PolarHBondContact O-N 3.49Å; Y274-T277 VanDerWaalsContact O-N 3.17Å; Y274-M278 PolarHBondContact O-N 2.95Å; Y274-V297 HydrophobicContact CD1-CG1 4.4Å; Y274-T300 HydrophobicContact CE1-CG2 4.03Å; Y274-V301 HydrophobicContact CD1-CG2 3.55Å; Y274-V301 HydrophobicContact CD2-CG2 3.66Å; Y274-V301 HydrophobicContact CE1-CG2 3.75Å; Y274-V301 HydrophobicContact CE2-CG2 3.87Å; Y274-V301 HydrophobicContact CG-CG2 3.49Å; Y274-V301 VanDerWaalsContact CG-CG2 3.49Å; Y274-Y305 HydrophobicContact CE2-CE2 4.02Å
275	Y	97.7	Very high	96.6	Very high	49 Å²	49	61.7 Å²	61.7	19%	0.192	32%	0.317	C	S	.	.	H	α-helix	trans	-51.1	-51.6	-178.4	179.2	-84.1	0	0	0	113.1	F271 T277 M278 K279 L329 V333 E336	F271-Y275 WeakPolarHBondContact O-CB 3.5Å; F271-Y275 PolarHBondContact O-N 3.01Å; Y275-T277 VanDerWaalsContact C-N 3.32Å; Y275-T277 PolarHBondContact O-N 3.32Å; Y275-M278 PolarHBondContact O-N 2.93Å; Y275-K279 HydrophobicContact CE1-CD 3.84Å; Y275-K279 WeakPolarHBondContact O-CB 3.4Å; Y275-K279 PolarHBondContact O-N 2.89Å; Y275-L329 HydrophobicContact CD2-CD1 4.44Å; Y275-V333 HydrophobicContact CD2-CG2 3.6Å; Y275-V333 HydrophobicContact CE2-CG2 3.62Å; Y275-V333 HydrophobicContact CG-CG2 4.31Å; Y275-E336 WeakPolarHBondContact CE2-OE2 3.26Å; Y275-E336 VanDerWaalsContact CZ-OE2 3.27Å; Y275-E336 PolarHBondContact OH-OE1 2.93Å; Y275-E336 PolarHBondContact OH-OE2 2.66Å
276	Q	97.8	Very high	96.5	Very high	123 Å²	123	57.6 Å²	57.6	58%	0.575	30%	0.3	S	S	*	.	H	α-helix	trans	-69.7	-31.9	-175.6	-168.5	57.4	27.4	0	0	112.8	Y274 T280	Y274-Q276 PolarHBondContact O-N 3.35Å; Q276-T280 PolarHBondContact O-N 3.09Å; Q276-T280 VanDerWaalsContact O-N 3.08Å; Q276-T280 PolarHBondContact O-OG1 3.34Å
277	T	98.1	Very high	96.4	Very high	76 Å²	76	58.4 Å²	58.4	47%	0.466	30%	0.303	S	S	.	.	H	α-helix	trans	-68.2	-45.8	174.7	-47.4	0	0	0	0	110.1	Y274 Y275 T280 A281 V297	Y274-T277 PolarHBondContact O-N 3.49Å; Y274-T277 VanDerWaalsContact O-N 3.17Å; Y275-T277 VanDerWaalsContact C-N 3.32Å; Y275-T277 PolarHBondContact O-N 3.32Å; T277-T280 WeakPolarHBondContact O-CB 3.31Å; T277-T280 PolarHBondContact O-N 3.22Å; T277-A281 PolarHBondContact O-N 3.32Å; T277-V297 HydrophobicContact CG2-CG2 3.81Å
278	M	98.2	Very high	96.2	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-45.2	174.7	-174.6	61.4	77.9	0	0	111.7	Y274 Y275 T280 A281 V282 I294 V297 K298 L329 E330 V333	Y274-M278 PolarHBondContact O-N 2.95Å; Y275-M278 PolarHBondContact O-N 2.93Å; M278-T280 PolarHBondContact O-N 3.05Å; M278-A281 WeakPolarHBondContact O-CB 3.47Å; M278-A281 PolarHBondContact O-N 3.39Å; M278-A281 VanDerWaalsContact O-N 3.08Å; M278-V282 HydrophobicContact CG-CG2 4.18Å; M278-V282 WeakPolarHBondContact O-CB 3.35Å; M278-V282 WeakPolarHBondContact O-CG2 3.23Å; M278-V282 PolarHBondContact O-N 3.16Å; M278-V282 HydrophobicContact SD-CG2 4.18Å; M278-I294 HydrophobicContact SD-CG1 4.26Å; M278-I294 HydrophobicContact SD-CG2 4.13Å; M278-V297 HydrophobicContact CB-CG1 4.33Å; M278-V297 HydrophobicContact CE-CB 3.97Å; M278-V297 HydrophobicContact CE-CG1 3.69Å; M278-V297 HydrophobicContact SD-CB 4.43Å; M278-V297 HydrophobicContact SD-CG1 4.4Å; M278-K298 HydrophobicContact CE-CG 4.11Å; M278-L329 HydrophobicContact CB-CD2 4.07Å; M278-L329 HydrophobicContact CB-CG 4.1Å; M278-L329 HydrophobicContact CE-CD2 4.2Å; M278-L329 HydrophobicContact CE-CG 4.35Å; M278-L329 HydrophobicContact CG-CD2 4.45Å; M278-L329 HydrophobicContact CG-CG 4.1Å; M278-E330 HydrophobicContact CE-CB 4.28Å; M278-E330 HydrophobicContact SD-CB 4.23Å; M278-V333 HydrophobicContact CB-CG2 4.27Å; M278-V333 HydrophobicContact CG-CB 4.26Å; M278-V333 HydrophobicContact CG-CG1 4.37Å; M278-V333 HydrophobicContact CG-CG2 4.07Å
279	K	96.9	Very high	96	Very high	41 Å²	41	55.7 Å²	55.7	18%	0.178	30%	0.302	C	S	.	.	H	α-helix	trans	-56.7	-39.3	175.6	-177	164.2	179.9	147.1	0	111.9	Y275 M283 V333 L337 D341	Y275-K279 HydrophobicContact CE1-CD 3.84Å; Y275-K279 WeakPolarHBondContact O-CB 3.4Å; Y275-K279 PolarHBondContact O-N 2.89Å; K279-M283 WeakPolarHBondContact O-CB 3.35Å; K279-M283 WeakPolarHBondContact O-CG 3.49Å; K279-M283 PolarHBondContact O-N 3.05Å; K279-V333 HydrophobicContact CB-CG1 3.91Å; K279-V333 HydrophobicContact CG-CG1 4.43Å; K279-L337 HydrophobicContact CD-CD2 4.36Å; K279-L337 HydrophobicContact CG-CD1 4.41Å; K279-L337 HydrophobicContact CG-CD2 4.36Å; K279-D341 IonicContact NZ-OD2 3.72Å; K279-D341 PolarHBondContact NZ-OD2 3.23Å
280	T	97.1	Very high	95.9	Very high	90 Å²	90	51.9 Å²	51.9	55%	0.552	28%	0.284	S	S	*	.	H	α-helix	trans	-67.3	-43.9	175.4	-55.3	0	0	0	0	111.6	Q276 T277 M278 M283	Q276-T280 PolarHBondContact O-N 3.09Å; Q276-T280 VanDerWaalsContact O-N 3.08Å; Q276-T280 PolarHBondContact O-OG1 3.34Å; T277-T280 WeakPolarHBondContact O-CB 3.31Å; T277-T280 PolarHBondContact O-N 3.22Å; M278-T280 PolarHBondContact O-N 3.05Å; T280-M283 PolarHBondContact O-N 2.72Å
281	A	97.8	Very high	95.8	Very high	5 Å²	5	56.3 Å²	56.3	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-47.9	178.6	0	0	0	0	0	112.3	T277 M278 M283 T284 E293 I294 V297	T277-A281 PolarHBondContact O-N 3.32Å; M278-A281 WeakPolarHBondContact O-CB 3.47Å; M278-A281 PolarHBondContact O-N 3.39Å; M278-A281 VanDerWaalsContact O-N 3.08Å; A281-M283 PolarHBondContact O-N 3.01Å; A281-T284 VanDerWaalsContact O-CB 3.23Å; A281-T284 WeakPolarHBondContact O-CB 3.46Å; A281-T284 PolarHBondContact O-N 3.41Å; A281-T284 VanDerWaalsContact O-N 3.08Å; A281-T284 PolarHBondContact O-OG1 3.19Å; A281-E293 HydrophobicContact CB-CB 3.83Å; A281-I294 HydrophobicContact CB-CG1 4.13Å; A281-V297 HydrophobicContact CB-CG2 3.97Å
282	V	97	Very high	95.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.8	-36.2	178.2	165.7	0	0	0	0	112.1	M278 T284 R290 I294 V333 V334 L337 P345	M278-V282 HydrophobicContact CG-CG2 4.18Å; M278-V282 WeakPolarHBondContact O-CB 3.35Å; M278-V282 WeakPolarHBondContact O-CG2 3.23Å; M278-V282 PolarHBondContact O-N 3.16Å; M278-V282 HydrophobicContact SD-CG2 4.18Å; V282-T284 PolarHBondContact O-N 2.87Å; V282-R290 VanDerWaalsContact O-CD 3.31Å; V282-R290 WeakPolarHBondContact O-CD 3.21Å; V282-R290 PolarHBondContact O-NE 3.06Å; V282-I294 HydrophobicContact CG2-CD1 3.9Å; V282-I294 HydrophobicContact CG2-CG1 4.09Å; V282-V333 HydrophobicContact CB-CG1 4.48Å; V282-V333 HydrophobicContact CG2-CG1 4.22Å; V282-V334 HydrophobicContact CB-CG2 4.4Å; V282-V334 HydrophobicContact CG1-CG2 3.54Å; V282-V334 HydrophobicContact CG2-CG2 3.89Å; V282-L337 HydrophobicContact CG1-CD1 3.8Å; V282-P345 HydrophobicContact CG1-CB 4.16Å; V282-P345 HydrophobicContact CG1-CG 4.15Å; V282-P345 WeakPolarHBondContact O-CB 3.31Å
283	M	94.9	Very high	95.7	Very high	71 Å²	71	57.4 Å²	57.4	35%	0.35	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	5.4	-179.6	-71.4	-67.7	-60.2	0	0	114.1	K279 T280 A281 M285 L337 I343 P345	K279-M283 WeakPolarHBondContact O-CB 3.35Å; K279-M283 WeakPolarHBondContact O-CG 3.49Å; K279-M283 PolarHBondContact O-N 3.05Å; T280-M283 PolarHBondContact O-N 2.72Å; A281-M283 PolarHBondContact O-N 3.01Å; M283-M285 PolarHBondContact O-N 3.03Å; M283-L337 HydrophobicContact CG-CD1 4.26Å; M283-L337 HydrophobicContact SD-CD1 4.03Å; M283-L337 HydrophobicContact SD-CD2 4.21Å; M283-I343 HydrophobicContact CE-CG2 3.62Å; M283-I343 HydrophobicContact SD-CG2 3.81Å; M283-P345 CarbonylContact C-O 3.55Å
284	T	94.9	Very high	95.7	Very high	37 Å²	37	55.1 Å²	55.1	23%	0.227	29%	0.285	C	S	.	.			trans	-68.7	127	172	-58.8	0	0	0	0	109.8	A281 V282 A289 R290	A281-T284 VanDerWaalsContact O-CB 3.23Å; A281-T284 WeakPolarHBondContact O-CB 3.46Å; A281-T284 PolarHBondContact O-N 3.41Å; A281-T284 VanDerWaalsContact O-N 3.08Å; A281-T284 PolarHBondContact O-OG1 3.19Å; V282-T284 PolarHBondContact O-N 2.87Å; T284-A289 HydrophobicContact CG2-CB 3.75Å; T284-R290 HydrophobicContact CG2-CB 4.26Å; T284-R290 VanDerWaalsContact O-CZ 3.27Å; T284-R290 PolarHBondContact O-NE 3.05Å; T284-R290 PolarHBondContact O-NH2 3.04Å
285	M	90.7	Very high	95.7	Very high	133 Å²	133	57 Å²	57	66%	0.655	30%	0.295	S	S	*	.	S	Bend	trans	-73.5	-43.5	-169.9	-71	178.2	168.6	0	0	114.4	M283 R290	M283-M285 PolarHBondContact O-N 3.03Å; M285-R290 PolarHBondContact O-NH2 3.01Å
286	D	92.6	Very high	95.7	Very high	72 Å²	72	59.9 Å²	59.9	39%	0.385	31%	0.309	S	S	.	.	S	Bend	trans	-72.5	133.3	178.6	174.7	-100	0	0	0	110.7	L288 A289 R290 Q376	D286-L288 PolarHBondContact O-N 2.94Å; D286-L288 PolarHBondContact OD1-N 3.35Å; D286-L288 VanDerWaalsContact OD1-N 3.13Å; D286-A289 HydrophobicContact CB-CB 4.01Å; D286-A289 PolarHBondContact OD1-N 3.39Å; D286-R290 VanDerWaalsContact O-CB 3.23Å; D286-R290 WeakPolarHBondContact O-CB 3.4Å; D286-R290 PolarHBondContact O-N 2.9Å; D286-Q376 PolarHBondContact OD2-NE2 2.81Å
287	K	91.6	Very high	95.7	Very high	22 Å²	22	54.5 Å²	54.5	10%	0.096	28%	0.284	C	S	.	.	H	α-helix	trans	-55.1	-53	-176.5	-179.4	-161.9	167.8	-166.9	0	113.2	R290 E291 Q376 S463 N464	K287-R290 WeakPolarHBondContact O-CB 3.47Å; K287-R290 PolarHBondContact O-N 3.4Å; K287-E291 WeakPolarHBondContact CE-OE1 3.32Å; K287-E291 IonicContact NZ-OE1 2.79Å; K287-E291 WeakPolarHBondContact O-CG 3.06Å; K287-E291 PolarHBondContact O-N 3.48Å; K287-Q376 VanDerWaalsContact CB-OE1 3.29Å; K287-Q376 VanDerWaalsContact N-OE1 3.16Å; K287-S463 PolarHBondContact NZ-O 3.42Å; K287-N464 HydrophobicContact CD-CB 3.88Å
288	L	92	Very high	95.7	Very high	84 Å²	84	52 Å²	52	44%	0.44	27%	0.267	S	S	.	.	H	α-helix	trans	-72	-40.1	-173.2	-66.7	-179.8	0	0	0	110.6	D286 R290 E291 D292	D286-L288 PolarHBondContact O-N 2.94Å; D286-L288 PolarHBondContact OD1-N 3.35Å; D286-L288 VanDerWaalsContact OD1-N 3.13Å; L288-R290 VanDerWaalsContact C-N 3.27Å; L288-R290 PolarHBondContact O-N 2.89Å; L288-E291 PolarHBondContact O-N 3.33Å; L288-D292 PolarHBondContact O-N 3.42Å
289	A	94.1	Very high	95.7	Very high	38 Å²	38	55.8 Å²	55.8	31%	0.314	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-39.1	172.4	0	0	0	0	0	111.8	T284 D286 D292 E293	T284-A289 HydrophobicContact CG2-CB 3.75Å; D286-A289 HydrophobicContact CB-CB 4.01Å; D286-A289 PolarHBondContact OD1-N 3.39Å; A289-D292 PolarHBondContact O-N 3.24Å; A289-E293 WeakPolarHBondContact O-CG 3.26Å; A289-E293 PolarHBondContact O-N 3.11Å
290	R	94.8	Very high	95.8	Very high	6 Å²	6	56.8 Å²	56.8	2%	0.023	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-47.9	175.1	-173.4	-167.9	-57.6	141.8	10.2	111.7	V282 T284 M285 D286 K287 L288 D292 E293 I294	V282-R290 VanDerWaalsContact O-CD 3.31Å; V282-R290 WeakPolarHBondContact O-CD 3.21Å; V282-R290 PolarHBondContact O-NE 3.06Å; T284-R290 HydrophobicContact CG2-CB 4.26Å; T284-R290 VanDerWaalsContact O-CZ 3.27Å; T284-R290 PolarHBondContact O-NE 3.05Å; T284-R290 PolarHBondContact O-NH2 3.04Å; M285-R290 PolarHBondContact O-NH2 3.01Å; D286-R290 VanDerWaalsContact O-CB 3.23Å; D286-R290 WeakPolarHBondContact O-CB 3.4Å; D286-R290 PolarHBondContact O-N 2.9Å; K287-R290 WeakPolarHBondContact O-CB 3.47Å; K287-R290 PolarHBondContact O-N 3.4Å; L288-R290 VanDerWaalsContact C-N 3.27Å; L288-R290 PolarHBondContact O-N 2.89Å; R290-D292 VanDerWaalsContact C-N 3.31Å; R290-D292 PolarHBondContact O-N 2.73Å; R290-E293 PolarHBondContact O-N 3.43Å; R290-I294 HydrophobicContact CG-CD1 3.77Å; R290-I294 HydrophobicContact CG-CG1 4.38Å; R290-I294 WeakPolarHBondContact O-CB 3.47Å; R290-I294 VanDerWaalsContact O-CG1 3.26Å; R290-I294 WeakPolarHBondContact O-CG1 3.49Å; R290-I294 PolarHBondContact O-N 3.14Å
291	E	94.3	Very high	95.8	Very high	93 Å²	93	52.6 Å²	52.6	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-58.7	-43.9	177.1	-73.5	172.4	179.2	0	0	111	K287 L288 I294 E295	K287-E291 WeakPolarHBondContact CE-OE1 3.32Å; K287-E291 IonicContact NZ-OE1 2.79Å; K287-E291 WeakPolarHBondContact O-CG 3.06Å; K287-E291 PolarHBondContact O-N 3.48Å; L288-E291 PolarHBondContact O-N 3.33Å; E291-I294 PolarHBondContact O-N 3.12Å; E291-E295 WeakPolarHBondContact O-CB 3.34Å; E291-E295 PolarHBondContact O-N 2.92Å
292	D	96.4	Very high	95.7	Very high	100 Å²	100	54.9 Å²	54.9	54%	0.535	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-44.4	176.3	-75.8	-15.7	0	0	0	112.6	L288 A289 R290 E295 K296	L288-D292 PolarHBondContact O-N 3.42Å; A289-D292 PolarHBondContact O-N 3.24Å; R290-D292 VanDerWaalsContact C-N 3.31Å; R290-D292 PolarHBondContact O-N 2.73Å; D292-E295 PolarHBondContact O-N 2.88Å; D292-K296 VanDerWaalsContact O-CG 3.23Å; D292-K296 WeakPolarHBondContact O-CG 3.27Å; D292-K296 PolarHBondContact O-N 3.38Å
293	E	98	Very high	95.6	Very high	75 Å²	75	61.2 Å²	61.2	35%	0.35	31%	0.307	S	S	.	.	H	α-helix	trans	-67.6	-40.3	177.9	-69.4	-55	132.2	0	0	111.9	A281 A289 R290 K296 V297	A281-E293 HydrophobicContact CB-CB 3.83Å; A289-E293 WeakPolarHBondContact O-CG 3.26Å; A289-E293 PolarHBondContact O-N 3.11Å; R290-E293 PolarHBondContact O-N 3.43Å; E293-K296 PolarHBondContact O-N 2.91Å; E293-K296 IonicContact OE1-NZ 3.59Å; E293-K296 PolarHBondContact OE1-NZ 2.91Å; E293-V297 WeakPolarHBondContact O-CG2 3.47Å; E293-V297 PolarHBondContact O-N 3.32Å
294	I	97.7	Very high	95.6	Very high	5 Å²	5	61 Å²	61	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-46.7	174.8	-72.1	171.2	0	0	0	109.9	M278 A281 V282 R290 E291 K296 V297 K298 E330	M278-I294 HydrophobicContact SD-CG1 4.26Å; M278-I294 HydrophobicContact SD-CG2 4.13Å; A281-I294 HydrophobicContact CB-CG1 4.13Å; V282-I294 HydrophobicContact CG2-CD1 3.9Å; V282-I294 HydrophobicContact CG2-CG1 4.09Å; R290-I294 HydrophobicContact CG-CD1 3.77Å; R290-I294 HydrophobicContact CG-CG1 4.38Å; R290-I294 WeakPolarHBondContact O-CB 3.47Å; R290-I294 VanDerWaalsContact O-CG1 3.26Å; R290-I294 WeakPolarHBondContact O-CG1 3.49Å; R290-I294 PolarHBondContact O-N 3.14Å; E291-I294 PolarHBondContact O-N 3.12Å; I294-K296 VanDerWaalsContact C-N 3.33Å; I294-K296 PolarHBondContact O-N 3.18Å; I294-V297 PolarHBondContact O-N 3.17Å; I294-V297 VanDerWaalsContact O-N 3.13Å; I294-K298 HydrophobicContact CG2-CD 4.21Å; I294-K298 HydrophobicContact CG2-CG 4.5Å; I294-K298 WeakPolarHBondContact O-CG 3.26Å; I294-K298 PolarHBondContact O-N 3.45Å; I294-E330 HydrophobicContact CD1-CG 4.33Å; I294-E330 HydrophobicContact CG2-CG 4.11Å
295	E	97.2	Very high	95.6	Very high	76 Å²	76	59.6 Å²	59.6	36%	0.355	30%	0.3	S	S	.	.	H	α-helix	trans	-66	-36.1	-179.3	-164.7	57.8	-139.6	0	0	111.7	E291 D292 V297 K298 E299 K302	E291-E295 WeakPolarHBondContact O-CB 3.34Å; E291-E295 PolarHBondContact O-N 2.92Å; D292-E295 PolarHBondContact O-N 2.88Å; E295-V297 VanDerWaalsContact C-N 3.3Å; E295-V297 PolarHBondContact O-N 3.45Å; E295-K298 PolarHBondContact O-N 3.2Å; E295-E299 HydrophobicContact CG-CG 4.26Å; E295-E299 WeakPolarHBondContact O-CB 3.45Å; E295-E299 WeakPolarHBondContact O-CG 3.23Å; E295-E299 PolarHBondContact O-N 3.48Å; E295-K302 IonicContact OE1-NZ 3.73Å; E295-K302 PolarHBondContact OE1-NZ 3.31Å
296	K	98.1	Very high	95.7	Very high	110 Å²	110	55.4 Å²	55.4	48%	0.478	29%	0.286	S	S	.	.	H	α-helix	trans	-57.9	-41.6	171.6	-74.4	168.5	-163	170.3	0	112.3	D292 E293 I294 T300	D292-K296 VanDerWaalsContact O-CG 3.23Å; D292-K296 WeakPolarHBondContact O-CG 3.27Å; D292-K296 PolarHBondContact O-N 3.38Å; E293-K296 PolarHBondContact O-N 2.91Å; E293-K296 IonicContact OE1-NZ 3.59Å; E293-K296 PolarHBondContact OE1-NZ 2.91Å; I294-K296 VanDerWaalsContact C-N 3.33Å; I294-K296 PolarHBondContact O-N 3.18Å; K296-T300 WeakPolarHBondContact O-CB 3.27Å; K296-T300 PolarHBondContact O-N 3.13Å; K296-T300 PolarHBondContact O-OG1 2.98Å
297	V	98.4	Very high	95.7	Very high	10 Å²	10	59.7 Å²	59.7	6%	0.061	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-46.2	176.2	-179.6	0	0	0	0	110.2	Y274 T277 M278 A281 E293 I294 E295 T300 V301	Y274-V297 HydrophobicContact CD1-CG1 4.4Å; T277-V297 HydrophobicContact CG2-CG2 3.81Å; M278-V297 HydrophobicContact CB-CG1 4.33Å; M278-V297 HydrophobicContact CE-CB 3.97Å; M278-V297 HydrophobicContact CE-CG1 3.69Å; M278-V297 HydrophobicContact SD-CB 4.43Å; M278-V297 HydrophobicContact SD-CG1 4.4Å; A281-V297 HydrophobicContact CB-CG2 3.97Å; E293-V297 WeakPolarHBondContact O-CG2 3.47Å; E293-V297 PolarHBondContact O-N 3.32Å; I294-V297 PolarHBondContact O-N 3.17Å; I294-V297 VanDerWaalsContact O-N 3.13Å; E295-V297 VanDerWaalsContact C-N 3.3Å; E295-V297 PolarHBondContact O-N 3.45Å; V297-T300 PolarHBondContact O-N 2.82Å; V297-V301 WeakPolarHBondContact O-CG2 3.29Å; V297-V301 PolarHBondContact O-N 2.83Å
298	K	98	Very high	95.8	Very high	24 Å²	24	63.6 Å²	63.6	10%	0.104	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-45.5	178.8	-67	178.3	179.4	175.3	0	112.3	M278 I294 E295 V301 K302 A326 E330	M278-K298 HydrophobicContact CE-CG 4.11Å; I294-K298 HydrophobicContact CG2-CD 4.21Å; I294-K298 HydrophobicContact CG2-CG 4.5Å; I294-K298 WeakPolarHBondContact O-CG 3.26Å; I294-K298 PolarHBondContact O-N 3.45Å; E295-K298 PolarHBondContact O-N 3.2Å; K298-V301 PolarHBondContact O-N 2.61Å; K298-K302 WeakPolarHBondContact O-CE 3.22Å; K298-K302 VanDerWaalsContact O-CG 3.27Å; K298-K302 WeakPolarHBondContact O-CG 3.41Å; K298-K302 PolarHBondContact O-N 3.27Å; K298-A326 HydrophobicContact CB-CB 4.34Å; K298-A326 HydrophobicContact CG-CB 4.15Å; K298-E330 WeakPolarHBondContact CE-OE2 3.28Å; K298-E330 IonicContact NZ-OE2 3.76Å; K298-E330 PolarHBondContact NZ-OE2 3.35Å
299	E	97.6	Very high	95.8	Very high	79 Å²	79	60.6 Å²	60.6	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-42.1	176.6	-72.5	-59.8	135.7	0	0	111.4	E295 V301 K302 E303	E295-E299 HydrophobicContact CG-CG 4.26Å; E295-E299 WeakPolarHBondContact O-CB 3.45Å; E295-E299 WeakPolarHBondContact O-CG 3.23Å; E295-E299 PolarHBondContact O-N 3.48Å; E299-V301 VanDerWaalsContact C-N 3.31Å; E299-V301 PolarHBondContact O-N 2.55Å; E299-K302 PolarHBondContact O-N 3.44Å; E299-K302 VanDerWaalsContact O-N 3.14Å; E299-K302 IonicContact OE1-NZ 2.83Å; E299-K302 PolarHBondContact OE1-NZ 2.92Å; E299-E303 WeakPolarHBondContact O-CB 3.21Å; E299-E303 WeakPolarHBondContact O-CG 3.48Å; E299-E303 PolarHBondContact O-N 3.09Å
300	T	97.7	Very high	95.4	Very high	63 Å²	63	61.1 Å²	61.1	39%	0.387	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-43.9	174.7	-56.9	0	0	0	0	111.4	Y274 K296 V297 E303 V304	Y274-T300 HydrophobicContact CE1-CG2 4.03Å; K296-T300 WeakPolarHBondContact O-CB 3.27Å; K296-T300 PolarHBondContact O-N 3.13Å; K296-T300 PolarHBondContact O-OG1 2.98Å; V297-T300 PolarHBondContact O-N 2.82Å; T300-E303 PolarHBondContact O-N 3.18Å; T300-V304 HydrophobicContact CG2-CG2 4.45Å; T300-V304 WeakPolarHBondContact O-CB 3.38Å; T300-V304 VanDerWaalsContact O-CG2 3.3Å; T300-V304 WeakPolarHBondContact O-CG2 3.48Å; T300-V304 PolarHBondContact O-N 2.94Å
301	V	97.3	Very high	95.1	Very high	1 Å²	1	69 Å²	69	1%	0.006	35%	0.351	C	S	.	.	H	α-helix	trans	-61.6	-48.6	174.9	172.8	0	0	0	0	110.4	I270 Y274 V297 K298 E299 E303 V304 Y305 V322 A326	I270-V301 HydrophobicContact CD1-CG1 4.17Å; I270-V301 HydrophobicContact CG1-CG1 4.35Å; I270-V301 HydrophobicContact CG2-CG1 3.83Å; I270-V301 HydrophobicContact CG2-CG2 4.4Å; Y274-V301 HydrophobicContact CD1-CG2 3.55Å; Y274-V301 HydrophobicContact CD2-CG2 3.66Å; Y274-V301 HydrophobicContact CE1-CG2 3.75Å; Y274-V301 HydrophobicContact CE2-CG2 3.87Å; Y274-V301 HydrophobicContact CG-CG2 3.49Å; Y274-V301 VanDerWaalsContact CG-CG2 3.49Å; V297-V301 WeakPolarHBondContact O-CG2 3.29Å; V297-V301 PolarHBondContact O-N 2.83Å; K298-V301 PolarHBondContact O-N 2.61Å; E299-V301 VanDerWaalsContact C-N 3.31Å; E299-V301 PolarHBondContact O-N 2.55Å; V301-E303 PolarHBondContact O-N 3.47Å; V301-V304 PolarHBondContact O-N 3.34Å; V301-Y305 HydrophobicContact CG1-CD2 4.13Å; V301-Y305 HydrophobicContact CG1-CE2 4.36Å; V301-Y305 VanDerWaalsContact O-CD2 3.27Å; V301-Y305 WeakPolarHBondContact O-CD2 3.34Å; V301-Y305 PolarHBondContact O-N 3.34Å; V301-Y305 VanDerWaalsContact O-N 3.16Å; V301-V322 HydrophobicContact CG1-CG1 3.85Å; V301-A326 HydrophobicContact CG1-CB 4.33Å
302	K	95.6	Very high	94.8	Very high	53 Å²	53	68.8 Å²	68.8	23%	0.23	35%	0.351	C	S	.	.	H	α-helix	trans	-58.2	-45.9	179	-68.9	170.1	-136.2	168.7	0	111.6	E295 K298 E299 A306	E295-K302 IonicContact OE1-NZ 3.73Å; E295-K302 PolarHBondContact OE1-NZ 3.31Å; K298-K302 WeakPolarHBondContact O-CE 3.22Å; K298-K302 VanDerWaalsContact O-CG 3.27Å; K298-K302 WeakPolarHBondContact O-CG 3.41Å; K298-K302 PolarHBondContact O-N 3.27Å; E299-K302 PolarHBondContact O-N 3.44Å; E299-K302 VanDerWaalsContact O-N 3.14Å; E299-K302 IonicContact OE1-NZ 2.83Å; E299-K302 PolarHBondContact OE1-NZ 2.92Å; K302-A306 WeakPolarHBondContact O-CB 3.24Å; K302-A306 PolarHBondContact O-N 2.91Å
303	E	95.8	Very high	94.4	Very high	133 Å²	133	73.3 Å²	73.3	62%	0.621	37%	0.369	S	S	*	.	H	α-helix	trans	-64.3	-49	-179.4	-72.6	178.2	171.9	0	0	112.5	E299 T300 V301 Y305 A306 E307	E299-E303 WeakPolarHBondContact O-CB 3.21Å; E299-E303 WeakPolarHBondContact O-CG 3.48Å; E299-E303 PolarHBondContact O-N 3.09Å; T300-E303 PolarHBondContact O-N 3.18Å; V301-E303 PolarHBondContact O-N 3.47Å; E303-Y305 VanDerWaalsContact C-N 3.31Å; E303-Y305 PolarHBondContact O-N 3.25Å; E303-A306 PolarHBondContact O-N 2.81Å; E303-E307 PolarHBondContact O-N 3.39Å
304	V	95.3	Very high	93.8	Very high	66 Å²	66	74.5 Å²	74.5	40%	0.4	38%	0.377	S	S	.	.	H	α-helix	trans	-61	-41	-178.7	168.6	0	0	0	0	111.5	T300 V301 K308	T300-V304 HydrophobicContact CG2-CG2 4.45Å; T300-V304 WeakPolarHBondContact O-CB 3.38Å; T300-V304 VanDerWaalsContact O-CG2 3.3Å; T300-V304 WeakPolarHBondContact O-CG2 3.48Å; T300-V304 PolarHBondContact O-N 2.94Å; V301-V304 PolarHBondContact O-N 3.34Å; V304-K308 PolarHBondContact O-N 2.99Å; V304-K308 VanDerWaalsContact O-N 3.09Å
305	Y	95.3	Very high	93.2	Very high	9 Å²	9	78.6 Å²	78.6	4%	0.035	40%	0.396	C	S	.	.	H	α-helix	trans	-84.7	-26.1	-178.8	-74	-97	0	0	0	113.2	L266 E269 I270 Y274 V301 E303 E307 K308 F309 V322	L266-Y305 HydrophobicContact CD1-CD1 3.73Å; L266-Y305 HydrophobicContact CD1-CE1 3.49Å; L266-Y305 VanDerWaalsContact CD1-CE1 3.49Å; E269-Y305 WeakPolarHBondContact CG-OH 3.43Å; E269-Y305 PolarHBondContact OE1-OH 2.81Å; I270-Y305 HydrophobicContact CD1-CD1 4.47Å; I270-Y305 HydrophobicContact CD1-CD2 4.39Å; I270-Y305 HydrophobicContact CD1-CE1 4.24Å; I270-Y305 HydrophobicContact CD1-CE2 4.16Å; I270-Y305 HydrophobicContact CG1-CD2 4.22Å; I270-Y305 HydrophobicContact CG1-CE1 3.86Å; I270-Y305 HydrophobicContact CG1-CE2 3.52Å; I270-Y305 VanDerWaalsContact CG1-OH 3.29Å; I270-Y305 WeakPolarHBondContact CG1-OH 3.29Å; Y274-Y305 HydrophobicContact CE2-CE2 4.02Å; V301-Y305 HydrophobicContact CG1-CD2 4.13Å; V301-Y305 HydrophobicContact CG1-CE2 4.36Å; V301-Y305 VanDerWaalsContact O-CD2 3.27Å; V301-Y305 WeakPolarHBondContact O-CD2 3.34Å; V301-Y305 PolarHBondContact O-N 3.34Å; V301-Y305 VanDerWaalsContact O-N 3.16Å; E303-Y305 VanDerWaalsContact C-N 3.31Å; E303-Y305 PolarHBondContact O-N 3.25Å; Y305-E307 VanDerWaalsContact C-N 3.31Å; Y305-K308 HydrophobicContact CD1-CD 3.83Å; Y305-K308 HydrophobicContact CE1-CD 4.03Å; Y305-K308 PolarHBondContact O-N 3.47Å; Y305-F309 AromaticContact CD1-CE2 3.71Å; Y305-F309 HydrophobicContact CD1-CE2 3.71Å; Y305-F309 HydrophobicContact CD1-CZ 4.01Å; Y305-F309 HydrophobicContact CG-CE2 4.34Å; Y305-F309 WeakPolarHBondContact O-CB 3.14Å; Y305-F309 WeakPolarHBondContact O-CD2 3.49Å; Y305-F309 WeakPolarHBondContact O-CG 3.24Å; Y305-F309 PolarHBondContact O-N 2.88Å; Y305-V322 HydrophobicContact CD1-CG2 4.44Å; Y305-V322 HydrophobicContact CG-CG1 4.49Å; Y305-V322 HydrophobicContact CG-CG2 4.22Å
306	A	92.9	Very high	92.6	Very high	44 Å²	44	78.6 Å²	78.6	36%	0.364	41%	0.409	S	S	.	.	H	α-helix	trans	-61.1	-42.5	167.1	0	0	0	0	0	110.8	K302 E303 F309 A310	K302-A306 WeakPolarHBondContact O-CB 3.24Å; K302-A306 PolarHBondContact O-N 2.91Å; E303-A306 PolarHBondContact O-N 2.81Å; A306-F309 PolarHBondContact O-N 3.19Å; A306-A310 PolarHBondContact O-N 3.33Å
307	E	92.4	Very high	92	Very high	163 Å²	163	77.3 Å²	77.3	76%	0.762	41%	0.405	S	S	*	.	H	α-helix	trans	-65.3	-41	173.6	-171.8	176.9	-179.1	0	0	111.8	E303 Y305 F309	E303-E307 PolarHBondContact O-N 3.39Å; Y305-E307 VanDerWaalsContact C-N 3.31Å; E307-F309 VanDerWaalsContact C-N 3.27Å; E307-F309 PolarHBondContact O-N 3.41Å
308	K	92.1	Very high	91.5	Very high	103 Å²	103	77.7 Å²	77.7	45%	0.448	41%	0.406	S	S	.	.	H	α-helix	trans	-61.3	-33.8	176.9	-170.9	-177.4	177.5	-173.3	0	112.9	E269 V304 Y305	E269-K308 IonicContact OE1-NZ 3.28Å; E269-K308 PolarHBondContact OE1-NZ 2.91Å; E269-K308 IonicContact OE2-NZ 3.09Å; E269-K308 PolarHBondContact OE2-NZ 3.18Å; V304-K308 PolarHBondContact O-N 2.99Å; V304-K308 VanDerWaalsContact O-N 3.09Å; Y305-K308 HydrophobicContact CD1-CD 3.83Å; Y305-K308 HydrophobicContact CE1-CD 4.03Å; Y305-K308 PolarHBondContact O-N 3.47Å
309	F	92.5	Very high	91.1	Very high	21 Å²	21	79.6 Å²	79.6	9%	0.092	42%	0.42	C	S	.	.	H	α-helix	trans	-108	5.8	-173.4	-59.1	-47.8	0	0	0	114.9	L266 Y305 A306 E307 D311 H312 L318 V322	L266-F309 HydrophobicContact CD1-CE2 4.13Å; L266-F309 HydrophobicContact CD1-CZ 3.82Å; L266-F309 HydrophobicContact CD2-CE2 4.19Å; L266-F309 HydrophobicContact CD2-CZ 4.23Å; Y305-F309 AromaticContact CD1-CE2 3.71Å; Y305-F309 HydrophobicContact CD1-CE2 3.71Å; Y305-F309 HydrophobicContact CD1-CZ 4.01Å; Y305-F309 HydrophobicContact CG-CE2 4.34Å; Y305-F309 WeakPolarHBondContact O-CB 3.14Å; Y305-F309 WeakPolarHBondContact O-CD2 3.49Å; Y305-F309 WeakPolarHBondContact O-CG 3.24Å; Y305-F309 PolarHBondContact O-N 2.88Å; A306-F309 PolarHBondContact O-N 3.19Å; E307-F309 VanDerWaalsContact C-N 3.27Å; E307-F309 PolarHBondContact O-N 3.41Å; F309-D311 PolarHBondContact O-N 2.87Å; F309-H312 HydrophobicContact CB-CB 4.16Å; F309-H312 HydrophobicContact CD1-CB 4.48Å; F309-H312 VanDerWaalsContact O-CB 3.29Å; F309-H312 WeakPolarHBondContact O-CB 3.48Å; F309-H312 PolarHBondContact O-N 2.87Å; F309-L318 HydrophobicContact CB-CD1 4.3Å; F309-L318 HydrophobicContact CD1-CD1 3.72Å; F309-L318 HydrophobicContact CD2-CB 3.93Å; F309-L318 HydrophobicContact CD2-CD1 4.19Å; F309-L318 HydrophobicContact CE1-CD1 3.99Å; F309-L318 HydrophobicContact CE2-CB 4.19Å; F309-L318 HydrophobicContact CE2-CD1 4.43Å; F309-L318 HydrophobicContact CG-CB 4.31Å; F309-L318 HydrophobicContact CG-CD1 3.84Å; F309-L318 HydrophobicContact CZ-CD1 4.33Å; F309-L318 HydrophobicContact CZ-CD2 4.49Å; F309-V322 HydrophobicContact CD2-CG2 4.49Å; F309-V322 HydrophobicContact CE2-CG2 3.98Å
310	A	86.9	Confident	90.6	Very high	50 Å²	50	80.1 Å²	80.1	41%	0.413	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.2	-173.7	0	0	0	0	0	115.5	A306	A306-A310 PolarHBondContact O-N 3.33Å
311	D	87.2	Confident	90.2	Very high	170 Å²	170	78.2 Å²	78.2	91%	0.909	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	15	177.5	-65.5	-53.8	0	0	0	112.8	F309	F309-D311 PolarHBondContact O-N 2.87Å
312	H	89	Confident	90.1	Very high	90 Å²	90	78.3 Å²	78.3	42%	0.417	41%	0.409	S	S	.	.			trans	-82	138.1	-179.7	-162.3	-84	0	0	0	111.2	F309 D314 E315 L318	F309-H312 HydrophobicContact CB-CB 4.16Å; F309-H312 HydrophobicContact CD1-CB 4.48Å; F309-H312 VanDerWaalsContact O-CB 3.29Å; F309-H312 WeakPolarHBondContact O-CB 3.48Å; F309-H312 PolarHBondContact O-N 2.87Å; H312-D314 IonicContact CE1-OD2 3.42Å; H312-D314 PolarHBondContact ND1-N 3.32Å; H312-D314 PolarHBondContact O-N 2.96Å; H312-D314 VanDerWaalsContact O-N 3.13Å; H312-E315 WeakPolarHBondContact O-CB 3.45Å; H312-E315 PolarHBondContact O-N 2.75Å; H312-E315 VanDerWaalsContact O-N 3.09Å; H312-L318 HydrophobicContact CB-CD1 4.16Å; H312-L318 VanDerWaalsContact ND1-CD1 3.28Å; H312-L318 WeakPolarHBondContact ND1-CD1 3.29Å
313	E	86.6	Confident	89.9	Confident	195 Å²	195	78.9 Å²	78.9	91%	0.911	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.5	-177.7	-64.9	-173.8	162.4	0	0	112.8
314	D	85.9	Confident	89.7	Confident	100 Å²	100	74.5 Å²	74.5	54%	0.535	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	23.3	178.9	-60.9	-48.7	0	0	0	114.6	H312 A316 Q317 L318	H312-D314 IonicContact CE1-OD2 3.42Å; H312-D314 PolarHBondContact ND1-N 3.32Å; H312-D314 PolarHBondContact O-N 2.96Å; H312-D314 VanDerWaalsContact O-N 3.13Å; D314-A316 VanDerWaalsContact C-N 3.27Å; D314-A316 PolarHBondContact O-N 3.27Å; D314-A316 VanDerWaalsContact O-N 3.1Å; D314-Q317 PolarHBondContact O-N 2.79Å; D314-L318 HydrophobicContact CB-CD1 4.5Å; D314-L318 HydrophobicContact CB-CG 4.44Å; D314-L318 PolarHBondContact O-N 3.4Å
315	E	85.9	Confident	89.8	Confident	91 Å²	91	71.4 Å²	71.4	43%	0.425	37%	0.372	S	S	.	.	H	α-helix	trans	-44.4	-47.7	-175.7	-177.2	-162.8	168.8	0	0	113.4	H312 Q317 L318 T319	H312-E315 WeakPolarHBondContact O-CB 3.45Å; H312-E315 PolarHBondContact O-N 2.75Å; H312-E315 VanDerWaalsContact O-N 3.09Å; E315-Q317 VanDerWaalsContact C-N 3.35Å; E315-Q317 PolarHBondContact O-N 3.38Å; E315-L318 PolarHBondContact O-N 3.04Å; E315-T319 VanDerWaalsContact O-CB 3.31Å; E315-T319 WeakPolarHBondContact O-CB 3.46Å; E315-T319 PolarHBondContact O-N 3.47Å; E315-T319 PolarHBondContact O-OG1 2.87Å
316	A	85.1	Confident	89.8	Confident	75 Å²	75	71 Å²	71	62%	0.62	37%	0.37	S	S	*	.	H	α-helix	trans	-64.3	-37.5	-177.4	0	0	0	0	0	113.1	D314 K320	D314-A316 VanDerWaalsContact C-N 3.27Å; D314-A316 PolarHBondContact O-N 3.27Å; D314-A316 VanDerWaalsContact O-N 3.1Å; A316-K320 WeakPolarHBondContact O-CG 3.32Å; A316-K320 PolarHBondContact O-N 2.83Å
317	Q	84.7	Confident	89.8	Confident	83 Å²	83	72.2 Å²	72.2	39%	0.388	37%	0.368	S	S	.	.	H	α-helix	trans	-73.9	-47.1	178	175.5	58.8	26.9	0	0	110.1	D314 E315 T319 K320 E321	D314-Q317 PolarHBondContact O-N 2.79Å; E315-Q317 VanDerWaalsContact C-N 3.35Å; E315-Q317 PolarHBondContact O-N 3.38Å; Q317-T319 VanDerWaalsContact C-N 3.25Å; Q317-T319 PolarHBondContact O-N 2.83Å; Q317-K320 WeakPolarHBondContact O-CB 3.49Å; Q317-K320 PolarHBondContact O-N 2.98Å; Q317-E321 WeakPolarHBondContact CG-OE1 3.4Å; Q317-E321 PolarHBondContact NE2-OE1 2.63Å; Q317-E321 PolarHBondContact O-N 2.65Å
318	L	88	Confident	89.9	Confident	18 Å²	18	65.9 Å²	65.9	9%	0.094	34%	0.34	C	S	.	.	H	α-helix	trans	-58.1	-39	176.1	-70.8	172.3	0	0	0	111.6	L266 F309 H312 D314 E315 K320 E321 V322	L266-L318 HydrophobicContact CD2-CD2 4.19Å; F309-L318 HydrophobicContact CB-CD1 4.3Å; F309-L318 HydrophobicContact CD1-CD1 3.72Å; F309-L318 HydrophobicContact CD2-CB 3.93Å; F309-L318 HydrophobicContact CD2-CD1 4.19Å; F309-L318 HydrophobicContact CE1-CD1 3.99Å; F309-L318 HydrophobicContact CE2-CB 4.19Å; F309-L318 HydrophobicContact CE2-CD1 4.43Å; F309-L318 HydrophobicContact CG-CB 4.31Å; F309-L318 HydrophobicContact CG-CD1 3.84Å; F309-L318 HydrophobicContact CZ-CD1 4.33Å; F309-L318 HydrophobicContact CZ-CD2 4.49Å; H312-L318 HydrophobicContact CB-CD1 4.16Å; H312-L318 VanDerWaalsContact ND1-CD1 3.28Å; H312-L318 WeakPolarHBondContact ND1-CD1 3.29Å; D314-L318 HydrophobicContact CB-CD1 4.5Å; D314-L318 HydrophobicContact CB-CG 4.44Å; D314-L318 PolarHBondContact O-N 3.4Å; E315-L318 PolarHBondContact O-N 3.04Å; L318-K320 VanDerWaalsContact C-N 3.34Å; L318-K320 PolarHBondContact O-N 3.48Å; L318-E321 PolarHBondContact O-N 3.22Å; L318-V322 VanDerWaalsContact O-CG2 3.31Å; L318-V322 WeakPolarHBondContact O-CG2 3.35Å; L318-V322 PolarHBondContact O-N 3.44Å
319	T	89	Confident	90.2	Very high	64 Å²	64	61 Å²	61	39%	0.393	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-40.7	176.5	-60.8	0	0	0	0	112.1	E315 Q317 K323	E315-T319 VanDerWaalsContact O-CB 3.31Å; E315-T319 WeakPolarHBondContact O-CB 3.46Å; E315-T319 PolarHBondContact O-N 3.47Å; E315-T319 PolarHBondContact O-OG1 2.87Å; Q317-T319 VanDerWaalsContact C-N 3.25Å; Q317-T319 PolarHBondContact O-N 2.83Å; T319-K323 PolarHBondContact O-N 3.04Å; T319-K323 VanDerWaalsContact O-N 3.09Å
320	K	87.4	Confident	90.4	Very high	90 Å²	90	61 Å²	61	39%	0.391	32%	0.319	S	S	.	.	H	α-helix	trans	-67	-39.9	175.1	-69.4	-177.9	-178.2	-166.3	0	111.6	D77 A316 Q317 L318 K323 Q324	D77-K320 IonicContact OD1-NZ 2.72Å; D77-K320 PolarHBondContact OD1-NZ 3.4Å; D77-K320 IonicContact OD2-NZ 2.88Å; D77-K320 PolarHBondContact OD2-NZ 3.47Å; A316-K320 WeakPolarHBondContact O-CG 3.32Å; A316-K320 PolarHBondContact O-N 2.83Å; Q317-K320 WeakPolarHBondContact O-CB 3.49Å; Q317-K320 PolarHBondContact O-N 2.98Å; L318-K320 VanDerWaalsContact C-N 3.34Å; L318-K320 PolarHBondContact O-N 3.48Å; K320-K323 PolarHBondContact O-N 3.2Å; K320-Q324 PolarHBondContact O-N 3.1Å
321	E	90.1	Very high	90.8	Very high	23 Å²	23	62.1 Å²	62.1	11%	0.107	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-45.1	175.6	-69.4	-177.2	-148.2	0	0	111.8	V262 D263 Q317 L318 K323 Q324 I325	V262-E321 HydrophobicContact CG1-CB 4.32Å; V262-E321 HydrophobicContact CG1-CG 4.35Å; D263-E321 WeakPolarHBondContact CB-OE2 3.47Å; D263-E321 PolarHBondContact N-OE2 3.23Å; Q317-E321 WeakPolarHBondContact CG-OE1 3.4Å; Q317-E321 PolarHBondContact NE2-OE1 2.63Å; Q317-E321 PolarHBondContact O-N 2.65Å; L318-E321 PolarHBondContact O-N 3.22Å; E321-K323 VanDerWaalsContact C-N 3.3Å; E321-K323 PolarHBondContact O-N 3.33Å; E321-Q324 PolarHBondContact O-N 2.6Å; E321-Q324 VanDerWaalsContact O-N 3.16Å; E321-I325 WeakPolarHBondContact O-CB 3.37Å; E321-I325 WeakPolarHBondContact O-CD1 3.33Å; E321-I325 WeakPolarHBondContact O-CG1 3.35Å; E321-I325 PolarHBondContact O-N 3.01Å
322	V	94.2	Very high	91.2	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.024	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-42.6	175.6	172.2	0	0	0	0	111.2	L266 I270 V301 Y305 F309 L318 I325 A326	L266-V322 HydrophobicContact CD2-CG2 4.02Å; I270-V322 HydrophobicContact CD1-CG1 4.26Å; I270-V322 HydrophobicContact CD1-CG2 4.17Å; V301-V322 HydrophobicContact CG1-CG1 3.85Å; Y305-V322 HydrophobicContact CD1-CG2 4.44Å; Y305-V322 HydrophobicContact CG-CG1 4.49Å; Y305-V322 HydrophobicContact CG-CG2 4.22Å; F309-V322 HydrophobicContact CD2-CG2 4.49Å; F309-V322 HydrophobicContact CE2-CG2 3.98Å; L318-V322 VanDerWaalsContact O-CG2 3.31Å; L318-V322 WeakPolarHBondContact O-CG2 3.35Å; L318-V322 PolarHBondContact O-N 3.44Å; V322-I325 PolarHBondContact O-N 2.96Å; V322-A326 WeakPolarHBondContact O-CB 3.29Å; V322-A326 PolarHBondContact O-N 3.46Å
323	K	92.4	Very high	91.5	Very high	65 Å²	65	52.4 Å²	52.4	28%	0.283	27%	0.265	S	S	.	.	H	α-helix	trans	-58.8	-50.2	174.7	-178.2	-171.6	170.4	-167.8	0	111.1	D79 T319 K320 E321 I325 A326 E327	D79-K323 IonicContact OD1-NZ 2.88Å; D79-K323 PolarHBondContact OD1-NZ 2.8Å; D79-K323 IonicContact OD2-NZ 2.77Å; D79-K323 PolarHBondContact OD2-NZ 2.86Å; T319-K323 PolarHBondContact O-N 3.04Å; T319-K323 VanDerWaalsContact O-N 3.09Å; K320-K323 PolarHBondContact O-N 3.2Å; E321-K323 VanDerWaalsContact C-N 3.3Å; E321-K323 PolarHBondContact O-N 3.33Å; K323-I325 PolarHBondContact O-N 2.78Å; K323-A326 PolarHBondContact O-N 2.72Å; K323-E327 WeakPolarHBondContact CE-OE1 3.33Å; K323-E327 PolarHBondContact O-N 3.37Å; K323-E327 VanDerWaalsContact O-N 3.14Å
324	Q	91.6	Very high	92	Very high	41 Å²	41	43.2 Å²	43.2	19%	0.192	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-41	179	-175.9	62.4	66.5	0	0	111.9	V262 K320 E321 A326 E327 D328	V262-Q324 HydrophobicContact CG1-CB 3.87Å; V262-Q324 HydrophobicContact CG1-CG 3.76Å; K320-Q324 PolarHBondContact O-N 3.1Å; E321-Q324 PolarHBondContact O-N 2.6Å; E321-Q324 VanDerWaalsContact O-N 3.16Å; Q324-A326 VanDerWaalsContact C-N 3.31Å; Q324-A326 PolarHBondContact O-N 3.19Å; Q324-E327 PolarHBondContact O-N 3.14Å; Q324-D328 PolarHBondContact NE2-OD1 2.91Å; Q324-D328 WeakPolarHBondContact O-CB 3.28Å; Q324-D328 PolarHBondContact O-N 2.81Å
325	I	95.8	Very high	92.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-38.1	177.6	-68.2	163.3	0	0	0	110.9	V262 L266 K267 I270 F271 E321 V322 K323 E327 D328 L329	V262-I325 HydrophobicContact CB-CD1 4.09Å; V262-I325 HydrophobicContact CB-CG1 3.82Å; V262-I325 HydrophobicContact CG1-CG1 3.99Å; V262-I325 HydrophobicContact CG2-CG1 4.02Å; L266-I325 HydrophobicContact CB-CD1 4.14Å; L266-I325 HydrophobicContact CD2-CD1 3.95Å; L266-I325 HydrophobicContact CG-CD1 3.73Å; K267-I325 HydrophobicContact CB-CD1 4.16Å; K267-I325 HydrophobicContact CB-CG1 4.14Å; K267-I325 HydrophobicContact CB-CG2 4.36Å; K267-I325 HydrophobicContact CG-CG1 4.47Å; K267-I325 HydrophobicContact CG-CG2 4.23Å; I270-I325 HydrophobicContact CB-CG2 3.73Å; I270-I325 HydrophobicContact CD1-CB 4.08Å; I270-I325 HydrophobicContact CD1-CD1 4.06Å; I270-I325 HydrophobicContact CD1-CG2 3.65Å; I270-I325 HydrophobicContact CG1-CG2 4.24Å; I270-I325 HydrophobicContact CG2-CG2 3.74Å; F271-I325 HydrophobicContact CD2-CG2 4.14Å; F271-I325 HydrophobicContact CE2-CG2 4Å; E321-I325 WeakPolarHBondContact O-CB 3.37Å; E321-I325 WeakPolarHBondContact O-CD1 3.33Å; E321-I325 WeakPolarHBondContact O-CG1 3.35Å; E321-I325 PolarHBondContact O-N 3.01Å; V322-I325 PolarHBondContact O-N 2.96Å; K323-I325 PolarHBondContact O-N 2.78Å; I325-E327 VanDerWaalsContact C-N 3.34Å; I325-D328 PolarHBondContact O-N 3.03Å; I325-L329 WeakPolarHBondContact O-CB 3.33Å; I325-L329 PolarHBondContact O-N 2.87Å
326	A	96	Very high	92.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-67.4	-34.4	176.7	0	0	0	0	0	112.4	K298 V301 V322 K323 Q324 E330	K298-A326 HydrophobicContact CB-CB 4.34Å; K298-A326 HydrophobicContact CG-CB 4.15Å; V301-A326 HydrophobicContact CG1-CB 4.33Å; V322-A326 WeakPolarHBondContact O-CB 3.29Å; V322-A326 PolarHBondContact O-N 3.46Å; K323-A326 PolarHBondContact O-N 2.72Å; Q324-A326 VanDerWaalsContact C-N 3.31Å; Q324-A326 PolarHBondContact O-N 3.19Å; A326-E330 PolarHBondContact O-N 2.78Å
327	E	94.2	Very high	93.2	Very high	69 Å²	69	35.7 Å²	35.7	32%	0.322	17%	0.17	S	C	.	.	H	α-helix	trans	-69.4	-44	171.3	-68.5	175.6	-169.7	0	0	111.7	K323 Q324 I325 L329 E330 K331	K323-E327 WeakPolarHBondContact CE-OE1 3.33Å; K323-E327 PolarHBondContact O-N 3.37Å; K323-E327 VanDerWaalsContact O-N 3.14Å; Q324-E327 PolarHBondContact O-N 3.14Å; I325-E327 VanDerWaalsContact C-N 3.34Å; E327-L329 VanDerWaalsContact C-N 3.28Å; E327-L329 PolarHBondContact O-N 3.31Å; E327-E330 PolarHBondContact O-N 3.33Å; E327-K331 PolarHBondContact O-N 2.79Å
328	D	94.4	Very high	93.7	Very high	30 Å²	30	31.8 Å²	31.8	16%	0.16	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-38.3	174.5	-78	11.9	0	0	0	111.8	K267 F271 Q324 I325 E330 K331 D332	K267-D328 IonicContact NZ-OD2 2.65Å; K267-D328 PolarHBondContact NZ-OD2 2.81Å; F271-D328 HydrophobicContact CE2-CB 4.41Å; F271-D328 HydrophobicContact CZ-CB 4.22Å; Q324-D328 PolarHBondContact NE2-OD1 2.91Å; Q324-D328 WeakPolarHBondContact O-CB 3.28Å; Q324-D328 PolarHBondContact O-N 2.81Å; I325-D328 PolarHBondContact O-N 3.03Å; D328-E330 PolarHBondContact O-N 2.97Å; D328-K331 WeakPolarHBondContact O-CB 3.4Å; D328-K331 PolarHBondContact O-N 3.28Å; D328-D332 WeakPolarHBondContact O-CB 3.44Å; D328-D332 VanDerWaalsContact O-CG 3.3Å; D328-D332 PolarHBondContact O-N 3.09Å
329	L	97.6	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-44.7	178	179.1	62.1	0	0	0	111.5	I270 F271 Y275 M278 I325 E327 V333	I270-L329 HydrophobicContact CG2-CD2 4.46Å; F271-L329 HydrophobicContact CB-CD1 4.43Å; F271-L329 HydrophobicContact CD1-CD1 3.88Å; F271-L329 HydrophobicContact CD2-CB 4.25Å; F271-L329 HydrophobicContact CD2-CD1 3.9Å; F271-L329 HydrophobicContact CE1-CD1 4.04Å; F271-L329 HydrophobicContact CE2-CB 3.77Å; F271-L329 HydrophobicContact CE2-CD1 4.05Å; F271-L329 HydrophobicContact CG-CD1 3.81Å; F271-L329 VanDerWaalsContact CZ-CA 3.49Å; F271-L329 HydrophobicContact CZ-CB 4.07Å; F271-L329 HydrophobicContact CZ-CD1 4.13Å; Y275-L329 HydrophobicContact CD2-CD1 4.44Å; M278-L329 HydrophobicContact CB-CD2 4.07Å; M278-L329 HydrophobicContact CB-CG 4.1Å; M278-L329 HydrophobicContact CE-CD2 4.2Å; M278-L329 HydrophobicContact CE-CG 4.35Å; M278-L329 HydrophobicContact CG-CD2 4.45Å; M278-L329 HydrophobicContact CG-CG 4.1Å; I325-L329 WeakPolarHBondContact O-CB 3.33Å; I325-L329 PolarHBondContact O-N 2.87Å; E327-L329 VanDerWaalsContact C-N 3.28Å; E327-L329 PolarHBondContact O-N 3.31Å; L329-V333 HydrophobicContact CD1-CG2 4Å; L329-V333 HydrophobicContact CG-CG2 4.48Å; L329-V333 VanDerWaalsContact O-CB 3.28Å; L329-V333 WeakPolarHBondContact O-CB 3.36Å; L329-V333 WeakPolarHBondContact O-CG2 3.45Å; L329-V333 PolarHBondContact O-N 2.81Å
330	E	97.1	Very high	94.1	Very high	22 Å²	22	32.4 Å²	32.4	10%	0.103	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-49.5	173.6	-179.6	-167.2	179.1	0	0	110.6	M278 I294 K298 A326 E327 D328 D332 V333 V334 L513 L517	M278-E330 HydrophobicContact CE-CB 4.28Å; M278-E330 HydrophobicContact SD-CB 4.23Å; I294-E330 HydrophobicContact CD1-CG 4.33Å; I294-E330 HydrophobicContact CG2-CG 4.11Å; K298-E330 WeakPolarHBondContact CE-OE2 3.28Å; K298-E330 IonicContact NZ-OE2 3.76Å; K298-E330 PolarHBondContact NZ-OE2 3.35Å; A326-E330 PolarHBondContact O-N 2.78Å; E327-E330 PolarHBondContact O-N 3.33Å; D328-E330 PolarHBondContact O-N 2.97Å; E330-D332 PolarHBondContact O-N 2.82Å; E330-V333 PolarHBondContact O-N 2.97Å; E330-V334 HydrophobicContact CG-CG2 4.45Å; E330-V334 WeakPolarHBondContact O-CB 3.1Å; E330-V334 VanDerWaalsContact O-CG2 3.28Å; E330-V334 WeakPolarHBondContact O-CG2 3.49Å; E330-V334 PolarHBondContact O-N 2.71Å; E330-L513 VanDerWaalsContact OE1-CD1 3.3Å; E330-L513 WeakPolarHBondContact OE1-CD1 3.41Å; E330-L517 HydrophobicContact CG-CD1 4.13Å
331	K	95.5	Very high	94.3	Very high	74 Å²	74	31.4 Å²	31.4	32%	0.322	15%	0.151	S	C	.	.	H	α-helix	trans	-55.1	-53	179.9	-178	-179.7	176.3	-172.6	0	111.3	E327 D328 V334 R335 L517	E327-K331 PolarHBondContact O-N 2.79Å; D328-K331 WeakPolarHBondContact O-CB 3.4Å; D328-K331 PolarHBondContact O-N 3.28Å; K331-V334 PolarHBondContact O-N 2.84Å; K331-R335 WeakPolarHBondContact O-CB 3.32Å; K331-R335 WeakPolarHBondContact O-CD 3.23Å; K331-R335 WeakPolarHBondContact O-CG 3.4Å; K331-R335 PolarHBondContact O-N 2.84Å; K331-L517 HydrophobicContact CB-CD2 4Å; K331-L517 HydrophobicContact CG-CD2 4.14Å
332	D	95.1	Very high	94.4	Very high	55 Å²	55	34.6 Å²	34.6	29%	0.294	16%	0.164	S	C	.	.	H	α-helix	trans	-69	-40.7	-173.9	-68.5	-9.2	0	0	0	111.1	K267 F271 D328 E330 R335 E336	K267-D332 IonicContact NZ-OD2 2.74Å; F271-D332 HydrophobicContact CE1-CB 3.87Å; F271-D332 WeakPolarHBondContact CE1-OD2 3.41Å; F271-D332 HydrophobicContact CZ-CB 4.23Å; F271-D332 WeakPolarHBondContact CZ-OD2 3.26Å; D328-D332 WeakPolarHBondContact O-CB 3.44Å; D328-D332 VanDerWaalsContact O-CG 3.3Å; D328-D332 PolarHBondContact O-N 3.09Å; E330-D332 PolarHBondContact O-N 2.82Å; D332-R335 PolarHBondContact O-N 3.19Å; D332-E336 VanDerWaalsContact O-CB 3.31Å; D332-E336 WeakPolarHBondContact O-CB 3.3Å; D332-E336 PolarHBondContact O-N 2.7Å
333	V	96.2	Very high	94.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-47.1	175.4	167.9	0	0	0	0	111.7	Y275 M278 K279 V282 L329 E330 R335 L337	Y275-V333 HydrophobicContact CD2-CG2 3.6Å; Y275-V333 HydrophobicContact CE2-CG2 3.62Å; Y275-V333 HydrophobicContact CG-CG2 4.31Å; M278-V333 HydrophobicContact CB-CG2 4.27Å; M278-V333 HydrophobicContact CG-CB 4.26Å; M278-V333 HydrophobicContact CG-CG1 4.37Å; M278-V333 HydrophobicContact CG-CG2 4.07Å; K279-V333 HydrophobicContact CB-CG1 3.91Å; K279-V333 HydrophobicContact CG-CG1 4.43Å; V282-V333 HydrophobicContact CB-CG1 4.48Å; V282-V333 HydrophobicContact CG2-CG1 4.22Å; L329-V333 HydrophobicContact CD1-CG2 4Å; L329-V333 HydrophobicContact CG-CG2 4.48Å; L329-V333 VanDerWaalsContact O-CB 3.28Å; L329-V333 WeakPolarHBondContact O-CB 3.36Å; L329-V333 WeakPolarHBondContact O-CG2 3.45Å; L329-V333 PolarHBondContact O-N 2.81Å; E330-V333 PolarHBondContact O-N 2.97Å; V333-R335 VanDerWaalsContact C-N 3.33Å; V333-R335 PolarHBondContact O-N 2.85Å; V333-L337 HydrophobicContact CG1-CD1 4.09Å; V333-L337 WeakPolarHBondContact O-CB 3.39Å; V333-L337 VanDerWaalsContact O-CG 3.31Å; V333-L337 WeakPolarHBondContact O-CG 3.5Å; V333-L337 PolarHBondContact O-N 2.9Å
334	V	95.9	Very high	94.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-43.9	178.2	170.4	0	0	0	0	110.5	V282 E330 K331 I338 P345 L513 L517	V282-V334 HydrophobicContact CB-CG2 4.4Å; V282-V334 HydrophobicContact CG1-CG2 3.54Å; V282-V334 HydrophobicContact CG2-CG2 3.89Å; E330-V334 HydrophobicContact CG-CG2 4.45Å; E330-V334 WeakPolarHBondContact O-CB 3.1Å; E330-V334 VanDerWaalsContact O-CG2 3.28Å; E330-V334 WeakPolarHBondContact O-CG2 3.49Å; E330-V334 PolarHBondContact O-N 2.71Å; K331-V334 PolarHBondContact O-N 2.84Å; V334-I338 HydrophobicContact CG1-CD1 3.79Å; V334-I338 WeakPolarHBondContact O-CG1 3.29Å; V334-I338 PolarHBondContact O-N 3.26Å; V334-P345 HydrophobicContact CG1-CG 4.39Å; V334-L513 HydrophobicContact CG2-CD2 4.07Å; V334-L513 HydrophobicContact CG2-CG 4.4Å; V334-L517 HydrophobicContact CB-CD1 3.86Å; V334-L517 HydrophobicContact CG1-CB 4.45Å; V334-L517 HydrophobicContact CG1-CD1 4.02Å; V334-L517 HydrophobicContact CG2-CD1 3.74Å
335	R	95.6	Very high	94.5	Very high	38 Å²	38	32.7 Å²	32.7	14%	0.143	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-46.9	-179	-69.6	171.9	75.7	85.8	-1.5	111.3	K331 D332 V333 L337 I338 T339 V498 S499 L517 D519	K331-R335 WeakPolarHBondContact O-CB 3.32Å; K331-R335 WeakPolarHBondContact O-CD 3.23Å; K331-R335 WeakPolarHBondContact O-CG 3.4Å; K331-R335 PolarHBondContact O-N 2.84Å; D332-R335 PolarHBondContact O-N 3.19Å; V333-R335 VanDerWaalsContact C-N 3.33Å; V333-R335 PolarHBondContact O-N 2.85Å; R335-L337 PolarHBondContact O-N 3.21Å; R335-I338 PolarHBondContact O-N 3.49Å; R335-I338 VanDerWaalsContact O-N 3.14Å; R335-T339 WeakPolarHBondContact O-CB 3.41Å; R335-T339 WeakPolarHBondContact O-CG2 3.43Å; R335-T339 PolarHBondContact O-N 2.97Å; R335-T339 PolarHBondContact O-OG1 3.46Å; R335-V498 HydrophobicContact CB-CG1 3.96Å; R335-V498 HydrophobicContact CG-CG1 3.77Å; R335-S499 PolarHBondContact NH2-O 2.89Å; R335-L517 PolarHBondContact NH1-O 3.24Å; R335-D519 IonicContact CZ-OD1 3.65Å; R335-D519 IonicContact CZ-OD2 2.82Å; R335-D519 IonicContact NH1-OD1 3.97Å; R335-D519 PolarHBondContact NH1-OD1 3.06Å; R335-D519 IonicContact NH1-OD2 2.87Å; R335-D519 PolarHBondContact NH1-OD2 3.27Å; R335-D519 IonicContact NH2-OD1 2.74Å; R335-D519 PolarHBondContact NH2-OD1 3.47Å; R335-D519 IonicContact NH2-OD2 3.88Å; R335-D519 PolarHBondContact NH2-OD2 2.84Å
336	E	93.6	Very high	94.3	Very high	68 Å²	68	33.8 Å²	33.8	32%	0.318	16%	0.164	S	C	.	.	H	α-helix	trans	-61.6	-43.6	178.9	-165.4	-172.8	161.3	0	0	112.2	Y275 D332 I338 T339 I340 D341	Y275-E336 WeakPolarHBondContact CE2-OE2 3.26Å; Y275-E336 VanDerWaalsContact CZ-OE2 3.27Å; Y275-E336 PolarHBondContact OH-OE1 2.93Å; Y275-E336 PolarHBondContact OH-OE2 2.66Å; D332-E336 VanDerWaalsContact O-CB 3.31Å; D332-E336 WeakPolarHBondContact O-CB 3.3Å; D332-E336 PolarHBondContact O-N 2.7Å; E336-I338 VanDerWaalsContact C-N 3.25Å; E336-I338 PolarHBondContact O-N 2.93Å; E336-T339 PolarHBondContact O-N 3.45Å; E336-I340 HydrophobicContact CG-CB 4.28Å; E336-I340 HydrophobicContact CG-CD1 3.61Å; E336-I340 HydrophobicContact CG-CG1 4Å; E336-I340 WeakPolarHBondContact O-CA 3.33Å; E336-I340 WeakPolarHBondContact O-CB 3.33Å; E336-I340 PolarHBondContact O-N 2.92Å; E336-D341 PolarHBondContact O-N 3.07Å
337	L	93.6	Very high	94.1	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-54.3	-43.8	173.6	-82.5	170.1	0	0	0	111.5	K279 V282 M283 V333 R335 D341 K342 I343	K279-L337 HydrophobicContact CD-CD2 4.36Å; K279-L337 HydrophobicContact CG-CD1 4.41Å; K279-L337 HydrophobicContact CG-CD2 4.36Å; V282-L337 HydrophobicContact CG1-CD1 3.8Å; M283-L337 HydrophobicContact CG-CD1 4.26Å; M283-L337 HydrophobicContact SD-CD1 4.03Å; M283-L337 HydrophobicContact SD-CD2 4.21Å; V333-L337 HydrophobicContact CG1-CD1 4.09Å; V333-L337 WeakPolarHBondContact O-CB 3.39Å; V333-L337 VanDerWaalsContact O-CG 3.31Å; V333-L337 WeakPolarHBondContact O-CG 3.5Å; V333-L337 PolarHBondContact O-N 2.9Å; R335-L337 PolarHBondContact O-N 3.21Å; L337-D341 HydrophobicContact CD2-CB 4.48Å; L337-D341 CarbonylContact O-C 3.6Å; L337-D341 WeakPolarHBondContact O-CB 3.26Å; L337-D341 PolarHBondContact O-N 2.76Å; L337-K342 PolarHBondContact O-N 3.42Å; L337-I343 CarbonylContact C-O 3.58Å; L337-I343 PolarHBondContact O-N 2.99Å
338	I	95.3	Very high	94.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-79.7	-40.4	-176.1	-67.6	167.9	0	0	0	112.2	V334 R335 E336 K342 V498 T505 L507 E514	V334-I338 HydrophobicContact CG1-CD1 3.79Å; V334-I338 WeakPolarHBondContact O-CG1 3.29Å; V334-I338 PolarHBondContact O-N 3.26Å; R335-I338 PolarHBondContact O-N 3.49Å; R335-I338 VanDerWaalsContact O-N 3.14Å; E336-I338 VanDerWaalsContact C-N 3.25Å; E336-I338 PolarHBondContact O-N 2.93Å; I338-K342 WeakPolarHBondContact O-CD 3.39Å; I338-V498 HydrophobicContact CB-CG2 4.37Å; I338-V498 HydrophobicContact CD1-CG2 4.1Å; I338-V498 HydrophobicContact CG2-CB 3.87Å; I338-V498 HydrophobicContact CG2-CG2 3.74Å; I338-T505 HydrophobicContact CG2-CG2 3.79Å; I338-T505 PolarHBondContact O-OG1 2.89Å; I338-L507 HydrophobicContact CD1-CD1 4.3Å; I338-L507 HydrophobicContact CG2-CD1 4.16Å; I338-L507 HydrophobicContact CG2-CD2 4.07Å; I338-L507 HydrophobicContact CG2-CG 4.41Å; I338-E514 HydrophobicContact CD1-CG 4.23Å
339	T	93.8	Very high	94.2	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-85	-39.5	-173.7	57.5	0	0	0	0	112.6	R335 E336 K342 V498 D500	R335-T339 WeakPolarHBondContact O-CB 3.41Å; R335-T339 WeakPolarHBondContact O-CG2 3.43Å; R335-T339 PolarHBondContact O-N 2.97Å; R335-T339 PolarHBondContact O-OG1 3.46Å; E336-T339 PolarHBondContact O-N 3.45Å; T339-K342 WeakPolarHBondContact O-CD 3.42Å; T339-K342 VanDerWaalsContact O-CE 3.3Å; T339-K342 WeakPolarHBondContact O-CE 3.41Å; T339-K342 PolarHBondContact O-NZ 2.75Å; T339-V498 HydrophobicContact CG2-CB 3.95Å; T339-V498 HydrophobicContact CG2-CG1 3.57Å; T339-D500 HydrophobicContact CG2-CB 4.26Å
340	I	91.2	Very high	94.1	Very high	92 Å²	92	41.3 Å²	41.3	47%	0.472	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-60.2	-176.3	-52.8	-169.2	0	0	0	110.6	E336 K342	E336-I340 HydrophobicContact CG-CB 4.28Å; E336-I340 HydrophobicContact CG-CD1 3.61Å; E336-I340 HydrophobicContact CG-CG1 4Å; E336-I340 WeakPolarHBondContact O-CA 3.33Å; E336-I340 WeakPolarHBondContact O-CB 3.33Å; E336-I340 PolarHBondContact O-N 2.92Å; I340-K342 PolarHBondContact O-N 2.81Å
341	D	90.6	Very high	94	Very high	68 Å²	68	44.7 Å²	44.7	36%	0.364	23%	0.227	S	C	.	.	S	Bend	trans	-73.4	-17	-175.2	-67.4	-22.2	0	0	0	112	K279 E336 L337 I343	K279-D341 IonicContact NZ-OD2 3.72Å; K279-D341 PolarHBondContact NZ-OD2 3.23Å; E336-D341 PolarHBondContact O-N 3.07Å; L337-D341 HydrophobicContact CD2-CB 4.48Å; L337-D341 CarbonylContact O-C 3.6Å; L337-D341 WeakPolarHBondContact O-CB 3.26Å; L337-D341 PolarHBondContact O-N 2.76Å; D341-I343 HydrophobicContact CB-CB 4.39Å; D341-I343 HydrophobicContact CB-CD1 4.03Å; D341-I343 HydrophobicContact CB-CG1 4.16Å; D341-I343 PolarHBondContact O-N 3.33Å
342	K	93	Very high	94.1	Very high	90 Å²	90	45.2 Å²	45.2	39%	0.391	23%	0.231	S	C	.	.			trans	55.5	35.2	-173.6	-56.8	-51.8	-163.6	-167.3	0	112.6	L337 I338 T339 I340 L350 Y504 T505	L337-K342 PolarHBondContact O-N 3.42Å; I338-K342 WeakPolarHBondContact O-CD 3.39Å; T339-K342 WeakPolarHBondContact O-CD 3.42Å; T339-K342 VanDerWaalsContact O-CE 3.3Å; T339-K342 WeakPolarHBondContact O-CE 3.41Å; T339-K342 PolarHBondContact O-NZ 2.75Å; I340-K342 PolarHBondContact O-N 2.81Å; K342-L350 HydrophobicContact CB-CD1 4.23Å; K342-L350 HydrophobicContact CD-CD1 4.21Å; K342-Y504 PolarHBondContact NZ-O 2.91Å; K342-T505 PolarHBondContact NZ-OG1 3.48Å
343	I	92.6	Very high	94.3	Very high	69 Å²	69	43.4 Å²	43.4	35%	0.354	22%	0.221	S	C	.	.			trans	-112.7	132.3	-179.9	-65.3	172	0	0	0	109.2	M283 L337 D341	M283-I343 HydrophobicContact CE-CG2 3.62Å; M283-I343 HydrophobicContact SD-CG2 3.81Å; L337-I343 CarbonylContact C-O 3.58Å; L337-I343 PolarHBondContact O-N 2.99Å; D341-I343 HydrophobicContact CB-CB 4.39Å; D341-I343 HydrophobicContact CB-CD1 4.03Å; D341-I343 HydrophobicContact CB-CG1 4.16Å; D341-I343 PolarHBondContact O-N 3.33Å
344	R	95.5	Very high	94.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.			trans	-88.8	149.5	173.2	-61.1	179.1	74.7	164.8	7.4	110.7	D346 G347 R348 K349 L350 E352 L507 T508 D509 E514	R344-D346 WeakPolarHBondContact CB-OD1 3.46Å; R344-D346 PolarHBondContact O-N 3.11Å; R344-G347 PolarHBondContact O-N 2.69Å; R344-R348 WeakPolarHBondContact CD-O 3.46Å; R344-R348 WeakPolarHBondContact CG-O 3.3Å; R344-K349 WeakPolarHBondContact CD-O 3.28Å; R344-K349 PolarHBondContact NH1-O 3.26Å; R344-L350 HydrophobicContact CG-CD2 4.18Å; R344-L350 PolarHBondContact NH1-O 3.47Å; R344-E352 PolarHBondContact NH1-O 2.84Å; R344-L507 HydrophobicContact CG-CD2 4.21Å; R344-T508 PolarHBondContact NH1-O 2.85Å; R344-T508 PolarHBondContact NH2-O 2.97Å; R344-T508 VanDerWaalsContact NH2-O 3.16Å; R344-D509 PolarHBondContact NH2-O 3.29Å; R344-E514 IonicContact CZ-OE1 3.03Å; R344-E514 IonicContact CZ-OE2 2.84Å; R344-E514 IonicContact NE-OE1 3.6Å; R344-E514 PolarHBondContact NE-OE1 3.28Å; R344-E514 IonicContact NE-OE2 3.39Å; R344-E514 IonicContact NH2-OE1 2.77Å; R344-E514 PolarHBondContact NH2-OE1 2.75Å; R344-E514 IonicContact NH2-OE2 2.61Å; R344-E514 PolarHBondContact NH2-OE2 2.76Å
345	P	92.1	Very high	94.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.6	179	-30.1	37.3	0	0	0	115.6	V282 M283 V334 L513	V282-P345 HydrophobicContact CG1-CB 4.16Å; V282-P345 HydrophobicContact CG1-CG 4.15Å; V282-P345 WeakPolarHBondContact O-CB 3.31Å; M283-P345 CarbonylContact C-O 3.55Å; V334-P345 HydrophobicContact CG1-CG 4.39Å; P345-L513 HydrophobicContact CB-CD2 4.06Å; P345-L513 HydrophobicContact CG-CD2 3.93Å
346	D	92.1	Very high	94.6	Very high	24 Å²	24	49.3 Å²	49.3	13%	0.128	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	3.2	176.6	68.6	-15.5	0	0	0	114.1	R344 R348 Q511	R344-D346 WeakPolarHBondContact CB-OD1 3.46Å; R344-D346 PolarHBondContact O-N 3.11Å; D346-R348 VanDerWaalsContact C-N 3.32Å; D346-R348 PolarHBondContact O-N 3.28Å; D346-R348 WeakPolarHBondContact OD1-CB 3.31Å; D346-R348 PolarHBondContact OD1-N 2.93Å; D346-R348 IonicContact OD1-NE 3.29Å; D346-R348 IonicContact OD2-CZ 2.66Å; D346-R348 IonicContact OD2-NE 3.97Å; D346-R348 PolarHBondContact OD2-NE 3.35Å; D346-R348 IonicContact OD2-NH2 3.93Å; D346-R348 PolarHBondContact OD2-NH2 2.78Å; D346-Q511 PolarHBondContact OD1-NE2 3.45Å; D346-Q511 PolarHBondContact OD2-NE2 2.84Å
347	G	91.1	Very high	94.9	Very high	48 Å²	48	48.4 Å²	48.4	50%	0.495	26%	0.264	S	S	.	.	S	Bend	trans	80	2.3	178.7	0	0	0	0	0	115.6	R344	R344-G347 PolarHBondContact O-N 2.69Å
348	R	94.7	Very high	95.1	Very high	18 Å²	18	49.1 Å²	49.1	7%	0.068	27%	0.271	C	S	.	.			trans	-65.8	155.8	174.4	-77.6	-169.8	-65.6	150.8	-5	112	R344 D346 E352 D509	R344-R348 WeakPolarHBondContact CD-O 3.46Å; R344-R348 WeakPolarHBondContact CG-O 3.3Å; D346-R348 VanDerWaalsContact C-N 3.32Å; D346-R348 PolarHBondContact O-N 3.28Å; D346-R348 WeakPolarHBondContact OD1-CB 3.31Å; D346-R348 PolarHBondContact OD1-N 2.93Å; D346-R348 IonicContact OD1-NE 3.29Å; D346-R348 IonicContact OD2-CZ 2.66Å; D346-R348 IonicContact OD2-NE 3.97Å; D346-R348 PolarHBondContact OD2-NE 3.35Å; D346-R348 IonicContact OD2-NH2 3.93Å; D346-R348 PolarHBondContact OD2-NH2 2.78Å; R348-E352 WeakPolarHBondContact CA-OE2 3.23Å; R348-E352 HydrophobicContact CB-CB 4.22Å; R348-E352 HydrophobicContact CB-CG 4.31Å; R348-E352 HydrophobicContact CG-CG 4.1Å; R348-E352 PolarHBondContact NH1-O 2.72Å; R348-D509 PolarHBondContact NH1-O 2.98Å; R348-D509 IonicContact NH1-OD2 2.75Å; R348-D509 PolarHBondContact NH1-OD2 3.41Å; R348-D509 PolarHBondContact NH2-O 3.01Å
349	K	95.7	Very high	95.3	Very high	147 Å²	147	54 Å²	54	64%	0.639	29%	0.294	S	S	*	.			trans	-64.8	160.3	163.2	-57.7	174.3	-175.7	171.4	0	110.6	R344 D351 E352	R344-K349 WeakPolarHBondContact CD-O 3.28Å; R344-K349 PolarHBondContact NH1-O 3.26Å; K349-D351 WeakPolarHBondContact CB-OD1 3.45Å; K349-D351 PolarHBondContact O-N 3.41Å; K349-E352 HydrophobicContact CB-CB 3.87Å; K349-E352 PolarHBondContact N-OE2 3.38Å; K349-E352 PolarHBondContact O-N 3.16Å
350	L	95.5	Very high	95.5	Very high	45 Å²	45	55.6 Å²	55.6	24%	0.236	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-34.7	-179.2	-56.7	179.4	0	0	0	112.4	K342 R344 T505 L507 T508	K342-L350 HydrophobicContact CB-CD1 4.23Å; K342-L350 HydrophobicContact CD-CD1 4.21Å; R344-L350 HydrophobicContact CG-CD2 4.18Å; R344-L350 PolarHBondContact NH1-O 3.47Å; L350-T505 HydrophobicContact CD1-CG2 3.78Å; L350-T505 HydrophobicContact CD2-CG2 3.63Å; L350-T505 HydrophobicContact CG-CG2 4.19Å; L350-L507 HydrophobicContact CB-CD2 4.43Å; L350-L507 HydrophobicContact CD2-CD2 3.71Å; L350-L507 WeakPolarHBondContact O-CA 3.3Å; L350-T508 PolarHBondContact O-N 2.72Å
351	D	96.4	Very high	95.8	Very high	92 Å²	92	53 Å²	53	49%	0.492	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-1.6	-177.5	59.2	-15.7	0	0	0	114.2	K349 T508	K349-D351 WeakPolarHBondContact CB-OD1 3.45Å; K349-D351 PolarHBondContact O-N 3.41Å; D351-T508 WeakPolarHBondContact O-CB 3.21Å
352	E	97.4	Very high	96.1	Very high	85 Å²	85	53.2 Å²	53.2	40%	0.397	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-81.6	130.6	-174.1	175.7	178.9	-176.9	0	0	112.6	R344 R348 K349	R344-E352 PolarHBondContact NH1-O 2.84Å; R348-E352 WeakPolarHBondContact CA-OE2 3.23Å; R348-E352 HydrophobicContact CB-CB 4.22Å; R348-E352 HydrophobicContact CB-CG 4.31Å; R348-E352 HydrophobicContact CG-CG 4.1Å; R348-E352 PolarHBondContact NH1-O 2.72Å; K349-E352 HydrophobicContact CB-CB 3.87Å; K349-E352 PolarHBondContact N-OE2 3.38Å; K349-E352 PolarHBondContact O-N 3.16Å
353	I	98.4	Very high	96.3	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.087	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-82.8	142.1	173.6	-49.5	179.2	0	0	0	109.8	L356 R374 T508 D509 A558 E561 I562	I353-L356 HydrophobicContact CG2-CD1 4.32Å; I353-L356 HydrophobicContact CG2-CD2 3.96Å; I353-L356 HydrophobicContact CG2-CG 4.22Å; I353-R374 HydrophobicContact CG2-CG 4.23Å; I353-T508 HydrophobicContact CG1-CG2 4.03Å; I353-D509 HydrophobicContact CG2-CB 4.17Å; I353-A558 HydrophobicContact CD1-CB 3.74Å; I353-A558 HydrophobicContact CG1-CB 4.25Å; I353-E561 HydrophobicContact CD1-CB 3.88Å; I353-E561 HydrophobicContact CD1-CG 4.47Å; I353-E561 WeakPolarHBondContact CD1-OE2 3.33Å; I353-I562 HydrophobicContact CD1-CG1 4.3Å
354	R	97.9	Very high	96.4	Very high	10 Å²	10	53.8 Å²	53.8	4%	0.038	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-62.4	157.9	171.4	-70.4	168.9	-64.9	167.7	-0.1	111.6	L356 R374 T377 N464 G465 D509	R354-L356 PolarHBondContact O-N 3.34Å; R354-R374 HydrophobicContact CB-CG 4.09Å; R354-T377 PolarHBondContact NH1-OG1 2.92Å; R354-N464 PolarHBondContact NH1-O 2.9Å; R354-G465 PolarHBondContact NH2-O 2.81Å; R354-D509 WeakPolarHBondContact CB-OD2 3.17Å; R354-D509 WeakPolarHBondContact CG-OD2 3.05Å; R354-D509 IonicContact CZ-OD1 3.66Å; R354-D509 IonicContact CZ-OD2 2.9Å; R354-D509 PolarHBondContact N-OD2 3.44Å; R354-D509 IonicContact NE-OD1 3.67Å; R354-D509 PolarHBondContact NE-OD1 3.31Å; R354-D509 IonicContact NE-OD2 3.74Å; R354-D509 PolarHBondContact NE-OD2 3.19Å; R354-D509 IonicContact NH2-OD1 3.74Å; R354-D509 PolarHBondContact NH2-OD1 3.47Å; R354-D509 IonicContact NH2-OD2 2.78Å
355	P	97.9	Very high	96.4	Very high	108 Å²	108	61.9 Å²	61.9	70%	0.701	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-49.2	129.9	178.5	-29	35.6	0	0	0	112.9	R374 G375	P355-R374 CarbonylContact O-C 3.56Å; P355-R374 WeakPolarHBondContact O-CA 3.41Å; P355-G375 PolarHBondContact O-N 2.9Å
356	L	98.8	Very high	96.7	Very high	46 Å²	46	63.9 Å²	63.9	24%	0.241	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.2	-176.9	-62.2	177	0	0	0	110.8	I353 R354 F372 T373 R374 I562 V565	I353-L356 HydrophobicContact CG2-CD1 4.32Å; I353-L356 HydrophobicContact CG2-CD2 3.96Å; I353-L356 HydrophobicContact CG2-CG 4.22Å; R354-L356 PolarHBondContact O-N 3.34Å; L356-F372 HydrophobicContact CD2-CE2 4.5Å; L356-F372 HydrophobicContact CD2-CZ 3.83Å; L356-T373 WeakPolarHBondContact CA-O 3.4Å; L356-R374 HydrophobicContact CD2-CB 3.78Å; L356-R374 HydrophobicContact CD2-CG 3.58Å; L356-I562 HydrophobicContact CD1-CG1 3.83Å; L356-I562 HydrophobicContact CD2-CG1 4.33Å; L356-V565 HydrophobicContact CB-CG1 4.23Å; L356-V565 HydrophobicContact CB-CG2 3.95Å; L356-V565 HydrophobicContact CD1-CG2 3.8Å
357	A	98.7	Very high	97	Very high	49 Å²	49	64 Å²	64	41%	0.405	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	148.2	168.8	0	0	0	0	0	110.2	T373	A357-T373 PolarHBondContact N-O 3.21Å; A357-T373 PolarHBondContact O-N 3.11Å
358	A	98.8	Very high	97.3	Very high	18 Å²	18	61.8 Å²	61.8	15%	0.149	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	145.3	179.7	0	0	0	0	0	111	L371 F372 L477 V565 L566 T569	A358-L371 CarbonylContact C-O 3.52Å; A358-L371 VanDerWaalsContact CA-O 3.27Å; A358-L371 WeakPolarHBondContact CA-O 3.22Å; A358-F372 HydrophobicContact CB-CD2 4.3Å; A358-L477 HydrophobicContact CB-CD1 3.71Å; A358-V565 HydrophobicContact CB-CG1 4.12Å; A358-L566 HydrophobicContact CB-CD2 4.45Å; A358-T569 HydrophobicContact CB-CG2 4.04Å; A358-T569 VanDerWaalsContact CB-OG1 3.27Å; A358-T569 WeakPolarHBondContact CB-OG1 3.34Å
359	E	98.7	Very high	97.5	Very high	104 Å²	104	61 Å²	61	49%	0.486	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.9	175.6	-59.7	179.7	-128.6	0	0	110.4	G370 L371	E359-G370 WeakPolarHBondContact O-CA 3.5Å; E359-L371 HydrophobicContact CB-CB 4.17Å; E359-L371 PolarHBondContact N-O 2.88Å; E359-L371 PolarHBondContact O-N 2.62Å
360	T	98.6	Very high	97.7	Very high	36 Å²	36	54 Å²	54	22%	0.221	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	159.8	173	55.4	0	0	0	0	110.7	I362 S369 L477 D481 T569 I570	T360-I362 VanDerWaalsContact C-N 3.27Å; T360-I362 PolarHBondContact O-N 3.08Å; T360-S369 WeakPolarHBondContact CA-O 3.33Å; T360-L477 HydrophobicContact CG2-CB 4.05Å; T360-L477 HydrophobicContact CG2-CD2 4Å; T360-D481 HydrophobicContact CG2-CB 4.23Å; T360-T569 HydrophobicContact CG2-CG2 4.14Å; T360-I570 HydrophobicContact CG2-CB 4.22Å; T360-I570 HydrophobicContact CG2-CD1 4.41Å; T360-I570 HydrophobicContact CG2-CG2 3.92Å
361	G	96.6	Very high	97.8	Very high	37 Å²	37	52.3 Å²	52.3	38%	0.381	29%	0.291	S	S	.	.			trans	68.3	19.3	173.3	0	0	0	0	0	115.7	L363 S369 D481	G361-L363 VanDerWaalsContact C-N 3.32Å; G361-L363 PolarHBondContact O-N 3.29Å; G361-S369 WeakPolarHBondContact CA-OG 3.26Å; G361-S369 PolarHBondContact N-O 3.48Å; G361-S369 VanDerWaalsContact N-O 3.12Å; G361-S369 PolarHBondContact N-OG 2.81Å; G361-D481 WeakPolarHBondContact CA-OD2 3.36Å; G361-D481 PolarHBondContact N-OD2 2.96Å; G361-D481 VanDerWaalsContact N-OD2 3.12Å
362	I	97.3	Very high	98	Very high	73 Å²	73	48 Å²	48	37%	0.374	27%	0.267	S	S	.	.			trans	-66.8	-30.8	179.8	-169.4	173	0	0	0	113	T360 S369 L371 L380	T360-I362 VanDerWaalsContact C-N 3.27Å; T360-I362 PolarHBondContact O-N 3.08Å; I362-S369 PolarHBondContact N-OG 2.94Å; I362-L371 HydrophobicContact CD1-CD2 4.22Å; I362-L380 HydrophobicContact CG2-CD1 3.48Å; I362-L380 VanDerWaalsContact CG2-CD1 3.48Å
363	L	98.2	Very high	98	Very high	61 Å²	61	45.1 Å²	45.1	32%	0.319	26%	0.256	S	S	.	.	S	Bend	trans	-98.7	114	178.5	-64.6	-179	0	0	0	110.2	G361 R365 V366 S369 L380 A382	G361-L363 VanDerWaalsContact C-N 3.32Å; G361-L363 PolarHBondContact O-N 3.29Å; L363-R365 VanDerWaalsContact C-N 3.33Å; L363-R365 PolarHBondContact O-N 2.77Å; L363-V366 HydrophobicContact CB-CB 4.41Å; L363-V366 HydrophobicContact CB-CG1 4.07Å; L363-V366 HydrophobicContact CB-CG2 3.48Å; L363-V366 VanDerWaalsContact CB-CG2 3.48Å; L363-V366 HydrophobicContact CD1-CG1 4Å; L363-V366 HydrophobicContact CD1-CG2 4.18Å; L363-V366 HydrophobicContact CG-CG2 4.46Å; L363-S369 PolarHBondContact N-OG 2.82Å; L363-S369 VanDerWaalsContact N-OG 3.1Å; L363-L380 HydrophobicContact CD1-CD2 4.35Å; L363-L380 HydrophobicContact CD2-CD2 4.41Å; L363-L380 HydrophobicContact CG-CD2 4.48Å; L363-A382 HydrophobicContact CD1-CB 4.03Å
364	P	94	Very high	98	Very high	111 Å²	111	44.3 Å²	44.3	72%	0.721	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.7	-164.8	27	-36.4	0	0	0	115.5	Y580	P364-Y580 VanDerWaalsContact O-CE2 3.32Å; P364-Y580 WeakPolarHBondContact O-CE2 3.44Å
365	R	96.2	Very high	98	Very high	169 Å²	169	45 Å²	45	64%	0.638	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-12.1	-172.6	-69.1	-171.6	66.4	81.6	2.7	114.8	L363 Y580	L363-R365 VanDerWaalsContact C-N 3.33Å; L363-R365 PolarHBondContact O-N 2.77Å; R365-Y580 HydrophobicContact CG-CE2 4.37Å
366	V	97.3	Very high	97.9	Very high	43 Å²	43	41.9 Å²	41.9	26%	0.261	24%	0.238	S	C	.	.	S	Bend	trans	-74	170.1	174.1	-56.2	0	0	0	0	109.2	L363 G368 A382	L363-V366 HydrophobicContact CB-CB 4.41Å; L363-V366 HydrophobicContact CB-CG1 4.07Å; L363-V366 HydrophobicContact CB-CG2 3.48Å; L363-V366 VanDerWaalsContact CB-CG2 3.48Å; L363-V366 HydrophobicContact CD1-CG1 4Å; L363-V366 HydrophobicContact CD1-CG2 4.18Å; L363-V366 HydrophobicContact CG-CG2 4.46Å; V366-G368 VanDerWaalsContact CG2-O 3.22Å; V366-G368 WeakPolarHBondContact CG2-O 3.47Å; V366-A382 HydrophobicContact CG1-CB 4.32Å
367	H	98.2	Very high	97.9	Very high	28 Å²	28	39.7 Å²	39.7	13%	0.13	23%	0.226	C	C	.	.	S	Bend	trans	-78	-35.2	-177.9	-56.9	166.2	0	0	0	111.5	C383 L385 A482 S578 Y580 A581	H367-C383 WeakPolarHBondContact CB-O 3.49Å; H367-C383 PolarHBondContact N-O 2.92Å; H367-L385 HydrophobicContact CB-CD1 4.48Å; H367-L385 HydrophobicContact CB-CG 4.2Å; H367-L385 PolarHBondContact CE1-O 2.77Å; H367-L385 WeakPolarHBondContact ND1-CB 3.46Å; H367-L385 PolarHBondContact ND1-N 2.93Å; H367-L385 PolarHBondContact ND1-O 3.4Å; H367-A482 WeakPolarHBondContact O-CA 3.49Å; H367-S578 WeakPolarHBondContact O-CB 3.39Å; H367-Y580 PolarHBondContact NE2-O 3.27Å; H367-A581 HydrophobicContact CB-CB 4.27Å; H367-A581 WeakPolarHBondContact NE2-CA 3.43Å
368	G	98.7	Very high	97.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	157.8	165.1	0	0	0	0	0	111.1	V366 C383 D481	V366-G368 VanDerWaalsContact CG2-O 3.22Å; V366-G368 WeakPolarHBondContact CG2-O 3.47Å; G368-C383 PolarHBondContact N-O 2.93Å; G368-C383 PolarHBondContact O-N 2.87Å; G368-D481 WeakPolarHBondContact CA-OD2 3.16Å
369	S	98.8	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	145.8	176.6	54.3	0	0	0	0	111.6	T360 G361 I362 L363 S381 D481	T360-S369 WeakPolarHBondContact CA-O 3.33Å; G361-S369 WeakPolarHBondContact CA-OG 3.26Å; G361-S369 PolarHBondContact N-O 3.48Å; G361-S369 VanDerWaalsContact N-O 3.12Å; G361-S369 PolarHBondContact N-OG 2.81Å; I362-S369 PolarHBondContact N-OG 2.94Å; L363-S369 PolarHBondContact N-OG 2.82Å; L363-S369 VanDerWaalsContact N-OG 3.1Å; S369-S381 VanDerWaalsContact CA-O 3.26Å; S369-S381 WeakPolarHBondContact CA-O 3.47Å; S369-D481 PolarHBondContact N-OD2 2.83Å
370	G	98.8	Very high	97.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	124.7	179.1	0	0	0	0	0	110.4	E359 L380 S381	E359-G370 WeakPolarHBondContact O-CA 3.5Å; G370-L380 CarbonylContact O-C 3.6Å; G370-L380 WeakPolarHBondContact O-CA 3.24Å; G370-S381 PolarHBondContact N-O 3.33Å; G370-S381 PolarHBondContact O-N 3.28Å
371	L	98.9	Very high	97.9	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.2	170.3	-174.5	71.4	0	0	0	107.7	A358 E359 I362 Q378 L380 L461 L477	A358-L371 CarbonylContact C-O 3.52Å; A358-L371 VanDerWaalsContact CA-O 3.27Å; A358-L371 WeakPolarHBondContact CA-O 3.22Å; E359-L371 HydrophobicContact CB-CB 4.17Å; E359-L371 PolarHBondContact N-O 2.88Å; E359-L371 PolarHBondContact O-N 2.62Å; I362-L371 HydrophobicContact CD1-CD2 4.22Å; L371-Q378 HydrophobicContact CD1-CG 3.64Å; L371-Q378 HydrophobicContact CG-CG 4.32Å; L371-L380 HydrophobicContact CB-CD1 4.34Å; L371-L380 HydrophobicContact CD1-CB 3.88Å; L371-L380 HydrophobicContact CD1-CD1 4.3Å; L371-L461 HydrophobicContact CD1-CD1 4.06Å; L371-L477 WeakPolarHBondContact O-CD1 3.35Å
372	F	98.9	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.6	172.8	-177.6	-96.4	0	0	0	109.7	L356 A358 R374 Q378 A379 A470 C473 A474 L477 I562 L566	L356-F372 HydrophobicContact CD2-CE2 4.5Å; L356-F372 HydrophobicContact CD2-CZ 3.83Å; A358-F372 HydrophobicContact CB-CD2 4.3Å; F372-R374 HydrophobicContact CE1-CB 3.88Å; F372-R374 HydrophobicContact CZ-CB 4.43Å; F372-Q378 WeakPolarHBondContact O-CA 3.37Å; F372-A379 PolarHBondContact N-O 3.47Å; F372-A379 PolarHBondContact O-N 2.82Å; F372-A470 HydrophobicContact CD1-CB 3.88Å; F372-A470 HydrophobicContact CE1-CB 4.36Å; F372-C473 HydrophobicContact CB-CB 4.03Å; F372-C473 HydrophobicContact CD1-CB 3.68Å; F372-C473 HydrophobicContact CD2-CB 3.58Å; F372-C473 HydrophobicContact CE1-CB 3.93Å; F372-C473 HydrophobicContact CE2-CB 3.85Å; F372-C473 HydrophobicContact CG-CB 3.47Å; F372-C473 VanDerWaalsContact CG-CB 3.47Å; F372-C473 HydrophobicContact CZ-CB 4.01Å; F372-A474 HydrophobicContact CB-CB 4.01Å; F372-L477 HydrophobicContact CB-CD1 4.31Å; F372-I562 HydrophobicContact CE2-CG2 3.9Å; F372-I562 HydrophobicContact CZ-CG2 3.75Å; F372-L566 HydrophobicContact CD2-CD2 3.67Å; F372-L566 HydrophobicContact CE2-CD2 3.83Å
373	T	98.8	Very high	98.1	Very high	25 Å²	25	29.1 Å²	29.1	15%	0.153	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.6	179.3	-52.9	0	0	0	0	109.7	L356 A357 G375 T377 Q378	L356-T373 WeakPolarHBondContact CA-O 3.4Å; A357-T373 PolarHBondContact N-O 3.21Å; A357-T373 PolarHBondContact O-N 3.11Å; T373-G375 WeakPolarHBondContact CG2-O 3.43Å; T373-T377 CarbonylContact C-O 3.2Å; T373-T377 WeakPolarHBondContact CA-O 3.49Å; T373-Q378 HydrophobicContact CG2-CB 4.45Å; T373-Q378 PolarHBondContact OG1-NE2 3.15Å
374	R	98.4	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	96.8	172.6	-178.6	167.4	76.3	-150.8	-1.6	109.2	I353 R354 P355 L356 F372 Q376 T377 S466 G492 D509	I353-R374 HydrophobicContact CG2-CG 4.23Å; R354-R374 HydrophobicContact CB-CG 4.09Å; P355-R374 CarbonylContact O-C 3.56Å; P355-R374 WeakPolarHBondContact O-CA 3.41Å; L356-R374 HydrophobicContact CD2-CB 3.78Å; L356-R374 HydrophobicContact CD2-CG 3.58Å; F372-R374 HydrophobicContact CE1-CB 3.88Å; F372-R374 HydrophobicContact CZ-CB 4.43Å; R374-Q376 PolarHBondContact O-N 2.87Å; R374-T377 PolarHBondContact N-O 3.12Å; R374-T377 WeakPolarHBondContact O-CB 3.33Å; R374-T377 PolarHBondContact O-N 2.74Å; R374-T377 VanDerWaalsContact O-N 3.16Å; R374-S466 PolarHBondContact NH2-O 2.94Å; R374-G492 PolarHBondContact NH1-O 3.37Å; R374-G492 VanDerWaalsContact NH1-O 3.11Å; R374-D509 WeakPolarHBondContact CD-OD1 3.31Å; R374-D509 WeakPolarHBondContact CD-OD2 3.5Å; R374-D509 IonicContact CZ-OD1 2.93Å; R374-D509 VanDerWaalsContact CZ-OD1 3.29Å; R374-D509 IonicContact NE-OD1 3.61Å; R374-D509 PolarHBondContact NE-OD1 2.82Å; R374-D509 IonicContact NE-OD2 3.63Å; R374-D509 IonicContact NH2-OD1 3.67Å; R374-D509 PolarHBondContact NH2-OD1 3.19Å
375	G	96.6	Very high	98.3	Very high	24 Å²	24	23.8 Å²	23.8	25%	0.247	12%	0.123	C	C	.	.	S	Bend	trans	52.5	-131.7	-167.5	0	0	0	0	0	111.3	P355 T373 T377	P355-G375 PolarHBondContact O-N 2.9Å; T373-G375 WeakPolarHBondContact CG2-O 3.43Å; G375-T377 PolarHBondContact O-N 2.9Å
376	Q	96.3	Very high	98.2	Very high	43 Å²	43	16.8 Å²	16.8	20%	0.201	10%	0.102	C	C	.	.	S	Bend	trans	-80	38.1	176.5	-61.4	-177.3	-74.8	0	0	112.9	D286 K287 R374 E462 S463 N464	D286-Q376 PolarHBondContact OD2-NE2 2.81Å; K287-Q376 VanDerWaalsContact CB-OE1 3.29Å; K287-Q376 VanDerWaalsContact N-OE1 3.16Å; R374-Q376 PolarHBondContact O-N 2.87Å; Q376-E462 WeakPolarHBondContact CB-OE1 3.31Å; Q376-E462 WeakPolarHBondContact O-CG 3.33Å; Q376-S463 CarbonylContact O-C 3.57Å; Q376-S463 VanDerWaalsContact O-C 3.27Å; Q376-S463 PolarHBondContact O-N 2.88Å; Q376-N464 HydrophobicContact CB-CB 3.8Å; Q376-N464 WeakPolarHBondContact O-CB 3.27Å; Q376-N464 PolarHBondContact O-N 2.84Å
377	T	98.5	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.095	C	C	.	.			trans	-136.1	115.6	175.6	-58.3	0	0	0	0	109.3	R354 T373 R374 G375 E462 N464 G465 A470	R354-T377 PolarHBondContact NH1-OG1 2.92Å; T373-T377 CarbonylContact C-O 3.2Å; T373-T377 WeakPolarHBondContact CA-O 3.49Å; R374-T377 PolarHBondContact N-O 3.12Å; R374-T377 WeakPolarHBondContact O-CB 3.33Å; R374-T377 PolarHBondContact O-N 2.74Å; R374-T377 VanDerWaalsContact O-N 3.16Å; G375-T377 PolarHBondContact O-N 2.9Å; T377-E462 CarbonylContact C-O 3.6Å; T377-E462 VanDerWaalsContact CA-O 3.32Å; T377-E462 WeakPolarHBondContact CA-O 3.45Å; T377-N464 PolarHBondContact OG1-N 3.46Å; T377-G465 WeakPolarHBondContact CB-O 3.2Å; T377-G465 WeakPolarHBondContact CG2-O 3.34Å; T377-G465 PolarHBondContact OG1-O 2.86Å; T377-A470 HydrophobicContact CG2-CB 3.94Å
378	Q	98.7	Very high	97.4	Very high	51 Å²	51	15.2 Å²	15.2	24%	0.238	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.2	-174.5	-174.8	174	86.5	0	0	110.5	L371 F372 T373 L461 E462	L371-Q378 HydrophobicContact CD1-CG 3.64Å; L371-Q378 HydrophobicContact CG-CG 4.32Å; F372-Q378 WeakPolarHBondContact O-CA 3.37Å; T373-Q378 HydrophobicContact CG2-CB 4.45Å; T373-Q378 PolarHBondContact OG1-NE2 3.15Å; Q378-L461 HydrophobicContact CB-CB 4.3Å; Q378-L461 HydrophobicContact CG-CB 4.2Å; Q378-L461 HydrophobicContact CG-CD1 4.36Å; Q378-L461 PolarHBondContact O-N 2.87Å; Q378-E462 HydrophobicContact CB-CB 4Å; Q378-E462 PolarHBondContact N-O 2.82Å; Q378-E462 PolarHBondContact O-N 3.04Å
379	A	98.9	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.7	175.2	0	0	0	0	0	110.1	F372 E459 A470 A474	F372-A379 PolarHBondContact N-O 3.47Å; F372-A379 PolarHBondContact O-N 2.82Å; A379-E459 WeakPolarHBondContact CA-O 3.4Å; A379-A470 HydrophobicContact CB-CB 3.98Å; A379-A474 HydrophobicContact CB-CB 4.1Å; A379-A474 WeakPolarHBondContact O-CB 3.38Å
380	L	98.9	Very high	96.5	Very high	25 Å²	25	21.9 Å²	21.9	13%	0.131	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.8	172.3	173.6	60.1	0	0	0	108.7	I362 L363 G370 L371 A458 E459 L461	I362-L380 HydrophobicContact CG2-CD1 3.48Å; I362-L380 VanDerWaalsContact CG2-CD1 3.48Å; L363-L380 HydrophobicContact CD1-CD2 4.35Å; L363-L380 HydrophobicContact CD2-CD2 4.41Å; L363-L380 HydrophobicContact CG-CD2 4.48Å; G370-L380 CarbonylContact O-C 3.6Å; G370-L380 WeakPolarHBondContact O-CA 3.24Å; L371-L380 HydrophobicContact CB-CD1 4.34Å; L371-L380 HydrophobicContact CD1-CB 3.88Å; L371-L380 HydrophobicContact CD1-CD1 4.3Å; L380-A458 WeakPolarHBondContact O-CA 3.37Å; L380-E459 PolarHBondContact N-O 2.86Å; L380-E459 PolarHBondContact O-N 2.86Å; L380-L461 HydrophobicContact CB-CD1 3.81Å; L380-L461 HydrophobicContact CB-CG 4.22Å; L380-L461 HydrophobicContact CD2-CD1 4.42Å
381	S	98.9	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.3	175.4	-163.4	0	0	0	0	111.3	S369 G370 V457 A474	S369-S381 VanDerWaalsContact CA-O 3.26Å; S369-S381 WeakPolarHBondContact CA-O 3.47Å; G370-S381 PolarHBondContact N-O 3.33Å; G370-S381 PolarHBondContact O-N 3.28Å; S381-V457 CarbonylContact C-O 3.6Å; S381-V457 VanDerWaalsContact CA-O 3.29Å; S381-V457 WeakPolarHBondContact CA-O 3.28Å; S381-A474 VanDerWaalsContact CB-C 3.47Å; S381-A474 WeakPolarHBondContact CB-O 3.42Å
382	A	98.9	Very high	95.9	Very high	20 Å²	20	28.4 Å²	28.4	17%	0.165	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.2	171.5	0	0	0	0	0	110.2	L363 V366 L456 V457	L363-A382 HydrophobicContact CD1-CB 4.03Å; V366-A382 HydrophobicContact CG1-CB 4.32Å; A382-L456 WeakPolarHBondContact O-CA 3.33Å; A382-V457 PolarHBondContact N-O 2.93Å; A382-V457 PolarHBondContact O-N 2.93Å
383	C	98.9	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.6	174	-175.2	0	0	0	0	110.8	H367 G368 R455 L456 A478 A482	H367-C383 WeakPolarHBondContact CB-O 3.49Å; H367-C383 PolarHBondContact N-O 2.92Å; G368-C383 PolarHBondContact N-O 2.93Å; G368-C383 PolarHBondContact O-N 2.87Å; C383-R455 WeakPolarHBondContact CA-O 3.33Å; C383-L456 HydrophobicContact CB-CD2 3.67Å; C383-A478 HydrophobicContact CB-CB 4.06Å; C383-A478 WeakPolarHBondContact CB-O 3.46Å; C383-A482 HydrophobicContact CB-CB 3.89Å
384	T	98.5	Very high	95.1	Very high	56 Å²	56	36 Å²	36	34%	0.344	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.6	172.3	-52.8	0	0	0	0	108.9	R455	T384-R455 PolarHBondContact N-O 2.93Å; T384-R455 PolarHBondContact O-N 2.84Å
385	L	97.5	Very high	94.5	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.9	178.4	-56.9	-179.7	0	0	0	108.1	H367 F450 Y452 T453 I454 V484 L577 A581 P582	H367-L385 HydrophobicContact CB-CD1 4.48Å; H367-L385 HydrophobicContact CB-CG 4.2Å; H367-L385 PolarHBondContact CE1-O 2.77Å; H367-L385 WeakPolarHBondContact ND1-CB 3.46Å; H367-L385 PolarHBondContact ND1-N 2.93Å; H367-L385 PolarHBondContact ND1-O 3.4Å; L385-F450 HydrophobicContact CD1-CE1 4.39Å; L385-F450 HydrophobicContact CD1-CZ 3.94Å; L385-F450 HydrophobicContact CD2-CE1 3.95Å; L385-F450 HydrophobicContact CD2-CZ 4.31Å; L385-Y452 HydrophobicContact CB-CD1 3.77Å; L385-Y452 HydrophobicContact CB-CE1 4.34Å; L385-Y452 HydrophobicContact CB-CG 4.4Å; L385-T453 WeakPolarHBondContact CA-O 3.49Å; L385-I454 HydrophobicContact CD2-CB 4.45Å; L385-I454 HydrophobicContact CD2-CG1 3.88Å; L385-I454 HydrophobicContact CD2-CG2 4.33Å; L385-V484 HydrophobicContact CD2-CG2 3.85Å; L385-L577 HydrophobicContact CD1-CD1 4.36Å; L385-L577 HydrophobicContact CD1-CD2 4.04Å; L385-A581 HydrophobicContact CD1-CB 4.27Å; L385-P582 WeakPolarHBondContact O-CD 3.42Å
386	A	94.6	Very high	94.2	Very high	23 Å²	23	39 Å²	39	19%	0.19	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	161.5	-179.5	0	0	0	0	0	110.4	E390 Y452 T453	A386-E390 HydrophobicContact CB-CB 3.95Å; A386-E390 HydrophobicContact CB-CG 4.11Å; A386-Y452 CarbonylContact O-C 3.48Å; A386-Y452 WeakPolarHBondContact O-CA 3.41Å; A386-T453 PolarHBondContact N-O 3.48Å; A386-T453 PolarHBondContact O-N 2.62Å
387	P	91.1	Very high	94	Very high	16 Å²	16	37.2 Å²	37.2	10%	0.104	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	150.2	172.4	-21.3	34.4	0	0	0	111.9	G389 E390 T453 I584 K615 A627	P387-G389 PolarHBondContact O-N 2.87Å; P387-G389 VanDerWaalsContact O-N 3.11Å; P387-E390 WeakPolarHBondContact O-CB 3.42Å; P387-E390 PolarHBondContact O-N 3Å; P387-T453 PolarHBondContact O-OG1 3.05Å; P387-I584 HydrophobicContact CB-CD1 4.4Å; P387-K615 HydrophobicContact CG-CD 4.05Å; P387-A627 HydrophobicContact CB-CB 3.81Å; P387-A627 HydrophobicContact CG-CB 3.45Å; P387-A627 VanDerWaalsContact CG-CB 3.45Å
388	L	88.8	Confident	93.5	Very high	21 Å²	21	39.3 Å²	39.3	11%	0.11	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-53.3	-34.6	-177	-74	171.2	0	0	0	113.8	E390 H391 E447 P451 T453	L388-E390 PolarHBondContact O-N 3.23Å; L388-E390 VanDerWaalsContact O-N 3.09Å; L388-H391 WeakPolarHBondContact O-CB 3.37Å; L388-H391 PolarHBondContact O-N 2.65Å; L388-H391 VanDerWaalsContact O-N 3.09Å; L388-H391 PolarHBondContact O-ND1 3.46Å; L388-E447 HydrophobicContact CD2-CG 4.3Å; L388-P451 HydrophobicContact CD1-CB 3.82Å; L388-P451 HydrophobicContact CG-CB 4.33Å; L388-P451 WeakPolarHBondContact CG-O 3.37Å; L388-T453 PolarHBondContact O-OG1 3.3Å
389	G	87.3	Confident	92.8	Very high	40 Å²	40	40.7 Å²	40.7	41%	0.412	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-64.4	-8.9	177.5	0	0	0	0	0	115.1	P387 H391	P387-G389 PolarHBondContact O-N 2.87Å; P387-G389 VanDerWaalsContact O-N 3.11Å; G389-H391 VanDerWaalsContact C-N 3.3Å
390	E	91.3	Very high	92	Very high	102 Å²	102	44.8 Å²	44.8	48%	0.477	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-90.3	8.8	174.3	-59	-73.9	172.6	0	0	112.6	A386 P387 L388 K615	A386-E390 HydrophobicContact CB-CB 3.95Å; A386-E390 HydrophobicContact CB-CG 4.11Å; P387-E390 WeakPolarHBondContact O-CB 3.42Å; P387-E390 PolarHBondContact O-N 3Å; L388-E390 PolarHBondContact O-N 3.23Å; L388-E390 VanDerWaalsContact O-N 3.09Å; E390-K615 IonicContact OE1-NZ 2.71Å; E390-K615 PolarHBondContact OE1-NZ 3.39Å
391	H	91.7	Very high	91.2	Very high	68 Å²	68	51 Å²	51	32%	0.315	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-56.4	150.1	172.8	64.9	-98.7	0	0	0	111.2	L388 G389 I393 S402 K403 R404 T453	L388-H391 WeakPolarHBondContact O-CB 3.37Å; L388-H391 PolarHBondContact O-N 2.65Å; L388-H391 VanDerWaalsContact O-N 3.09Å; L388-H391 PolarHBondContact O-ND1 3.46Å; G389-H391 VanDerWaalsContact C-N 3.3Å; H391-I393 PolarHBondContact O-N 2.9Å; H391-S402 VanDerWaalsContact CD2-CB 3.41Å; H391-S402 WeakPolarHBondContact CD2-CB 3.24Å; H391-K403 WeakPolarHBondContact CB-O 3.35Å; H391-R404 HydrophobicContact CB-CB 4.4Å; H391-T453 PolarHBondContact N-OG1 2.97Å
392	Q	93.5	Very high	90.8	Very high	80 Å²	80	53.8 Å²	53.8	37%	0.374	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.2	175.4	-179.8	-179.4	5.2	0	0	109.5	I394 S402 K403 I406	Q392-I394 HydrophobicContact CG-CD1 3.86Å; Q392-S402 CarbonylContact O-C 3.54Å; Q392-S402 WeakPolarHBondContact O-CA 3.48Å; Q392-S402 WeakPolarHBondContact O-CB 3.4Å; Q392-K403 HydrophobicContact CB-CB 4.36Å; Q392-K403 PolarHBondContact N-O 3.15Å; Q392-K403 PolarHBondContact O-N 2.74Å; Q392-I406 HydrophobicContact CB-CD1 3.91Å
393	I	90.8	Very high	90.6	Very high	132 Å²	132	55.8 Å²	55.8	68%	0.677	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.7	167.8	-59.8	172.6	0	0	0	108.9	H391	H391-I393 PolarHBondContact O-N 2.9Å
394	I	89.5	Confident	90.4	Very high	51 Å²	51	58 Å²	58	26%	0.262	33%	0.328	S	S	.	.			trans	-104.9	115.5	179.2	-55.5	-61.5	0	0	0	109	Q392 V400 E401 K403	Q392-I394 HydrophobicContact CG-CD1 3.86Å; I394-V400 HydrophobicContact CG1-CG1 4.47Å; I394-E401 PolarHBondContact N-O 3.07Å; I394-K403 HydrophobicContact CD1-CD 4.27Å; I394-K403 HydrophobicContact CD1-CG 4.24Å; I394-K403 HydrophobicContact CG1-CG 4.16Å
395	D	86.5	Confident	90.4	Very high	76 Å²	76	56 Å²	56	41%	0.406	32%	0.315	S	S	.	.			trans	-101	93.5	170.6	-173	24.8	0	0	0	108.4	M91 G99	M91-D395 VanDerWaalsContact CE-O 3.25Å; M91-D395 WeakPolarHBondContact CE-O 3.36Å; G99-D395 VanDerWaalsContact CA-OD2 3.24Å; G99-D395 WeakPolarHBondContact CA-OD2 3.27Å; G99-D395 PolarHBondContact N-OD2 3.27Å
396	G	89.9	Confident	90.4	Very high	12 Å²	12	56.6 Å²	56.6	12%	0.124	32%	0.317	C	S	.	.	S	Bend	trans	-142.7	-171.3	-175.5	0	0	0	0	0	113.4	K96	K96-G396 PolarHBondContact NZ-O 3.12Å
397	L	91.9	Very high	90.6	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	31%	0.309	C	S	.	.	S	Bend	trans	-85	-21	-179.9	-55.2	-173.9	0	0	0	113.9	E89 K90 M91 V94 V141 V144 Q146	E89-L397 HydrophobicContact CB-CD1 3.82Å; E89-L397 HydrophobicContact CB-CG 4.12Å; E89-L397 HydrophobicContact CG-CD1 3.81Å; E89-L397 HydrophobicContact CG-CG 4.21Å; K90-L397 WeakPolarHBondContact O-CD2 3.18Å; M91-L397 HydrophobicContact SD-CD2 4.13Å; V94-L397 HydrophobicContact CG1-CB 4.29Å; V94-L397 HydrophobicContact CG1-CD2 4.3Å; V94-L397 WeakPolarHBondContact CG1-O 3.47Å; V94-L397 HydrophobicContact CG2-CD2 3.82Å; V141-L397 HydrophobicContact CB-CD1 3.98Å; V141-L397 HydrophobicContact CG1-CD1 3.68Å; V141-L397 HydrophobicContact CG2-CD1 4.39Å; V144-L397 HydrophobicContact CG2-CB 4.38Å; V144-L397 HydrophobicContact CG2-CD1 4.16Å; Q146-L397 PolarHBondContact NE2-O 3.35Å
398	G	87.4	Confident	91	Very high	44 Å²	44	58.4 Å²	58.4	45%	0.454	32%	0.321	S	S	.	.	S	Bend	trans	-84.1	-173.9	-176.7	0	0	0	0	0	114.8
399	T	85	Confident	91.4	Very high	79 Å²	79	57.7 Å²	57.7	49%	0.485	32%	0.316	S	S	.	.	S	Bend	trans	-83.5	-16.1	176.3	54.9	0	0	0	0	113.9	Q146 V191 E401	Q146-T399 HydrophobicContact CB-CG2 4.23Å; Q146-T399 HydrophobicContact CG-CG2 4.06Å; V191-T399 HydrophobicContact CG1-CG2 4.2Å; V191-T399 HydrophobicContact CG2-CG2 4.09Å; T399-E401 WeakPolarHBondContact O-CG 3.49Å; T399-E401 PolarHBondContact O-N 2.87Å
400	V	81.3	Confident	91.9	Very high	86 Å²	86	57.9 Å²	57.9	52%	0.521	31%	0.308	S	S	.	.			trans	-70.9	113.7	179.2	-179.7	0	0	0	0	109.7	I394	I394-V400 HydrophobicContact CG1-CG1 4.47Å
401	E	81.2	Confident	92.2	Very high	155 Å²	155	54.3 Å²	54.3	72%	0.724	29%	0.291	S	S	*	.			trans	-95.7	-26.7	-177.8	-56.4	-167.1	148.5	0	0	112.9	I394 T399	I394-E401 PolarHBondContact N-O 3.07Å; T399-E401 WeakPolarHBondContact O-CG 3.49Å; T399-E401 PolarHBondContact O-N 2.87Å
402	S	91.4	Very high	92.3	Very high	59 Å²	59	52.7 Å²	52.7	41%	0.413	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	161.5	-176.8	67.9	0	0	0	0	114.1	H391 Q392	H391-S402 VanDerWaalsContact CD2-CB 3.41Å; H391-S402 WeakPolarHBondContact CD2-CB 3.24Å; Q392-S402 CarbonylContact O-C 3.54Å; Q392-S402 WeakPolarHBondContact O-CA 3.48Å; Q392-S402 WeakPolarHBondContact O-CB 3.4Å
403	K	94.1	Very high	92.3	Very high	63 Å²	63	52.7 Å²	52.7	27%	0.274	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	118.2	171.6	-67.3	-171.5	174.9	-165	0	110.6	H391 Q392 I394 I406 E437	H391-K403 WeakPolarHBondContact CB-O 3.35Å; Q392-K403 HydrophobicContact CB-CB 4.36Å; Q392-K403 PolarHBondContact N-O 3.15Å; Q392-K403 PolarHBondContact O-N 2.74Å; I394-K403 HydrophobicContact CD1-CD 4.27Å; I394-K403 HydrophobicContact CD1-CG 4.24Å; I394-K403 HydrophobicContact CG1-CG 4.16Å; K403-I406 HydrophobicContact CB-CG1 4.41Å; K403-E437 IonicContact NZ-OE1 3.53Å; K403-E437 PolarHBondContact NZ-OE1 3.02Å
404	R	95	Very high	92.5	Very high	45 Å²	45	52.6 Å²	52.6	17%	0.17	28%	0.282	C	S	.	.	S	Bend	trans	-88.8	-24.1	169.3	73.1	167.3	176.7	107.8	12.5	113.6	H391 P445 E447 T453 I454	H391-R404 HydrophobicContact CB-CB 4.4Å; R404-P445 VanDerWaalsContact CZ-O 3.25Å; R404-P445 PolarHBondContact NH1-O 2.97Å; R404-P445 VanDerWaalsContact NH1-O 3.07Å; R404-P445 PolarHBondContact NH2-O 2.9Å; R404-E447 WeakPolarHBondContact CD-OE1 3.46Å; R404-E447 IonicContact NE-OE1 2.92Å; R404-T453 CarbonylContact O-C 3.57Å; R404-T453 VanDerWaalsContact O-CA 3.3Å; R404-T453 WeakPolarHBondContact O-CA 3.08Å; R404-T453 VanDerWaalsContact O-CG2 3.29Å; R404-T453 WeakPolarHBondContact O-CG2 3.31Å; R404-I454 PolarHBondContact O-N 3.47Å
405	F	98.2	Very high	92.8	Very high	16 Å²	16	50.4 Å²	50.4	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.7	173.6	176	-117.6	0	0	0	109.2	H407 E437 L440 A441 I444 I454 L456	F405-H407 HydrophobicContact CZ-CB 4.28Å; F405-E437 HydrophobicContact CD1-CG 3.96Å; F405-E437 HydrophobicContact CE1-CG 3.96Å; F405-L440 HydrophobicContact CE1-CB 3.81Å; F405-L440 HydrophobicContact CZ-CB 3.63Å; F405-L440 HydrophobicContact CZ-CD1 4.34Å; F405-A441 HydrophobicContact CD1-CB 4.01Å; F405-A441 HydrophobicContact CE1-CB 4.29Å; F405-I444 HydrophobicContact CB-CG1 4.36Å; F405-I444 HydrophobicContact CD1-CD1 4.5Å; F405-I444 HydrophobicContact CD1-CG1 3.97Å; F405-I444 HydrophobicContact CD2-CD1 3.8Å; F405-I444 HydrophobicContact CD2-CG1 4Å; F405-I444 HydrophobicContact CE1-CD1 4.45Å; F405-I444 HydrophobicContact CE1-CG1 4.23Å; F405-I444 HydrophobicContact CE2-CD1 3.76Å; F405-I444 HydrophobicContact CE2-CG1 4.27Å; F405-I444 HydrophobicContact CG-CD1 4.18Å; F405-I444 HydrophobicContact CG-CG1 3.84Å; F405-I444 HydrophobicContact CZ-CD1 4.09Å; F405-I444 HydrophobicContact CZ-CG1 4.37Å; F405-I454 WeakPolarHBondContact CA-O 3.4Å; F405-I454 HydrophobicContact CD2-CB 3.94Å; F405-I454 HydrophobicContact CD2-CG2 3.81Å; F405-I454 HydrophobicContact CE2-CG2 4.06Å; F405-L456 HydrophobicContact CE2-CD1 3.9Å; F405-L456 HydrophobicContact CE2-CG 4.17Å; F405-L456 HydrophobicContact CZ-CD1 3.96Å
406	I	98.5	Very high	93.1	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	128	-175.5	-58.1	163.3	0	0	0	108.4	Q392 K403 H408 E437 I454 R455 L456	Q392-I406 HydrophobicContact CB-CD1 3.91Å; K403-I406 HydrophobicContact CB-CG1 4.41Å; I406-H408 WeakPolarHBondContact CG2-CE1 3.28Å; I406-E437 WeakPolarHBondContact CA-OE2 3.4Å; I406-I454 PolarHBondContact N-O 2.78Å; I406-R455 HydrophobicContact CB-CG 4.46Å; I406-R455 CarbonylContact O-C 3.57Å; I406-R455 WeakPolarHBondContact O-CA 3.24Å; I406-L456 PolarHBondContact O-N 2.94Å
407	H	98.7	Very high	93.2	Very high	4 Å²	4	51 Å²	51	2%	0.019	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.5	173.5	177.8	-88.2	0	0	0	111	F405 G433 E437	F405-H407 HydrophobicContact CZ-CB 4.28Å; H407-G433 PolarHBondContact ND1-O 3.45Å; H407-E437 HydrophobicContact CB-CB 3.8Å; H407-E437 HydrophobicContact CB-CG 4.22Å; H407-E437 PolarHBondContact N-OE2 3.13Å
408	H	98.5	Very high	93.1	Very high	74 Å²	74	53 Å²	53	34%	0.343	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	143.3	173.7	-68.3	116.5	0	0	0	111.1	I406 R455 L456 V457 A458	I406-H408 WeakPolarHBondContact CG2-CE1 3.28Å; H408-R455 PolarHBondContact ND1-NE 2.83Å; H408-R455 PolarHBondContact ND1-NH2 3.42Å; H408-L456 PolarHBondContact N-O 2.9Å; H408-V457 HydrophobicContact CB-CG1 4.44Å; H408-V457 HydrophobicContact CB-CG2 4.36Å; H408-V457 WeakPolarHBondContact O-CA 3.48Å; H408-A458 PolarHBondContact O-N 2.7Å
409	Y	98.4	Very high	93.3	Very high	5 Å²	5	57.6 Å²	57.6	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.3	178.6	172.7	-82.2	0	0	0	109	F411 E429 H432 V460 S467	Y409-F411 HydrophobicContact CE1-CB 3.83Å; Y409-F411 HydrophobicContact CE1-CD2 4.21Å; Y409-F411 HydrophobicContact CE1-CG 4.46Å; Y409-F411 WeakPolarHBondContact OH-CD2 3.12Å; Y409-E429 HydrophobicContact CD1-CB 4.15Å; Y409-E429 HydrophobicContact CD1-CG 4.34Å; Y409-E429 HydrophobicContact CE1-CG 4.48Å; Y409-H432 HydrophobicContact CD1-CB 3.61Å; Y409-H432 HydrophobicContact CD2-CB 3.99Å; Y409-H432 HydrophobicContact CE1-CB 3.72Å; Y409-H432 AromaticContact CE1-CG 3.99Å; Y409-H432 AromaticContact CE1-ND1 3.47Å; Y409-H432 WeakPolarHBondContact CE1-ND1 3.39Å; Y409-H432 HydrophobicContact CE2-CB 4.1Å; Y409-H432 HydrophobicContact CG-CB 3.73Å; Y409-H432 AromaticContact CZ-ND1 3.39Å; Y409-H432 PolarHBondContact OH-ND1 3.02Å; Y409-V460 HydrophobicContact CD2-CG2 4.34Å; Y409-V460 HydrophobicContact CE1-CG2 4.46Å; Y409-V460 HydrophobicContact CE2-CG2 3.52Å; Y409-S467 WeakPolarHBondContact OH-CB 3.41Å; Y409-S467 PolarHBondContact OH-OG 3.28Å
410	N	97.7	Very high	93.3	Very high	45 Å²	45	56.1 Å²	56.1	24%	0.241	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.6	179.8	-69.5	-31.3	0	0	0	110.3	A458 E459 V460	N410-A458 PolarHBondContact N-O 2.79Å; N410-E459 WeakPolarHBondContact CB-OE2 2.99Å; N410-E459 PolarHBondContact ND2-OE1 2.58Å; N410-E459 PolarHBondContact ND2-OE2 2.8Å; N410-V460 WeakPolarHBondContact O-CG2 3.25Å; N410-V460 PolarHBondContact O-N 2.94Å
411	F	96.3	Very high	93.3	Very high	26 Å²	26	63.9 Å²	63.9	11%	0.114	34%	0.341	C	S	.	.			trans	-125.9	80.1	-179.2	-163.3	-93.8	0	0	0	110.5	Y409 V416 E429 V460 S463	Y409-F411 HydrophobicContact CE1-CB 3.83Å; Y409-F411 HydrophobicContact CE1-CD2 4.21Å; Y409-F411 HydrophobicContact CE1-CG 4.46Å; Y409-F411 WeakPolarHBondContact OH-CD2 3.12Å; F411-V416 HydrophobicContact CE1-CG1 3.72Å; F411-V416 HydrophobicContact CE1-CG2 4.45Å; F411-V416 HydrophobicContact CZ-CG1 3.46Å; F411-V416 VanDerWaalsContact CZ-CG1 3.46Å; F411-E429 HydrophobicContact CB-CG 3.98Å; F411-V460 HydrophobicContact CD2-CB 3.92Å; F411-V460 HydrophobicContact CD2-CG1 3.91Å; F411-V460 HydrophobicContact CD2-CG2 4.02Å; F411-V460 HydrophobicContact CE2-CB 4.42Å; F411-V460 HydrophobicContact CE2-CG1 3.9Å; F411-S463 WeakPolarHBondContact CE2-OG 3.45Å
412	P	94.4	Very high	93.3	Very high	35 Å²	35	61.5 Å²	61.5	23%	0.227	35%	0.348	C	S	.	.			trans	-70.7	146	-179.4	30.4	-35.1	0	0	0	111.4	F414 S415 V460	P412-F414 HydrophobicContact CB-CD1 3.66Å; P412-F414 HydrophobicContact CB-CE1 3.41Å; P412-F414 VanDerWaalsContact CB-CE1 3.41Å; P412-F414 HydrophobicContact CB-CZ 4.11Å; P412-F414 HydrophobicContact CG-CD1 3.9Å; P412-F414 HydrophobicContact CG-CE1 3.29Å; P412-F414 HydrophobicContact CG-CE2 4.18Å; P412-F414 HydrophobicContact CG-CZ 3.44Å; P412-F414 VanDerWaalsContact CG-CZ 3.44Å; P412-F414 PolarHBondContact O-N 2.61Å; P412-F414 VanDerWaalsContact O-N 3.11Å; P412-S415 VanDerWaalsContact O-CB 3.29Å; P412-S415 WeakPolarHBondContact O-CB 3.27Å; P412-S415 PolarHBondContact O-N 3.16Å; P412-S415 PolarHBondContact O-OG 2.82Å; P412-V460 VanDerWaalsContact CD-O 3.31Å; P412-V460 WeakPolarHBondContact CD-O 3.36Å; P412-V460 VanDerWaalsContact CG-O 3.32Å; P412-V460 WeakPolarHBondContact CG-O 3.33Å
413	Q	93.6	Very high	93	Very high	80 Å²	80	62.1 Å²	62.1	37%	0.374	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-57.7	-32.2	-174.5	-65.3	-68.4	-33.5	0	0	114	S415 V416 G417 S418	Q413-S415 PolarHBondContact O-N 3.01Å; Q413-S415 VanDerWaalsContact O-N 3.12Å; Q413-V416 WeakPolarHBondContact O-CG2 3.37Å; Q413-V416 PolarHBondContact O-N 3.34Å; Q413-V416 VanDerWaalsContact O-N 3.14Å; Q413-G417 PolarHBondContact O-N 2.89Å; Q413-S418 CarbonylContact C-O 3.41Å; Q413-S418 WeakPolarHBondContact CB-O 3.43Å; Q413-S418 PolarHBondContact O-N 2.9Å; Q413-S418 PolarHBondContact O-OG 3.25Å; Q413-S418 PolarHBondContact OE1-OG 3.5Å
414	F	95	Very high	92.7	Very high	130 Å²	130	63.8 Å²	63.8	57%	0.57	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-61	-24.1	177.1	74.2	-105.4	0	0	0	112.6	P412 V416 G417 L461	P412-F414 HydrophobicContact CB-CD1 3.66Å; P412-F414 HydrophobicContact CB-CE1 3.41Å; P412-F414 VanDerWaalsContact CB-CE1 3.41Å; P412-F414 HydrophobicContact CB-CZ 4.11Å; P412-F414 HydrophobicContact CG-CD1 3.9Å; P412-F414 HydrophobicContact CG-CE1 3.29Å; P412-F414 HydrophobicContact CG-CE2 4.18Å; P412-F414 HydrophobicContact CG-CZ 3.44Å; P412-F414 VanDerWaalsContact CG-CZ 3.44Å; P412-F414 PolarHBondContact O-N 2.61Å; P412-F414 VanDerWaalsContact O-N 3.11Å; F414-V416 PolarHBondContact O-N 2.88Å; F414-V416 VanDerWaalsContact O-N 3.13Å; F414-G417 PolarHBondContact O-N 2.91Å; F414-L461 WeakPolarHBondContact CE2-O 3.35Å; F414-L461 HydrophobicContact CZ-CD2 4.34Å
415	S	95.3	Very high	92.5	Very high	4 Å²	4	64.9 Å²	64.9	3%	0.028	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-66.8	-14.3	-179.2	77.9	0	0	0	0	112.9	P412 Q413 V460 E462 S463	P412-S415 VanDerWaalsContact O-CB 3.29Å; P412-S415 WeakPolarHBondContact O-CB 3.27Å; P412-S415 PolarHBondContact O-N 3.16Å; P412-S415 PolarHBondContact O-OG 2.82Å; Q413-S415 PolarHBondContact O-N 3.01Å; Q413-S415 VanDerWaalsContact O-N 3.12Å; S415-V460 WeakPolarHBondContact CB-O 3.15Å; S415-E462 CarbonylContact O-C 3.48Å; S415-E462 WeakPolarHBondContact O-CA 3.47Å; S415-S463 PolarHBondContact O-N 2.73Å
416	V	94.1	Very high	92.2	Very high	41 Å²	41	65.7 Å²	65.7	25%	0.248	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-119.3	12.1	171.7	-62.9	0	0	0	0	112.3	F411 Q413 F414 S418	F411-V416 HydrophobicContact CE1-CG1 3.72Å; F411-V416 HydrophobicContact CE1-CG2 4.45Å; F411-V416 HydrophobicContact CZ-CG1 3.46Å; F411-V416 VanDerWaalsContact CZ-CG1 3.46Å; Q413-V416 WeakPolarHBondContact O-CG2 3.37Å; Q413-V416 PolarHBondContact O-N 3.34Å; Q413-V416 VanDerWaalsContact O-N 3.14Å; F414-V416 PolarHBondContact O-N 2.88Å; F414-V416 VanDerWaalsContact O-N 3.13Å; V416-S418 VanDerWaalsContact C-N 3.29Å; V416-S418 VanDerWaalsContact CG2-OG 3.26Å; V416-S418 WeakPolarHBondContact CG2-OG 3.4Å; V416-S418 PolarHBondContact O-N 3.05Å
417	G	91.7	Very high	91.9	Very high	59 Å²	59	70.3 Å²	70.3	61%	0.608	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	15	-180	0	0	0	0	0	115	Q413 F414	Q413-G417 PolarHBondContact O-N 2.89Å; F414-G417 PolarHBondContact O-N 2.91Å
418	S	89.9	Confident	91.6	Very high	48 Å²	48	75.9 Å²	75.9	34%	0.336	45%	0.446	S	S	.	.			trans	-104.5	167.9	-176.4	66.2	0	0	0	0	113.3	Q413 V416	Q413-S418 CarbonylContact C-O 3.41Å; Q413-S418 WeakPolarHBondContact CB-O 3.43Å; Q413-S418 PolarHBondContact O-N 2.9Å; Q413-S418 PolarHBondContact O-OG 3.25Å; Q413-S418 PolarHBondContact OE1-OG 3.5Å; V416-S418 VanDerWaalsContact C-N 3.29Å; V416-S418 VanDerWaalsContact CG2-OG 3.26Å; V416-S418 WeakPolarHBondContact CG2-OG 3.4Å; V416-S418 PolarHBondContact O-N 3.05Å
419	T	90.8	Very high	91.5	Very high	141 Å²	141	74.1 Å²	74.1	87%	0.865	44%	0.438	S	S	*	.			trans	-107	156.3	165.6	67.2	0	0	0	0	110.1
420	G	84.5	Confident	91.4	Very high	49 Å²	49	76.1 Å²	76.1	51%	0.505	45%	0.448	S	S	.	.			trans	-177.3	177.2	178.7	0	0	0	0	0	112.5	A422	G420-A422 PolarHBondContact O-N 2.84Å
421	R	82.2	Confident	91.3	Very high	248 Å²	248	74.2 Å²	74.2	94%	0.936	44%	0.439	S	S	*	.			trans	-68.7	119.9	175.6	-69.9	-174.2	179.4	-169.7	1.1	109.7
422	A	80.7	Confident	91.3	Very high	106 Å²	106	73.4 Å²	73.4	88%	0.876	44%	0.436	S	S	*	.			trans	-79.4	140.1	168.8	0	0	0	0	0	110.2	G420	G420-A422 PolarHBondContact O-N 2.84Å
423	G	84.9	Confident	91.5	Very high	72 Å²	72	72 Å²	72	74%	0.742	43%	0.427	S	S	*	.			trans	-176.1	-165.3	-177.9	0	0	0	0	0	112.9
424	S	88.2	Confident	91.7	Very high	98 Å²	98	69 Å²	69	69%	0.685	42%	0.417	S	S	*	.	S	Bend	trans	-61.8	154.9	173	-57.5	0	0	0	0	111.6	G426	S424-G426 PolarHBondContact O-N 2.92Å
425	P	91.2	Very high	91.8	Very high	68 Å²	68	63.1 Å²	63.1	44%	0.442	39%	0.391	S	S	.	.			trans	-51.7	134	176.8	-27.3	35.2	0	0	0	112	E429 I430	P425-E429 HydrophobicContact CB-CB 3.9Å; P425-I430 HydrophobicContact CB-CG1 4.36Å
426	G	92	Very high	92	Very high	32 Å²	32	63 Å²	63	33%	0.33	39%	0.39	S	S	.	.			trans	-80.9	-179.5	176.3	0	0	0	0	0	112.3	S424 R428 E429 I430	S424-G426 PolarHBondContact O-N 2.92Å; G426-R428 PolarHBondContact O-N 3.37Å; G426-E429 VanDerWaalsContact C-OE2 3.25Å; G426-E429 WeakPolarHBondContact CA-OE2 3.49Å; G426-E429 PolarHBondContact N-OE2 2.74Å; G426-E429 PolarHBondContact O-N 3.06Å; G426-I430 WeakPolarHBondContact O-CG1 3.49Å; G426-I430 PolarHBondContact O-N 3.37Å; G426-I430 VanDerWaalsContact O-N 3.09Å
427	R	92.7	Very high	92.2	Very high	111 Å²	111	62.5 Å²	62.5	42%	0.419	39%	0.385	S	S	.	.	H	α-helix	trans	-58.4	-33.8	177.3	-58.4	-169.7	175.2	-176.6	-3.1	111.5	T113 R117 G431	T113-R427 HydrophobicContact CG2-CB 3.78Å; T113-R427 HydrophobicContact CG2-CG 3.64Å; R117-R427 WeakPolarHBondContact CD-O 3.31Å; R117-R427 PolarHBondContact NH1-O 3.04Å; R427-G431 PolarHBondContact O-N 3.29Å; R427-G431 VanDerWaalsContact O-N 3.16Å
428	R	91.3	Very high	92.5	Very high	122 Å²	122	62.3 Å²	62.3	46%	0.46	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-53.9	-179.9	-170.7	178.3	-176.4	179.7	2.8	110.9	R117 G426 G431 H432	R117-R428 PolarHBondContact NH1-O 2.88Å; G426-R428 PolarHBondContact O-N 3.37Å; R428-G431 PolarHBondContact O-N 3.24Å; R428-H432 PolarHBondContact O-N 2.79Å
429	E	95.6	Very high	92.9	Very high	36 Å²	36	60 Å²	60	17%	0.168	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-44.1	-178	-66.9	78.1	-171.3	0	0	111.4	Y409 F411 P425 G426 G431 H432 G433	Y409-E429 HydrophobicContact CD1-CB 4.15Å; Y409-E429 HydrophobicContact CD1-CG 4.34Å; Y409-E429 HydrophobicContact CE1-CG 4.48Å; F411-E429 HydrophobicContact CB-CG 3.98Å; P425-E429 HydrophobicContact CB-CB 3.9Å; G426-E429 VanDerWaalsContact C-OE2 3.25Å; G426-E429 WeakPolarHBondContact CA-OE2 3.49Å; G426-E429 PolarHBondContact N-OE2 2.74Å; G426-E429 PolarHBondContact O-N 3.06Å; E429-G431 VanDerWaalsContact C-N 3.32Å; E429-G431 PolarHBondContact O-N 3.33Å; E429-H432 PolarHBondContact O-N 2.72Å; E429-G433 PolarHBondContact O-N 2.75Å
430	I	96.5	Very high	93.3	Very high	47 Å²	47	53.3 Å²	53.3	24%	0.241	31%	0.309	C	S	.	.	H	α-helix	trans	-58.1	-45.1	175.1	-68.2	169.1	0	0	0	111	T110 T113 L114 P425 G426 G433 A434	T110-I430 HydrophobicContact CG2-CG2 3.72Å; T113-I430 HydrophobicContact CG2-CD1 4.49Å; L114-I430 HydrophobicContact CD2-CG2 4.23Å; L114-I430 HydrophobicContact CG-CG2 4.46Å; P425-I430 HydrophobicContact CB-CG1 4.36Å; G426-I430 WeakPolarHBondContact O-CG1 3.49Å; G426-I430 PolarHBondContact O-N 3.37Å; G426-I430 VanDerWaalsContact O-N 3.09Å; I430-G433 PolarHBondContact O-N 3.05Å; I430-A434 WeakPolarHBondContact O-CB 3.36Å; I430-A434 PolarHBondContact O-N 2.94Å
431	G	96.1	Very high	93.9	Very high	5 Å²	5	52.9 Å²	52.9	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-67.3	-39	178.8	0	0	0	0	0	114.1	R427 R428 E429 G433 A434 L435	R427-G431 PolarHBondContact O-N 3.29Å; R427-G431 VanDerWaalsContact O-N 3.16Å; R428-G431 PolarHBondContact O-N 3.24Å; E429-G431 VanDerWaalsContact C-N 3.32Å; E429-G431 PolarHBondContact O-N 3.33Å; G431-G433 VanDerWaalsContact C-N 3.34Å; G431-A434 PolarHBondContact O-N 3.33Å; G431-L435 PolarHBondContact O-N 3.39Å
432	H	96.9	Very high	94.7	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.046	27%	0.269	C	S	.	.	H	α-helix	trans	-67.3	-37.6	173.9	-71.7	-176.4	0	0	0	111.8	Y409 R428 E429 L435 G436	Y409-H432 HydrophobicContact CD1-CB 3.61Å; Y409-H432 HydrophobicContact CD2-CB 3.99Å; Y409-H432 HydrophobicContact CE1-CB 3.72Å; Y409-H432 AromaticContact CE1-CG 3.99Å; Y409-H432 AromaticContact CE1-ND1 3.47Å; Y409-H432 WeakPolarHBondContact CE1-ND1 3.39Å; Y409-H432 HydrophobicContact CE2-CB 4.1Å; Y409-H432 HydrophobicContact CG-CB 3.73Å; Y409-H432 AromaticContact CZ-ND1 3.39Å; Y409-H432 PolarHBondContact OH-ND1 3.02Å; R428-H432 PolarHBondContact O-N 2.79Å; E429-H432 PolarHBondContact O-N 2.72Å; H432-L435 PolarHBondContact O-N 2.88Å; H432-G436 PolarHBondContact O-N 3.26Å
433	G	98.1	Very high	95.5	Very high	4 Å²	4	38.8 Å²	38.8	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-48.5	173.1	0	0	0	0	0	111.7	H407 E429 I430 G431 L435 G436 E437	H407-G433 PolarHBondContact ND1-O 3.45Å; E429-G433 PolarHBondContact O-N 2.75Å; I430-G433 PolarHBondContact O-N 3.05Å; G431-G433 VanDerWaalsContact C-N 3.34Å; G433-L435 PolarHBondContact O-N 3.05Å; G433-G436 PolarHBondContact O-N 3.18Å; G433-E437 WeakPolarHBondContact O-CB 3.44Å; G433-E437 PolarHBondContact O-N 3.37Å
434	A	97.6	Very high	96.2	Very high	19 Å²	19	36.4 Å²	36.4	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-38.1	178.6	0	0	0	0	0	113.3	L114 I430 G431 E437 R438	L114-A434 HydrophobicContact CD1-CB 3.64Å; L114-A434 HydrophobicContact CD2-CB 3.77Å; L114-A434 HydrophobicContact CG-CB 4.37Å; I430-A434 WeakPolarHBondContact O-CB 3.36Å; I430-A434 PolarHBondContact O-N 2.94Å; G431-A434 PolarHBondContact O-N 3.33Å; A434-E437 PolarHBondContact O-N 3.42Å; A434-R438 WeakPolarHBondContact O-CB 3.38Å; A434-R438 PolarHBondContact O-N 3.46Å
435	L	98	Very high	96.6	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-45.7	173.8	178.3	62	0	0	0	111.4	G431 H432 G433 E437 R438 A439 K523 A533 Q535	G431-L435 PolarHBondContact O-N 3.39Å; H432-L435 PolarHBondContact O-N 2.88Å; G433-L435 PolarHBondContact O-N 3.05Å; L435-E437 VanDerWaalsContact C-N 3.35Å; L435-R438 PolarHBondContact O-N 2.94Å; L435-A439 PolarHBondContact O-N 3.28Å; L435-K523 HydrophobicContact CD2-CB 4.3Å; L435-K523 HydrophobicContact CD2-CD 3.54Å; L435-A533 HydrophobicContact CD1-CB 4.14Å; L435-Q535 HydrophobicContact CD1-CB 3.88Å; L435-Q535 HydrophobicContact CD2-CB 4.15Å
436	G	98.5	Very high	96.7	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-39.4	176.6	0	0	0	0	0	112.7	H432 G433 A439 L440	H432-G436 PolarHBondContact O-N 3.26Å; G433-G436 PolarHBondContact O-N 3.18Å; G436-A439 PolarHBondContact O-N 3.25Å; G436-L440 WeakPolarHBondContact O-CB 2.96Å; G436-L440 WeakPolarHBondContact O-CG 3.41Å; G436-L440 PolarHBondContact O-N 2.95Å
437	E	98.7	Very high	96.6	Very high	30 Å²	30	35 Å²	35	14%	0.14	17%	0.172	C	C	.	.	H	α-helix	trans	-58.9	-49.3	173.2	-164.5	170.4	104	0	0	110.8	K403 F405 I406 H407 G433 A434 L435 A439 L440 A441	K403-E437 IonicContact NZ-OE1 3.53Å; K403-E437 PolarHBondContact NZ-OE1 3.02Å; F405-E437 HydrophobicContact CD1-CG 3.96Å; F405-E437 HydrophobicContact CE1-CG 3.96Å; I406-E437 WeakPolarHBondContact CA-OE2 3.4Å; H407-E437 HydrophobicContact CB-CB 3.8Å; H407-E437 HydrophobicContact CB-CG 4.22Å; H407-E437 PolarHBondContact N-OE2 3.13Å; G433-E437 WeakPolarHBondContact O-CB 3.44Å; G433-E437 PolarHBondContact O-N 3.37Å; A434-E437 PolarHBondContact O-N 3.42Å; L435-E437 VanDerWaalsContact C-N 3.35Å; E437-A439 VanDerWaalsContact C-N 3.3Å; E437-A439 PolarHBondContact O-N 2.93Å; E437-L440 PolarHBondContact O-N 3.29Å; E437-A441 WeakPolarHBondContact O-CB 3.39Å; E437-A441 PolarHBondContact O-N 3.39Å
438	R	98	Very high	96.4	Very high	55 Å²	55	38.6 Å²	38.6	21%	0.208	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-41.2	-179.1	-168.1	178.5	-58.3	-170.3	9.1	112.3	E214 S215 G216 A434 L435 Q442 A533	E214-R438 IonicContact OE1-CZ 3.64Å; E214-R438 IonicContact OE1-NH1 2.82Å; E214-R438 IonicContact OE1-NH2 3.51Å; E214-R438 PolarHBondContact OE1-NH2 2.81Å; S215-R438 VanDerWaalsContact C-CD 3.42Å; S215-R438 VanDerWaalsContact O-CD 3.27Å; S215-R438 WeakPolarHBondContact O-CD 3.48Å; G216-R438 VanDerWaalsContact CA-CD 3.48Å; G216-R438 VanDerWaalsContact N-CD 3.33Å; A434-R438 WeakPolarHBondContact O-CB 3.38Å; A434-R438 PolarHBondContact O-N 3.46Å; L435-R438 PolarHBondContact O-N 2.94Å; R438-Q442 WeakPolarHBondContact O-CG 3.3Å; R438-Q442 PolarHBondContact O-NE2 3.01Å; R438-A533 HydrophobicContact CG-CB 4.47Å
439	A	98.8	Very high	96.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-45.7	178.3	0	0	0	0	0	112.6	L435 G436 E437 I472 A525 T532 A533	L435-A439 PolarHBondContact O-N 3.28Å; G436-A439 PolarHBondContact O-N 3.25Å; E437-A439 VanDerWaalsContact C-N 3.3Å; E437-A439 PolarHBondContact O-N 2.93Å; A439-I472 HydrophobicContact CB-CD1 3.78Å; A439-I472 HydrophobicContact CB-CG1 4.3Å; A439-I472 HydrophobicContact CB-CG2 4.37Å; A439-A525 HydrophobicContact CB-CB 3.77Å; A439-T532 VanDerWaalsContact O-CB 3.26Å; A439-T532 WeakPolarHBondContact O-CB 3.36Å; A439-T532 PolarHBondContact O-OG1 3.18Å; A439-A533 HydrophobicContact CB-CB 3.66Å
440	L	98.8	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-83.3	-28.2	-174.3	-67.4	172.1	0	0	0	112.5	F405 G436 E437 Q442 I443 I444 L456 I472 T476 L479 V490	F405-L440 HydrophobicContact CE1-CB 3.81Å; F405-L440 HydrophobicContact CZ-CB 3.63Å; F405-L440 HydrophobicContact CZ-CD1 4.34Å; G436-L440 WeakPolarHBondContact O-CB 2.96Å; G436-L440 WeakPolarHBondContact O-CG 3.41Å; G436-L440 PolarHBondContact O-N 2.95Å; E437-L440 PolarHBondContact O-N 3.29Å; L440-Q442 PolarHBondContact O-N 3.27Å; L440-Q442 VanDerWaalsContact O-N 3.07Å; L440-I443 HydrophobicContact CB-CD1 4.41Å; L440-I443 HydrophobicContact CD2-CD1 4.31Å; L440-I443 WeakPolarHBondContact O-CD1 3.2Å; L440-I443 WeakPolarHBondContact O-CG1 3.41Å; L440-I443 PolarHBondContact O-N 2.82Å; L440-I444 WeakPolarHBondContact O-CG1 3.43Å; L440-L456 HydrophobicContact CD1-CD1 3.61Å; L440-I472 HydrophobicContact CD2-CG2 4.12Å; L440-I472 HydrophobicContact CG-CG2 4.34Å; L440-T476 WeakPolarHBondContact CD2-OG1 3.48Å; L440-L479 HydrophobicContact CD2-CD1 4.41Å; L440-V490 HydrophobicContact CD2-CB 4Å; L440-V490 HydrophobicContact CD2-CG1 4.48Å; L440-V490 HydrophobicContact CD2-CG2 4.33Å
441	A	98	Very high	96.1	Very high	41 Å²	41	35.8 Å²	35.8	34%	0.339	19%	0.19	S	C	.	.	H	α-helix	trans	-55.2	-31	179	0	0	0	0	0	112.8	F405 E437 I443 I444	F405-A441 HydrophobicContact CD1-CB 4.01Å; F405-A441 HydrophobicContact CE1-CB 4.29Å; E437-A441 WeakPolarHBondContact O-CB 3.39Å; E437-A441 PolarHBondContact O-N 3.39Å; A441-I443 PolarHBondContact O-N 3.46Å; A441-I444 PolarHBondContact O-N 3.26Å
442	Q	97.6	Very high	96.1	Very high	57 Å²	57	36.2 Å²	36.2	27%	0.266	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.9	-178.5	-50.1	-57.2	-35.2	0	0	113.6	A217 R438 L440 T532	A217-Q442 WeakPolarHBondContact O-CG 3.31Å; R438-Q442 WeakPolarHBondContact O-CG 3.3Å; R438-Q442 PolarHBondContact O-NE2 3.01Å; L440-Q442 PolarHBondContact O-N 3.27Å; L440-Q442 VanDerWaalsContact O-N 3.07Å; Q442-T532 HydrophobicContact CB-CG2 3.93Å; Q442-T532 HydrophobicContact CG-CG2 4.31Å
443	I	98.3	Very high	96.1	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	0.1	-179.1	55	65.9	0	0	0	113.1	L440 A441 L479 I486 K487 A488 V490 T527	L440-I443 HydrophobicContact CB-CD1 4.41Å; L440-I443 HydrophobicContact CD2-CD1 4.31Å; L440-I443 WeakPolarHBondContact O-CD1 3.2Å; L440-I443 WeakPolarHBondContact O-CG1 3.41Å; L440-I443 PolarHBondContact O-N 2.82Å; A441-I443 PolarHBondContact O-N 3.46Å; I443-L479 HydrophobicContact CD1-CD1 3.95Å; I443-I486 HydrophobicContact CB-CB 4.44Å; I443-I486 HydrophobicContact CD1-CB 3.84Å; I443-I486 HydrophobicContact CD1-CD1 4.37Å; I443-I486 HydrophobicContact CD1-CG2 3.64Å; I443-I486 CarbonylContact O-C 3.56Å; I443-I486 VanDerWaalsContact O-CA 3.24Å; I443-I486 WeakPolarHBondContact O-CA 3.04Å; I443-I486 WeakPolarHBondContact O-CB 3.13Å; I443-K487 HydrophobicContact CB-CB 4.35Å; I443-K487 HydrophobicContact CG2-CB 4.43Å; I443-K487 PolarHBondContact O-N 3.29Å; I443-A488 WeakPolarHBondContact CG2-O 3.42Å; I443-V490 HydrophobicContact CB-CG2 4.36Å; I443-V490 HydrophobicContact CG1-CG2 3.62Å; I443-V490 HydrophobicContact CG2-CG2 3.75Å; I443-T527 HydrophobicContact CG2-CG2 3.88Å
444	I	98.3	Very high	96.1	Very high	21 Å²	21	35.8 Å²	35.8	11%	0.108	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-73.4	128.4	179.8	-59.7	-59.9	0	0	0	109.1	F405 L440 A441 I454 L479	F405-I444 HydrophobicContact CB-CG1 4.36Å; F405-I444 HydrophobicContact CD1-CD1 4.5Å; F405-I444 HydrophobicContact CD1-CG1 3.97Å; F405-I444 HydrophobicContact CD2-CD1 3.8Å; F405-I444 HydrophobicContact CD2-CG1 4Å; F405-I444 HydrophobicContact CE1-CD1 4.45Å; F405-I444 HydrophobicContact CE1-CG1 4.23Å; F405-I444 HydrophobicContact CE2-CD1 3.76Å; F405-I444 HydrophobicContact CE2-CG1 4.27Å; F405-I444 HydrophobicContact CG-CD1 4.18Å; F405-I444 HydrophobicContact CG-CG1 3.84Å; F405-I444 HydrophobicContact CZ-CD1 4.09Å; F405-I444 HydrophobicContact CZ-CG1 4.37Å; L440-I444 WeakPolarHBondContact O-CG1 3.43Å; A441-I444 PolarHBondContact O-N 3.26Å; I444-I454 HydrophobicContact CD1-CD1 4.43Å; I444-I454 HydrophobicContact CG2-CD1 3.72Å; I444-L479 HydrophobicContact CD1-CD1 3.95Å; I444-L479 HydrophobicContact CD1-CD2 4.24Å
445	P	97.6	Very high	96.2	Very high	16 Å²	16	39.8 Å²	39.8	10%	0.104	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-62.4	158.2	178.6	27.7	-38.7	0	0	0	112	R404 D449 F450 V484 P485	R404-P445 VanDerWaalsContact CZ-O 3.25Å; R404-P445 PolarHBondContact NH1-O 2.97Å; R404-P445 VanDerWaalsContact NH1-O 3.07Å; R404-P445 PolarHBondContact NH2-O 2.9Å; P445-D449 HydrophobicContact CB-CB 4.23Å; P445-F450 HydrophobicContact CB-CB 3.94Å; P445-F450 HydrophobicContact CG-CB 3.45Å; P445-F450 VanDerWaalsContact CG-CB 3.45Å; P445-F450 HydrophobicContact CG-CD1 4.25Å; P445-F450 HydrophobicContact CG-CG 3.99Å; P445-V484 HydrophobicContact CG-CG1 4Å; P445-P485 HydrophobicContact CB-CG 4.11Å; P445-P485 HydrophobicContact CG-CG 3.93Å
446	S	93.9	Very high	96.2	Very high	46 Å²	46	39.5 Å²	39.5	32%	0.322	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-60.2	165.5	178.3	75.8	0	0	0	0	112.8	E448 D449 F450	S446-E448 VanDerWaalsContact C-N 3.27Å; S446-E448 PolarHBondContact O-N 2.91Å; S446-E448 PolarHBondContact OG-N 3Å; S446-D449 PolarHBondContact O-N 2.96Å; S446-D449 WeakPolarHBondContact OG-CB 3.42Å; S446-D449 PolarHBondContact OG-N 2.76Å; S446-D449 PolarHBondContact OG-OD2 3.45Å; S446-F450 PolarHBondContact O-N 2.69Å
447	E	90.3	Very high	96.2	Very high	107 Å²	107	40.1 Å²	40.1	50%	0.5	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.9	174.1	-68.9	-176.4	-164	0	0	112.3	L388 R404 F450 P451	L388-E447 HydrophobicContact CD2-CG 4.3Å; R404-E447 WeakPolarHBondContact CD-OE1 3.46Å; R404-E447 IonicContact NE-OE1 2.92Å; E447-F450 CarbonylContact O-C 3.6Å; E447-P451 VanDerWaalsContact O-CA 3.23Å; E447-P451 WeakPolarHBondContact O-CA 3.19Å; E447-P451 WeakPolarHBondContact O-CB 3.4Å
448	E	88	Confident	96.2	Very high	186 Å²	186	38.7 Å²	38.7	87%	0.869	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-43.3	175	-62.3	-178.7	177.7	0	0	111.3	S446	S446-E448 VanDerWaalsContact C-N 3.27Å; S446-E448 PolarHBondContact O-N 2.91Å; S446-E448 PolarHBondContact OG-N 3Å
449	D	90.9	Very high	96.2	Very high	119 Å²	119	39.4 Å²	39.4	64%	0.636	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-30.7	-179.3	-62.9	-47.8	0	0	0	112.5	P445 S446	P445-D449 HydrophobicContact CB-CB 4.23Å; S446-D449 PolarHBondContact O-N 2.96Å; S446-D449 WeakPolarHBondContact OG-CB 3.42Å; S446-D449 PolarHBondContact OG-N 2.76Å; S446-D449 PolarHBondContact OG-OD2 3.45Å
450	F	94.3	Very high	96.2	Very high	13 Å²	13	39.4 Å²	39.4	6%	0.057	20%	0.2	C	C	.	.			trans	-150.4	85.6	-176.2	-158.6	-104.9	0	0	0	111.7	L385 P445 S446 E447 Y452 I454 V484 P485 L577	L385-F450 HydrophobicContact CD1-CE1 4.39Å; L385-F450 HydrophobicContact CD1-CZ 3.94Å; L385-F450 HydrophobicContact CD2-CE1 3.95Å; L385-F450 HydrophobicContact CD2-CZ 4.31Å; P445-F450 HydrophobicContact CB-CB 3.94Å; P445-F450 HydrophobicContact CG-CB 3.45Å; P445-F450 VanDerWaalsContact CG-CB 3.45Å; P445-F450 HydrophobicContact CG-CD1 4.25Å; P445-F450 HydrophobicContact CG-CG 3.99Å; S446-F450 PolarHBondContact O-N 2.69Å; E447-F450 CarbonylContact O-C 3.6Å; F450-Y452 AromaticContact CD1-CD2 3.73Å; F450-Y452 HydrophobicContact CD1-CD2 3.73Å; F450-Y452 HydrophobicContact CD1-CG 4.23Å; F450-Y452 HydrophobicContact CD2-CD2 4.13Å; F450-Y452 HydrophobicContact CD2-CE2 4.43Å; F450-Y452 AromaticContact CE1-CD2 3.55Å; F450-Y452 HydrophobicContact CE1-CD2 3.55Å; F450-Y452 HydrophobicContact CE1-CE2 4.43Å; F450-Y452 AromaticContact CE1-CG 3.85Å; F450-Y452 HydrophobicContact CE1-CG 3.85Å; F450-Y452 AromaticContact CE2-CD2 3.97Å; F450-Y452 HydrophobicContact CE2-CD2 3.97Å; F450-Y452 HydrophobicContact CE2-CE2 4.13Å; F450-Y452 HydrophobicContact CG-CD2 4.03Å; F450-Y452 AromaticContact CZ-CD2 3.69Å; F450-Y452 HydrophobicContact CZ-CD2 3.69Å; F450-Y452 HydrophobicContact CZ-CE2 4.13Å; F450-Y452 HydrophobicContact CZ-CG 4.24Å; F450-Y452 PolarHBondContact O-N 2.91Å; F450-I454 HydrophobicContact CD1-CD1 3.98Å; F450-I454 HydrophobicContact CD1-CG1 4.43Å; F450-I454 HydrophobicContact CE1-CD1 4.11Å; F450-I454 HydrophobicContact CE1-CG1 4.21Å; F450-V484 HydrophobicContact CD1-CG1 4.15Å; F450-V484 HydrophobicContact CE1-CB 4.26Å; F450-V484 HydrophobicContact CE1-CG1 3.99Å; F450-V484 HydrophobicContact CE1-CG2 3.82Å; F450-V484 HydrophobicContact CZ-CB 4.33Å; F450-V484 HydrophobicContact CZ-CG1 4.46Å; F450-V484 HydrophobicContact CZ-CG2 3.96Å; F450-P485 HydrophobicContact CB-CG 4.22Å; F450-P485 HydrophobicContact CD2-CG 3.76Å; F450-P485 VanDerWaalsContact CE2-CD 3.5Å; F450-P485 HydrophobicContact CE2-CG 4.41Å; F450-P485 HydrophobicContact CG-CG 4.17Å; F450-L577 HydrophobicContact CE2-CD1 4.46Å; F450-L577 HydrophobicContact CE2-CD2 3.95Å; F450-L577 HydrophobicContact CZ-CD2 3.95Å
451	P	92.2	Very high	96.2	Very high	15 Å²	15	42 Å²	42	10%	0.097	21%	0.213	C	C	.	.			trans	-79.3	58.3	-171	32.8	-38	0	0	0	112.3	L388 E447 I584 M586	L388-P451 HydrophobicContact CD1-CB 3.82Å; L388-P451 HydrophobicContact CG-CB 4.33Å; L388-P451 WeakPolarHBondContact CG-O 3.37Å; E447-P451 VanDerWaalsContact O-CA 3.23Å; E447-P451 WeakPolarHBondContact O-CA 3.19Å; E447-P451 WeakPolarHBondContact O-CB 3.4Å; P451-I584 HydrophobicContact CB-CG2 4.44Å; P451-I584 HydrophobicContact CG-CG2 4.02Å; P451-I584 WeakPolarHBondContact O-CD1 3.5Å; P451-M586 HydrophobicContact CB-CG 3.97Å; P451-M586 HydrophobicContact CB-SD 3.89Å; P451-M586 HydrophobicContact CG-CG 3.78Å; P451-M586 HydrophobicContact CG-SD 4.24Å
452	Y	95.1	Very high	96.2	Very high	13 Å²	13	43.5 Å²	43.5	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.4	178.9	-68.5	-96	0	0	0	111.4	L385 A386 F450 L577 P582 I584	L385-Y452 HydrophobicContact CB-CD1 3.77Å; L385-Y452 HydrophobicContact CB-CE1 4.34Å; L385-Y452 HydrophobicContact CB-CG 4.4Å; A386-Y452 CarbonylContact O-C 3.48Å; A386-Y452 WeakPolarHBondContact O-CA 3.41Å; F450-Y452 AromaticContact CD1-CD2 3.73Å; F450-Y452 HydrophobicContact CD1-CD2 3.73Å; F450-Y452 HydrophobicContact CD1-CG 4.23Å; F450-Y452 HydrophobicContact CD2-CD2 4.13Å; F450-Y452 HydrophobicContact CD2-CE2 4.43Å; F450-Y452 AromaticContact CE1-CD2 3.55Å; F450-Y452 HydrophobicContact CE1-CD2 3.55Å; F450-Y452 HydrophobicContact CE1-CE2 4.43Å; F450-Y452 AromaticContact CE1-CG 3.85Å; F450-Y452 HydrophobicContact CE1-CG 3.85Å; F450-Y452 AromaticContact CE2-CD2 3.97Å; F450-Y452 HydrophobicContact CE2-CD2 3.97Å; F450-Y452 HydrophobicContact CE2-CE2 4.13Å; F450-Y452 HydrophobicContact CG-CD2 4.03Å; F450-Y452 AromaticContact CZ-CD2 3.69Å; F450-Y452 HydrophobicContact CZ-CD2 3.69Å; F450-Y452 HydrophobicContact CZ-CE2 4.13Å; F450-Y452 HydrophobicContact CZ-CG 4.24Å; F450-Y452 PolarHBondContact O-N 2.91Å; Y452-L577 HydrophobicContact CE1-CD1 4.45Å; Y452-L577 HydrophobicContact CE2-CD1 4.07Å; Y452-L577 WeakPolarHBondContact OH-CD1 3.24Å; Y452-P582 HydrophobicContact CE1-CG 4.27Å; Y452-P582 VanDerWaalsContact CE1-O 3.27Å; Y452-P582 WeakPolarHBondContact CE1-O 3.16Å; Y452-P582 PolarHBondContact OH-O 3.14Å; Y452-P582 VanDerWaalsContact OH-O 3.12Å; Y452-I584 HydrophobicContact CD1-CD1 3.34Å; Y452-I584 HydrophobicContact CD1-CG1 4.15Å; Y452-I584 HydrophobicContact CD2-CD1 4.23Å; Y452-I584 HydrophobicContact CE1-CB 4.27Å; Y452-I584 HydrophobicContact CE1-CD1 3.23Å; Y452-I584 HydrophobicContact CE1-CG1 3.5Å; Y452-I584 HydrophobicContact CE2-CB 4.3Å; Y452-I584 HydrophobicContact CE2-CD1 4.12Å; Y452-I584 HydrophobicContact CE2-CG1 4.37Å; Y452-I584 HydrophobicContact CG-CD1 3.86Å; Y452-I584 PolarHBondContact OH-N 3.21Å; Y452-I584 VanDerWaalsContact OH-N 3.16Å
453	T	97	Very high	96.2	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	129	153.3	-58.3	0	0	0	0	108.2	L385 A386 P387 L388 H391 R404	L385-T453 WeakPolarHBondContact CA-O 3.49Å; A386-T453 PolarHBondContact N-O 3.48Å; A386-T453 PolarHBondContact O-N 2.62Å; P387-T453 PolarHBondContact O-OG1 3.05Å; L388-T453 PolarHBondContact O-OG1 3.3Å; H391-T453 PolarHBondContact N-OG1 2.97Å; R404-T453 CarbonylContact O-C 3.57Å; R404-T453 VanDerWaalsContact O-CA 3.3Å; R404-T453 WeakPolarHBondContact O-CA 3.08Å; R404-T453 VanDerWaalsContact O-CG2 3.29Å; R404-T453 WeakPolarHBondContact O-CG2 3.31Å
454	I	98.6	Very high	96.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.8	-175.2	-58.4	162	0	0	0	108.3	L385 R404 F405 I406 I444 F450 L479 V484	L385-I454 HydrophobicContact CD2-CB 4.45Å; L385-I454 HydrophobicContact CD2-CG1 3.88Å; L385-I454 HydrophobicContact CD2-CG2 4.33Å; R404-I454 PolarHBondContact O-N 3.47Å; F405-I454 WeakPolarHBondContact CA-O 3.4Å; F405-I454 HydrophobicContact CD2-CB 3.94Å; F405-I454 HydrophobicContact CD2-CG2 3.81Å; F405-I454 HydrophobicContact CE2-CG2 4.06Å; I406-I454 PolarHBondContact N-O 2.78Å; I444-I454 HydrophobicContact CD1-CD1 4.43Å; I444-I454 HydrophobicContact CG2-CD1 3.72Å; F450-I454 HydrophobicContact CD1-CD1 3.98Å; F450-I454 HydrophobicContact CD1-CG1 4.43Å; F450-I454 HydrophobicContact CE1-CD1 4.11Å; F450-I454 HydrophobicContact CE1-CG1 4.21Å; I454-L479 HydrophobicContact CG2-CD2 3.66Å; I454-V484 HydrophobicContact CD1-CG1 3.94Å
455	R	98.7	Very high	95.8	Very high	102 Å²	102	40.9 Å²	40.9	39%	0.385	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.3	175.5	-178.4	174.9	176.5	-92.6	-4.3	110.5	C383 T384 I406 H408 V457	C383-R455 WeakPolarHBondContact CA-O 3.33Å; T384-R455 PolarHBondContact N-O 2.93Å; T384-R455 PolarHBondContact O-N 2.84Å; I406-R455 HydrophobicContact CB-CG 4.46Å; I406-R455 CarbonylContact O-C 3.57Å; I406-R455 WeakPolarHBondContact O-CA 3.24Å; H408-R455 PolarHBondContact ND1-NE 2.83Å; H408-R455 PolarHBondContact ND1-NH2 3.42Å; R455-V457 HydrophobicContact CG-CG2 4.38Å
456	L	98.8	Very high	95.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.5	166.4	-69.8	176	0	0	0	110.3	A382 C383 F405 I406 H408 L440 A478 L479	A382-L456 WeakPolarHBondContact O-CA 3.33Å; C383-L456 HydrophobicContact CB-CD2 3.67Å; F405-L456 HydrophobicContact CE2-CD1 3.9Å; F405-L456 HydrophobicContact CE2-CG 4.17Å; F405-L456 HydrophobicContact CZ-CD1 3.96Å; I406-L456 PolarHBondContact O-N 2.94Å; H408-L456 PolarHBondContact N-O 2.9Å; L440-L456 HydrophobicContact CD1-CD1 3.61Å; L456-A478 HydrophobicContact CD2-CB 3.97Å; L456-L479 HydrophobicContact CD1-CD1 3.97Å; L456-L479 HydrophobicContact CD1-CD2 4.14Å; L456-L479 HydrophobicContact CD1-CG 3.92Å; L456-L479 HydrophobicContact CD2-CD2 4.14Å; L456-L479 HydrophobicContact CD2-CG 4.16Å; L456-L479 HydrophobicContact CG-CD2 4.22Å; L456-L479 HydrophobicContact CG-CG 4.4Å
457	V	98.8	Very high	95.9	Very high	14 Å²	14	38.7 Å²	38.7	9%	0.085	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	112.5	168.2	-173.3	0	0	0	0	108.2	S381 A382 H408 R455 E459	S381-V457 CarbonylContact C-O 3.6Å; S381-V457 VanDerWaalsContact CA-O 3.29Å; S381-V457 WeakPolarHBondContact CA-O 3.28Å; A382-V457 PolarHBondContact N-O 2.93Å; A382-V457 PolarHBondContact O-N 2.93Å; H408-V457 HydrophobicContact CB-CG1 4.44Å; H408-V457 HydrophobicContact CB-CG2 4.36Å; H408-V457 WeakPolarHBondContact O-CA 3.48Å; R455-V457 HydrophobicContact CG-CG2 4.38Å; V457-E459 WeakPolarHBondContact CG1-OE1 3.42Å
458	A	98.7	Very high	96.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.6	173	0	0	0	0	0	110.6	L380 H408 N410	L380-A458 WeakPolarHBondContact O-CA 3.37Å; H408-A458 PolarHBondContact O-N 2.7Å; N410-A458 PolarHBondContact N-O 2.79Å
459	E	98.4	Very high	96.7	Very high	71 Å²	71	24.9 Å²	24.9	33%	0.332	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.9	169.7	-59.8	-62.5	160.6	0	0	108.7	A379 L380 N410 V457 L461	A379-E459 WeakPolarHBondContact CA-O 3.4Å; L380-E459 PolarHBondContact N-O 2.86Å; L380-E459 PolarHBondContact O-N 2.86Å; N410-E459 WeakPolarHBondContact CB-OE2 2.99Å; N410-E459 PolarHBondContact ND2-OE1 2.58Å; N410-E459 PolarHBondContact ND2-OE2 2.8Å; V457-E459 WeakPolarHBondContact CG1-OE1 3.42Å; E459-L461 HydrophobicContact CB-CD2 4.22Å; E459-L461 PolarHBondContact O-N 3.21Å
460	V	98.5	Very high	97.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.5	172.7	-177.8	0	0	0	0	108.8	Y409 N410 F411 P412 S415 E462	Y409-V460 HydrophobicContact CD2-CG2 4.34Å; Y409-V460 HydrophobicContact CE1-CG2 4.46Å; Y409-V460 HydrophobicContact CE2-CG2 3.52Å; N410-V460 WeakPolarHBondContact O-CG2 3.25Å; N410-V460 PolarHBondContact O-N 2.94Å; F411-V460 HydrophobicContact CD2-CB 3.92Å; F411-V460 HydrophobicContact CD2-CG1 3.91Å; F411-V460 HydrophobicContact CD2-CG2 4.02Å; F411-V460 HydrophobicContact CE2-CB 4.42Å; F411-V460 HydrophobicContact CE2-CG1 3.9Å; P412-V460 VanDerWaalsContact CD-O 3.31Å; P412-V460 WeakPolarHBondContact CD-O 3.36Å; P412-V460 VanDerWaalsContact CG-O 3.32Å; P412-V460 WeakPolarHBondContact CG-O 3.33Å; S415-V460 WeakPolarHBondContact CB-O 3.15Å; V460-E462 WeakPolarHBondContact CG1-O 3.31Å
461	L	98.4	Very high	97.3	Very high	54 Å²	54	18.6 Å²	18.6	28%	0.283	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-31.7	-175.6	-57	-174.3	0	0	0	112.2	L371 Q378 L380 F414 E459	L371-L461 HydrophobicContact CD1-CD1 4.06Å; Q378-L461 HydrophobicContact CB-CB 4.3Å; Q378-L461 HydrophobicContact CG-CB 4.2Å; Q378-L461 HydrophobicContact CG-CD1 4.36Å; Q378-L461 PolarHBondContact O-N 2.87Å; L380-L461 HydrophobicContact CB-CD1 3.81Å; L380-L461 HydrophobicContact CB-CG 4.22Å; L380-L461 HydrophobicContact CD2-CD1 4.42Å; F414-L461 WeakPolarHBondContact CE2-O 3.35Å; F414-L461 HydrophobicContact CZ-CD2 4.34Å; E459-L461 HydrophobicContact CB-CD2 4.22Å; E459-L461 PolarHBondContact O-N 3.21Å
462	E	98.2	Very high	97.7	Very high	72 Å²	72	17.9 Å²	17.9	34%	0.336	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	144.2	175.4	-164.2	-175.3	-175.3	0	0	108.4	Q376 T377 Q378 S415 V460	Q376-E462 WeakPolarHBondContact CB-OE1 3.31Å; Q376-E462 WeakPolarHBondContact O-CG 3.33Å; T377-E462 CarbonylContact C-O 3.6Å; T377-E462 VanDerWaalsContact CA-O 3.32Å; T377-E462 WeakPolarHBondContact CA-O 3.45Å; Q378-E462 HydrophobicContact CB-CB 4Å; Q378-E462 PolarHBondContact N-O 2.82Å; Q378-E462 PolarHBondContact O-N 3.04Å; S415-E462 CarbonylContact O-C 3.48Å; S415-E462 WeakPolarHBondContact O-CA 3.47Å; V460-E462 WeakPolarHBondContact CG1-O 3.31Å
463	S	96.9	Very high	97.8	Very high	12 Å²	12	17.2 Å²	17.2	8%	0.084	9%	0.085	C	C	.	.			trans	-144.9	120.6	-178.8	180	0	0	0	0	113.6	K287 Q376 F411 S415 S467	K287-S463 PolarHBondContact NZ-O 3.42Å; Q376-S463 CarbonylContact O-C 3.57Å; Q376-S463 VanDerWaalsContact O-C 3.27Å; Q376-S463 PolarHBondContact O-N 2.88Å; F411-S463 WeakPolarHBondContact CE2-OG 3.45Å; S415-S463 PolarHBondContact O-N 2.73Å; S463-S467 PolarHBondContact OG-OG 3.06Å
464	N	96.1	Very high	97.9	Very high	4 Å²	4	17 Å²	17	2%	0.021	8%	0.083	C	C	.	.	S	Bend	trans	-139.2	46.3	168	-170.4	12.5	0	0	0	109.8	K287 R354 Q376 T377 Q511 G512	K287-N464 HydrophobicContact CD-CB 3.88Å; R354-N464 PolarHBondContact NH1-O 2.9Å; Q376-N464 HydrophobicContact CB-CB 3.8Å; Q376-N464 WeakPolarHBondContact O-CB 3.27Å; Q376-N464 PolarHBondContact O-N 2.84Å; T377-N464 PolarHBondContact OG1-N 3.46Å; N464-Q511 PolarHBondContact ND2-OE1 2.84Å; N464-Q511 WeakPolarHBondContact O-CA 3.21Å; N464-G512 PolarHBondContact O-N 2.94Å; N464-G512 PolarHBondContact OD1-N 3.25Å
465	G	92.8	Very high	97.9	Very high	9 Å²	9	17 Å²	17	9%	0.093	8%	0.083	C	C	.	.	S	Bend	trans	89.6	156.8	177.3	0	0	0	0	0	115.2	R354 T377 I510	R354-G465 PolarHBondContact NH2-O 2.81Å; T377-G465 WeakPolarHBondContact CB-O 3.2Å; T377-G465 WeakPolarHBondContact CG2-O 3.34Å; T377-G465 PolarHBondContact OG1-O 2.86Å; G465-I510 CarbonylContact C-O 3.41Å; G465-I510 WeakPolarHBondContact CA-O 3.48Å
466	S	95.4	Very high	98	Very high	12 Å²	12	12.1 Å²	12.1	8%	0.084	7%	0.065	C	C	.	.				-59.4	111.4	-85.1	-168.4	0	0	0	0	117.4	R374 S468 Q469 A470	R374-S466 PolarHBondContact NH2-O 2.94Å; S466-S468 VanDerWaalsContact C-N 3.35Å; S466-S468 PolarHBondContact O-N 3.48Å; S466-S468 PolarHBondContact OG-OG 3.3Å; S466-Q469 PolarHBondContact O-N 3.45Å; S466-A470 PolarHBondContact O-N 2.94Å
467	S	97.8	Very high	98	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.028	7%	0.065	C	C	.	.	H	α-helix	trans	-67.9	-28.2	173.3	42.5	0	0	0	0	113.9	Y409 S463 Q469 A470 S471	Y409-S467 WeakPolarHBondContact OH-CB 3.41Å; Y409-S467 PolarHBondContact OH-OG 3.28Å; S463-S467 PolarHBondContact OG-OG 3.06Å; S467-Q469 VanDerWaalsContact C-N 3.3Å; S467-Q469 PolarHBondContact O-N 2.89Å; S467-A470 PolarHBondContact O-N 3.13Å; S467-S471 PolarHBondContact O-N 3.46Å
468	S	97.4	Very high	98	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.007	6%	0.061	C	C	.	.	H	α-helix	trans	-61	-41	171.6	67.6	0	0	0	0	111.6	S466 S471 I472 K523	S466-S468 VanDerWaalsContact C-N 3.35Å; S466-S468 PolarHBondContact O-N 3.48Å; S466-S468 PolarHBondContact OG-OG 3.3Å; S468-S471 WeakPolarHBondContact O-CB 3.45Å; S468-S471 PolarHBondContact O-N 2.93Å; S468-S471 PolarHBondContact O-OG 3.08Å; S468-I472 PolarHBondContact O-N 3.05Å; S468-K523 WeakPolarHBondContact OG-CD 3.31Å
469	Q	98.7	Very high	98	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-73.2	-38.1	178.8	-61.1	-51.6	-66.2	0	0	111.4	S466 S467 S471 I472 C473 A494 K523	S466-Q469 PolarHBondContact O-N 3.45Å; S467-Q469 VanDerWaalsContact C-N 3.3Å; S467-Q469 PolarHBondContact O-N 2.89Å; Q469-S471 PolarHBondContact O-N 2.86Å; Q469-I472 PolarHBondContact O-N 2.77Å; Q469-C473 PolarHBondContact O-N 2.98Å; Q469-C473 PolarHBondContact O-SG 3.04Å; Q469-A494 HydrophobicContact CG-CB 4.25Å; Q469-K523 HydrophobicContact CG-CB 4.43Å; Q469-K523 HydrophobicContact CG-CG 4.34Å
470	A	98.8	Very high	98	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58.6	-37.1	170.1	0	0	0	0	0	112.3	F372 T377 A379 S466 S467 I472 C473 A474	F372-A470 HydrophobicContact CD1-CB 3.88Å; F372-A470 HydrophobicContact CE1-CB 4.36Å; T377-A470 HydrophobicContact CG2-CB 3.94Å; A379-A470 HydrophobicContact CB-CB 3.98Å; S466-A470 PolarHBondContact O-N 2.94Å; S467-A470 PolarHBondContact O-N 3.13Å; A470-I472 VanDerWaalsContact C-N 3.33Å; A470-I472 PolarHBondContact O-N 2.87Å; A470-C473 PolarHBondContact O-N 3.39Å; A470-A474 WeakPolarHBondContact O-CB 3.02Å; A470-A474 PolarHBondContact O-N 3.15Å
471	S	98.8	Very high	98	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.5	-33.4	177.6	78.1	0	0	0	0	113.5	S467 S468 Q469 G475	S467-S471 PolarHBondContact O-N 3.46Å; S468-S471 WeakPolarHBondContact O-CB 3.45Å; S468-S471 PolarHBondContact O-N 2.93Å; S468-S471 PolarHBondContact O-OG 3.08Å; Q469-S471 PolarHBondContact O-N 2.86Å; S471-G475 PolarHBondContact O-N 2.95Å
472	I	98.9	Very high	98	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-65.4	-48.3	174.1	-66.9	169.3	0	0	0	109.7	A439 L440 S468 Q469 A470 G475 T476 V490 A525	A439-I472 HydrophobicContact CB-CD1 3.78Å; A439-I472 HydrophobicContact CB-CG1 4.3Å; A439-I472 HydrophobicContact CB-CG2 4.37Å; L440-I472 HydrophobicContact CD2-CG2 4.12Å; L440-I472 HydrophobicContact CG-CG2 4.34Å; S468-I472 PolarHBondContact O-N 3.05Å; Q469-I472 PolarHBondContact O-N 2.77Å; A470-I472 VanDerWaalsContact C-N 3.33Å; A470-I472 PolarHBondContact O-N 2.87Å; I472-G475 PolarHBondContact O-N 3.06Å; I472-T476 PolarHBondContact O-N 3.19Å; I472-T476 PolarHBondContact O-OG1 3Å; I472-V490 HydrophobicContact CG2-CB 4.3Å; I472-V490 HydrophobicContact CG2-CG1 3.63Å; I472-A525 HydrophobicContact CD1-CB 3.81Å
473	C	98.9	Very high	98	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-60.5	-47	177.2	-61.9	0	0	0	0	112.1	F372 Q469 A470 G475 T476 L477 L566	F372-C473 HydrophobicContact CB-CB 4.03Å; F372-C473 HydrophobicContact CD1-CB 3.68Å; F372-C473 HydrophobicContact CD2-CB 3.58Å; F372-C473 HydrophobicContact CE1-CB 3.93Å; F372-C473 HydrophobicContact CE2-CB 3.85Å; F372-C473 HydrophobicContact CG-CB 3.47Å; F372-C473 VanDerWaalsContact CG-CB 3.47Å; F372-C473 HydrophobicContact CZ-CB 4.01Å; Q469-C473 PolarHBondContact O-N 2.98Å; Q469-C473 PolarHBondContact O-SG 3.04Å; A470-C473 PolarHBondContact O-N 3.39Å; C473-G475 VanDerWaalsContact C-N 3.3Å; C473-G475 PolarHBondContact O-N 3.18Å; C473-T476 WeakPolarHBondContact O-CB 3.41Å; C473-T476 PolarHBondContact O-N 3.41Å; C473-L477 WeakPolarHBondContact O-CG 3.18Å; C473-L477 PolarHBondContact O-N 2.95Å; C473-L477 VanDerWaalsContact O-N 3.09Å; C473-L566 HydrophobicContact CB-CD1 4.27Å; C473-L566 HydrophobicContact CB-CD2 4.15Å
474	A	98.9	Very high	98	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-61.4	-39.2	175.1	0	0	0	0	0	111.9	F372 A379 S381 A470 L477 A478	F372-A474 HydrophobicContact CB-CB 4.01Å; A379-A474 HydrophobicContact CB-CB 4.1Å; A379-A474 WeakPolarHBondContact O-CB 3.38Å; S381-A474 VanDerWaalsContact CB-C 3.47Å; S381-A474 WeakPolarHBondContact CB-O 3.42Å; A470-A474 WeakPolarHBondContact O-CB 3.02Å; A470-A474 PolarHBondContact O-N 3.15Å; A474-L477 PolarHBondContact O-N 2.88Å; A474-A478 WeakPolarHBondContact O-CB 3.44Å; A474-A478 PolarHBondContact O-N 3.5Å
475	G	98.9	Very high	98.1	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.2	-45.6	174.8	0	0	0	0	0	112.7	S471 I472 C473 L477 A478 L479	S471-G475 PolarHBondContact O-N 2.95Å; I472-G475 PolarHBondContact O-N 3.06Å; C473-G475 VanDerWaalsContact C-N 3.3Å; C473-G475 PolarHBondContact O-N 3.18Å; G475-L477 PolarHBondContact O-N 2.89Å; G475-A478 PolarHBondContact O-N 3.44Å; G475-L479 VanDerWaalsContact O-CG 3.31Å; G475-L479 WeakPolarHBondContact O-CG 3.32Å; G475-L479 PolarHBondContact O-N 3.5Å
476	T	98.9	Very high	98.4	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-55	-51	173.1	-65.4	0	0	0	0	111.1	L440 I472 C473 A478 L479 M480 I486 P489 V490 L566	L440-T476 WeakPolarHBondContact CD2-OG1 3.48Å; I472-T476 PolarHBondContact O-N 3.19Å; I472-T476 PolarHBondContact O-OG1 3Å; C473-T476 WeakPolarHBondContact O-CB 3.41Å; C473-T476 PolarHBondContact O-N 3.41Å; T476-A478 VanDerWaalsContact C-N 3.34Å; T476-A478 PolarHBondContact O-N 3.05Å; T476-L479 PolarHBondContact O-N 3.03Å; T476-M480 HydrophobicContact CG2-SD 3.95Å; T476-M480 WeakPolarHBondContact O-CG 3.39Å; T476-M480 PolarHBondContact O-N 2.97Å; T476-I486 HydrophobicContact CG2-CD1 4.26Å; T476-P489 HydrophobicContact CG2-CB 3.63Å; T476-V490 PolarHBondContact OG1-N 3.49Å; T476-V490 PolarHBondContact OG1-O 3.49Å; T476-L566 HydrophobicContact CG2-CD1 4.23Å
477	L	98.9	Very high	98.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.3	-44.8	177.1	-68.8	170	0	0	0	111.7	A358 T360 L371 F372 C473 A474 G475 L479 M480 D481 L566 T569 I570	A358-L477 HydrophobicContact CB-CD1 3.71Å; T360-L477 HydrophobicContact CG2-CB 4.05Å; T360-L477 HydrophobicContact CG2-CD2 4Å; L371-L477 WeakPolarHBondContact O-CD1 3.35Å; F372-L477 HydrophobicContact CB-CD1 4.31Å; C473-L477 WeakPolarHBondContact O-CG 3.18Å; C473-L477 PolarHBondContact O-N 2.95Å; C473-L477 VanDerWaalsContact O-N 3.09Å; A474-L477 PolarHBondContact O-N 2.88Å; G475-L477 PolarHBondContact O-N 2.89Å; L477-L479 PolarHBondContact O-N 3.4Å; L477-M480 PolarHBondContact O-N 3.35Å; L477-D481 VanDerWaalsContact O-CB 3.22Å; L477-D481 WeakPolarHBondContact O-CB 3.3Å; L477-D481 PolarHBondContact O-N 3.49Å; L477-L566 HydrophobicContact CD1-CD2 3.91Å; L477-L566 HydrophobicContact CD2-CB 4.43Å; L477-L566 HydrophobicContact CD2-CD2 3.99Å; L477-L566 HydrophobicContact CG-CD2 3.89Å; L477-T569 HydrophobicContact CD2-CG2 4.14Å; L477-I570 HydrophobicContact CD2-CG2 3.66Å
478	A	98.9	Very high	98.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.1	-34.9	-179.9	0	0	0	0	0	113.3	C383 L456 A474 G475 T476 A482	C383-A478 HydrophobicContact CB-CB 4.06Å; C383-A478 WeakPolarHBondContact CB-O 3.46Å; L456-A478 HydrophobicContact CD2-CB 3.97Å; A474-A478 WeakPolarHBondContact O-CB 3.44Å; A474-A478 PolarHBondContact O-N 3.5Å; G475-A478 PolarHBondContact O-N 3.44Å; T476-A478 VanDerWaalsContact C-N 3.34Å; T476-A478 PolarHBondContact O-N 3.05Å; A478-A482 VanDerWaalsContact O-CB 3.23Å; A478-A482 WeakPolarHBondContact O-CB 3.22Å; A478-A482 PolarHBondContact O-N 2.59Å
479	L	98.9	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.9	-47.1	173.8	-71.1	169.5	0	0	0	111	L440 I443 I444 I454 L456 G475 T476 L477 A482 G483 V484 I486	L440-L479 HydrophobicContact CD2-CD1 4.41Å; I443-L479 HydrophobicContact CD1-CD1 3.95Å; I444-L479 HydrophobicContact CD1-CD1 3.95Å; I444-L479 HydrophobicContact CD1-CD2 4.24Å; I454-L479 HydrophobicContact CG2-CD2 3.66Å; L456-L479 HydrophobicContact CD1-CD1 3.97Å; L456-L479 HydrophobicContact CD1-CD2 4.14Å; L456-L479 HydrophobicContact CD1-CG 3.92Å; L456-L479 HydrophobicContact CD2-CD2 4.14Å; L456-L479 HydrophobicContact CD2-CG 4.16Å; L456-L479 HydrophobicContact CG-CD2 4.22Å; L456-L479 HydrophobicContact CG-CG 4.4Å; G475-L479 VanDerWaalsContact O-CG 3.31Å; G475-L479 WeakPolarHBondContact O-CG 3.32Å; G475-L479 PolarHBondContact O-N 3.5Å; T476-L479 PolarHBondContact O-N 3.03Å; L477-L479 PolarHBondContact O-N 3.4Å; L479-A482 PolarHBondContact O-N 2.72Å; L479-G483 PolarHBondContact O-N 2.92Å; L479-V484 HydrophobicContact CB-CB 4.31Å; L479-V484 HydrophobicContact CD2-CB 4.26Å; L479-V484 HydrophobicContact CD2-CG1 4.39Å; L479-V484 HydrophobicContact CD2-CG2 3.97Å; L479-V484 WeakPolarHBondContact O-CB 3.39Å; L479-V484 PolarHBondContact O-N 2.88Å; L479-I486 HydrophobicContact CB-CG2 3.96Å; L479-I486 HydrophobicContact CD1-CG2 4.02Å; L479-I486 HydrophobicContact CG-CG2 4.47Å
480	M	98.8	Very high	98.6	Very high	3 Å²	3	14 Å²	14	2%	0.015	8%	0.076	C	C	.	.	H	α-helix	trans	-65.1	-42.9	178.7	-65.4	176.1	74.3	0	0	111.4	T476 L477 A482 G483 I486 P489 I570 P573 R574	T476-M480 HydrophobicContact CG2-SD 3.95Å; T476-M480 WeakPolarHBondContact O-CG 3.39Å; T476-M480 PolarHBondContact O-N 2.97Å; L477-M480 PolarHBondContact O-N 3.35Å; M480-A482 VanDerWaalsContact C-N 3.28Å; M480-A482 PolarHBondContact O-N 2.85Å; M480-G483 PolarHBondContact O-N 3.35Å; M480-G483 VanDerWaalsContact O-N 3.07Å; M480-I486 HydrophobicContact CG-CD1 3.56Å; M480-I486 HydrophobicContact CG-CG1 4.12Å; M480-I486 HydrophobicContact SD-CD1 4.15Å; M480-P489 HydrophobicContact SD-CB 4.2Å; M480-I570 HydrophobicContact CB-CD1 3.84Å; M480-I570 HydrophobicContact CB-CG1 4.3Å; M480-I570 HydrophobicContact CB-CG2 4.07Å; M480-I570 HydrophobicContact CE-CG1 4.33Å; M480-I570 HydrophobicContact CE-CG2 4Å; M480-I570 WeakPolarHBondContact CE-O 3.32Å; M480-I570 HydrophobicContact SD-CG2 4.01Å; M480-P573 HydrophobicContact CG-CG 4.24Å; M480-P573 WeakPolarHBondContact O-CA 3.48Å; M480-R574 PolarHBondContact O-N 3.21Å
481	D	98.8	Very high	98.6	Very high	13 Å²	13	14 Å²	14	7%	0.07	8%	0.076	C	C	.	.	H	α-helix	trans	-63.5	-34.2	175.5	-171.5	52.8	0	0	0	112.1	T360 G361 G368 S369 L477 G483 R574	T360-D481 HydrophobicContact CG2-CB 4.23Å; G361-D481 WeakPolarHBondContact CA-OD2 3.36Å; G361-D481 PolarHBondContact N-OD2 2.96Å; G361-D481 VanDerWaalsContact N-OD2 3.12Å; G368-D481 WeakPolarHBondContact CA-OD2 3.16Å; S369-D481 PolarHBondContact N-OD2 2.83Å; L477-D481 VanDerWaalsContact O-CB 3.22Å; L477-D481 WeakPolarHBondContact O-CB 3.3Å; L477-D481 PolarHBondContact O-N 3.49Å; D481-G483 PolarHBondContact O-N 3.43Å; D481-R574 WeakPolarHBondContact O-CD 3.03Å; D481-R574 PolarHBondContact O-NE 2.72Å; D481-R574 IonicContact OD1-CZ 3.79Å; D481-R574 IonicContact OD1-NE 2.63Å; D481-R574 PolarHBondContact OD1-NE 3.01Å; D481-R574 IonicContact OD1-NH2 2.73Å; D481-R574 PolarHBondContact OD1-NH2 3.37Å
482	A	98.3	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-11	174.6	0	0	0	0	0	114.3	H367 C383 A478 L479 M480 V484 L577	H367-A482 WeakPolarHBondContact O-CA 3.49Å; C383-A482 HydrophobicContact CB-CB 3.89Å; A478-A482 VanDerWaalsContact O-CB 3.23Å; A478-A482 WeakPolarHBondContact O-CB 3.22Å; A478-A482 PolarHBondContact O-N 2.59Å; L479-A482 PolarHBondContact O-N 2.72Å; M480-A482 VanDerWaalsContact C-N 3.28Å; M480-A482 PolarHBondContact O-N 2.85Å; A482-V484 HydrophobicContact CB-CG2 4.17Å; A482-L577 WeakPolarHBondContact O-CD2 3.44Å
483	G	97.7	Very high	98.6	Very high	7 Å²	7	14 Å²	14	7%	0.072	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	22	-174.6	0	0	0	0	0	113.9	L479 M480 D481 P485 R574	L479-G483 PolarHBondContact O-N 2.92Å; M480-G483 PolarHBondContact O-N 3.35Å; M480-G483 VanDerWaalsContact O-N 3.07Å; D481-G483 PolarHBondContact O-N 3.43Å; G483-P485 WeakPolarHBondContact O-CD 3.45Å; G483-R574 WeakPolarHBondContact CA-O 3.06Å
484	V	98.4	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.			trans	-69.4	122.3	169.8	-176.4	0	0	0	0	107.7	L385 P445 F450 I454 L479 A482 I486 P573	L385-V484 HydrophobicContact CD2-CG2 3.85Å; P445-V484 HydrophobicContact CG-CG1 4Å; F450-V484 HydrophobicContact CD1-CG1 4.15Å; F450-V484 HydrophobicContact CE1-CB 4.26Å; F450-V484 HydrophobicContact CE1-CG1 3.99Å; F450-V484 HydrophobicContact CE1-CG2 3.82Å; F450-V484 HydrophobicContact CZ-CB 4.33Å; F450-V484 HydrophobicContact CZ-CG1 4.46Å; F450-V484 HydrophobicContact CZ-CG2 3.96Å; I454-V484 HydrophobicContact CD1-CG1 3.94Å; L479-V484 HydrophobicContact CB-CB 4.31Å; L479-V484 HydrophobicContact CD2-CB 4.26Å; L479-V484 HydrophobicContact CD2-CG1 4.39Å; L479-V484 HydrophobicContact CD2-CG2 3.97Å; L479-V484 WeakPolarHBondContact O-CB 3.39Å; L479-V484 PolarHBondContact O-N 2.88Å; A482-V484 HydrophobicContact CB-CG2 4.17Å; V484-I486 HydrophobicContact CB-CG2 4.19Å; V484-I486 HydrophobicContact CG1-CG2 3.79Å; V484-I486 PolarHBondContact O-N 2.65Å; V484-P573 VanDerWaalsContact O-CB 3.32Å; V484-P573 WeakPolarHBondContact O-CB 3.37Å; V484-P573 WeakPolarHBondContact O-CG 3.45Å
485	P	97.6	Very high	98.5	Very high	60 Å²	60	14 Å²	14	39%	0.39	8%	0.076	S	C	.	.			trans	-77.7	65.5	-177.3	32.5	-35.2	0	0	0	110.6	P445 F450 G483	P445-P485 HydrophobicContact CB-CG 4.11Å; P445-P485 HydrophobicContact CG-CG 3.93Å; F450-P485 HydrophobicContact CB-CG 4.22Å; F450-P485 HydrophobicContact CD2-CG 3.76Å; F450-P485 VanDerWaalsContact CE2-CD 3.5Å; F450-P485 HydrophobicContact CE2-CG 4.41Å; F450-P485 HydrophobicContact CG-CG 4.17Å; G483-P485 WeakPolarHBondContact O-CD 3.45Å
486	I	98.6	Very high	98.4	Very high	15 Å²	15	14 Å²	14	8%	0.077	8%	0.077	C	C	.	.			trans	-63	145.2	178.2	63.1	171.8	0	0	0	110.7	I443 T476 L479 M480 V484 A488 P573	I443-I486 HydrophobicContact CB-CB 4.44Å; I443-I486 HydrophobicContact CD1-CB 3.84Å; I443-I486 HydrophobicContact CD1-CD1 4.37Å; I443-I486 HydrophobicContact CD1-CG2 3.64Å; I443-I486 CarbonylContact O-C 3.56Å; I443-I486 VanDerWaalsContact O-CA 3.24Å; I443-I486 WeakPolarHBondContact O-CA 3.04Å; I443-I486 WeakPolarHBondContact O-CB 3.13Å; T476-I486 HydrophobicContact CG2-CD1 4.26Å; L479-I486 HydrophobicContact CB-CG2 3.96Å; L479-I486 HydrophobicContact CD1-CG2 4.02Å; L479-I486 HydrophobicContact CG-CG2 4.47Å; M480-I486 HydrophobicContact CG-CD1 3.56Å; M480-I486 HydrophobicContact CG-CG1 4.12Å; M480-I486 HydrophobicContact SD-CD1 4.15Å; V484-I486 HydrophobicContact CB-CG2 4.19Å; V484-I486 HydrophobicContact CG1-CG2 3.79Å; V484-I486 PolarHBondContact O-N 2.65Å; I486-A488 VanDerWaalsContact C-N 3.32Å; I486-A488 PolarHBondContact O-N 2.87Å; I486-P573 HydrophobicContact CG1-CG 4.21Å
487	K	97.8	Very high	98.3	Very high	151 Å²	151	14.1 Å²	14.1	66%	0.657	8%	0.077	S	C	*	.	S	Bend	trans	-58.4	-43.5	-178.1	-176.2	-177.6	176.6	-167.9	0	112.5	E219 I443	E219-K487 VanDerWaalsContact OE2-CD 3.31Å; E219-K487 WeakPolarHBondContact OE2-CD 3.17Å; E219-K487 WeakPolarHBondContact OE2-CE 3.22Å; E219-K487 IonicContact OE2-NZ 3.62Å; E219-K487 PolarHBondContact OE2-NZ 3.38Å; I443-K487 HydrophobicContact CB-CB 4.35Å; I443-K487 HydrophobicContact CG2-CB 4.43Å; I443-K487 PolarHBondContact O-N 3.29Å
488	A	98.3	Very high	98.2	Very high	12 Å²	12	14.2 Å²	14.2	10%	0.099	8%	0.077	C	C	.	.	S	Bend	trans	-160.7	155.6	179.3	0	0	0	0	0	110.7	I443 I486 T527	I443-A488 WeakPolarHBondContact CG2-O 3.42Å; I486-A488 VanDerWaalsContact C-N 3.32Å; I486-A488 PolarHBondContact O-N 2.87Å; A488-T527 HydrophobicContact CB-CG2 3.81Å
489	P	98.7	Very high	97.9	Very high	32 Å²	32	15.3 Å²	15.3	21%	0.208	9%	0.085	C	C	.	.			trans	-68.5	141.7	172.5	28	-33.7	0	0	0	111.4	T476 M480 T527 L563 T567	T476-P489 HydrophobicContact CG2-CB 3.63Å; M480-P489 HydrophobicContact SD-CB 4.2Å; P489-T527 WeakPolarHBondContact O-CG2 3.38Å; P489-L563 HydrophobicContact CB-CD2 4.15Å; P489-L563 HydrophobicContact CG-CD2 4.2Å; P489-L563 WeakPolarHBondContact O-CD2 3.46Å; P489-T567 HydrophobicContact CG-CG2 3.84Å
490	V	98.9	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.			trans	-112.6	131.4	178	178.6	0	0	0	0	109.6	L440 I443 I472 T476 A525 G526 T527 T532	L440-V490 HydrophobicContact CD2-CB 4Å; L440-V490 HydrophobicContact CD2-CG1 4.48Å; L440-V490 HydrophobicContact CD2-CG2 4.33Å; I443-V490 HydrophobicContact CB-CG2 4.36Å; I443-V490 HydrophobicContact CG1-CG2 3.62Å; I443-V490 HydrophobicContact CG2-CG2 3.75Å; I472-V490 HydrophobicContact CG2-CB 4.3Å; I472-V490 HydrophobicContact CG2-CG1 3.63Å; T476-V490 PolarHBondContact OG1-N 3.49Å; T476-V490 PolarHBondContact OG1-O 3.49Å; V490-A525 HydrophobicContact CG1-CB 4.28Å; V490-G526 WeakPolarHBondContact CA-O 3.5Å; V490-T527 HydrophobicContact CG2-CG2 3.74Å; V490-T532 HydrophobicContact CG2-CG2 4.32Å
491	A	98.9	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.6	170.9	0	0	0	0	0	110.8	A525 G526 I562 L563 L566	A491-A525 CarbonylContact O-C 3.47Å; A491-A525 VanDerWaalsContact O-CA 3.24Å; A491-A525 WeakPolarHBondContact O-CA 3.18Å; A491-G526 PolarHBondContact N-O 2.92Å; A491-G526 PolarHBondContact O-N 3.36Å; A491-I562 HydrophobicContact CB-CB 3.96Å; A491-I562 HydrophobicContact CB-CG2 3.63Å; A491-L563 HydrophobicContact CB-CD2 3.72Å; A491-L563 HydrophobicContact CB-CG 3.66Å; A491-L566 HydrophobicContact CB-CD1 4.36Å
492	G	98.7	Very high	95.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.2	176.4	0	0	0	0	0	112.7	R374	R374-G492 PolarHBondContact NH1-O 3.37Å; R374-G492 VanDerWaalsContact NH1-O 3.11Å
493	I	98.6	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.5	173.8	-168.2	58.4	0	0	0	110.8	M495 T508 D509 K523 V524 A555 A558 R559 I562	I493-M495 HydrophobicContact CG1-SD 3.94Å; I493-M495 HydrophobicContact CG2-SD 4.12Å; I493-T508 HydrophobicContact CG1-CG2 4.46Å; I493-D509 HydrophobicContact CD1-CB 3.81Å; I493-K523 WeakPolarHBondContact O-CA 3.26Å; I493-V524 HydrophobicContact CG2-CB 4.38Å; I493-V524 PolarHBondContact N-O 3.01Å; I493-V524 PolarHBondContact O-N 2.8Å; I493-A555 HydrophobicContact CG2-CB 3.85Å; I493-A558 HydrophobicContact CB-CB 4.5Å; I493-A558 HydrophobicContact CD1-CB 4.39Å; I493-A558 HydrophobicContact CG1-CB 3.85Å; I493-R559 HydrophobicContact CB-CG 4.27Å; I493-R559 HydrophobicContact CG2-CG 3.69Å; I493-I562 HydrophobicContact CB-CD1 4.41Å; I493-I562 HydrophobicContact CD1-CD1 3.96Å
494	A	98.4	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126	171.2	0	0	0	0	0	109.2	Q469 D509 I510 F522 K523	Q469-A494 HydrophobicContact CG-CB 4.25Å; A494-D509 VanDerWaalsContact O-CA 3.31Å; A494-D509 WeakPolarHBondContact O-CA 3.37Å; A494-D509 PolarHBondContact O-N 3.3Å; A494-I510 HydrophobicContact CB-CD1 4.45Å; A494-I510 HydrophobicContact CB-CG1 3.98Å; A494-I510 PolarHBondContact O-N 2.87Å; A494-F522 WeakPolarHBondContact CA-O 3.21Å; A494-K523 HydrophobicContact CB-CG 4.28Å
495	M	98.1	Very high	94.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	156.5	173	-43.1	-56.6	-67.1	0	0	108.7	I493 I506 L507 T508 I510 F522 Q554 A555	I493-M495 HydrophobicContact CG1-SD 3.94Å; I493-M495 HydrophobicContact CG2-SD 4.12Å; M495-I506 HydrophobicContact CE-CG2 4.39Å; M495-L507 CarbonylContact C-O 3.53Å; M495-L507 WeakPolarHBondContact CA-O 3.35Å; M495-T508 HydrophobicContact CE-CG2 4.23Å; M495-T508 VanDerWaalsContact CE-OG1 3.26Å; M495-T508 WeakPolarHBondContact CE-OG1 3.09Å; M495-T508 HydrophobicContact SD-CG2 4.34Å; M495-I510 WeakPolarHBondContact O-CD1 3.34Å; M495-F522 HydrophobicContact CB-CB 4.18Å; M495-F522 HydrophobicContact CB-CD1 4.28Å; M495-F522 HydrophobicContact CG-CD1 4.27Å; M495-F522 PolarHBondContact N-O 3.08Å; M495-F522 PolarHBondContact O-N 3.22Å; M495-Q554 HydrophobicContact CE-CB 3.45Å; M495-Q554 VanDerWaalsContact CE-CB 3.45Å; M495-A555 HydrophobicContact CG-CB 3.74Å; M495-A555 HydrophobicContact SD-CB 3.78Å
496	G	97	Very high	94.4	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	172.7	169.7	0	0	0	0	0	113.5	I506 L507 M520	G496-I506 CarbonylContact O-C 3.55Å; G496-I506 VanDerWaalsContact O-CA 3.32Å; G496-I506 WeakPolarHBondContact O-CA 3.49Å; G496-L507 PolarHBondContact N-O 2.86Å; G496-L507 PolarHBondContact O-N 2.84Å; G496-M520 WeakPolarHBondContact CA-O 3.46Å
497	L	96.6	Very high	94.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137	178.1	-174.7	68.7	0	0	0	108.3	Y504 T505 I506 D519 M520 I540 I543 I547	L497-Y504 HydrophobicContact CD1-CD2 3.68Å; L497-Y504 HydrophobicContact CD1-CG 4.14Å; L497-T505 WeakPolarHBondContact CA-O 3.32Å; L497-I506 HydrophobicContact CD1-CG1 4.03Å; L497-D519 PolarHBondContact O-N 2.65Å; L497-M520 HydrophobicContact CB-CB 3.43Å; L497-M520 VanDerWaalsContact CB-CB 3.43Å; L497-M520 HydrophobicContact CB-CE 3.91Å; L497-M520 HydrophobicContact CB-CG 4.43Å; L497-M520 HydrophobicContact CB-SD 4.27Å; L497-M520 HydrophobicContact CD2-CB 4.45Å; L497-M520 PolarHBondContact N-O 2.87Å; L497-I540 HydrophobicContact CD2-CD1 4.32Å; L497-I543 HydrophobicContact CD2-CG2 3.7Å; L497-I547 HydrophobicContact CD1-CD1 4.42Å; L497-I547 HydrophobicContact CD1-CG2 3.94Å; L497-I547 HydrophobicContact CD2-CD1 4.25Å; L497-I547 HydrophobicContact CD2-CG2 4.16Å
498	V	96.2	Very high	94.3	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.1	159.6	-169.6	0	0	0	0	107.4	R335 I338 T339 Y504 T505 L507	R335-V498 HydrophobicContact CB-CG1 3.96Å; R335-V498 HydrophobicContact CG-CG1 3.77Å; I338-V498 HydrophobicContact CB-CG2 4.37Å; I338-V498 HydrophobicContact CD1-CG2 4.1Å; I338-V498 HydrophobicContact CG2-CB 3.87Å; I338-V498 HydrophobicContact CG2-CG2 3.74Å; T339-V498 HydrophobicContact CG2-CB 3.95Å; T339-V498 HydrophobicContact CG2-CG1 3.57Å; V498-Y504 CarbonylContact O-C 3.55Å; V498-Y504 VanDerWaalsContact O-CA 3.27Å; V498-Y504 WeakPolarHBondContact O-CA 3.44Å; V498-T505 PolarHBondContact N-O 2.82Å; V498-T505 PolarHBondContact O-N 3.43Å; V498-L507 HydrophobicContact CG2-CD1 4.16Å
499	S	92.1	Very high	94.3	Very high	23 Å²	23	28 Å²	28	16%	0.161	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.2	-176.3	61.7	0	0	0	0	111.3	R335 N503 D519	R335-S499 PolarHBondContact NH2-O 2.89Å; S499-N503 CarbonylContact C-O 3.42Å; S499-N503 WeakPolarHBondContact CA-O 3.36Å; S499-D519 WeakPolarHBondContact CA-OD2 3.19Å; S499-D519 WeakPolarHBondContact CB-OD2 3.26Å; S499-D519 PolarHBondContact N-OD2 3.23Å; S499-D519 PolarHBondContact OG-OD2 3.46Å
500	D	86.2	Confident	94.3	Very high	85 Å²	85	26.7 Å²	26.7	46%	0.455	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	98.5	174.7	-179.5	25.2	0	0	0	108.5	T339 E502 N503	T339-D500 HydrophobicContact CG2-CB 4.26Å; D500-E502 PolarHBondContact O-N 2.91Å; D500-N503 PolarHBondContact N-O 3.39Å; D500-N503 WeakPolarHBondContact O-CB 3.32Å; D500-N503 PolarHBondContact O-N 3.47Å
501	G	81	Confident	94.1	Very high	79 Å²	79	26.8 Å²	26.8	81%	0.814	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	-117.8	-170.1	0	0	0	0	0	111.7
502	E	77.3	Confident	93.8	Very high	192 Å²	192	28.1 Å²	28.1	90%	0.897	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-15.7	177.8	-62.3	-173.7	170.5	0	0	113.1	D500	D500-E502 PolarHBondContact O-N 2.91Å
503	N	84.5	Confident	93.6	Very high	95 Å²	95	29.2 Å²	29.2	51%	0.508	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	131.2	178.5	-66.1	-47.8	0	0	0	109.7	S499 D500	S499-N503 CarbonylContact C-O 3.42Å; S499-N503 WeakPolarHBondContact CA-O 3.36Å; D500-N503 PolarHBondContact N-O 3.39Å; D500-N503 WeakPolarHBondContact O-CB 3.32Å; D500-N503 PolarHBondContact O-N 3.47Å
504	Y	92.5	Very high	93.5	Very high	62 Å²	62	29.5 Å²	29.5	24%	0.243	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	161.8	169.3	72.3	-89.7	0	0	0	111.9	K342 L497 V498 I506 Q546 I547 E550	K342-Y504 PolarHBondContact NZ-O 2.91Å; L497-Y504 HydrophobicContact CD1-CD2 3.68Å; L497-Y504 HydrophobicContact CD1-CG 4.14Å; V498-Y504 CarbonylContact O-C 3.55Å; V498-Y504 VanDerWaalsContact O-CA 3.27Å; V498-Y504 WeakPolarHBondContact O-CA 3.44Å; Y504-I506 HydrophobicContact CD2-CG1 4.12Å; Y504-I506 HydrophobicContact CE2-CD1 3.99Å; Y504-I506 HydrophobicContact CE2-CG1 4.03Å; Y504-Q546 PolarHBondContact OH-NE2 3.01Å; Y504-I547 HydrophobicContact CD1-CD1 4.35Å; Y504-I547 HydrophobicContact CD2-CD1 4.4Å; Y504-I547 HydrophobicContact CD2-CG1 4.25Å; Y504-I547 HydrophobicContact CE1-CD1 4.49Å; Y504-I547 HydrophobicContact CE1-CG1 4.24Å; Y504-I547 HydrophobicContact CE2-CG1 3.94Å; Y504-I547 HydrophobicContact CG-CD1 4.31Å; Y504-E550 WeakPolarHBondContact CE2-OE2 3.31Å; Y504-E550 VanDerWaalsContact OH-CD 3.24Å; Y504-E550 PolarHBondContact OH-OE1 2.85Å; Y504-E550 VanDerWaalsContact OH-OE1 3.04Å; Y504-E550 PolarHBondContact OH-OE2 3.01Å
505	T	96.1	Very high	93.3	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	122.7	175.2	-64	0	0	0	0	108.7	I338 K342 L350 L497 V498 L507	I338-T505 HydrophobicContact CG2-CG2 3.79Å; I338-T505 PolarHBondContact O-OG1 2.89Å; K342-T505 PolarHBondContact NZ-OG1 3.48Å; L350-T505 HydrophobicContact CD1-CG2 3.78Å; L350-T505 HydrophobicContact CD2-CG2 3.63Å; L350-T505 HydrophobicContact CG-CG2 4.19Å; L497-T505 WeakPolarHBondContact CA-O 3.32Å; V498-T505 PolarHBondContact N-O 2.82Å; V498-T505 PolarHBondContact O-N 3.43Å; T505-L507 HydrophobicContact CG2-CD2 3.73Å; T505-L507 HydrophobicContact CG2-CG 4.3Å
506	I	97	Very high	93.1	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	136.8	168	-61.8	169.4	0	0	0	108.3	M495 G496 L497 Y504 I547 E550 A551	M495-I506 HydrophobicContact CE-CG2 4.39Å; G496-I506 CarbonylContact O-C 3.55Å; G496-I506 VanDerWaalsContact O-CA 3.32Å; G496-I506 WeakPolarHBondContact O-CA 3.49Å; L497-I506 HydrophobicContact CD1-CG1 4.03Å; Y504-I506 HydrophobicContact CD2-CG1 4.12Å; Y504-I506 HydrophobicContact CE2-CD1 3.99Å; Y504-I506 HydrophobicContact CE2-CG1 4.03Å; I506-I547 HydrophobicContact CD1-CG2 4.23Å; I506-I547 HydrophobicContact CG1-CG2 4.45Å; I506-E550 HydrophobicContact CD1-CB 3.44Å; I506-E550 VanDerWaalsContact CD1-CB 3.44Å; I506-A551 HydrophobicContact CD1-CB 4.3Å; I506-A551 HydrophobicContact CG2-CB 4.26Å
507	L	97.8	Very high	93	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.7	-177.7	-61	175.4	0	0	0	110.6	I338 R344 L350 M495 G496 V498 T505 I510 E514	I338-L507 HydrophobicContact CD1-CD1 4.3Å; I338-L507 HydrophobicContact CG2-CD1 4.16Å; I338-L507 HydrophobicContact CG2-CD2 4.07Å; I338-L507 HydrophobicContact CG2-CG 4.41Å; R344-L507 HydrophobicContact CG-CD2 4.21Å; L350-L507 HydrophobicContact CB-CD2 4.43Å; L350-L507 HydrophobicContact CD2-CD2 3.71Å; L350-L507 WeakPolarHBondContact O-CA 3.3Å; M495-L507 CarbonylContact C-O 3.53Å; M495-L507 WeakPolarHBondContact CA-O 3.35Å; G496-L507 PolarHBondContact N-O 2.86Å; G496-L507 PolarHBondContact O-N 2.84Å; V498-L507 HydrophobicContact CG2-CD1 4.16Å; T505-L507 HydrophobicContact CG2-CD2 3.73Å; T505-L507 HydrophobicContact CG2-CG 4.3Å; L507-I510 HydrophobicContact CB-CG2 3.6Å; L507-I510 HydrophobicContact CD1-CG2 4.14Å; L507-E514 HydrophobicContact CD1-CB 4.13Å; L507-E514 HydrophobicContact CD1-CG 4.25Å
508	T	98.4	Very high	92.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	138.6	168.6	-59	0	0	0	0	110.3	R344 L350 D351 I353 I493 M495 A558	R344-T508 PolarHBondContact NH1-O 2.85Å; R344-T508 PolarHBondContact NH2-O 2.97Å; R344-T508 VanDerWaalsContact NH2-O 3.16Å; L350-T508 PolarHBondContact O-N 2.72Å; D351-T508 WeakPolarHBondContact O-CB 3.21Å; I353-T508 HydrophobicContact CG1-CG2 4.03Å; I493-T508 HydrophobicContact CG1-CG2 4.46Å; M495-T508 HydrophobicContact CE-CG2 4.23Å; M495-T508 VanDerWaalsContact CE-OG1 3.26Å; M495-T508 WeakPolarHBondContact CE-OG1 3.09Å; M495-T508 HydrophobicContact SD-CG2 4.34Å; T508-A558 HydrophobicContact CG2-CB 3.49Å; T508-A558 VanDerWaalsContact CG2-CB 3.49Å
509	D	98.1	Very high	92.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	53.8	65.8	178.4	-176	28.9	0	0	0	112.5	R344 R348 I353 R354 R374 I493 A494	R344-D509 PolarHBondContact NH2-O 3.29Å; R348-D509 PolarHBondContact NH1-O 2.98Å; R348-D509 IonicContact NH1-OD2 2.75Å; R348-D509 PolarHBondContact NH1-OD2 3.41Å; R348-D509 PolarHBondContact NH2-O 3.01Å; I353-D509 HydrophobicContact CG2-CB 4.17Å; R354-D509 WeakPolarHBondContact CB-OD2 3.17Å; R354-D509 WeakPolarHBondContact CG-OD2 3.05Å; R354-D509 IonicContact CZ-OD1 3.66Å; R354-D509 IonicContact CZ-OD2 2.9Å; R354-D509 PolarHBondContact N-OD2 3.44Å; R354-D509 IonicContact NE-OD1 3.67Å; R354-D509 PolarHBondContact NE-OD1 3.31Å; R354-D509 IonicContact NE-OD2 3.74Å; R354-D509 PolarHBondContact NE-OD2 3.19Å; R354-D509 IonicContact NH2-OD1 3.74Å; R354-D509 PolarHBondContact NH2-OD1 3.47Å; R354-D509 IonicContact NH2-OD2 2.78Å; R374-D509 WeakPolarHBondContact CD-OD1 3.31Å; R374-D509 WeakPolarHBondContact CD-OD2 3.5Å; R374-D509 IonicContact CZ-OD1 2.93Å; R374-D509 VanDerWaalsContact CZ-OD1 3.29Å; R374-D509 IonicContact NE-OD1 3.61Å; R374-D509 PolarHBondContact NE-OD1 2.82Å; R374-D509 IonicContact NE-OD2 3.63Å; R374-D509 IonicContact NH2-OD1 3.67Å; R374-D509 PolarHBondContact NH2-OD1 3.19Å; I493-D509 HydrophobicContact CD1-CB 3.81Å; A494-D509 VanDerWaalsContact O-CA 3.31Å; A494-D509 WeakPolarHBondContact O-CA 3.37Å; A494-D509 PolarHBondContact O-N 3.3Å
510	I	97	Very high	93	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.015	21%	0.213	C	C	.	.			trans	-65.5	141.1	179.8	55.4	173.7	0	0	0	113.1	G465 A494 M495 L507 E514 D515 D521	G465-I510 CarbonylContact C-O 3.41Å; G465-I510 WeakPolarHBondContact CA-O 3.48Å; A494-I510 HydrophobicContact CB-CD1 4.45Å; A494-I510 HydrophobicContact CB-CG1 3.98Å; A494-I510 PolarHBondContact O-N 2.87Å; M495-I510 WeakPolarHBondContact O-CD1 3.34Å; L507-I510 HydrophobicContact CB-CG2 3.6Å; L507-I510 HydrophobicContact CD1-CG2 4.14Å; I510-E514 WeakPolarHBondContact CA-OE2 3.12Å; I510-E514 HydrophobicContact CB-CB 4.27Å; I510-E514 HydrophobicContact CG2-CB 4.38Å; I510-D515 HydrophobicContact CD1-CB 3.98Å; I510-D521 HydrophobicContact CD1-CB 4.36Å
511	Q	95.1	Very high	93.4	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.014	20%	0.197	C	C	.	.			trans	-85.8	169.8	171.8	-77.2	168.6	85.6	0	0	112.9	D346 N464 L513 E514 D515	D346-Q511 PolarHBondContact OD1-NE2 3.45Å; D346-Q511 PolarHBondContact OD2-NE2 2.84Å; N464-Q511 PolarHBondContact ND2-OE1 2.84Å; N464-Q511 WeakPolarHBondContact O-CA 3.21Å; Q511-L513 VanDerWaalsContact C-N 3.3Å; Q511-L513 PolarHBondContact O-N 2.94Å; Q511-E514 HydrophobicContact CB-CG 4.43Å; Q511-E514 PolarHBondContact N-OE2 3.31Å; Q511-E514 PolarHBondContact O-N 3.46Å; Q511-D515 WeakPolarHBondContact O-CB 3.41Å; Q511-D515 PolarHBondContact O-N 3.39Å
512	G	93.5	Very high	94.2	Very high	28 Å²	28	31 Å²	31	29%	0.289	16%	0.158	S	C	.	.	H	α-helix	trans	-56.9	-41.5	177.6	0	0	0	0	0	113.4	N464 H516	N464-G512 PolarHBondContact O-N 2.94Å; N464-G512 PolarHBondContact OD1-N 3.25Å; G512-H516 WeakPolarHBondContact O-CB 3.3Å; G512-H516 PolarHBondContact O-N 2.8Å
513	L	94.5	Very high	95.2	Very high	23 Å²	23	22 Å²	22	12%	0.12	12%	0.116	C	C	.	.	H	α-helix	trans	-65.4	-44.8	177.7	-177.2	65.2	0	0	0	112.3	E330 V334 P345 Q511 H516 L517	E330-L513 VanDerWaalsContact OE1-CD1 3.3Å; E330-L513 WeakPolarHBondContact OE1-CD1 3.41Å; V334-L513 HydrophobicContact CG2-CD2 4.07Å; V334-L513 HydrophobicContact CG2-CG 4.4Å; P345-L513 HydrophobicContact CB-CD2 4.06Å; P345-L513 HydrophobicContact CG-CD2 3.93Å; Q511-L513 VanDerWaalsContact C-N 3.3Å; Q511-L513 PolarHBondContact O-N 2.94Å; L513-H516 PolarHBondContact O-N 3.19Å; L513-L517 HydrophobicContact CD1-CD1 3.45Å; L513-L517 VanDerWaalsContact CD1-CD1 3.45Å; L513-L517 HydrophobicContact CD1-CG 4.19Å; L513-L517 HydrophobicContact CG-CD1 4.1Å; L513-L517 WeakPolarHBondContact O-CB 3.46Å; L513-L517 PolarHBondContact O-N 3.49Å
514	E	95.8	Very high	95.9	Very high	5 Å²	5	17.5 Å²	17.5	2%	0.023	9%	0.092	C	C	.	.	H	α-helix	trans	-68.8	-38.7	-179.3	-62.7	166.5	153.7	0	0	111.4	I338 R344 L507 I510 Q511 G518	I338-E514 HydrophobicContact CD1-CG 4.23Å; R344-E514 IonicContact CZ-OE1 3.03Å; R344-E514 IonicContact CZ-OE2 2.84Å; R344-E514 IonicContact NE-OE1 3.6Å; R344-E514 PolarHBondContact NE-OE1 3.28Å; R344-E514 IonicContact NE-OE2 3.39Å; R344-E514 IonicContact NH2-OE1 2.77Å; R344-E514 PolarHBondContact NH2-OE1 2.75Å; R344-E514 IonicContact NH2-OE2 2.61Å; R344-E514 PolarHBondContact NH2-OE2 2.76Å; L507-E514 HydrophobicContact CD1-CB 4.13Å; L507-E514 HydrophobicContact CD1-CG 4.25Å; I510-E514 WeakPolarHBondContact CA-OE2 3.12Å; I510-E514 HydrophobicContact CB-CB 4.27Å; I510-E514 HydrophobicContact CG2-CB 4.38Å; Q511-E514 HydrophobicContact CB-CG 4.43Å; Q511-E514 PolarHBondContact N-OE2 3.31Å; Q511-E514 PolarHBondContact O-N 3.46Å; E514-G518 WeakPolarHBondContact O-CA 3.44Å; E514-G518 PolarHBondContact O-N 2.74Å
515	D	95.1	Very high	96.2	Very high	41 Å²	41	14.7 Å²	14.7	22%	0.219	8%	0.081	C	C	.	.	H	α-helix	trans	-61.5	-50.8	169.2	175.3	28	0	0	0	110.2	I510 Q511 L517 K539	I510-D515 HydrophobicContact CD1-CB 3.98Å; Q511-D515 WeakPolarHBondContact O-CB 3.41Å; Q511-D515 PolarHBondContact O-N 3.39Å; D515-L517 PolarHBondContact O-N 3.16Å; D515-K539 PolarHBondContact O-NZ 2.87Å
516	H	93.2	Very high	96.3	Very high	133 Å²	133	14.4 Å²	14.4	62%	0.616	8%	0.079	S	C	*	.	H	α-helix	trans	-62.4	-40.4	-175.1	-174.4	62.6	0	0	0	113.5	G512 L513 K539	G512-H516 WeakPolarHBondContact O-CB 3.3Å; G512-H516 PolarHBondContact O-N 2.8Å; L513-H516 PolarHBondContact O-N 3.19Å; H516-K539 VanDerWaalsContact C-NZ 3.26Å; H516-K539 PolarHBondContact O-NZ 3.5Å
517	L	94.4	Very high	96.4	Very high	15 Å²	15	14.1 Å²	14.1	8%	0.079	8%	0.078	C	C	.	.	H	α-helix	trans	-102	-8.4	-175.8	-59	175.3	0	0	0	113.9	E330 K331 V334 R335 L513 D515	E330-L517 HydrophobicContact CG-CD1 4.13Å; K331-L517 HydrophobicContact CB-CD2 4Å; K331-L517 HydrophobicContact CG-CD2 4.14Å; V334-L517 HydrophobicContact CB-CD1 3.86Å; V334-L517 HydrophobicContact CG1-CB 4.45Å; V334-L517 HydrophobicContact CG1-CD1 4.02Å; V334-L517 HydrophobicContact CG2-CD1 3.74Å; R335-L517 PolarHBondContact NH1-O 3.24Å; L513-L517 HydrophobicContact CD1-CD1 3.45Å; L513-L517 VanDerWaalsContact CD1-CD1 3.45Å; L513-L517 HydrophobicContact CD1-CG 4.19Å; L513-L517 HydrophobicContact CG-CD1 4.1Å; L513-L517 WeakPolarHBondContact O-CB 3.46Å; L513-L517 PolarHBondContact O-N 3.49Å; D515-L517 PolarHBondContact O-N 3.16Å
518	G	94.8	Very high	96.4	Very high	3 Å²	3	21 Å²	21	3%	0.031	11%	0.108	C	C	.	.	S	Bend	trans	-83	172.6	175.4	0	0	0	0	0	113.5	E514 K539	E514-G518 WeakPolarHBondContact O-CA 3.44Å; E514-G518 PolarHBondContact O-N 2.74Å; G518-K539 WeakPolarHBondContact O-CD 3.38Å; G518-K539 PolarHBondContact O-NZ 3.34Å
519	D	95.3	Very high	96.4	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.053	13%	0.133	C	C	.	.	S	Bend	trans	-99.1	-15.9	-170.9	-59.8	-38.4	0	0	0	113.4	R335 L497 S499 I538 K539 I540	R335-D519 IonicContact CZ-OD1 3.65Å; R335-D519 IonicContact CZ-OD2 2.82Å; R335-D519 IonicContact NH1-OD1 3.97Å; R335-D519 PolarHBondContact NH1-OD1 3.06Å; R335-D519 IonicContact NH1-OD2 2.87Å; R335-D519 PolarHBondContact NH1-OD2 3.27Å; R335-D519 IonicContact NH2-OD1 2.74Å; R335-D519 PolarHBondContact NH2-OD1 3.47Å; R335-D519 IonicContact NH2-OD2 3.88Å; R335-D519 PolarHBondContact NH2-OD2 2.84Å; L497-D519 PolarHBondContact O-N 2.65Å; S499-D519 WeakPolarHBondContact CA-OD2 3.19Å; S499-D519 WeakPolarHBondContact CB-OD2 3.26Å; S499-D519 PolarHBondContact N-OD2 3.23Å; S499-D519 PolarHBondContact OG-OD2 3.46Å; D519-I538 CarbonylContact O-C 3.51Å; D519-I538 WeakPolarHBondContact O-CA 3.29Å; D519-I538 WeakPolarHBondContact O-CG2 3.45Å; D519-K539 PolarHBondContact O-N 2.85Å; D519-I540 HydrophobicContact CB-CD1 4.17Å; D519-I540 HydrophobicContact CB-CG1 4.2Å; D519-I540 HydrophobicContact CB-CG2 3.87Å
520	M	95.1	Very high	96.4	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.015	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	138.1	-177.6	-175.2	-178.7	76.5	0	0	111.3	G496 L497 F522 M536 D537 I538 I543 A551	G496-M520 WeakPolarHBondContact CA-O 3.46Å; L497-M520 HydrophobicContact CB-CB 3.43Å; L497-M520 VanDerWaalsContact CB-CB 3.43Å; L497-M520 HydrophobicContact CB-CE 3.91Å; L497-M520 HydrophobicContact CB-CG 4.43Å; L497-M520 HydrophobicContact CB-SD 4.27Å; L497-M520 HydrophobicContact CD2-CB 4.45Å; L497-M520 PolarHBondContact N-O 2.87Å; M520-F522 HydrophobicContact CE-CB 3.75Å; M520-F522 HydrophobicContact CE-CD1 4.43Å; M520-F522 HydrophobicContact CE-CG 4.46Å; M520-F522 HydrophobicContact CG-CB 3.99Å; M520-F522 HydrophobicContact SD-CB 3.99Å; M520-M536 HydrophobicContact CG-CG 3.95Å; M520-M536 HydrophobicContact CG-SD 4.18Å; M520-M536 HydrophobicContact SD-CG 4.24Å; M520-M536 HydrophobicContact SD-SD 3.72Å; M520-D537 CarbonylContact C-O 3.54Å; M520-D537 VanDerWaalsContact CA-O 3.31Å; M520-D537 WeakPolarHBondContact CA-O 3.44Å; M520-I538 HydrophobicContact CB-CG1 4.42Å; M520-I538 HydrophobicContact CG-CG1 4.07Å; M520-I543 HydrophobicContact SD-CD1 3.59Å; M520-I543 VanDerWaalsContact SD-CD1 3.59Å; M520-I543 HydrophobicContact SD-CG2 4.38Å; M520-A551 HydrophobicContact CE-CB 4.2Å
521	D	95.4	Very high	96.5	Very high	19 Å²	19	25.7 Å²	25.7	10%	0.102	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	102.7	164.3	172	15.2	0	0	0	107.8	I510 K523 M536 D537	I510-D521 HydrophobicContact CD1-CB 4.36Å; D521-K523 WeakPolarHBondContact OD1-CE 3.23Å; D521-K523 WeakPolarHBondContact OD1-CG 3.34Å; D521-K523 IonicContact OD1-NZ 3.7Å; D521-K523 WeakPolarHBondContact OD2-CE 3.5Å; D521-K523 IonicContact OD2-NZ 2.7Å; D521-K523 PolarHBondContact OD2-NZ 3.29Å; D521-M536 WeakPolarHBondContact O-CA 3.23Å; D521-D537 HydrophobicContact CB-CB 4.46Å; D521-D537 PolarHBondContact N-O 2.91Å; D521-D537 PolarHBondContact O-N 2.88Å
522	F	97.2	Very high	96.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	102.2	-174.3	-177.4	-140.4	0	0	0	111.7	A494 M495 M520 V524 L534 M536 L548 A551 L552	A494-F522 WeakPolarHBondContact CA-O 3.21Å; M495-F522 HydrophobicContact CB-CB 4.18Å; M495-F522 HydrophobicContact CB-CD1 4.28Å; M495-F522 HydrophobicContact CG-CD1 4.27Å; M495-F522 PolarHBondContact N-O 3.08Å; M495-F522 PolarHBondContact O-N 3.22Å; M520-F522 HydrophobicContact CE-CB 3.75Å; M520-F522 HydrophobicContact CE-CD1 4.43Å; M520-F522 HydrophobicContact CE-CG 4.46Å; M520-F522 HydrophobicContact CG-CB 3.99Å; M520-F522 HydrophobicContact SD-CB 3.99Å; F522-V524 HydrophobicContact CD1-CG2 4.17Å; F522-V524 HydrophobicContact CD2-CG2 4.43Å; F522-V524 HydrophobicContact CE1-CG2 3.88Å; F522-V524 HydrophobicContact CE2-CG2 4.18Å; F522-V524 HydrophobicContact CG-CG2 4.47Å; F522-V524 HydrophobicContact CZ-CG2 3.91Å; F522-L534 HydrophobicContact CE2-CD1 3.76Å; F522-L534 HydrophobicContact CE2-CD2 3.65Å; F522-L534 HydrophobicContact CE2-CG 3.55Å; F522-L534 HydrophobicContact CZ-CD1 3.73Å; F522-L534 HydrophobicContact CZ-CD2 4.4Å; F522-L534 HydrophobicContact CZ-CG 4.06Å; F522-M536 HydrophobicContact CB-CG 3.98Å; F522-M536 HydrophobicContact CB-SD 4.45Å; F522-M536 HydrophobicContact CD2-CB 3.53Å; F522-M536 HydrophobicContact CD2-CG 3.62Å; F522-M536 HydrophobicContact CD2-SD 3.89Å; F522-M536 HydrophobicContact CE2-CB 4.04Å; F522-M536 HydrophobicContact CE2-CG 4.36Å; F522-M536 HydrophobicContact CE2-SD 4.23Å; F522-M536 HydrophobicContact CG-CB 4.45Å; F522-M536 HydrophobicContact CG-CG 4.08Å; F522-M536 HydrophobicContact CG-SD 4.2Å; F522-L548 HydrophobicContact CZ-CD2 4.49Å; F522-A551 HydrophobicContact CD1-CB 3.67Å; F522-A551 HydrophobicContact CE1-CB 3.85Å; F522-L552 HydrophobicContact CE1-CD2 3.96Å; F522-L552 HydrophobicContact CE1-CG 3.97Å; F522-L552 HydrophobicContact CZ-CD2 3.64Å; F522-L552 HydrophobicContact CZ-CG 3.93Å
523	K	98.3	Very high	96.9	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.017	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130	-176.9	-58.4	179.2	-168.9	91.4	0	110.5	L435 S468 Q469 I493 A494 D521 L534 Q535	L435-K523 HydrophobicContact CD2-CB 4.3Å; L435-K523 HydrophobicContact CD2-CD 3.54Å; S468-K523 WeakPolarHBondContact OG-CD 3.31Å; Q469-K523 HydrophobicContact CG-CB 4.43Å; Q469-K523 HydrophobicContact CG-CG 4.34Å; I493-K523 WeakPolarHBondContact O-CA 3.26Å; A494-K523 HydrophobicContact CB-CG 4.28Å; D521-K523 WeakPolarHBondContact OD1-CE 3.23Å; D521-K523 WeakPolarHBondContact OD1-CG 3.34Å; D521-K523 IonicContact OD1-NZ 3.7Å; D521-K523 WeakPolarHBondContact OD2-CE 3.5Å; D521-K523 IonicContact OD2-NZ 2.7Å; D521-K523 PolarHBondContact OD2-NZ 3.29Å; K523-L534 CarbonylContact O-C 3.56Å; K523-L534 WeakPolarHBondContact O-CA 3.39Å; K523-Q535 HydrophobicContact CB-CB 4.39Å; K523-Q535 PolarHBondContact N-O 2.98Å; K523-Q535 PolarHBondContact O-N 2.65Å
524	V	98.7	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.7	177.8	-169.6	0	0	0	0	108.6	I493 F522 I531 L552 A555 R559	I493-V524 HydrophobicContact CG2-CB 4.38Å; I493-V524 PolarHBondContact N-O 3.01Å; I493-V524 PolarHBondContact O-N 2.8Å; F522-V524 HydrophobicContact CD1-CG2 4.17Å; F522-V524 HydrophobicContact CD2-CG2 4.43Å; F522-V524 HydrophobicContact CE1-CG2 3.88Å; F522-V524 HydrophobicContact CE2-CG2 4.18Å; F522-V524 HydrophobicContact CG-CG2 4.47Å; F522-V524 HydrophobicContact CZ-CG2 3.91Å; V524-I531 HydrophobicContact CG1-CD1 4.3Å; V524-I531 HydrophobicContact CG1-CG1 4.1Å; V524-L552 HydrophobicContact CG2-CD2 4.44Å; V524-A555 HydrophobicContact CB-CB 3.92Å; V524-A555 HydrophobicContact CG1-CB 4.38Å; V524-A555 HydrophobicContact CG2-CB 3.72Å; V524-R559 WeakPolarHBondContact O-CD 3.38Å
525	A	98.9	Very high	97.2	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.017	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	144.8	175.1	0	0	0	0	0	110.5	A439 I472 V490 A491 T532 A533 R559	A439-A525 HydrophobicContact CB-CB 3.77Å; I472-A525 HydrophobicContact CD1-CB 3.81Å; V490-A525 HydrophobicContact CG1-CB 4.28Å; A491-A525 CarbonylContact O-C 3.47Å; A491-A525 VanDerWaalsContact O-CA 3.24Å; A491-A525 WeakPolarHBondContact O-CA 3.18Å; A525-T532 PolarHBondContact O-N 2.96Å; A525-T532 PolarHBondContact O-OG1 2.95Å; A525-A533 HydrophobicContact CB-CB 4.39Å; A525-A533 PolarHBondContact N-O 2.75Å; A525-A533 PolarHBondContact O-N 3.42Å; A525-A533 VanDerWaalsContact O-O 3.13Å; A525-R559 PolarHBondContact O-NH1 2.83Å; A525-R559 VanDerWaalsContact O-NH1 3.07Å
526	G	98.8	Very high	97.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.9	-175.7	172.5	0	0	0	0	0	114.3	V490 A491 G530 T532 R559	V490-G526 WeakPolarHBondContact CA-O 3.5Å; A491-G526 PolarHBondContact N-O 2.92Å; A491-G526 PolarHBondContact O-N 3.36Å; G526-G530 CarbonylContact C-O 3.52Å; G526-G530 VanDerWaalsContact CA-O 3.24Å; G526-G530 WeakPolarHBondContact CA-O 3.47Å; G526-T532 WeakPolarHBondContact CA-OG1 3.43Å; G526-R559 VanDerWaalsContact N-NH1 3.14Å
527	T	98.8	Very high	97	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	8%	0.083	C	C	.	.			trans	-96.9	-174.7	-179	72.2	0	0	0	0	109.4	E219 I443 A488 P489 V490 D529 G530 T532	E219-T527 HydrophobicContact CG-CG2 4.03Å; E219-T527 VanDerWaalsContact OE1-CB 3.24Å; E219-T527 WeakPolarHBondContact OE1-CB 3.41Å; E219-T527 WeakPolarHBondContact OE1-CG2 3.38Å; E219-T527 PolarHBondContact OE1-OG1 2.96Å; I443-T527 HydrophobicContact CG2-CG2 3.88Å; A488-T527 HydrophobicContact CB-CG2 3.81Å; P489-T527 WeakPolarHBondContact O-CG2 3.38Å; V490-T527 HydrophobicContact CG2-CG2 3.74Å; T527-D529 PolarHBondContact O-N 2.99Å; T527-D529 PolarHBondContact OG1-N 3.35Å; T527-D529 VanDerWaalsContact OG1-N 3.09Å; T527-G530 PolarHBondContact N-O 3.2Å; T527-G530 PolarHBondContact OG1-N 3.02Å; T527-T532 HydrophobicContact CG2-CG2 4.08Å
528	K	98.1	Very high	96.8	Very high	145 Å²	145	16.1 Å²	16.1	63%	0.63	8%	0.081	S	C	*	.	S	Bend	trans	-62.2	-25.9	170.1	69.1	177.3	-173	179	0	113	M560 L563	K528-M560 HydrophobicContact CB-SD 4.44Å; K528-L563 HydrophobicContact CB-CD1 4.43Å
529	D	97.8	Very high	96.4	Very high	103 Å²	103	20.9 Å²	20.9	55%	0.551	10%	0.1	S	C	*	.	S	Bend	trans	-91.8	-25.5	-171.2	-64.3	-41.3	0	0	0	111.5	T527	T527-D529 PolarHBondContact O-N 2.99Å; T527-D529 PolarHBondContact OG1-N 3.35Å; T527-D529 VanDerWaalsContact OG1-N 3.09Å
530	G	98.3	Very high	96	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.021	11%	0.11	C	C	.	.			trans	173.9	-174.2	174.3	0	0	0	0	0	115.8	V220 G526 T527	V220-G530 CarbonylContact O-C 3.59Å; V220-G530 WeakPolarHBondContact O-CA 3.44Å; G526-G530 CarbonylContact C-O 3.52Å; G526-G530 VanDerWaalsContact CA-O 3.24Å; G526-G530 WeakPolarHBondContact CA-O 3.47Å; T527-G530 PolarHBondContact N-O 3.2Å; T527-G530 PolarHBondContact OG1-N 3.02Å
531	I	98.8	Very high	95.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.8	176.3	-62.7	172	0	0	0	110.1	E219 V220 E222 M225 V524 L534 L552	E219-I531 VanDerWaalsContact CA-O 3.23Å; E219-I531 WeakPolarHBondContact CA-O 3.48Å; E219-I531 PolarHBondContact N-O 2.93Å; V220-I531 PolarHBondContact N-O 3.43Å; V220-I531 PolarHBondContact O-N 3.48Å; E222-I531 HydrophobicContact CG-CD1 4.15Å; M225-I531 HydrophobicContact CB-CD1 3.89Å; M225-I531 HydrophobicContact CE-CG2 4.37Å; M225-I531 HydrophobicContact CG-CD1 4Å; V524-I531 HydrophobicContact CG1-CD1 4.3Å; V524-I531 HydrophobicContact CG1-CG1 4.1Å; I531-L534 HydrophobicContact CD1-CD1 4.29Å; I531-L534 HydrophobicContact CG2-CB 4.14Å; I531-L552 HydrophobicContact CD1-CD2 3.98Å
532	T	98.8	Very high	94.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-29	170.7	62.4	0	0	0	0	113.4	G216 A217 E219 A439 Q442 V490 A525 G526 T527	G216-T532 CarbonylContact C-O 3.57Å; G216-T532 VanDerWaalsContact CA-O 3.31Å; G216-T532 WeakPolarHBondContact CA-O 3.47Å; A217-T532 PolarHBondContact N-O 2.87Å; A217-T532 VanDerWaalsContact O-CA 3.28Å; A217-T532 WeakPolarHBondContact O-CA 3.36Å; E219-T532 HydrophobicContact CG-CG2 3.86Å; A439-T532 VanDerWaalsContact O-CB 3.26Å; A439-T532 WeakPolarHBondContact O-CB 3.36Å; A439-T532 PolarHBondContact O-OG1 3.18Å; Q442-T532 HydrophobicContact CB-CG2 3.93Å; Q442-T532 HydrophobicContact CG-CG2 4.31Å; V490-T532 HydrophobicContact CG2-CG2 4.32Å; A525-T532 PolarHBondContact O-N 2.96Å; A525-T532 PolarHBondContact O-OG1 2.95Å; G526-T532 WeakPolarHBondContact CA-OG1 3.43Å; T527-T532 HydrophobicContact CG2-CG2 4.08Å
533	A	98.7	Very high	94.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	154.1	169.4	0	0	0	0	0	111.5	S215 L435 R438 A439 A525	S215-A533 CarbonylContact O-C 3.6Å; S215-A533 VanDerWaalsContact O-CA 3.23Å; S215-A533 WeakPolarHBondContact O-CA 3.29Å; S215-A533 WeakPolarHBondContact O-CB 3.42Å; L435-A533 HydrophobicContact CD1-CB 4.14Å; R438-A533 HydrophobicContact CG-CB 4.47Å; A439-A533 HydrophobicContact CB-CB 3.66Å; A525-A533 HydrophobicContact CB-CB 4.39Å; A525-A533 PolarHBondContact N-O 2.75Å; A525-A533 PolarHBondContact O-N 3.42Å; A525-A533 VanDerWaalsContact O-O 3.13Å
534	L	97.8	Very high	94	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	136.5	-180	178	156.8	0	0	0	108.9	V213 E214 S215 M225 F522 K523 I531 L552	V213-L534 HydrophobicContact CB-CD2 3.93Å; V213-L534 HydrophobicContact CG1-CD2 3.12Å; E214-L534 CarbonylContact C-O 3.5Å; E214-L534 WeakPolarHBondContact CA-O 3.48Å; S215-L534 PolarHBondContact N-O 3.23Å; S215-L534 PolarHBondContact O-N 2.92Å; M225-L534 HydrophobicContact CG-CD1 3.77Å; F522-L534 HydrophobicContact CE2-CD1 3.76Å; F522-L534 HydrophobicContact CE2-CD2 3.65Å; F522-L534 HydrophobicContact CE2-CG 3.55Å; F522-L534 HydrophobicContact CZ-CD1 3.73Å; F522-L534 HydrophobicContact CZ-CD2 4.4Å; F522-L534 HydrophobicContact CZ-CG 4.06Å; K523-L534 CarbonylContact O-C 3.56Å; K523-L534 WeakPolarHBondContact O-CA 3.39Å; I531-L534 HydrophobicContact CD1-CD1 4.29Å; I531-L534 HydrophobicContact CG2-CB 4.14Å; L534-L552 HydrophobicContact CD1-CD2 3.73Å
535	Q	97.9	Very high	93.6	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	130.7	176.9	-178.3	-177.1	77.4	0	0	109.1	V213 E214 L435 K523	V213-Q535 CarbonylContact O-C 3.58Å; V213-Q535 WeakPolarHBondContact O-CA 3.35Å; E214-Q535 PolarHBondContact OE2-NE2 3.27Å; L435-Q535 HydrophobicContact CD1-CB 3.88Å; L435-Q535 HydrophobicContact CD2-CB 4.15Å; K523-Q535 HydrophobicContact CB-CB 4.39Å; K523-Q535 PolarHBondContact N-O 2.98Å; K523-Q535 PolarHBondContact O-N 2.65Å
536	M	95.3	Very high	93.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.8	179.5	-164.8	174.4	61.3	0	0	111.4	R121 I210 V213 M520 D521 F522 I538 I543 L548	R121-M536 VanDerWaalsContact NH2-C 3.31Å; R121-M536 PolarHBondContact NH2-O 3.42Å; I210-M536 HydrophobicContact CG2-CE 3.89Å; V213-M536 HydrophobicContact CB-CB 3.79Å; V213-M536 HydrophobicContact CB-CE 4.43Å; V213-M536 HydrophobicContact CG2-CB 4.19Å; V213-M536 HydrophobicContact CG2-CE 3.62Å; V213-M536 PolarHBondContact N-O 3.47Å; V213-M536 PolarHBondContact O-N 3.22Å; M520-M536 HydrophobicContact CG-CG 3.95Å; M520-M536 HydrophobicContact CG-SD 4.18Å; M520-M536 HydrophobicContact SD-CG 4.24Å; M520-M536 HydrophobicContact SD-SD 3.72Å; D521-M536 WeakPolarHBondContact O-CA 3.23Å; F522-M536 HydrophobicContact CB-CG 3.98Å; F522-M536 HydrophobicContact CB-SD 4.45Å; F522-M536 HydrophobicContact CD2-CB 3.53Å; F522-M536 HydrophobicContact CD2-CG 3.62Å; F522-M536 HydrophobicContact CD2-SD 3.89Å; F522-M536 HydrophobicContact CE2-CB 4.04Å; F522-M536 HydrophobicContact CE2-CG 4.36Å; F522-M536 HydrophobicContact CE2-SD 4.23Å; F522-M536 HydrophobicContact CG-CB 4.45Å; F522-M536 HydrophobicContact CG-CG 4.08Å; F522-M536 HydrophobicContact CG-SD 4.2Å; M536-I538 HydrophobicContact CE-CD1 3.37Å; M536-I538 HydrophobicContact CE-CG1 4.21Å; M536-I538 HydrophobicContact CG-CD1 4.31Å; M536-I538 HydrophobicContact CG-CG1 4.14Å; M536-I538 HydrophobicContact SD-CD1 3.92Å; M536-I538 HydrophobicContact SD-CG1 4.31Å; M536-I543 HydrophobicContact CE-CD1 3.65Å; M536-I543 HydrophobicContact CE-CG1 4.07Å; M536-I543 HydrophobicContact SD-CD1 3.3Å; M536-I543 WeakPolarHBondContact SD-CD1 3.17Å; M536-I543 HydrophobicContact SD-CG1 4.33Å; M536-L548 HydrophobicContact CE-CD2 3.87Å; M536-L548 HydrophobicContact SD-CD2 3.73Å
537	D	89.7	Confident	92.9	Very high	36 Å²	36	42.9 Å²	42.9	19%	0.193	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132	170.1	-78.5	-45.4	0	0	0	110.4	R121 M520 D521	R121-D537 WeakPolarHBondContact CG-OD1 3.29Å; R121-D537 IonicContact CZ-OD1 2.72Å; R121-D537 IonicContact CZ-OD2 3.33Å; R121-D537 VanDerWaalsContact NE-CG 3.3Å; R121-D537 IonicContact NE-OD1 3.64Å; R121-D537 PolarHBondContact NE-OD1 3.2Å; R121-D537 IonicContact NE-OD2 2.77Å; R121-D537 PolarHBondContact NE-OD2 2.68Å; R121-D537 VanDerWaalsContact NH2-CG 3.26Å; R121-D537 IonicContact NH2-OD1 2.65Å; R121-D537 PolarHBondContact NH2-OD1 3.43Å; R121-D537 IonicContact NH2-OD2 3.05Å; R121-D537 PolarHBondContact NH2-OD2 2.91Å; M520-D537 CarbonylContact C-O 3.54Å; M520-D537 VanDerWaalsContact CA-O 3.31Å; M520-D537 WeakPolarHBondContact CA-O 3.44Å; D521-D537 HydrophobicContact CB-CB 4.46Å; D521-D537 PolarHBondContact N-O 2.91Å; D521-D537 PolarHBondContact O-N 2.88Å
538	I	89.6	Confident	92.7	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.4	179.2	-63.2	166.9	0	0	0	108.9	P125 I210 D519 M520 M536 I540 I543	P125-I538 WeakPolarHBondContact CG-O 3.44Å; I210-I538 VanDerWaalsContact O-CD1 3.32Å; I210-I538 WeakPolarHBondContact O-CD1 3.48Å; D519-I538 CarbonylContact O-C 3.51Å; D519-I538 WeakPolarHBondContact O-CA 3.29Å; D519-I538 WeakPolarHBondContact O-CG2 3.45Å; M520-I538 HydrophobicContact CB-CG1 4.42Å; M520-I538 HydrophobicContact CG-CG1 4.07Å; M536-I538 HydrophobicContact CE-CD1 3.37Å; M536-I538 HydrophobicContact CE-CG1 4.21Å; M536-I538 HydrophobicContact CG-CD1 4.31Å; M536-I538 HydrophobicContact CG-CG1 4.14Å; M536-I538 HydrophobicContact SD-CD1 3.92Å; M536-I538 HydrophobicContact SD-CG1 4.31Å; I538-I540 HydrophobicContact CG2-CB 4.25Å; I538-I540 HydrophobicContact CG2-CD1 4.34Å; I538-I540 HydrophobicContact CG2-CG1 3.27Å; I538-I540 WeakPolarHBondContact CG2-O 3.49Å; I538-I543 HydrophobicContact CD1-CB 4.16Å; I538-I543 HydrophobicContact CD1-CD1 3.91Å; I538-I543 HydrophobicContact CD1-CG1 3.67Å; I538-I543 HydrophobicContact CD1-CG2 3.71Å; I538-I543 HydrophobicContact CG1-CG2 4.31Å; I538-I543 HydrophobicContact CG2-CG2 4.48Å
539	K	86.6	Confident	92.6	Very high	102 Å²	102	38.3 Å²	38.3	44%	0.443	20%	0.199	S	C	.	.	S	Bend	trans	-101.9	-10.9	175.8	-57.8	-171.7	-162	141.3	0	113.8	D515 H516 G518 D519	D515-K539 PolarHBondContact O-NZ 2.87Å; H516-K539 VanDerWaalsContact C-NZ 3.26Å; H516-K539 PolarHBondContact O-NZ 3.5Å; G518-K539 WeakPolarHBondContact O-CD 3.38Å; G518-K539 PolarHBondContact O-NZ 3.34Å; D519-K539 PolarHBondContact O-N 2.85Å
540	I	87.4	Confident	92.5	Very high	52 Å²	52	36.5 Å²	36.5	27%	0.267	19%	0.187	S	C	.	.	S	Bend	trans	-94.6	179.5	168.6	59.8	172.6	0	0	0	110.5	L497 D519 I538 G542 I543	L497-I540 HydrophobicContact CD2-CD1 4.32Å; D519-I540 HydrophobicContact CB-CD1 4.17Å; D519-I540 HydrophobicContact CB-CG1 4.2Å; D519-I540 HydrophobicContact CB-CG2 3.87Å; I538-I540 HydrophobicContact CG2-CB 4.25Å; I538-I540 HydrophobicContact CG2-CD1 4.34Å; I538-I540 HydrophobicContact CG2-CG1 3.27Å; I538-I540 WeakPolarHBondContact CG2-O 3.49Å; I540-G542 WeakPolarHBondContact CD1-O 3.46Å; I540-G542 PolarHBondContact O-N 2.87Å; I540-G542 VanDerWaalsContact O-N 3.15Å; I540-I543 HydrophobicContact CD1-CG2 4.34Å
541	Q	81.2	Confident	92.5	Very high	106 Å²	106	36.4 Å²	36.4	50%	0.495	19%	0.186	S	C	.	.	S	Bend	trans	-65.5	-19.7	-176.3	-67.7	-173.1	-16.6	0	0	114.3	M126 D170 N211	M126-Q541 HydrophobicContact CE-CB 4.38Å; M126-Q541 HydrophobicContact CE-CG 4.37Å; D170-Q541 PolarHBondContact OD2-NE2 2.75Å; N211-Q541 WeakPolarHBondContact CB-O 3.12Å
542	G	86.7	Confident	92.4	Very high	14 Å²	14	36.5 Å²	36.5	14%	0.144	19%	0.187	C	C	.	.			trans	155.4	-175.9	171.9	0	0	0	0	0	111.7	I210 I540	I210-G542 CarbonylContact O-C 3.55Å; I210-G542 WeakPolarHBondContact O-CA 3.41Å; I540-G542 WeakPolarHBondContact CD1-O 3.46Å; I540-G542 PolarHBondContact O-N 2.87Å; I540-G542 VanDerWaalsContact O-N 3.15Å
543	I	89.7	Confident	92.4	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.036	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-125.4	162.7	178.8	65.4	177.6	0	0	0	112.5	I210 L497 M520 M536 I538 I540 I547 L548	I210-I543 PolarHBondContact O-N 3.07Å; L497-I543 HydrophobicContact CD2-CG2 3.7Å; M520-I543 HydrophobicContact SD-CD1 3.59Å; M520-I543 VanDerWaalsContact SD-CD1 3.59Å; M520-I543 HydrophobicContact SD-CG2 4.38Å; M536-I543 HydrophobicContact CE-CD1 3.65Å; M536-I543 HydrophobicContact CE-CG1 4.07Å; M536-I543 HydrophobicContact SD-CD1 3.3Å; M536-I543 WeakPolarHBondContact SD-CD1 3.17Å; M536-I543 HydrophobicContact SD-CG1 4.33Å; I538-I543 HydrophobicContact CD1-CB 4.16Å; I538-I543 HydrophobicContact CD1-CD1 3.91Å; I538-I543 HydrophobicContact CD1-CG1 3.67Å; I538-I543 HydrophobicContact CD1-CG2 3.71Å; I538-I543 HydrophobicContact CG1-CG2 4.31Å; I538-I543 HydrophobicContact CG2-CG2 4.48Å; I540-I543 HydrophobicContact CD1-CG2 4.34Å; I543-I547 HydrophobicContact CB-CB 4.41Å; I543-I547 HydrophobicContact CB-CG2 4.32Å; I543-I547 HydrophobicContact CD1-CG2 4.27Å; I543-I547 HydrophobicContact CG2-CG2 4.47Å; I543-L548 HydrophobicContact CD1-CD1 4.35Å; I543-L548 HydrophobicContact CD1-CD2 3.55Å; I543-L548 HydrophobicContact CD1-CG 3.51Å; I543-L548 HydrophobicContact CG1-CD1 4.27Å; I543-L548 HydrophobicContact CG1-CD2 4.32Å; I543-L548 HydrophobicContact CG1-CG 3.91Å
544	T	87	Confident	92.4	Very high	78 Å²	78	42.3 Å²	42.3	48%	0.479	22%	0.219	S	C	.	.			trans	-87	162.2	179.7	67.6	0	0	0	0	112	Q546 I547 L548	T544-Q546 PolarHBondContact O-N 2.82Å; T544-I547 PolarHBondContact O-N 2.85Å; T544-I547 WeakPolarHBondContact OG1-CG1 3.44Å; T544-I547 PolarHBondContact OG1-N 3.01Å; T544-L548 PolarHBondContact O-N 3.44Å; T544-L548 VanDerWaalsContact O-N 3.11Å
545	E	90.1	Very high	92.4	Very high	111 Å²	111	42.3 Å²	42.3	52%	0.519	22%	0.219	S	C	.	.	H	α-helix	trans	-55.5	-39.5	172.3	177.5	179.8	164.2	0	0	112.6	L230 L548 S549	L230-E545 VanDerWaalsContact CD1-CD 3.44Å; L230-E545 HydrophobicContact CD1-CG 3.92Å; L230-E545 WeakPolarHBondContact CD1-OE1 3.49Å; L230-E545 HydrophobicContact CD2-CB 4.04Å; L230-E545 HydrophobicContact CD2-CG 3.88Å; L230-E545 HydrophobicContact CG-CG 4.47Å; E545-L548 WeakPolarHBondContact O-CB 3.21Å; E545-L548 PolarHBondContact O-N 3.14Å; E545-S549 WeakPolarHBondContact O-CB 3.43Å; E545-S549 PolarHBondContact O-N 3.17Å
546	Q	91.2	Very high	92.4	Very high	117 Å²	117	46.4 Å²	46.4	55%	0.547	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-48.3	178.5	-178.6	-178.3	-10.6	0	0	111.4	Y504 T544 L548 S549 E550	Y504-Q546 PolarHBondContact OH-NE2 3.01Å; T544-Q546 PolarHBondContact O-N 2.82Å; Q546-L548 VanDerWaalsContact C-N 3.34Å; Q546-L548 PolarHBondContact O-N 2.88Å; Q546-S549 PolarHBondContact O-N 3.02Å; Q546-E550 VanDerWaalsContact CG-OE1 3.29Å; Q546-E550 WeakPolarHBondContact CG-OE1 3.32Å; Q546-E550 PolarHBondContact NE2-OE1 3.3Å; Q546-E550 WeakPolarHBondContact O-CG 3.36Å; Q546-E550 PolarHBondContact O-N 3.33Å
547	I	92.4	Very high	92.6	Very high	16 Å²	16	52 Å²	52	8%	0.082	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-41.9	179.9	-64.5	174.1	0	0	0	110.5	L497 Y504 I506 I543 T544 S549 A551	L497-I547 HydrophobicContact CD1-CD1 4.42Å; L497-I547 HydrophobicContact CD1-CG2 3.94Å; L497-I547 HydrophobicContact CD2-CD1 4.25Å; L497-I547 HydrophobicContact CD2-CG2 4.16Å; Y504-I547 HydrophobicContact CD1-CD1 4.35Å; Y504-I547 HydrophobicContact CD2-CD1 4.4Å; Y504-I547 HydrophobicContact CD2-CG1 4.25Å; Y504-I547 HydrophobicContact CE1-CD1 4.49Å; Y504-I547 HydrophobicContact CE1-CG1 4.24Å; Y504-I547 HydrophobicContact CE2-CG1 3.94Å; Y504-I547 HydrophobicContact CG-CD1 4.31Å; I506-I547 HydrophobicContact CD1-CG2 4.23Å; I506-I547 HydrophobicContact CG1-CG2 4.45Å; I543-I547 HydrophobicContact CB-CB 4.41Å; I543-I547 HydrophobicContact CB-CG2 4.32Å; I543-I547 HydrophobicContact CD1-CG2 4.27Å; I543-I547 HydrophobicContact CG2-CG2 4.47Å; T544-I547 PolarHBondContact O-N 2.85Å; T544-I547 WeakPolarHBondContact OG1-CG1 3.44Å; T544-I547 PolarHBondContact OG1-N 3.01Å; I547-S549 PolarHBondContact O-N 3.15Å; I547-A551 WeakPolarHBondContact O-CB 3.43Å; I547-A551 PolarHBondContact O-N 2.98Å
548	L	93.6	Very high	93	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-47.8	175.1	-82	165.9	0	0	0	112.1	I210 L226 L229 F522 M536 I543 T544 E545 Q546 A551 L552	I210-L548 HydrophobicContact CD1-CD1 3.92Å; L226-L548 HydrophobicContact CD1-CB 4.1Å; L229-L548 HydrophobicContact CD1-CD2 4.47Å; F522-L548 HydrophobicContact CZ-CD2 4.49Å; M536-L548 HydrophobicContact CE-CD2 3.87Å; M536-L548 HydrophobicContact SD-CD2 3.73Å; I543-L548 HydrophobicContact CD1-CD1 4.35Å; I543-L548 HydrophobicContact CD1-CD2 3.55Å; I543-L548 HydrophobicContact CD1-CG 3.51Å; I543-L548 HydrophobicContact CG1-CD1 4.27Å; I543-L548 HydrophobicContact CG1-CD2 4.32Å; I543-L548 HydrophobicContact CG1-CG 3.91Å; T544-L548 PolarHBondContact O-N 3.44Å; T544-L548 VanDerWaalsContact O-N 3.11Å; E545-L548 WeakPolarHBondContact O-CB 3.21Å; E545-L548 PolarHBondContact O-N 3.14Å; Q546-L548 VanDerWaalsContact C-N 3.34Å; Q546-L548 PolarHBondContact O-N 2.88Å; L548-A551 PolarHBondContact O-N 3.48Å; L548-L552 WeakPolarHBondContact O-CB 3.43Å; L548-L552 WeakPolarHBondContact O-CG 3.47Å; L548-L552 PolarHBondContact O-N 3.27Å
549	S	96.2	Very high	93.4	Very high	49 Å²	49	50.1 Å²	50.1	34%	0.343	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-45.5	-179.1	-175.7	0	0	0	0	112.3	E545 Q546 I547 L552 T553	E545-S549 WeakPolarHBondContact O-CB 3.43Å; E545-S549 PolarHBondContact O-N 3.17Å; Q546-S549 PolarHBondContact O-N 3.02Å; I547-S549 PolarHBondContact O-N 3.15Å; S549-L552 PolarHBondContact O-N 3.43Å; S549-T553 WeakPolarHBondContact O-CB 3.49Å; S549-T553 PolarHBondContact O-N 3.44Å; S549-T553 PolarHBondContact O-OG1 3.29Å
550	E	96.6	Very high	94	Very high	64 Å²	64	47.7 Å²	47.7	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-44.4	175.7	-72.7	174.6	-160.8	0	0	111.2	Y504 I506 Q546 T553 Q554	Y504-E550 WeakPolarHBondContact CE2-OE2 3.31Å; Y504-E550 VanDerWaalsContact OH-CD 3.24Å; Y504-E550 PolarHBondContact OH-OE1 2.85Å; Y504-E550 VanDerWaalsContact OH-OE1 3.04Å; Y504-E550 PolarHBondContact OH-OE2 3.01Å; I506-E550 HydrophobicContact CD1-CB 3.44Å; I506-E550 VanDerWaalsContact CD1-CB 3.44Å; Q546-E550 VanDerWaalsContact CG-OE1 3.29Å; Q546-E550 WeakPolarHBondContact CG-OE1 3.32Å; Q546-E550 PolarHBondContact NE2-OE1 3.3Å; Q546-E550 WeakPolarHBondContact O-CG 3.36Å; Q546-E550 PolarHBondContact O-N 3.33Å; E550-T553 PolarHBondContact O-N 3.27Å; E550-Q554 WeakPolarHBondContact O-CG 3.38Å; E550-Q554 PolarHBondContact O-N 3.2Å
551	A	96.9	Very high	94.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-39.7	-179.4	0	0	0	0	0	112.4	I506 M520 F522 I547 L548 T553 A555	I506-A551 HydrophobicContact CD1-CB 4.3Å; I506-A551 HydrophobicContact CG2-CB 4.26Å; M520-A551 HydrophobicContact CE-CB 4.2Å; F522-A551 HydrophobicContact CD1-CB 3.67Å; F522-A551 HydrophobicContact CE1-CB 3.85Å; I547-A551 WeakPolarHBondContact O-CB 3.43Å; I547-A551 PolarHBondContact O-N 2.98Å; L548-A551 PolarHBondContact O-N 3.48Å; A551-T553 VanDerWaalsContact C-N 3.35Å; A551-A555 WeakPolarHBondContact O-CB 3.4Å; A551-A555 PolarHBondContact O-N 3.01Å
552	L	97.9	Very high	95.4	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-42.4	173	-79.1	171	0	0	0	111.8	E222 L226 F522 V524 I531 L534 L548 S549 A555 K556	E222-L552 HydrophobicContact CB-CB 4.38Å; E222-L552 HydrophobicContact CG-CB 4.34Å; L226-L552 HydrophobicContact CB-CD1 4.08Å; L226-L552 HydrophobicContact CD1-CD1 4.45Å; F522-L552 HydrophobicContact CE1-CD2 3.96Å; F522-L552 HydrophobicContact CE1-CG 3.97Å; F522-L552 HydrophobicContact CZ-CD2 3.64Å; F522-L552 HydrophobicContact CZ-CG 3.93Å; V524-L552 HydrophobicContact CG2-CD2 4.44Å; I531-L552 HydrophobicContact CD1-CD2 3.98Å; L534-L552 HydrophobicContact CD1-CD2 3.73Å; L548-L552 WeakPolarHBondContact O-CB 3.43Å; L548-L552 WeakPolarHBondContact O-CG 3.47Å; L548-L552 PolarHBondContact O-N 3.27Å; S549-L552 PolarHBondContact O-N 3.43Å; L552-A555 PolarHBondContact O-N 3.4Å; L552-K556 PolarHBondContact O-N 3.15Å
553	T	98	Very high	95.9	Very high	76 Å²	76	44.7 Å²	44.7	47%	0.466	23%	0.225	S	C	.	.	H	α-helix	trans	-63.8	-48.2	179.3	-59.4	0	0	0	0	111.3	S549 E550 A551 K556 Q557	S549-T553 WeakPolarHBondContact O-CB 3.49Å; S549-T553 PolarHBondContact O-N 3.44Å; S549-T553 PolarHBondContact O-OG1 3.29Å; E550-T553 PolarHBondContact O-N 3.27Å; A551-T553 VanDerWaalsContact C-N 3.35Å; T553-K556 WeakPolarHBondContact O-CB 3.43Å; T553-K556 PolarHBondContact O-N 3.09Å; T553-Q557 PolarHBondContact O-N 3.48Å
554	Q	98	Very high	96.4	Very high	46 Å²	46	50 Å²	50	22%	0.215	25%	0.25	C	C	.	.	H	α-helix	trans	-64.8	-40.5	176.3	-69.7	-176.5	25.9	0	0	111.7	M495 E550 K556 Q557 A558	M495-Q554 HydrophobicContact CE-CB 3.45Å; M495-Q554 VanDerWaalsContact CE-CB 3.45Å; E550-Q554 WeakPolarHBondContact O-CG 3.38Å; E550-Q554 PolarHBondContact O-N 3.2Å; Q554-K556 VanDerWaalsContact C-N 3.3Å; Q554-K556 PolarHBondContact O-N 3.03Å; Q554-Q557 PolarHBondContact O-N 2.9Å; Q554-A558 PolarHBondContact O-N 2.69Å
555	A	98.5	Very high	96.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-40.5	176.1	0	0	0	0	0	112.1	I493 M495 V524 A551 L552 A558 R559	I493-A555 HydrophobicContact CG2-CB 3.85Å; M495-A555 HydrophobicContact CG-CB 3.74Å; M495-A555 HydrophobicContact SD-CB 3.78Å; V524-A555 HydrophobicContact CB-CB 3.92Å; V524-A555 HydrophobicContact CG1-CB 4.38Å; V524-A555 HydrophobicContact CG2-CB 3.72Å; A551-A555 WeakPolarHBondContact O-CB 3.4Å; A551-A555 PolarHBondContact O-N 3.01Å; L552-A555 PolarHBondContact O-N 3.4Å; A555-A558 PolarHBondContact O-N 3.27Å; A555-R559 WeakPolarHBondContact O-CB 3.27Å; A555-R559 VanDerWaalsContact O-CG 3.31Å; A555-R559 WeakPolarHBondContact O-CG 3.4Å; A555-R559 PolarHBondContact O-N 2.77Å
556	K	98.6	Very high	97.3	Very high	90 Å²	90	42.3 Å²	42.3	39%	0.391	21%	0.211	S	C	.	.	H	α-helix	trans	-58.4	-50	175.9	-174.6	-178.5	-164.1	148.3	0	111.6	E222 L552 T553 Q554 A558 R559 M560	E222-K556 HydrophobicContact CG-CB 4.37Å; E222-K556 HydrophobicContact CG-CD 4.4Å; E222-K556 WeakPolarHBondContact OE1-CB 3.41Å; E222-K556 WeakPolarHBondContact OE1-CD 3.33Å; E222-K556 VanDerWaalsContact OE1-CG 3.3Å; E222-K556 WeakPolarHBondContact OE1-CG 3.33Å; E222-K556 IonicContact OE1-NZ 3.28Å; E222-K556 WeakPolarHBondContact OE2-CD 3.11Å; E222-K556 WeakPolarHBondContact OE2-CE 3.25Å; E222-K556 IonicContact OE2-NZ 3.44Å; E222-K556 PolarHBondContact OE2-NZ 2.9Å; L552-K556 PolarHBondContact O-N 3.15Å; T553-K556 WeakPolarHBondContact O-CB 3.43Å; T553-K556 PolarHBondContact O-N 3.09Å; Q554-K556 VanDerWaalsContact C-N 3.3Å; Q554-K556 PolarHBondContact O-N 3.03Å; K556-A558 VanDerWaalsContact C-N 3.34Å; K556-A558 PolarHBondContact O-N 2.86Å; K556-R559 PolarHBondContact O-N 3.05Å; K556-M560 WeakPolarHBondContact O-CG 3.34Å; K556-M560 PolarHBondContact O-N 3.47Å
557	Q	98.4	Very high	97.7	Very high	118 Å²	118	39.3 Å²	39.3	55%	0.551	20%	0.201	S	C	*	.	H	α-helix	trans	-57.2	-49.6	179.3	-68.3	174.7	-30.4	0	0	110.7	T553 Q554 R559 M560 E561	T553-Q557 PolarHBondContact O-N 3.48Å; Q554-Q557 PolarHBondContact O-N 2.9Å; Q557-R559 VanDerWaalsContact C-N 3.33Å; Q557-R559 PolarHBondContact O-N 2.98Å; Q557-M560 WeakPolarHBondContact O-CB 3.47Å; Q557-M560 PolarHBondContact O-N 3.15Å; Q557-M560 VanDerWaalsContact O-N 3.08Å; Q557-E561 PolarHBondContact O-N 2.85Å
558	A	98.7	Very high	98	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-34.8	-179	0	0	0	0	0	113.6	I353 I493 T508 Q554 A555 K556 M560 E561 I562	I353-A558 HydrophobicContact CD1-CB 3.74Å; I353-A558 HydrophobicContact CG1-CB 4.25Å; I493-A558 HydrophobicContact CB-CB 4.5Å; I493-A558 HydrophobicContact CD1-CB 4.39Å; I493-A558 HydrophobicContact CG1-CB 3.85Å; T508-A558 HydrophobicContact CG2-CB 3.49Å; T508-A558 VanDerWaalsContact CG2-CB 3.49Å; Q554-A558 PolarHBondContact O-N 2.69Å; A555-A558 PolarHBondContact O-N 3.27Å; K556-A558 VanDerWaalsContact C-N 3.34Å; K556-A558 PolarHBondContact O-N 2.86Å; A558-M560 VanDerWaalsContact C-N 3.32Å; A558-M560 PolarHBondContact O-N 2.99Å; A558-E561 PolarHBondContact O-N 3.11Å; A558-I562 WeakPolarHBondContact O-CG1 3.47Å; A558-I562 PolarHBondContact O-N 3.27Å
559	R	98.5	Very high	98.2	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-37.3	173.6	-75.5	-172.8	-56.5	165.7	6.1	112	E222 I493 V524 A525 G526 A555 K556 Q557 I562 L563	E222-R559 IonicContact OE1-CZ 2.68Å; E222-R559 IonicContact OE1-NH2 2.63Å; E222-R559 PolarHBondContact OE1-NH2 3.09Å; I493-R559 HydrophobicContact CB-CG 4.27Å; I493-R559 HydrophobicContact CG2-CG 3.69Å; V524-R559 WeakPolarHBondContact O-CD 3.38Å; A525-R559 PolarHBondContact O-NH1 2.83Å; A525-R559 VanDerWaalsContact O-NH1 3.07Å; G526-R559 VanDerWaalsContact N-NH1 3.14Å; A555-R559 WeakPolarHBondContact O-CB 3.27Å; A555-R559 VanDerWaalsContact O-CG 3.31Å; A555-R559 WeakPolarHBondContact O-CG 3.4Å; A555-R559 PolarHBondContact O-N 2.77Å; K556-R559 PolarHBondContact O-N 3.05Å; Q557-R559 VanDerWaalsContact C-N 3.33Å; Q557-R559 PolarHBondContact O-N 2.98Å; R559-I562 PolarHBondContact O-N 3.34Å; R559-L563 WeakPolarHBondContact O-CB 3.31Å; R559-L563 VanDerWaalsContact O-CG 3.29Å; R559-L563 WeakPolarHBondContact O-CG 3.37Å; R559-L563 PolarHBondContact O-N 2.84Å
560	M	98.6	Very high	98.3	Very high	51 Å²	51	46.9 Å²	46.9	25%	0.251	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-43.8	179.2	-62	-52.9	107.7	0	0	111.2	K528 K556 Q557 A558 I562 L563 E564	K528-M560 HydrophobicContact CB-SD 4.44Å; K556-M560 WeakPolarHBondContact O-CG 3.34Å; K556-M560 PolarHBondContact O-N 3.47Å; Q557-M560 WeakPolarHBondContact O-CB 3.47Å; Q557-M560 PolarHBondContact O-N 3.15Å; Q557-M560 VanDerWaalsContact O-N 3.08Å; A558-M560 VanDerWaalsContact C-N 3.32Å; A558-M560 PolarHBondContact O-N 2.99Å; M560-I562 VanDerWaalsContact C-N 3.31Å; M560-I562 PolarHBondContact O-N 2.94Å; M560-L563 HydrophobicContact CE-CD1 3.76Å; M560-L563 PolarHBondContact O-N 2.61Å; M560-L563 HydrophobicContact SD-CD1 4.11Å; M560-E564 WeakPolarHBondContact O-CG 3.45Å; M560-E564 PolarHBondContact O-N 2.77Å
561	E	98.6	Very high	98.4	Very high	95 Å²	95	47.8 Å²	47.8	44%	0.444	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-41.2	175.2	-66.8	178.4	-138.7	0	0	112	I353 Q557 A558 E564 V565	I353-E561 HydrophobicContact CD1-CB 3.88Å; I353-E561 HydrophobicContact CD1-CG 4.47Å; I353-E561 WeakPolarHBondContact CD1-OE2 3.33Å; Q557-E561 PolarHBondContact O-N 2.85Å; A558-E561 PolarHBondContact O-N 3.11Å; E561-E564 PolarHBondContact O-N 2.87Å; E561-V565 PolarHBondContact O-N 2.97Å
562	I	98.8	Very high	98.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.8	-41.9	176.5	-65.3	168.6	0	0	0	111.1	I353 L356 F372 A491 I493 A558 R559 M560 E564 V565 L566	I353-I562 HydrophobicContact CD1-CG1 4.3Å; L356-I562 HydrophobicContact CD1-CG1 3.83Å; L356-I562 HydrophobicContact CD2-CG1 4.33Å; F372-I562 HydrophobicContact CE2-CG2 3.9Å; F372-I562 HydrophobicContact CZ-CG2 3.75Å; A491-I562 HydrophobicContact CB-CB 3.96Å; A491-I562 HydrophobicContact CB-CG2 3.63Å; I493-I562 HydrophobicContact CB-CD1 4.41Å; I493-I562 HydrophobicContact CD1-CD1 3.96Å; A558-I562 WeakPolarHBondContact O-CG1 3.47Å; A558-I562 PolarHBondContact O-N 3.27Å; R559-I562 PolarHBondContact O-N 3.34Å; M560-I562 VanDerWaalsContact C-N 3.31Å; M560-I562 PolarHBondContact O-N 2.94Å; I562-E564 VanDerWaalsContact C-N 3.28Å; I562-E564 PolarHBondContact O-N 2.98Å; I562-V565 PolarHBondContact O-N 3.35Å; I562-L566 HydrophobicContact CG2-CG 4.4Å; I562-L566 WeakPolarHBondContact O-CG 3.42Å; I562-L566 PolarHBondContact O-N 3.28Å
563	L	98.8	Very high	98.5	Very high	13 Å²	13	54.6 Å²	54.6	7%	0.068	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-37.6	177.8	-76.4	170.1	0	0	0	112.1	P489 A491 K528 R559 M560 L566 T567	P489-L563 HydrophobicContact CB-CD2 4.15Å; P489-L563 HydrophobicContact CG-CD2 4.2Å; P489-L563 WeakPolarHBondContact O-CD2 3.46Å; A491-L563 HydrophobicContact CB-CD2 3.72Å; A491-L563 HydrophobicContact CB-CG 3.66Å; K528-L563 HydrophobicContact CB-CD1 4.43Å; R559-L563 WeakPolarHBondContact O-CB 3.31Å; R559-L563 VanDerWaalsContact O-CG 3.29Å; R559-L563 WeakPolarHBondContact O-CG 3.37Å; R559-L563 PolarHBondContact O-N 2.84Å; M560-L563 HydrophobicContact CE-CD1 3.76Å; M560-L563 PolarHBondContact O-N 2.61Å; M560-L563 HydrophobicContact SD-CD1 4.11Å; L563-L566 PolarHBondContact O-N 3.46Å; L563-T567 WeakPolarHBondContact O-CG2 3.2Å; L563-T567 PolarHBondContact O-N 3.14Å; L563-T567 PolarHBondContact O-OG1 2.96Å
564	E	98.7	Very high	98.5	Very high	118 Å²	118	56.9 Å²	56.9	55%	0.551	29%	0.287	S	S	*	.	H	α-helix	trans	-56.7	-50.7	173.7	-73	175.1	-175.5	0	0	110.4	M560 E561 I562 L566 T567 E568	M560-E564 WeakPolarHBondContact O-CG 3.45Å; M560-E564 PolarHBondContact O-N 2.77Å; E561-E564 PolarHBondContact O-N 2.87Å; I562-E564 VanDerWaalsContact C-N 3.28Å; I562-E564 PolarHBondContact O-N 2.98Å; E564-L566 VanDerWaalsContact C-N 3.33Å; E564-L566 PolarHBondContact O-N 3.32Å; E564-T567 PolarHBondContact O-N 3.35Å; E564-T567 PolarHBondContact O-OG1 2.8Å; E564-T567 VanDerWaalsContact O-OG1 3.09Å; E564-E568 WeakPolarHBondContact O-CB 3.43Å; E564-E568 WeakPolarHBondContact O-CG 3.5Å; E564-E568 PolarHBondContact O-N 3.3Å
565	V	98.7	Very high	98.4	Very high	29 Å²	29	63.3 Å²	63.3	18%	0.176	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-40.6	178	176.7	0	0	0	0	112.6	L356 A358 E561 I562 T569	L356-V565 HydrophobicContact CB-CG1 4.23Å; L356-V565 HydrophobicContact CB-CG2 3.95Å; L356-V565 HydrophobicContact CD1-CG2 3.8Å; A358-V565 HydrophobicContact CB-CG1 4.12Å; E561-V565 PolarHBondContact O-N 2.97Å; I562-V565 PolarHBondContact O-N 3.35Å; V565-T569 PolarHBondContact O-N 3.5Å; V565-T569 VanDerWaalsContact O-N 3.14Å; V565-T569 PolarHBondContact O-OG1 2.92Å
566	L	98.8	Very high	98	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.7	-46	177.6	-60.7	-173.4	0	0	0	111.4	A358 F372 C473 T476 L477 A491 I562 L563 E564 T569 I570	A358-L566 HydrophobicContact CB-CD2 4.45Å; F372-L566 HydrophobicContact CD2-CD2 3.67Å; F372-L566 HydrophobicContact CE2-CD2 3.83Å; C473-L566 HydrophobicContact CB-CD1 4.27Å; C473-L566 HydrophobicContact CB-CD2 4.15Å; T476-L566 HydrophobicContact CG2-CD1 4.23Å; L477-L566 HydrophobicContact CD1-CD2 3.91Å; L477-L566 HydrophobicContact CD2-CB 4.43Å; L477-L566 HydrophobicContact CD2-CD2 3.99Å; L477-L566 HydrophobicContact CG-CD2 3.89Å; A491-L566 HydrophobicContact CB-CD1 4.36Å; I562-L566 HydrophobicContact CG2-CG 4.4Å; I562-L566 WeakPolarHBondContact O-CG 3.42Å; I562-L566 PolarHBondContact O-N 3.28Å; L563-L566 PolarHBondContact O-N 3.46Å; E564-L566 VanDerWaalsContact C-N 3.33Å; E564-L566 PolarHBondContact O-N 3.32Å; L566-T569 WeakPolarHBondContact O-CB 3.47Å; L566-T569 PolarHBondContact O-N 2.97Å; L566-I570 PolarHBondContact O-N 2.84Å
567	T	98.4	Very high	97.8	Very high	54 Å²	54	68.6 Å²	68.6	33%	0.331	34%	0.341	S	S	.	.	H	α-helix	trans	-75.2	-26.4	-177.3	55.7	0	0	0	0	113.4	P489 L563 E564 T569 I570 A571	P489-T567 HydrophobicContact CG-CG2 3.84Å; L563-T567 WeakPolarHBondContact O-CG2 3.2Å; L563-T567 PolarHBondContact O-N 3.14Å; L563-T567 PolarHBondContact O-OG1 2.96Å; E564-T567 PolarHBondContact O-N 3.35Å; E564-T567 PolarHBondContact O-OG1 2.8Å; E564-T567 VanDerWaalsContact O-OG1 3.09Å; T567-T569 VanDerWaalsContact C-N 3.33Å; T567-I570 CarbonylContact O-C 3.41Å; T567-A571 VanDerWaalsContact O-CA 3.25Å; T567-A571 WeakPolarHBondContact O-CA 3.19Å; T567-A571 PolarHBondContact O-N 3.18Å
568	E	98.6	Very high	97.4	Very high	160 Å²	160	63.9 Å²	63.9	75%	0.748	32%	0.321	S	S	*	.	H	α-helix	trans	-67	-35.8	167.5	-75.7	-176.3	167.6	0	0	111.9	E564	E564-E568 WeakPolarHBondContact O-CB 3.43Å; E564-E568 WeakPolarHBondContact O-CG 3.5Å; E564-E568 PolarHBondContact O-N 3.3Å
569	T	98.7	Very high	96.9	Very high	47 Å²	47	68.6 Å²	68.6	29%	0.288	35%	0.351	S	S	.	.	H	α-helix	trans	-72.8	-43.4	178.1	-57.6	0	0	0	0	111.7	A358 T360 L477 V565 L566 T567	A358-T569 HydrophobicContact CB-CG2 4.04Å; A358-T569 VanDerWaalsContact CB-OG1 3.27Å; A358-T569 WeakPolarHBondContact CB-OG1 3.34Å; T360-T569 HydrophobicContact CG2-CG2 4.14Å; L477-T569 HydrophobicContact CD2-CG2 4.14Å; V565-T569 PolarHBondContact O-N 3.5Å; V565-T569 VanDerWaalsContact O-N 3.14Å; V565-T569 PolarHBondContact O-OG1 2.92Å; L566-T569 WeakPolarHBondContact O-CB 3.47Å; L566-T569 PolarHBondContact O-N 2.97Å; T567-T569 VanDerWaalsContact C-N 3.33Å
570	I	98.4	Very high	96.5	Very high	18 Å²	18	73.6 Å²	73.6	9%	0.092	37%	0.371	C	S	.	.			trans	-149.4	110.1	175.5	-174.7	165	0	0	0	109.7	T360 L477 M480 L566 T567 E572 R574	T360-I570 HydrophobicContact CG2-CB 4.22Å; T360-I570 HydrophobicContact CG2-CD1 4.41Å; T360-I570 HydrophobicContact CG2-CG2 3.92Å; L477-I570 HydrophobicContact CD2-CG2 3.66Å; M480-I570 HydrophobicContact CB-CD1 3.84Å; M480-I570 HydrophobicContact CB-CG1 4.3Å; M480-I570 HydrophobicContact CB-CG2 4.07Å; M480-I570 HydrophobicContact CE-CG1 4.33Å; M480-I570 HydrophobicContact CE-CG2 4Å; M480-I570 WeakPolarHBondContact CE-O 3.32Å; M480-I570 HydrophobicContact SD-CG2 4.01Å; L566-I570 PolarHBondContact O-N 2.84Å; T567-I570 CarbonylContact O-C 3.41Å; I570-E572 VanDerWaalsContact CG1-O 3.26Å; I570-E572 WeakPolarHBondContact CG1-O 3.33Å; I570-R574 HydrophobicContact CD1-CG 4.39Å
571	A	97.6	Very high	96.2	Very high	83 Å²	83	71.2 Å²	71.2	69%	0.686	36%	0.36	S	S	*	.	S	Bend	trans	-73.5	-34.9	-172.5	0	0	0	0	0	113.7	T567	T567-A571 VanDerWaalsContact O-CA 3.25Å; T567-A571 WeakPolarHBondContact O-CA 3.19Å; T567-A571 PolarHBondContact O-N 3.18Å
572	E	97.9	Very high	95.8	Very high	111 Å²	111	67.8 Å²	67.8	52%	0.519	35%	0.345	S	S	.	.	S	Bend	trans	-142.9	154.7	-179.6	62	179	-170	0	0	110.4	I570 K575	I570-E572 VanDerWaalsContact CG1-O 3.26Å; I570-E572 WeakPolarHBondContact CG1-O 3.33Å; E572-K575 WeakPolarHBondContact OE1-CE 3.32Å; E572-K575 IonicContact OE1-NZ 2.72Å
573	P	98.5	Very high	95.4	Very high	35 Å²	35	71 Å²	71	23%	0.227	36%	0.359	C	S	.	.			trans	-52.9	144.5	171	-24.8	34.1	0	0	0	112.3	M480 V484 I486 K575	M480-P573 HydrophobicContact CG-CG 4.24Å; M480-P573 WeakPolarHBondContact O-CA 3.48Å; V484-P573 VanDerWaalsContact O-CB 3.32Å; V484-P573 WeakPolarHBondContact O-CB 3.37Å; V484-P573 WeakPolarHBondContact O-CG 3.45Å; I486-P573 HydrophobicContact CG1-CG 4.21Å; P573-K575 PolarHBondContact O-N 3.13Å
574	R	98.1	Very high	95	Very high	123 Å²	123	71.2 Å²	71.2	46%	0.464	36%	0.36	S	S	.	.			trans	-59.1	135.7	175.9	-65.7	-164.4	-171.2	-93.3	-3.4	110.5	M480 D481 G483 I570 E576	M480-R574 PolarHBondContact O-N 3.21Å; D481-R574 WeakPolarHBondContact O-CD 3.03Å; D481-R574 PolarHBondContact O-NE 2.72Å; D481-R574 IonicContact OD1-CZ 3.79Å; D481-R574 IonicContact OD1-NE 2.63Å; D481-R574 PolarHBondContact OD1-NE 3.01Å; D481-R574 IonicContact OD1-NH2 2.73Å; D481-R574 PolarHBondContact OD1-NH2 3.37Å; G483-R574 WeakPolarHBondContact CA-O 3.06Å; I570-R574 HydrophobicContact CD1-CG 4.39Å; R574-E576 VanDerWaalsContact C-N 3.29Å; R574-E576 PolarHBondContact O-N 3.43Å
575	K	95.8	Very high	94.5	Very high	182 Å²	182	70.5 Å²	70.5	79%	0.791	36%	0.357	S	S	*	.	S	Bend	trans	-68.8	-28.5	-179	-62.7	-178.4	-178.2	175.5	0	113.4	E572 P573	E572-K575 WeakPolarHBondContact OE1-CE 3.32Å; E572-K575 IonicContact OE1-NZ 2.72Å; P573-K575 PolarHBondContact O-N 3.13Å
576	E	92.1	Very high	93.9	Very high	168 Å²	168	72.9 Å²	72.9	79%	0.785	37%	0.367	S	S	*	.	S	Bend	trans	-114.3	131.3	179.2	-65.4	-179.5	-176.7	0	0	109.4	R574	R574-E576 VanDerWaalsContact C-N 3.29Å; R574-E576 PolarHBondContact O-N 3.43Å
577	L	93.3	Very high	93.6	Very high	33 Å²	33	74.3 Å²	74.3	17%	0.173	37%	0.374	C	S	.	.			trans	-66.3	150.6	171.2	-56.1	-178.9	0	0	0	110.3	L385 F450 Y452 A482 A581 K583	L385-L577 HydrophobicContact CD1-CD1 4.36Å; L385-L577 HydrophobicContact CD1-CD2 4.04Å; F450-L577 HydrophobicContact CE2-CD1 4.46Å; F450-L577 HydrophobicContact CE2-CD2 3.95Å; F450-L577 HydrophobicContact CZ-CD2 3.95Å; Y452-L577 HydrophobicContact CE1-CD1 4.45Å; Y452-L577 HydrophobicContact CE2-CD1 4.07Å; Y452-L577 WeakPolarHBondContact OH-CD1 3.24Å; A482-L577 WeakPolarHBondContact O-CD2 3.44Å; L577-A581 HydrophobicContact CB-CB 4.28Å; L577-K583 PolarHBondContact O-NZ 2.88Å
578	S	89.7	Confident	93.2	Very high	18 Å²	18	78.7 Å²	78.7	13%	0.126	39%	0.391	C	S	.	.			trans	-43.5	141.5	173	173.4	0	0	0	0	112.3	H367 Y580 A581 K583	H367-S578 WeakPolarHBondContact O-CB 3.39Å; S578-Y580 PolarHBondContact O-N 3.19Å; S578-Y580 VanDerWaalsContact O-N 3.14Å; S578-Y580 PolarHBondContact OG-N 2.86Å; S578-A581 WeakPolarHBondContact O-CB 3.5Å; S578-A581 PolarHBondContact O-N 2.86Å; S578-K583 PolarHBondContact O-NZ 2.73Å
579	P	87.7	Confident	92.9	Very high	101 Å²	101	71.5 Å²	71.5	66%	0.656	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.7	174.6	27.9	-35.9	0	0	0	112.7
580	Y	90.8	Very high	92.5	Very high	107 Å²	107	72.5 Å²	72.5	42%	0.42	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-14.4	175.9	-53	-66.2	0	0	0	113.1	P364 R365 H367 S578	P364-Y580 VanDerWaalsContact O-CE2 3.32Å; P364-Y580 WeakPolarHBondContact O-CE2 3.44Å; R365-Y580 HydrophobicContact CG-CE2 4.37Å; H367-Y580 PolarHBondContact NE2-O 3.27Å; S578-Y580 PolarHBondContact O-N 3.19Å; S578-Y580 VanDerWaalsContact O-N 3.14Å; S578-Y580 PolarHBondContact OG-N 2.86Å
581	A	92.2	Very high	92	Very high	1 Å²	1	74.7 Å²	74.7	1%	0.008	38%	0.377	C	S	.	.	S	Bend	trans	-70	138.9	174.6	0	0	0	0	0	110.1	H367 L385 L577 S578 K583	H367-A581 HydrophobicContact CB-CB 4.27Å; H367-A581 WeakPolarHBondContact NE2-CA 3.43Å; L385-A581 HydrophobicContact CD1-CB 4.27Å; L577-A581 HydrophobicContact CB-CB 4.28Å; S578-A581 WeakPolarHBondContact O-CB 3.5Å; S578-A581 PolarHBondContact O-N 2.86Å; A581-K583 PolarHBondContact O-N 3.08Å
582	P	90.9	Very high	91.5	Very high	22 Å²	22	76.9 Å²	76.9	14%	0.143	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-57.8	139.3	170	25.7	-31.5	0	0	0	108.6	L385 Y452	L385-P582 WeakPolarHBondContact O-CD 3.42Å; Y452-P582 HydrophobicContact CE1-CG 4.27Å; Y452-P582 VanDerWaalsContact CE1-O 3.27Å; Y452-P582 WeakPolarHBondContact CE1-O 3.16Å; Y452-P582 PolarHBondContact OH-O 3.14Å; Y452-P582 VanDerWaalsContact OH-O 3.12Å
583	K	89.8	Confident	91.1	Very high	68 Å²	68	73.6 Å²	73.6	30%	0.296	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	138.7	165.9	-54.4	-52.4	-177.4	-168.8	0	107.3	L577 S578 A581 A627 S628 I634	L577-K583 PolarHBondContact O-NZ 2.88Å; S578-K583 PolarHBondContact O-NZ 2.73Å; A581-K583 PolarHBondContact O-N 3.08Å; K583-A627 VanDerWaalsContact O-CA 3.27Å; K583-A627 WeakPolarHBondContact O-CA 3.42Å; K583-S628 PolarHBondContact N-O 3.21Å; K583-S628 PolarHBondContact O-N 3.16Å; K583-I634 HydrophobicContact CB-CD1 3.75Å; K583-I634 WeakPolarHBondContact O-CD1 3.18Å
584	I	89.8	Confident	90.7	Very high	17 Å²	17	73.1 Å²	73.1	9%	0.087	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.3	179	-60.3	-178.3	0	0	0	107.3	P387 P451 Y452 M586 S625 I626 A627	P387-I584 HydrophobicContact CB-CD1 4.4Å; P451-I584 HydrophobicContact CB-CG2 4.44Å; P451-I584 HydrophobicContact CG-CG2 4.02Å; P451-I584 WeakPolarHBondContact O-CD1 3.5Å; Y452-I584 HydrophobicContact CD1-CD1 3.34Å; Y452-I584 HydrophobicContact CD1-CG1 4.15Å; Y452-I584 HydrophobicContact CD2-CD1 4.23Å; Y452-I584 HydrophobicContact CE1-CB 4.27Å; Y452-I584 HydrophobicContact CE1-CD1 3.23Å; Y452-I584 HydrophobicContact CE1-CG1 3.5Å; Y452-I584 HydrophobicContact CE2-CB 4.3Å; Y452-I584 HydrophobicContact CE2-CD1 4.12Å; Y452-I584 HydrophobicContact CE2-CG1 4.37Å; Y452-I584 HydrophobicContact CG-CD1 3.86Å; Y452-I584 PolarHBondContact OH-N 3.21Å; Y452-I584 VanDerWaalsContact OH-N 3.16Å; I584-M586 HydrophobicContact CG2-SD 4.19Å; I584-S625 VanDerWaalsContact CG2-OG 3.24Å; I584-S625 WeakPolarHBondContact CG2-OG 3.32Å; I584-I626 WeakPolarHBondContact CA-O 3.19Å; I584-A627 HydrophobicContact CD1-CB 4.35Å; I584-A627 HydrophobicContact CG1-CB 3.75Å
585	E	88.4	Confident	90.3	Very high	103 Å²	103	75.6 Å²	75.6	48%	0.481	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134	168.2	-69	-71	169.1	0	0	108.2	I626 I634 I638	E585-I626 PolarHBondContact N-O 2.82Å; E585-I626 PolarHBondContact O-N 3.09Å; E585-I634 HydrophobicContact CB-CG2 3.67Å; E585-I634 HydrophobicContact CG-CG2 3.56Å; E585-I638 HydrophobicContact CB-CD1 3.73Å; E585-I638 HydrophobicContact CG-CD1 4.15Å
586	M	87.5	Confident	90	Very high	80 Å²	80	69.9 Å²	69.9	39%	0.394	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.6	175.5	-63.9	-61.8	-65.6	0	0	108.8	P451 I584 N623 V624 S625	P451-M586 HydrophobicContact CB-CG 3.97Å; P451-M586 HydrophobicContact CB-SD 3.89Å; P451-M586 HydrophobicContact CG-CG 3.78Å; P451-M586 HydrophobicContact CG-SD 4.24Å; I584-M586 HydrophobicContact CG2-SD 4.19Å; M586-N623 HydrophobicContact CE-CB 4.11Å; M586-V624 WeakPolarHBondContact CA-O 3.28Å; M586-S625 WeakPolarHBondContact SD-CA 3.43Å; M586-S625 WeakPolarHBondContact SD-CB 3.45Å; M586-S625 PolarHBondContact SD-OG 3.39Å; M586-S625 VanDerWaalsContact SD-OG 3.41Å
587	I	91.5	Very high	89.9	Confident	29 Å²	29	61.9 Å²	61.9	15%	0.149	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.8	167.8	65.7	175.8	0	0	0	109.1	V624 I626 I638 I641	I587-V624 HydrophobicContact CD1-CB 4.44Å; I587-V624 HydrophobicContact CG1-CB 3.75Å; I587-V624 HydrophobicContact CG1-CG1 4.35Å; I587-V624 HydrophobicContact CG1-CG2 4.35Å; I587-V624 PolarHBondContact N-O 3.37Å; I587-V624 PolarHBondContact O-N 2.85Å; I587-I626 HydrophobicContact CD1-CD1 4.03Å; I587-I626 HydrophobicContact CG1-CD1 4.35Å; I587-I638 HydrophobicContact CD1-CG1 4.45Å; I587-I638 HydrophobicContact CD1-CG2 4.32Å; I587-I638 HydrophobicContact CG2-CD1 4.2Å; I587-I638 HydrophobicContact CG2-CG1 4.08Å; I587-I638 HydrophobicContact CG2-CG2 4.05Å; I587-I641 HydrophobicContact CD1-CB 4.1Å; I587-I641 HydrophobicContact CD1-CD1 4.45Å; I587-I641 HydrophobicContact CD1-CG2 3.75Å
588	Q	91	Very high	89.8	Confident	146 Å²	146	63.4 Å²	63.4	68%	0.682	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	132	173.8	-165.3	177.2	20.4	0	0	109.6	G622	Q588-G622 WeakPolarHBondContact CA-O 3.49Å
589	I	92	Very high	89.8	Confident	10 Å²	10	63.4 Å²	63.4	5%	0.051	32%	0.324	C	S	.	.			trans	-115.6	159.1	172	65.8	171.9	0	0	0	109.5	P591 I594 V597 G622 V624 I641 T645	I589-P591 WeakPolarHBondContact O-CD 3.47Å; I589-I594 HydrophobicContact CD1-CG1 4.17Å; I589-V597 HydrophobicContact CD1-CB 4.45Å; I589-V597 HydrophobicContact CD1-CG2 3.71Å; I589-G622 WeakPolarHBondContact CG1-O 3.27Å; I589-G622 PolarHBondContact N-O 3.4Å; I589-V624 HydrophobicContact CD1-CG2 3.91Å; I589-V624 HydrophobicContact CG1-CG2 3.89Å; I589-V624 HydrophobicContact CG2-CG2 4.19Å; I589-I641 HydrophobicContact CG2-CG2 3.91Å; I589-T645 HydrophobicContact CB-CG2 4Å; I589-T645 HydrophobicContact CD1-CG2 4.08Å; I589-T645 HydrophobicContact CG2-CG2 3.79Å
590	D	88.8	Confident	89.8	Confident	67 Å²	67	67.7 Å²	67.7	36%	0.358	33%	0.333	S	S	.	.			trans	-59.6	127.2	169.6	177.6	-19.6	0	0	0	109.5	D592 K593	D590-D592 PolarHBondContact O-N 3.28Å; D590-D592 VanDerWaalsContact O-N 3.08Å; D590-D592 WeakPolarHBondContact OD1-CB 3.37Å; D590-D592 PolarHBondContact OD1-N 3.02Å; D590-K593 HydrophobicContact CB-CG 3.97Å; D590-K593 WeakPolarHBondContact O-CA 3.48Å; D590-K593 VanDerWaalsContact O-CB 3.31Å; D590-K593 WeakPolarHBondContact O-CB 3.45Å; D590-K593 PolarHBondContact O-N 3.4Å
591	P	89	Confident	89.7	Confident	65 Å²	65	66.7 Å²	66.7	42%	0.422	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-48.6	-34.3	177.6	-28.8	33	0	0	0	114.3	I589 K593 I594 E621	I589-P591 WeakPolarHBondContact O-CD 3.47Å; P591-K593 PolarHBondContact O-N 3.4Å; P591-K593 VanDerWaalsContact O-N 3.14Å; P591-I594 HydrophobicContact CB-CD1 4.23Å; P591-I594 WeakPolarHBondContact O-CB 3.5Å; P591-I594 WeakPolarHBondContact O-CD1 3.41Å; P591-I594 VanDerWaalsContact O-CG1 3.29Å; P591-I594 WeakPolarHBondContact O-CG1 3.43Å; P591-I594 PolarHBondContact O-N 3.39Å; P591-E621 WeakPolarHBondContact CG-O 3.37Å
592	D	87.9	Confident	89.5	Confident	129 Å²	129	67 Å²	67	69%	0.69	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-66.2	-17.1	178.2	-77.6	-19.3	0	0	0	112.8	D590	D590-D592 PolarHBondContact O-N 3.28Å; D590-D592 VanDerWaalsContact O-N 3.08Å; D590-D592 WeakPolarHBondContact OD1-CB 3.37Å; D590-D592 PolarHBondContact OD1-N 3.02Å
593	K	88.8	Confident	89.6	Confident	42 Å²	42	70.5 Å²	70.5	18%	0.183	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-93.7	-8.9	178.7	-54.3	-59.1	178.1	-134.7	0	113.9	D590 P591 K595 T596 V597 T645	D590-K593 HydrophobicContact CB-CG 3.97Å; D590-K593 WeakPolarHBondContact O-CA 3.48Å; D590-K593 VanDerWaalsContact O-CB 3.31Å; D590-K593 WeakPolarHBondContact O-CB 3.45Å; D590-K593 PolarHBondContact O-N 3.4Å; P591-K593 PolarHBondContact O-N 3.4Å; P591-K593 VanDerWaalsContact O-N 3.14Å; K593-K595 PolarHBondContact O-N 3.47Å; K593-K595 VanDerWaalsContact O-N 3.16Å; K593-T596 WeakPolarHBondContact O-CA 3.46Å; K593-T596 VanDerWaalsContact O-CB 3.28Å; K593-T596 WeakPolarHBondContact O-CB 3.4Å; K593-T596 PolarHBondContact O-N 2.74Å; K593-V597 PolarHBondContact O-N 2.96Å; K593-V597 VanDerWaalsContact O-N 3.12Å; K593-T645 HydrophobicContact CB-CG2 3.75Å; K593-T645 HydrophobicContact CG-CG2 4.42Å
594	I	89.7	Confident	89.7	Confident	25 Å²	25	69.2 Å²	69.2	13%	0.128	37%	0.374	C	S	.	.	H	α-helix	trans	-50.7	-44.8	176.2	-66	165.5	0	0	0	110.4	I589 P591 T596 V597 I598 I618 D619	I589-I594 HydrophobicContact CD1-CG1 4.17Å; P591-I594 HydrophobicContact CB-CD1 4.23Å; P591-I594 WeakPolarHBondContact O-CB 3.5Å; P591-I594 WeakPolarHBondContact O-CD1 3.41Å; P591-I594 VanDerWaalsContact O-CG1 3.29Å; P591-I594 WeakPolarHBondContact O-CG1 3.43Å; P591-I594 PolarHBondContact O-N 3.39Å; I594-T596 VanDerWaalsContact C-N 3.26Å; I594-T596 PolarHBondContact O-N 2.77Å; I594-V597 PolarHBondContact O-N 3.02Å; I594-I598 HydrophobicContact CG2-CD1 3.56Å; I594-I598 HydrophobicContact CG2-CG1 4.22Å; I594-I598 WeakPolarHBondContact O-CG1 3.42Å; I594-I598 PolarHBondContact O-N 3.39Å; I594-I618 HydrophobicContact CB-CG2 4.48Å; I594-I618 HydrophobicContact CG1-CG2 3.95Å; I594-I618 HydrophobicContact CG2-CG2 3.95Å; I594-D619 WeakPolarHBondContact CD1-O 3.09Å
595	K	89.2	Confident	89.9	Confident	174 Å²	174	69.5 Å²	69.5	76%	0.757	38%	0.375	S	S	*	.	H	α-helix	trans	-61.7	-29.9	177.3	-66.7	178.3	-176.9	168.3	0	113.9	K593 G599	K593-K595 PolarHBondContact O-N 3.47Å; K593-K595 VanDerWaalsContact O-N 3.16Å; K595-G599 WeakPolarHBondContact O-CA 3.28Å; K595-G599 PolarHBondContact O-N 3.41Å
596	T	89.1	Confident	90.2	Very high	63 Å²	63	69 Å²	69	39%	0.387	38%	0.376	S	S	.	.	H	α-helix	trans	-73.9	-41.5	178.3	-54.8	0	0	0	0	110.6	K593 I594	K593-T596 WeakPolarHBondContact O-CA 3.46Å; K593-T596 VanDerWaalsContact O-CB 3.28Å; K593-T596 WeakPolarHBondContact O-CB 3.4Å; K593-T596 PolarHBondContact O-N 2.74Å; I594-T596 VanDerWaalsContact C-N 3.26Å; I594-T596 PolarHBondContact O-N 2.77Å
597	V	91.5	Very high	90.5	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-69.9	-43	177.9	-178.3	0	0	0	0	111.2	I589 K593 I594 T604 I605 I618 I641 T645	I589-V597 HydrophobicContact CD1-CB 4.45Å; I589-V597 HydrophobicContact CD1-CG2 3.71Å; K593-V597 PolarHBondContact O-N 2.96Å; K593-V597 VanDerWaalsContact O-N 3.12Å; I594-V597 PolarHBondContact O-N 3.02Å; V597-T604 VanDerWaalsContact O-CB 3.27Å; V597-T604 WeakPolarHBondContact O-CB 3.44Å; V597-T604 VanDerWaalsContact O-CG2 3.29Å; V597-T604 WeakPolarHBondContact O-CG2 3.35Å; V597-I605 PolarHBondContact O-N 3.22Å; V597-I605 VanDerWaalsContact O-N 3.16Å; V597-I618 HydrophobicContact CB-CD1 4.06Å; V597-I618 HydrophobicContact CG1-CD1 3.52Å; V597-I641 HydrophobicContact CG1-CG1 4.06Å; V597-I641 HydrophobicContact CG1-CG2 4.38Å; V597-I641 HydrophobicContact CG2-CG2 4.01Å; V597-T645 HydrophobicContact CG2-CG2 3.46Å; V597-T645 VanDerWaalsContact CG2-CG2 3.46Å
598	I	91.1	Very high	90.7	Very high	65 Å²	65	65.6 Å²	65.6	33%	0.333	37%	0.367	S	S	.	.	H	α-helix	trans	-65.5	-46.1	175.4	-64	175.1	0	0	0	110.4	I594 G602 T604 I605 I618	I594-I598 HydrophobicContact CG2-CD1 3.56Å; I594-I598 HydrophobicContact CG2-CG1 4.22Å; I594-I598 WeakPolarHBondContact O-CG1 3.42Å; I594-I598 PolarHBondContact O-N 3.39Å; I598-G602 CarbonylContact O-C 3.27Å; I598-G602 WeakPolarHBondContact O-CA 3.32Å; I598-T604 PolarHBondContact O-N 2.8Å; I598-I605 HydrophobicContact CG2-CG2 4.4Å; I598-I605 PolarHBondContact O-N 3.42Å; I598-I618 HydrophobicContact CG1-CD1 4.44Å
599	G	89	Confident	90.8	Very high	18 Å²	18	61.3 Å²	61.3	19%	0.186	35%	0.348	C	S	.	.			trans	78.3	179.6	-175.3	0	0	0	0	0	113.5	K595 G601 G602 D603 T604	K595-G599 WeakPolarHBondContact O-CA 3.28Å; K595-G599 PolarHBondContact O-N 3.41Å; G599-G601 PolarHBondContact O-N 2.75Å; G599-G601 VanDerWaalsContact O-N 3.12Å; G599-G602 PolarHBondContact O-N 3.12Å; G599-D603 WeakPolarHBondContact CA-OD1 3.38Å; G599-T604 WeakPolarHBondContact CA-OG1 3.47Å
600	K	88.7	Confident	91	Very high	191 Å²	191	69.1 Å²	69.1	83%	0.83	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-74	107.1	-177.4	-176.1	-175.7	176.2	-174.6	0	109.5	G602 D603	K600-G602 VanDerWaalsContact C-N 3.25Å; K600-G602 PolarHBondContact O-N 2.97Å; K600-D603 PolarHBondContact N-OD1 3.39Å
601	G	87.1	Confident	91.2	Very high	85 Å²	85	71.3 Å²	71.3	88%	0.876	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	71	21.7	-178.5	0	0	0	0	0	113.4	G599	G599-G601 PolarHBondContact O-N 2.75Å; G599-G601 VanDerWaalsContact O-N 3.12Å
602	G	89.1	Confident	91.5	Very high	9 Å²	9	68.6 Å²	68.6	9%	0.093	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	85.1	8.8	179.4	0	0	0	0	0	114.9	I598 G599 K600 T604 I605 N606	I598-G602 CarbonylContact O-C 3.27Å; I598-G602 WeakPolarHBondContact O-CA 3.32Å; G599-G602 PolarHBondContact O-N 3.12Å; K600-G602 VanDerWaalsContact C-N 3.25Å; K600-G602 PolarHBondContact O-N 2.97Å; G602-T604 PolarHBondContact O-N 2.88Å; G602-I605 WeakPolarHBondContact O-CG2 3.48Å; G602-N606 WeakPolarHBondContact O-CB 3.23Å; G602-N606 PolarHBondContact O-N 3.41Å; G602-N606 PolarHBondContact O-ND2 3.05Å
603	D	92.8	Very high	91.7	Very high	95 Å²	95	65.3 Å²	65.3	51%	0.508	37%	0.371	S	S	.	.	H	α-helix	trans	-60.2	-44.8	-175.8	61.5	-15.9	0	0	0	113.6	G599 K600 G607	G599-D603 WeakPolarHBondContact CA-OD1 3.38Å; K600-D603 PolarHBondContact N-OD1 3.39Å; D603-G607 PolarHBondContact O-N 3.46Å
604	T	92.9	Very high	91.9	Very high	41 Å²	41	63.4 Å²	63.4	25%	0.252	36%	0.363	S	S	.	.	H	α-helix	trans	-64.1	-52.4	178.8	-57.9	0	0	0	0	111.4	V597 I598 G599 G602 N606 G607 I608 L644	V597-T604 VanDerWaalsContact O-CB 3.27Å; V597-T604 WeakPolarHBondContact O-CB 3.44Å; V597-T604 VanDerWaalsContact O-CG2 3.29Å; V597-T604 WeakPolarHBondContact O-CG2 3.35Å; I598-T604 PolarHBondContact O-N 2.8Å; G599-T604 WeakPolarHBondContact CA-OG1 3.47Å; G602-T604 PolarHBondContact O-N 2.88Å; T604-N606 PolarHBondContact O-N 3.39Å; T604-G607 PolarHBondContact O-N 3.24Å; T604-G607 VanDerWaalsContact O-N 3.16Å; T604-I608 HydrophobicContact CG2-CD1 4.33Å; T604-I608 WeakPolarHBondContact O-CG1 3.48Å; T604-I608 PolarHBondContact O-N 3.16Å; T604-L644 HydrophobicContact CG2-CD1 3.6Å
605	I	93.2	Very high	92	Very high	22 Å²	22	67.4 Å²	67.4	11%	0.113	38%	0.379	C	S	.	.	H	α-helix	trans	-65.2	-40.5	-177.3	-167.4	170.1	0	0	0	111.3	V597 I598 G602 G607 I608 I609 I616 I618	V597-I605 PolarHBondContact O-N 3.22Å; V597-I605 VanDerWaalsContact O-N 3.16Å; I598-I605 HydrophobicContact CG2-CG2 4.4Å; I598-I605 PolarHBondContact O-N 3.42Å; G602-I605 WeakPolarHBondContact O-CG2 3.48Å; I605-G607 VanDerWaalsContact C-N 3.3Å; I605-G607 PolarHBondContact O-N 3.18Å; I605-I608 PolarHBondContact O-N 3.36Å; I605-I609 HydrophobicContact CG1-CD1 4.09Å; I605-I609 VanDerWaalsContact O-CG1 3.3Å; I605-I609 WeakPolarHBondContact O-CG1 3.46Å; I605-I609 PolarHBondContact O-N 2.94Å; I605-I616 HydrophobicContact CD1-CB 4.08Å; I605-I616 HydrophobicContact CD1-CG2 3.98Å; I605-I616 HydrophobicContact CG1-CB 4.25Å; I605-I616 HydrophobicContact CG1-CD1 4.22Å; I605-I616 HydrophobicContact CG1-CG2 4.4Å; I605-I618 HydrophobicContact CD1-CD1 3.96Å; I605-I618 HydrophobicContact CD1-CG1 4.44Å
606	N	93.8	Very high	92.1	Very high	93 Å²	93	60.1 Å²	60.1	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-37.3	174.8	-71.2	-28.6	0	0	0	111.6	G602 T604 I609 E610	G602-N606 WeakPolarHBondContact O-CB 3.23Å; G602-N606 PolarHBondContact O-N 3.41Å; G602-N606 PolarHBondContact O-ND2 3.05Å; T604-N606 PolarHBondContact O-N 3.39Å; N606-I609 PolarHBondContact O-N 3.33Å; N606-E610 WeakPolarHBondContact O-CB 3.44Å; N606-E610 PolarHBondContact O-N 3.32Å
607	G	95.1	Very high	92.1	Very high	32 Å²	32	60.6 Å²	60.6	33%	0.33	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-39.4	174.2	0	0	0	0	0	113.1	D603 T604 I605 E611	D603-G607 PolarHBondContact O-N 3.46Å; T604-G607 PolarHBondContact O-N 3.24Å; T604-G607 VanDerWaalsContact O-N 3.16Å; I605-G607 VanDerWaalsContact C-N 3.3Å; I605-G607 PolarHBondContact O-N 3.18Å; G607-E611 VanDerWaalsContact O-CB 3.26Å; G607-E611 WeakPolarHBondContact O-CB 3.48Å; G607-E611 PolarHBondContact O-N 3.2Å
608	I	94.7	Very high	92.1	Very high	6 Å²	6	62 Å²	62	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-64.5	-45.5	174.3	-59.3	167.2	0	0	0	109.9	T604 I605 E611 T612 I616 A637 I640 I641 L644	T604-I608 HydrophobicContact CG2-CD1 4.33Å; T604-I608 WeakPolarHBondContact O-CG1 3.48Å; T604-I608 PolarHBondContact O-N 3.16Å; I605-I608 PolarHBondContact O-N 3.36Å; I608-E611 PolarHBondContact O-N 3.47Å; I608-T612 HydrophobicContact CG2-CG2 4.46Å; I608-T612 WeakPolarHBondContact O-CB 3.47Å; I608-T612 WeakPolarHBondContact O-CG2 3.37Å; I608-T612 PolarHBondContact O-N 2.84Å; I608-T612 PolarHBondContact O-OG1 2.71Å; I608-I616 HydrophobicContact CB-CD1 4.09Å; I608-I616 HydrophobicContact CG2-CD1 3.63Å; I608-A637 HydrophobicContact CG2-CB 3.94Å; I608-I640 HydrophobicContact CD1-CG2 3.93Å; I608-I640 HydrophobicContact CG1-CG2 3.79Å; I608-I640 HydrophobicContact CG2-CD1 4.46Å; I608-I641 HydrophobicContact CD1-CG1 4.01Å; I608-L644 HydrophobicContact CD1-CD1 3.97Å
609	I	94	Very high	91.9	Very high	56 Å²	56	61.7 Å²	61.7	29%	0.287	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-43.7	179	-69.2	167.7	0	0	0	110.7	I605 N606 E611 G613 V614 I616	I605-I609 HydrophobicContact CG1-CD1 4.09Å; I605-I609 VanDerWaalsContact O-CG1 3.3Å; I605-I609 WeakPolarHBondContact O-CG1 3.46Å; I605-I609 PolarHBondContact O-N 2.94Å; N606-I609 PolarHBondContact O-N 3.33Å; I609-E611 PolarHBondContact O-N 2.99Å; I609-G613 VanDerWaalsContact O-CA 3.23Å; I609-G613 WeakPolarHBondContact O-CA 3.48Å; I609-G613 PolarHBondContact O-N 3.16Å; I609-V614 WeakPolarHBondContact CG2-O 3.13Å; I609-I616 HydrophobicContact CD1-CG1 4.5Å; I609-I616 HydrophobicContact CG1-CD1 4Å; I609-I616 HydrophobicContact CG1-CG1 4.02Å
610	E	94.9	Very high	91.8	Very high	174 Å²	174	69.5 Å²	69.5	81%	0.813	39%	0.386	S	S	*	.	H	α-helix	trans	-64.9	-38.9	176.9	-172.8	176.7	-172.9	0	0	111.8	N606	N606-E610 WeakPolarHBondContact O-CB 3.44Å; N606-E610 PolarHBondContact O-N 3.32Å
611	E	94.5	Very high	91.8	Very high	113 Å²	113	66.7 Å²	66.7	53%	0.528	38%	0.376	S	S	.	.	H	α-helix	trans	-74.3	-30	-179	-179.5	174.8	174	0	0	113.8	G607 I608 I609 K636	G607-E611 VanDerWaalsContact O-CB 3.26Å; G607-E611 WeakPolarHBondContact O-CB 3.48Å; G607-E611 PolarHBondContact O-N 3.2Å; I608-E611 PolarHBondContact O-N 3.47Å; I609-E611 PolarHBondContact O-N 2.99Å; E611-K636 VanDerWaalsContact CG-NZ 3.27Å; E611-K636 WeakPolarHBondContact OE1-CE 3.5Å; E611-K636 IonicContact OE1-NZ 3.13Å; E611-K636 PolarHBondContact OE1-NZ 3.14Å
612	T	94.7	Very high	91.8	Very high	8 Å²	8	62.7 Å²	62.7	5%	0.049	34%	0.335	C	S	.	.	H	α-helix	trans	-116.5	-18.2	-171.1	63.6	0	0	0	0	113.8	I608 V614 M633 K636 A637 I640	I608-T612 HydrophobicContact CG2-CG2 4.46Å; I608-T612 WeakPolarHBondContact O-CB 3.47Å; I608-T612 WeakPolarHBondContact O-CG2 3.37Å; I608-T612 PolarHBondContact O-N 2.84Å; I608-T612 PolarHBondContact O-OG1 2.71Å; T612-V614 PolarHBondContact O-N 3.13Å; T612-V614 VanDerWaalsContact OG1-CG2 3.25Å; T612-V614 WeakPolarHBondContact OG1-CG2 3.22Å; T612-M633 VanDerWaalsContact O-CB 3.25Å; T612-M633 WeakPolarHBondContact O-CB 3.31Å; T612-M633 VanDerWaalsContact O-CG 3.25Å; T612-M633 WeakPolarHBondContact O-CG 3.48Å; T612-K636 HydrophobicContact CG2-CB 4.28Å; T612-K636 HydrophobicContact CG2-CD 4.02Å; T612-K636 HydrophobicContact CG2-CG 4.03Å; T612-A637 HydrophobicContact CG2-CB 4.18Å; T612-I640 HydrophobicContact CG2-CD1 4.25Å
613	G	91.4	Very high	91.8	Very high	59 Å²	59	64.2 Å²	64.2	61%	0.608	34%	0.341	S	S	*	.			trans	68.3	11.2	-176.2	0	0	0	0	0	114.6	I609	I609-G613 VanDerWaalsContact O-CA 3.23Å; I609-G613 WeakPolarHBondContact O-CA 3.48Å; I609-G613 PolarHBondContact O-N 3.16Å
614	V	94.1	Very high	91.8	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.012	32%	0.317	C	S	.	.			trans	-80.1	161.7	178.2	-51.2	0	0	0	0	111	I609 T612 I616 I626 A627 M633 I634 A637	I609-V614 WeakPolarHBondContact CG2-O 3.13Å; T612-V614 PolarHBondContact O-N 3.13Å; T612-V614 VanDerWaalsContact OG1-CG2 3.25Å; T612-V614 WeakPolarHBondContact OG1-CG2 3.22Å; V614-I616 HydrophobicContact CG2-CD1 3.89Å; V614-I616 HydrophobicContact CG2-CG1 3.58Å; V614-I626 HydrophobicContact CB-CG2 3.98Å; V614-I626 HydrophobicContact CG1-CG2 4.21Å; V614-I626 HydrophobicContact CG2-CG2 3.87Å; V614-A627 CarbonylContact C-O 3.47Å; V614-A627 WeakPolarHBondContact CA-O 3.34Å; V614-M633 HydrophobicContact CG1-CB 3.96Å; V614-I634 HydrophobicContact CG1-CG1 4.4Å; V614-A637 HydrophobicContact CG1-CB 4.24Å; V614-A637 HydrophobicContact CG2-CB 3.85Å
615	K	91.4	Very high	91.7	Very high	109 Å²	109	58 Å²	58	47%	0.474	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.1	162.1	-69.9	179.5	173.1	-174.4	0	108.9	P387 E390 I626 A627	P387-K615 HydrophobicContact CG-CD 4.05Å; E390-K615 IonicContact OE1-NZ 2.71Å; E390-K615 PolarHBondContact OE1-NZ 3.39Å; K615-I626 WeakPolarHBondContact O-CA 3.35Å; K615-A627 HydrophobicContact CB-CB 4.4Å; K615-A627 PolarHBondContact N-O 2.78Å; K615-A627 PolarHBondContact O-N 3.05Å
616	I	91.7	Very high	91.6	Very high	21 Å²	21	57 Å²	57	11%	0.108	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.2	-180	-50.3	-179.1	0	0	0	107.8	I605 I608 I609 V614 I618 V624 S625 I626 I641	I605-I616 HydrophobicContact CD1-CB 4.08Å; I605-I616 HydrophobicContact CD1-CG2 3.98Å; I605-I616 HydrophobicContact CG1-CB 4.25Å; I605-I616 HydrophobicContact CG1-CD1 4.22Å; I605-I616 HydrophobicContact CG1-CG2 4.4Å; I608-I616 HydrophobicContact CB-CD1 4.09Å; I608-I616 HydrophobicContact CG2-CD1 3.63Å; I609-I616 HydrophobicContact CD1-CG1 4.5Å; I609-I616 HydrophobicContact CG1-CD1 4Å; I609-I616 HydrophobicContact CG1-CG1 4.02Å; V614-I616 HydrophobicContact CG2-CD1 3.89Å; V614-I616 HydrophobicContact CG2-CG1 3.58Å; I616-I618 HydrophobicContact CG2-CD1 4.24Å; I616-I618 HydrophobicContact CG2-CG1 3.97Å; I616-V624 HydrophobicContact CG2-CG1 3.67Å; I616-S625 WeakPolarHBondContact CA-O 3.2Å; I616-I626 HydrophobicContact CG2-CG1 4.46Å; I616-I641 HydrophobicContact CD1-CD1 4.27Å; I616-I641 HydrophobicContact CG2-CD1 4.49Å
617	D	89.2	Confident	91.6	Very high	73 Å²	73	52.7 Å²	52.7	39%	0.39	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137	170.5	-165.1	80.8	0	0	0	108.5	V624 S625	D617-V624 CarbonylContact O-C 3.6Å; D617-V624 VanDerWaalsContact O-CA 3.31Å; D617-V624 WeakPolarHBondContact O-CA 3.45Å; D617-S625 PolarHBondContact N-O 3.12Å; D617-S625 PolarHBondContact O-N 3.5Å
618	I	90.1	Very high	91.3	Very high	29 Å²	29	52 Å²	52	15%	0.149	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.5	-178	-51.1	-179.2	0	0	0	108.1	I594 V597 I598 I605 I616 N623 V624	I594-I618 HydrophobicContact CB-CG2 4.48Å; I594-I618 HydrophobicContact CG1-CG2 3.95Å; I594-I618 HydrophobicContact CG2-CG2 3.95Å; V597-I618 HydrophobicContact CB-CD1 4.06Å; V597-I618 HydrophobicContact CG1-CD1 3.52Å; I598-I618 HydrophobicContact CG1-CD1 4.44Å; I605-I618 HydrophobicContact CD1-CD1 3.96Å; I605-I618 HydrophobicContact CD1-CG1 4.44Å; I616-I618 HydrophobicContact CG2-CD1 4.24Å; I616-I618 HydrophobicContact CG2-CG1 3.97Å; I618-N623 WeakPolarHBondContact CA-O 3.27Å; I618-V624 HydrophobicContact CB-CG2 4.49Å; I618-V624 HydrophobicContact CD1-CG1 4.38Å; I618-V624 HydrophobicContact CD1-CG2 4.3Å; I618-V624 HydrophobicContact CG1-CB 4.36Å; I618-V624 HydrophobicContact CG1-CG1 3.9Å; I618-V624 HydrophobicContact CG1-CG2 3.99Å; I618-V624 HydrophobicContact CG2-CG2 4.03Å
619	D	87.4	Confident	90.8	Very high	59 Å²	59	56.4 Å²	56.4	32%	0.316	30%	0.3	S	S	.	.			trans	-84.5	179.2	175.3	74.1	16.5	0	0	0	112.4	I594 E621 G622 N623	I594-D619 WeakPolarHBondContact CD1-O 3.09Å; D619-E621 VanDerWaalsContact C-N 3.26Å; D619-E621 PolarHBondContact O-N 3.1Å; D619-E621 WeakPolarHBondContact OD1-CA 3.42Å; D619-E621 PolarHBondContact OD1-N 3.1Å; D619-G622 PolarHBondContact O-N 3.26Å; D619-G622 PolarHBondContact OD1-N 2.98Å; D619-N623 PolarHBondContact N-O 3.16Å; D619-N623 VanDerWaalsContact N-O 3.08Å; D619-N623 PolarHBondContact OD1-N 3.42Å; D619-N623 VanDerWaalsContact OD2-CB 3.3Å; D619-N623 WeakPolarHBondContact OD2-CB 3.24Å; D619-N623 PolarHBondContact OD2-ND2 2.74Å
620	Q	87.4	Confident	90.5	Very high	182 Å²	182	57 Å²	57	85%	0.85	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.1	-179.3	-63.2	-173.1	9.8	0	0	113.6	G622	Q620-G622 VanDerWaalsContact C-N 3.33Å
621	E	87.8	Confident	90.1	Very high	133 Å²	133	50.9 Å²	50.9	62%	0.621	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.5	179.2	-59.6	-174.9	176.8	0	0	112.1	P591 D619	P591-E621 WeakPolarHBondContact CG-O 3.37Å; D619-E621 VanDerWaalsContact C-N 3.26Å; D619-E621 PolarHBondContact O-N 3.1Å; D619-E621 WeakPolarHBondContact OD1-CA 3.42Å; D619-E621 PolarHBondContact OD1-N 3.1Å
622	G	87.8	Confident	90	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.285	C	S	.	.			trans	85.4	15.1	178.5	0	0	0	0	0	113.3	Q588 I589 D619 Q620	Q588-G622 WeakPolarHBondContact CA-O 3.49Å; I589-G622 WeakPolarHBondContact CG1-O 3.27Å; I589-G622 PolarHBondContact N-O 3.4Å; D619-G622 PolarHBondContact O-N 3.26Å; D619-G622 PolarHBondContact OD1-N 2.98Å; Q620-G622 VanDerWaalsContact C-N 3.33Å
623	N	89.8	Confident	89.9	Confident	42 Å²	42	52.8 Å²	52.8	23%	0.225	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.2	168.9	-52	-56.2	0	0	0	108.5	M586 I618 D619	M586-N623 HydrophobicContact CE-CB 4.11Å; I618-N623 WeakPolarHBondContact CA-O 3.27Å; D619-N623 PolarHBondContact N-O 3.16Å; D619-N623 VanDerWaalsContact N-O 3.08Å; D619-N623 PolarHBondContact OD1-N 3.42Å; D619-N623 VanDerWaalsContact OD2-CB 3.3Å; D619-N623 WeakPolarHBondContact OD2-CB 3.24Å; D619-N623 PolarHBondContact OD2-ND2 2.74Å
624	V	91.1	Very high	89.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.9	-177.2	-175.5	0	0	0	0	108.9	M586 I587 I589 I616 D617 I618 I626 I641	M586-V624 WeakPolarHBondContact CA-O 3.28Å; I587-V624 HydrophobicContact CD1-CB 4.44Å; I587-V624 HydrophobicContact CG1-CB 3.75Å; I587-V624 HydrophobicContact CG1-CG1 4.35Å; I587-V624 HydrophobicContact CG1-CG2 4.35Å; I587-V624 PolarHBondContact N-O 3.37Å; I587-V624 PolarHBondContact O-N 2.85Å; I589-V624 HydrophobicContact CD1-CG2 3.91Å; I589-V624 HydrophobicContact CG1-CG2 3.89Å; I589-V624 HydrophobicContact CG2-CG2 4.19Å; I616-V624 HydrophobicContact CG2-CG1 3.67Å; D617-V624 CarbonylContact O-C 3.6Å; D617-V624 VanDerWaalsContact O-CA 3.31Å; D617-V624 WeakPolarHBondContact O-CA 3.45Å; I618-V624 HydrophobicContact CB-CG2 4.49Å; I618-V624 HydrophobicContact CD1-CG1 4.38Å; I618-V624 HydrophobicContact CD1-CG2 4.3Å; I618-V624 HydrophobicContact CG1-CB 4.36Å; I618-V624 HydrophobicContact CG1-CG1 3.9Å; I618-V624 HydrophobicContact CG1-CG2 3.99Å; I618-V624 HydrophobicContact CG2-CG2 4.03Å; V624-I626 HydrophobicContact CG1-CD1 4.18Å; V624-I626 HydrophobicContact CG1-CG1 3.88Å; V624-I641 HydrophobicContact CG1-CD1 4.06Å
625	S	90.6	Very high	89.9	Confident	5 Å²	5	56.3 Å²	56.3	4%	0.035	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.6	174.6	-169.6	0	0	0	0	110	I584 M586 I616 D617	I584-S625 VanDerWaalsContact CG2-OG 3.24Å; I584-S625 WeakPolarHBondContact CG2-OG 3.32Å; M586-S625 WeakPolarHBondContact SD-CA 3.43Å; M586-S625 WeakPolarHBondContact SD-CB 3.45Å; M586-S625 PolarHBondContact SD-OG 3.39Å; M586-S625 VanDerWaalsContact SD-OG 3.41Å; I616-S625 WeakPolarHBondContact CA-O 3.2Å; D617-S625 PolarHBondContact N-O 3.12Å; D617-S625 PolarHBondContact O-N 3.5Å
626	I	93	Very high	90.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.2	-178.9	-56.5	162.9	0	0	0	108.6	I584 E585 I587 V614 K615 I616 V624 I634 A637 I638 I641	I584-I626 WeakPolarHBondContact CA-O 3.19Å; E585-I626 PolarHBondContact N-O 2.82Å; E585-I626 PolarHBondContact O-N 3.09Å; I587-I626 HydrophobicContact CD1-CD1 4.03Å; I587-I626 HydrophobicContact CG1-CD1 4.35Å; V614-I626 HydrophobicContact CB-CG2 3.98Å; V614-I626 HydrophobicContact CG1-CG2 4.21Å; V614-I626 HydrophobicContact CG2-CG2 3.87Å; K615-I626 WeakPolarHBondContact O-CA 3.35Å; I616-I626 HydrophobicContact CG2-CG1 4.46Å; V624-I626 HydrophobicContact CG1-CD1 4.18Å; V624-I626 HydrophobicContact CG1-CG1 3.88Å; I626-I634 HydrophobicContact CB-CG2 4.23Å; I626-I634 HydrophobicContact CG2-CB 4.35Å; I626-I634 HydrophobicContact CG2-CG1 4.37Å; I626-I634 HydrophobicContact CG2-CG2 3.9Å; I626-A637 HydrophobicContact CG2-CB 3.94Å; I626-I638 HydrophobicContact CD1-CB 4.36Å; I626-I638 HydrophobicContact CD1-CG1 3.41Å; I626-I638 VanDerWaalsContact CD1-CG1 3.41Å; I626-I641 HydrophobicContact CD1-CD1 3.62Å; I626-I641 HydrophobicContact CG1-CD1 4.25Å
627	A	92	Very high	90.2	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.033	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133	-171.5	0	0	0	0	0	113.1	P387 K583 I584 V614 K615	P387-A627 HydrophobicContact CB-CB 3.81Å; P387-A627 HydrophobicContact CG-CB 3.45Å; P387-A627 VanDerWaalsContact CG-CB 3.45Å; K583-A627 VanDerWaalsContact O-CA 3.27Å; K583-A627 WeakPolarHBondContact O-CA 3.42Å; I584-A627 HydrophobicContact CD1-CB 4.35Å; I584-A627 HydrophobicContact CG1-CB 3.75Å; V614-A627 CarbonylContact C-O 3.47Å; V614-A627 WeakPolarHBondContact CA-O 3.34Å; K615-A627 HydrophobicContact CB-CB 4.4Å; K615-A627 PolarHBondContact N-O 2.78Å; K615-A627 PolarHBondContact O-N 3.05Å
628	S	90.6	Very high	90.5	Very high	17 Å²	17	51.3 Å²	51.3	12%	0.119	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	160.9	171.5	-176.5	0	0	0	0	111.1	K583 D630	K583-S628 PolarHBondContact N-O 3.21Å; K583-S628 PolarHBondContact O-N 3.16Å; S628-D630 PolarHBondContact OG-N 3.02Å; S628-D630 VanDerWaalsContact OG-N 3.1Å
629	S	83	Confident	90.7	Very high	99 Å²	99	55.9 Å²	55.9	69%	0.692	29%	0.288	S	S	*	.	S	Bend	trans	-73.3	-15.8	165.8	55.3	0	0	0	0	112.9
630	D	88	Confident	90.9	Very high	67 Å²	67	54.2 Å²	54.2	36%	0.358	28%	0.279	S	S	.	.			trans	-107.3	108.8	-179.8	-172.9	-24.7	0	0	0	111	S628 D632 M633 I634	S628-D630 PolarHBondContact OG-N 3.02Å; S628-D630 VanDerWaalsContact OG-N 3.1Å; D630-D632 VanDerWaalsContact C-N 3.28Å; D630-D632 PolarHBondContact O-N 3.42Å; D630-D632 WeakPolarHBondContact OD1-CB 3.47Å; D630-D632 PolarHBondContact OD1-N 2.84Å; D630-M633 HydrophobicContact CB-CB 4.19Å; D630-M633 HydrophobicContact CB-CG 4.06Å; D630-M633 PolarHBondContact O-N 3.23Å; D630-M633 PolarHBondContact OD1-N 3.03Å; D630-I634 PolarHBondContact O-N 3.43Å
631	A	86.5	Confident	91.2	Very high	46 Å²	46	45.6 Å²	45.6	38%	0.38	24%	0.238	S	C	.	.	H	α-helix	trans	-65.4	-27.2	-178.3	0	0	0	0	0	113.6	I634 K635	A631-I634 PolarHBondContact O-N 2.77Å; A631-K635 WeakPolarHBondContact O-CG 3.49Å; A631-K635 PolarHBondContact O-N 3.41Å; A631-K635 VanDerWaalsContact O-N 3.14Å
632	D	91.7	Very high	91.3	Very high	105 Å²	105	44.3 Å²	44.3	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-73.9	-34.7	178.7	-70.2	-29	0	0	0	110.8	D630 K635 K636	D630-D632 VanDerWaalsContact C-N 3.28Å; D630-D632 PolarHBondContact O-N 3.42Å; D630-D632 WeakPolarHBondContact OD1-CB 3.47Å; D630-D632 PolarHBondContact OD1-N 2.84Å; D632-K635 PolarHBondContact O-N 2.95Å; D632-K636 WeakPolarHBondContact O-CB 3.42Å; D632-K636 PolarHBondContact O-N 3.03Å
633	M	93.5	Very high	91.3	Very high	57 Å²	57	48.7 Å²	48.7	28%	0.281	25%	0.253	S	S	.	.	H	α-helix	trans	-67.6	-35.9	172.9	-68.2	-54.8	115.4	0	0	112.5	T612 V614 D630 K636 A637	T612-M633 VanDerWaalsContact O-CB 3.25Å; T612-M633 WeakPolarHBondContact O-CB 3.31Å; T612-M633 VanDerWaalsContact O-CG 3.25Å; T612-M633 WeakPolarHBondContact O-CG 3.48Å; V614-M633 HydrophobicContact CG1-CB 3.96Å; D630-M633 HydrophobicContact CB-CB 4.19Å; D630-M633 HydrophobicContact CB-CG 4.06Å; D630-M633 PolarHBondContact O-N 3.23Å; D630-M633 PolarHBondContact OD1-N 3.03Å; M633-K636 PolarHBondContact O-N 2.86Å; M633-K636 HydrophobicContact SD-CD 4.39Å; M633-A637 PolarHBondContact O-N 3.41Å
634	I	91.3	Very high	91	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-51.6	172.9	-63.4	172.9	0	0	0	110.4	K583 E585 V614 I626 D630 A631 K636 A637 I638	K583-I634 HydrophobicContact CB-CD1 3.75Å; K583-I634 WeakPolarHBondContact O-CD1 3.18Å; E585-I634 HydrophobicContact CB-CG2 3.67Å; E585-I634 HydrophobicContact CG-CG2 3.56Å; V614-I634 HydrophobicContact CG1-CG1 4.4Å; I626-I634 HydrophobicContact CB-CG2 4.23Å; I626-I634 HydrophobicContact CG2-CB 4.35Å; I626-I634 HydrophobicContact CG2-CG1 4.37Å; I626-I634 HydrophobicContact CG2-CG2 3.9Å; D630-I634 PolarHBondContact O-N 3.43Å; A631-I634 PolarHBondContact O-N 2.77Å; I634-K636 VanDerWaalsContact C-N 3.25Å; I634-K636 PolarHBondContact O-N 3.35Å; I634-A637 PolarHBondContact O-N 3.27Å; I634-A637 VanDerWaalsContact O-N 3.09Å; I634-I638 HydrophobicContact CG2-CD1 3.86Å; I634-I638 HydrophobicContact CG2-CG1 4.38Å; I634-I638 WeakPolarHBondContact O-CG1 3.4Å; I634-I638 PolarHBondContact O-N 2.85Å
635	K	94.1	Very high	90.7	Very high	131 Å²	131	48.7 Å²	48.7	57%	0.57	25%	0.253	S	S	*	.	H	α-helix	trans	-59.2	-38	177.9	-71	172.6	-174.8	167.1	0	112.2	A631 D632 K639	A631-K635 WeakPolarHBondContact O-CG 3.49Å; A631-K635 PolarHBondContact O-N 3.41Å; A631-K635 VanDerWaalsContact O-N 3.14Å; D632-K635 PolarHBondContact O-N 2.95Å; K635-K639 WeakPolarHBondContact O-CB 3.45Å; K635-K639 PolarHBondContact O-N 3.38Å
636	K	95.7	Very high	90.3	Very high	76 Å²	76	53.6 Å²	53.6	33%	0.33	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-45.8	175	-173.9	178.9	174.2	-164.7	0	111.3	E611 T612 D632 M633 I634 K639 I640	E611-K636 VanDerWaalsContact CG-NZ 3.27Å; E611-K636 WeakPolarHBondContact OE1-CE 3.5Å; E611-K636 IonicContact OE1-NZ 3.13Å; E611-K636 PolarHBondContact OE1-NZ 3.14Å; T612-K636 HydrophobicContact CG2-CB 4.28Å; T612-K636 HydrophobicContact CG2-CD 4.02Å; T612-K636 HydrophobicContact CG2-CG 4.03Å; D632-K636 WeakPolarHBondContact O-CB 3.42Å; D632-K636 PolarHBondContact O-N 3.03Å; M633-K636 PolarHBondContact O-N 2.86Å; M633-K636 HydrophobicContact SD-CD 4.39Å; I634-K636 VanDerWaalsContact C-N 3.25Å; I634-K636 PolarHBondContact O-N 3.35Å; K636-K639 PolarHBondContact O-N 2.94Å; K636-I640 HydrophobicContact CG-CD1 4.27Å; K636-I640 VanDerWaalsContact O-CG1 3.31Å; K636-I640 WeakPolarHBondContact O-CG1 3.16Å; K636-I640 PolarHBondContact O-N 3.38Å; K636-I640 VanDerWaalsContact O-N 3.09Å
637	A	94.7	Very high	89.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-45.1	176.9	0	0	0	0	0	112.2	I608 T612 V614 I626 M633 I634 K639 I640 I641	I608-A637 HydrophobicContact CG2-CB 3.94Å; T612-A637 HydrophobicContact CG2-CB 4.18Å; V614-A637 HydrophobicContact CG1-CB 4.24Å; V614-A637 HydrophobicContact CG2-CB 3.85Å; I626-A637 HydrophobicContact CG2-CB 3.94Å; M633-A637 PolarHBondContact O-N 3.41Å; I634-A637 PolarHBondContact O-N 3.27Å; I634-A637 VanDerWaalsContact O-N 3.09Å; A637-K639 VanDerWaalsContact C-N 3.33Å; A637-K639 PolarHBondContact O-N 3.48Å; A637-I640 PolarHBondContact O-N 3.25Å; A637-I641 WeakPolarHBondContact O-CG1 3.41Å; A637-I641 PolarHBondContact O-N 3.5Å
638	I	94.6	Very high	88.6	Confident	23 Å²	23	58.3 Å²	58.3	12%	0.118	30%	0.296	C	S	.	.	H	α-helix	trans	-53.3	-51.8	173.7	-71	168.4	0	0	0	110.1	E585 I587 I626 I634 I640 I641 E642	E585-I638 HydrophobicContact CB-CD1 3.73Å; E585-I638 HydrophobicContact CG-CD1 4.15Å; I587-I638 HydrophobicContact CD1-CG1 4.45Å; I587-I638 HydrophobicContact CD1-CG2 4.32Å; I587-I638 HydrophobicContact CG2-CD1 4.2Å; I587-I638 HydrophobicContact CG2-CG1 4.08Å; I587-I638 HydrophobicContact CG2-CG2 4.05Å; I626-I638 HydrophobicContact CD1-CB 4.36Å; I626-I638 HydrophobicContact CD1-CG1 3.41Å; I626-I638 VanDerWaalsContact CD1-CG1 3.41Å; I634-I638 HydrophobicContact CG2-CD1 3.86Å; I634-I638 HydrophobicContact CG2-CG1 4.38Å; I634-I638 WeakPolarHBondContact O-CG1 3.4Å; I634-I638 PolarHBondContact O-N 2.85Å; I638-I640 VanDerWaalsContact C-N 3.3Å; I638-I640 PolarHBondContact O-N 3.04Å; I638-I641 PolarHBondContact O-N 2.82Å; I638-I641 VanDerWaalsContact O-N 3.07Å; I638-E642 HydrophobicContact CG2-CG 4.05Å; I638-E642 WeakPolarHBondContact O-CG 3.49Å; I638-E642 PolarHBondContact O-N 3.44Å
639	K	93.6	Very high	88.2	Confident	125 Å²	125	63.1 Å²	63.1	54%	0.543	32%	0.315	S	S	.	.	H	α-helix	trans	-58.7	-41.7	-179.2	-173	-177.5	177.7	-170.9	0	112.2	K635 K636 A637 E643	K635-K639 WeakPolarHBondContact O-CB 3.45Å; K635-K639 PolarHBondContact O-N 3.38Å; K636-K639 PolarHBondContact O-N 2.94Å; A637-K639 VanDerWaalsContact C-N 3.33Å; A637-K639 PolarHBondContact O-N 3.48Å; K639-E643 WeakPolarHBondContact CE-OE1 3.47Å; K639-E643 WeakPolarHBondContact O-CB 3.38Å; K639-E643 VanDerWaalsContact O-CG 3.26Å; K639-E643 WeakPolarHBondContact O-CG 3.48Å; K639-E643 PolarHBondContact O-N 2.64Å
640	I	92.9	Very high	88.3	Confident	24 Å²	24	62.5 Å²	62.5	12%	0.123	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-43.4	176.8	-64.4	162.2	0	0	0	110.5	I608 T612 K636 A637 I638 E643 L644	I608-I640 HydrophobicContact CD1-CG2 3.93Å; I608-I640 HydrophobicContact CG1-CG2 3.79Å; I608-I640 HydrophobicContact CG2-CD1 4.46Å; T612-I640 HydrophobicContact CG2-CD1 4.25Å; K636-I640 HydrophobicContact CG-CD1 4.27Å; K636-I640 VanDerWaalsContact O-CG1 3.31Å; K636-I640 WeakPolarHBondContact O-CG1 3.16Å; K636-I640 PolarHBondContact O-N 3.38Å; K636-I640 VanDerWaalsContact O-N 3.09Å; A637-I640 PolarHBondContact O-N 3.25Å; I638-I640 VanDerWaalsContact C-N 3.3Å; I638-I640 PolarHBondContact O-N 3.04Å; I640-E643 PolarHBondContact O-N 3.39Å; I640-L644 HydrophobicContact CG2-CD1 4.05Å; I640-L644 VanDerWaalsContact O-CG 3.25Å; I640-L644 WeakPolarHBondContact O-CG 3.46Å; I640-L644 PolarHBondContact O-N 2.72Å
641	I	92.6	Very high	88.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-48.4	179	-68	163.2	0	0	0	110.7	I587 I589 V597 I608 I616 V624 I626 A637 I638 E643 L644 T645	I587-I641 HydrophobicContact CD1-CB 4.1Å; I587-I641 HydrophobicContact CD1-CD1 4.45Å; I587-I641 HydrophobicContact CD1-CG2 3.75Å; I589-I641 HydrophobicContact CG2-CG2 3.91Å; V597-I641 HydrophobicContact CG1-CG1 4.06Å; V597-I641 HydrophobicContact CG1-CG2 4.38Å; V597-I641 HydrophobicContact CG2-CG2 4.01Å; I608-I641 HydrophobicContact CD1-CG1 4.01Å; I616-I641 HydrophobicContact CD1-CD1 4.27Å; I616-I641 HydrophobicContact CG2-CD1 4.49Å; V624-I641 HydrophobicContact CG1-CD1 4.06Å; I626-I641 HydrophobicContact CD1-CD1 3.62Å; I626-I641 HydrophobicContact CG1-CD1 4.25Å; A637-I641 WeakPolarHBondContact O-CG1 3.41Å; A637-I641 PolarHBondContact O-N 3.5Å; I638-I641 PolarHBondContact O-N 2.82Å; I638-I641 VanDerWaalsContact O-N 3.07Å; I641-E643 VanDerWaalsContact C-N 3.28Å; I641-E643 PolarHBondContact O-N 3.29Å; I641-L644 WeakPolarHBondContact O-CB 3.12Å; I641-L644 PolarHBondContact O-N 2.84Å; I641-T645 HydrophobicContact CG2-CG2 4.22Å; I641-T645 WeakPolarHBondContact O-CG2 3.48Å; I641-T645 PolarHBondContact O-N 2.65Å; I641-T645 PolarHBondContact O-OG1 2.88Å; I641-T645 VanDerWaalsContact O-OG1 3.07Å
642	E	91	Very high	88.1	Confident	107 Å²	107	62.4 Å²	62.4	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-40.5	176.3	-71.9	179.8	158.2	0	0	111.8	I638 L644 T645 K646	I638-E642 HydrophobicContact CG2-CG 4.05Å; I638-E642 WeakPolarHBondContact O-CG 3.49Å; I638-E642 PolarHBondContact O-N 3.44Å; E642-L644 VanDerWaalsContact C-N 3.34Å; E642-L644 PolarHBondContact O-N 3.35Å; E642-T645 PolarHBondContact O-N 2.88Å; E642-K646 WeakPolarHBondContact O-CA 3.38Å; E642-K646 VanDerWaalsContact O-CB 3.28Å; E642-K646 WeakPolarHBondContact O-CB 3.38Å; E642-K646 PolarHBondContact O-N 3.04Å
643	E	86.5	Confident	87.9	Confident	91 Å²	91	61 Å²	61	43%	0.425	30%	0.301	S	S	.	.	H	α-helix	trans	-65	-35.8	175	-77.1	177.2	-174.2	0	0	112.6	K639 I640 I641	K639-E643 WeakPolarHBondContact CE-OE1 3.47Å; K639-E643 WeakPolarHBondContact O-CB 3.38Å; K639-E643 VanDerWaalsContact O-CG 3.26Å; K639-E643 WeakPolarHBondContact O-CG 3.48Å; K639-E643 PolarHBondContact O-N 2.64Å; I640-E643 PolarHBondContact O-N 3.39Å; I641-E643 VanDerWaalsContact C-N 3.28Å; I641-E643 PolarHBondContact O-N 3.29Å
644	L	85.3	Confident	87.5	Confident	22 Å²	22	59.2 Å²	59.2	12%	0.115	29%	0.292	C	S	.	.	H	α-helix	trans	-72.4	-36.1	176.1	-72.6	168.4	0	0	0	112.6	T604 I608 I640 I641 E642 K672	T604-L644 HydrophobicContact CG2-CD1 3.6Å; I608-L644 HydrophobicContact CD1-CD1 3.97Å; I640-L644 HydrophobicContact CG2-CD1 4.05Å; I640-L644 VanDerWaalsContact O-CG 3.25Å; I640-L644 WeakPolarHBondContact O-CG 3.46Å; I640-L644 PolarHBondContact O-N 2.72Å; I641-L644 WeakPolarHBondContact O-CB 3.12Å; I641-L644 PolarHBondContact O-N 2.84Å; E642-L644 VanDerWaalsContact C-N 3.34Å; E642-L644 PolarHBondContact O-N 3.35Å; L644-K672 HydrophobicContact CD2-CD 3.95Å; L644-K672 HydrophobicContact CD2-CG 4.46Å
645	T	84.2	Confident	87.4	Confident	20 Å²	20	64.1 Å²	64.1	12%	0.123	32%	0.317	C	S	.	.	H	α-helix	trans	-93.4	-7.3	-176.7	62.5	0	0	0	0	113.2	I589 K593 V597 I641 E642 E647	I589-T645 HydrophobicContact CB-CG2 4Å; I589-T645 HydrophobicContact CD1-CG2 4.08Å; I589-T645 HydrophobicContact CG2-CG2 3.79Å; K593-T645 HydrophobicContact CB-CG2 3.75Å; K593-T645 HydrophobicContact CG-CG2 4.42Å; V597-T645 HydrophobicContact CG2-CG2 3.46Å; V597-T645 VanDerWaalsContact CG2-CG2 3.46Å; I641-T645 HydrophobicContact CG2-CG2 4.22Å; I641-T645 WeakPolarHBondContact O-CG2 3.48Å; I641-T645 PolarHBondContact O-N 2.65Å; I641-T645 PolarHBondContact O-OG1 2.88Å; I641-T645 VanDerWaalsContact O-OG1 3.07Å; E642-T645 PolarHBondContact O-N 2.88Å; T645-E647 PolarHBondContact O-N 2.78Å
646	K	81.1	Confident	87.1	Confident	109 Å²	109	58 Å²	58	47%	0.474	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-51.1	132	-179.8	-168.9	165.7	-177.7	176.4	0	112.4	E642 I671 K674	E642-K646 WeakPolarHBondContact O-CA 3.38Å; E642-K646 VanDerWaalsContact O-CB 3.28Å; E642-K646 WeakPolarHBondContact O-CB 3.38Å; E642-K646 PolarHBondContact O-N 3.04Å; K646-I671 HydrophobicContact CB-CD1 3.89Å; K646-I671 HydrophobicContact CD-CG2 4.3Å; K646-I671 HydrophobicContact CG-CD1 4.2Å; K646-I671 WeakPolarHBondContact O-CD1 3.31Å; K646-K674 PolarHBondContact O-NZ 3.3Å
647	E	74.7	Confident	86.9	Confident	95 Å²	95	59.6 Å²	59.6	44%	0.444	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-88.8	143.2	175.8	-64.9	-143.4	122	0	0	111.7	T645 Y654	T645-E647 PolarHBondContact O-N 2.78Å; E647-Y654 PolarHBondContact O-OH 3.06Å
648	V	76.4	Confident	86.7	Confident	8 Å²	8	59.7 Å²	59.7	5%	0.048	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-95.2	121.2	169.2	176.1	0	0	0	0	105.8	Y654 L670 I671 K674 V705 I708 V714	V648-Y654 HydrophobicContact CG1-CE2 4.07Å; V648-L670 HydrophobicContact CG1-CD1 3.65Å; V648-L670 HydrophobicContact CG2-CB 4.47Å; V648-L670 HydrophobicContact CG2-CD1 4.16Å; V648-I671 HydrophobicContact CG2-CD1 3.74Å; V648-I671 HydrophobicContact CG2-CG1 3.93Å; V648-K674 HydrophobicContact CG2-CB 4.36Å; V648-K674 HydrophobicContact CG2-CD 3.86Å; V648-V705 HydrophobicContact CG1-CB 4.31Å; V648-V705 HydrophobicContact CG1-CG1 4.08Å; V648-V705 HydrophobicContact CG1-CG2 3.41Å; V648-V705 VanDerWaalsContact CG1-CG2 3.41Å; V648-I708 WeakPolarHBondContact O-CD1 3.36Å; V648-V714 HydrophobicContact CG1-CG1 3.92Å; V648-V714 HydrophobicContact CG1-CG2 4.46Å
649	K	80.8	Confident	86.6	Confident	117 Å²	117	61.7 Å²	61.7	51%	0.509	31%	0.312	S	S	.	.			trans	-104.2	144.2	178.7	-63.5	179.1	179.8	175.3	0	111.2	G651 E652 V705	K649-G651 PolarHBondContact O-N 3.37Å; K649-E652 HydrophobicContact CB-CG 4.09Å; K649-E652 PolarHBondContact O-N 3.48Å; K649-V705 WeakPolarHBondContact O-CB 3.46Å
650	V	84.6	Confident	86.6	Confident	87 Å²	87	61.3 Å²	61.3	53%	0.527	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	132.1	171.6	176.7	0	0	0	0	109.3	V705 T706 I708	V650-V705 HydrophobicContact CG2-CG1 4.33Å; V650-T706 VanDerWaalsContact CG1-O 3.27Å; V650-T706 WeakPolarHBondContact CG1-O 3.37Å; V650-I708 HydrophobicContact CG2-CD1 4.29Å; V650-I708 HydrophobicContact CG2-CG1 3.97Å
651	G	83.9	Confident	86.7	Confident	37 Å²	37	62 Å²	62	38%	0.381	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.8	-18.2	-178.6	0	0	0	0	0	114.8	K649 K704 V705	K649-G651 PolarHBondContact O-N 3.37Å; G651-K704 WeakPolarHBondContact O-CE 3.27Å; G651-V705 WeakPolarHBondContact CA-O 3.29Å; G651-V705 PolarHBondContact N-O 2.96Å
652	E	86.8	Confident	86.6	Confident	74 Å²	74	65.1 Å²	65.1	35%	0.346	33%	0.325	S	S	.	.			trans	-75.9	151.2	179.4	-73.8	-178.4	173.4	0	0	112.5	K649 Y654 K704 V705	K649-E652 HydrophobicContact CB-CG 4.09Å; K649-E652 PolarHBondContact O-N 3.48Å; E652-Y654 HydrophobicContact CB-CD2 4.32Å; E652-Y654 HydrophobicContact CB-CE2 3.54Å; E652-Y654 PolarHBondContact OE2-OH 3.41Å; E652-K704 CarbonylContact O-C 3.46Å; E652-K704 WeakPolarHBondContact O-CA 3.06Å; E652-V705 PolarHBondContact O-N 3.29Å
653	V	87.3	Confident	86.5	Confident	74 Å²	74	69.2 Å²	69.2	45%	0.448	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.4	-178.1	-177.1	0	0	0	0	109.7	L702 V703 K704 L721	V653-L702 HydrophobicContact CG1-CD2 3.86Å; V653-V703 WeakPolarHBondContact CA-O 3.47Å; V653-K704 HydrophobicContact CG2-CB 4.14Å; V653-K704 HydrophobicContact CG2-CD 4.45Å; V653-K704 HydrophobicContact CG2-CG 4.04Å; V653-L721 HydrophobicContact CG1-CD1 3.7Å; V653-L721 HydrophobicContact CG1-CD2 4.12Å; V653-L721 HydrophobicContact CG2-CD2 3.68Å
654	Y	86.3	Confident	86.7	Confident	21 Å²	21	69.4 Å²	69.4	8%	0.082	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.8	-177.8	-69.2	-94.3	0	0	0	109.7	E647 V648 E652 G656 L670 I671 L702 V703 V705	E647-Y654 PolarHBondContact O-OH 3.06Å; V648-Y654 HydrophobicContact CG1-CE2 4.07Å; E652-Y654 HydrophobicContact CB-CD2 4.32Å; E652-Y654 HydrophobicContact CB-CE2 3.54Å; E652-Y654 PolarHBondContact OE2-OH 3.41Å; Y654-G656 PolarHBondContact O-N 3.5Å; Y654-L670 HydrophobicContact CD1-CB 4.05Å; Y654-L670 HydrophobicContact CD2-CD1 4.18Å; Y654-L670 HydrophobicContact CG-CB 4.06Å; Y654-L670 HydrophobicContact CG-CD1 4.44Å; Y654-L670 HydrophobicContact CG-CD2 4.3Å; Y654-I671 HydrophobicContact CD1-CG2 4.28Å; Y654-I671 HydrophobicContact CE1-CG2 3.89Å; Y654-L702 WeakPolarHBondContact O-CA 3.37Å; Y654-V703 PolarHBondContact N-O 3.07Å; Y654-V703 PolarHBondContact O-N 2.99Å; Y654-V705 HydrophobicContact CD2-CG2 3.85Å; Y654-V705 HydrophobicContact CE2-CG2 3.82Å
655	L	89.4	Confident	87	Confident	106 Å²	106	68.3 Å²	68.3	56%	0.555	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	102.9	161.2	-178.3	68.6	0	0	0	106.8	E700 L702	L655-E700 HydrophobicContact CD1-CB 4.09Å; L655-E700 HydrophobicContact CG-CB 4.43Å; L655-L702 HydrophobicContact CB-CD2 4.03Å; L655-L702 HydrophobicContact CD1-CD2 4.3Å; L655-L702 HydrophobicContact CD1-CG 4.01Å
656	G	86.7	Confident	87.4	Confident	3 Å²	3	67.4 Å²	67.4	3%	0.031	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	155.2	-175.4	0	0	0	0	0	112.5	Y654 V668 N669 E700 V701	Y654-G656 PolarHBondContact O-N 3.5Å; G656-V668 VanDerWaalsContact CA-CG1 3.47Å; G656-N669 CarbonylContact C-O 3.52Å; G656-N669 WeakPolarHBondContact CA-O 3.28Å; G656-E700 WeakPolarHBondContact O-CA 3.29Å; G656-V701 PolarHBondContact N-O 2.9Å; G656-V701 PolarHBondContact O-N 3.16Å
657	K	91.2	Very high	88	Confident	109 Å²	109	63.7 Å²	63.7	47%	0.474	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.5	-179.7	-168.4	172.2	-176.9	171.8	0	110.7	V659 V668 N669 G698 D699	K657-V659 PolarHBondContact O-N 3Å; K657-V659 VanDerWaalsContact O-N 3.16Å; K657-V668 CarbonylContact O-C 3.56Å; K657-V668 WeakPolarHBondContact O-CA 3.13Å; K657-N669 PolarHBondContact N-O 3Å; K657-N669 PolarHBondContact O-N 2.91Å; K657-G698 VanDerWaalsContact CE-O 3.27Å; K657-G698 WeakPolarHBondContact CE-O 3.3Å; K657-D699 CarbonylContact C-O 3.53Å; K657-D699 WeakPolarHBondContact CA-O 3.31Å
658	V	91.7	Very high	88.8	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	112.5	175.9	179.5	0	0	0	0	109.3	I661 A666 V668 V695 K696 G698 D699 V701	V658-I661 HydrophobicContact CG1-CD1 4.04Å; V658-I661 HydrophobicContact CG1-CG1 3.64Å; V658-A666 HydrophobicContact CG1-CB 4.19Å; V658-V668 HydrophobicContact CG2-CG2 4.19Å; V658-V695 HydrophobicContact CG2-CB 4.15Å; V658-V695 HydrophobicContact CG2-CG2 4.44Å; V658-K696 WeakPolarHBondContact CB-O 3.29Å; V658-G698 PolarHBondContact O-N 3.2Å; V658-D699 HydrophobicContact CG2-CB 4.28Å; V658-D699 PolarHBondContact N-O 2.97Å; V658-V701 HydrophobicContact CG2-CG2 4.16Å
659	V	92.6	Very high	89.4	Confident	65 Å²	65	61 Å²	61	39%	0.394	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-23.5	-177.1	-69.7	0	0	0	0	113.1	K657 F667 N669 L697	K657-V659 PolarHBondContact O-N 3Å; K657-V659 VanDerWaalsContact O-N 3.16Å; V659-F667 HydrophobicContact CG2-CB 4.3Å; V659-F667 WeakPolarHBondContact CG2-O 3.36Å; V659-F667 PolarHBondContact N-O 2.82Å; V659-N669 HydrophobicContact CG1-CB 3.7Å; V659-N669 HydrophobicContact CG2-CB 4.16Å; V659-L697 WeakPolarHBondContact O-CD1 3.28Å
660	R	93.3	Very high	89.6	Confident	117 Å²	117	56 Å²	56	44%	0.442	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	142.3	174.7	-163.6	172.2	88.2	-144.5	-3	110.5	E662 F667	R660-E662 IonicContact CZ-OE1 2.79Å; R660-E662 IonicContact NE-OE1 2.61Å; R660-E662 PolarHBondContact NE-OE1 3.05Å; R660-E662 IonicContact NH2-OE1 2.58Å; R660-F667 HydrophobicContact CB-CB 4.02Å; R660-F667 HydrophobicContact CB-CD2 4.2Å; R660-F667 HydrophobicContact CB-CG 4.43Å; R660-F667 PolarHBondContact N-O 3.47Å; R660-F667 VanDerWaalsContact NH2-CZ 3.28Å; R660-F667 PolarHBondContact O-N 3.47Å
661	I	93.3	Very high	89.3	Confident	37 Å²	37	53 Å²	53	19%	0.19	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.9	174.3	-67.1	176.3	0	0	0	108.5	V658 A666 V691 E692 V695	V658-I661 HydrophobicContact CG1-CD1 4.04Å; V658-I661 HydrophobicContact CG1-CG1 3.64Å; I661-A666 HydrophobicContact CG1-CB 4.5Å; I661-V691 HydrophobicContact CG1-CG1 4.45Å; I661-V691 HydrophobicContact CG2-CB 3.96Å; I661-V691 HydrophobicContact CG2-CG1 3.69Å; I661-E692 HydrophobicContact CG2-CG 4.21Å; I661-V695 WeakPolarHBondContact CD1-O 3.27Å
662	E	92.6	Very high	88.7	Confident	67 Å²	67	57.6 Å²	57.6	31%	0.313	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	162.4	172.1	-63	-65.3	166.7	0	0	109.4	R660 F664 G665 F667 V691	R660-E662 IonicContact CZ-OE1 2.79Å; R660-E662 IonicContact NE-OE1 2.61Å; R660-E662 PolarHBondContact NE-OE1 3.05Å; R660-E662 IonicContact NH2-OE1 2.58Å; E662-F664 HydrophobicContact CB-CD1 3.76Å; E662-F664 HydrophobicContact CB-CD2 4.44Å; E662-F664 HydrophobicContact CB-CE1 3.44Å; E662-F664 VanDerWaalsContact CB-CE1 3.44Å; E662-F664 HydrophobicContact CB-CE2 4.17Å; E662-F664 HydrophobicContact CB-CG 4.25Å; E662-F664 HydrophobicContact CB-CZ 3.68Å; E662-F664 HydrophobicContact CG-CE1 3.77Å; E662-F664 HydrophobicContact CG-CE2 4.43Å; E662-F664 HydrophobicContact CG-CZ 3.69Å; E662-F664 PolarHBondContact O-N 3.32Å; E662-G665 CarbonylContact C-O 3.58Å; E662-G665 PolarHBondContact N-O 3.5Å; E662-G665 PolarHBondContact O-N 3.45Å; E662-G665 VanDerWaalsContact O-N 3.14Å; E662-F667 HydrophobicContact CG-CD2 4.26Å; E662-F667 HydrophobicContact CG-CE2 3.81Å; E662-V691 WeakPolarHBondContact O-CG2 3.44Å
663	K	88.6	Confident	88	Confident	193 Å²	193	57.7 Å²	57.7	84%	0.839	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.7	177.6	-67.3	-177.5	-179.6	176.8	0	113.6
664	F	90.8	Very high	87.7	Confident	94 Å²	94	56.9 Å²	56.9	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-9.4	-176.6	59.3	-96.5	0	0	0	113.9	E662 F667 L677 H679 I680	E662-F664 HydrophobicContact CB-CD1 3.76Å; E662-F664 HydrophobicContact CB-CD2 4.44Å; E662-F664 HydrophobicContact CB-CE1 3.44Å; E662-F664 VanDerWaalsContact CB-CE1 3.44Å; E662-F664 HydrophobicContact CB-CE2 4.17Å; E662-F664 HydrophobicContact CB-CG 4.25Å; E662-F664 HydrophobicContact CB-CZ 3.68Å; E662-F664 HydrophobicContact CG-CE1 3.77Å; E662-F664 HydrophobicContact CG-CE2 4.43Å; E662-F664 HydrophobicContact CG-CZ 3.69Å; E662-F664 PolarHBondContact O-N 3.32Å; F664-F667 HydrophobicContact CE2-CE2 4.08Å; F664-F667 HydrophobicContact CE2-CZ 4.23Å; F664-F667 HydrophobicContact CZ-CE2 4.1Å; F664-F667 HydrophobicContact CZ-CZ 4.34Å; F664-L677 HydrophobicContact CD2-CD1 3.99Å; F664-L677 HydrophobicContact CD2-CD2 4.18Å; F664-L677 HydrophobicContact CE2-CD1 3.68Å; F664-L677 HydrophobicContact CE2-CD2 3.88Å; F664-L677 HydrophobicContact CE2-CG 4.46Å; F664-H679 PolarHBondContact O-CD2 2.98Å; F664-I680 PolarHBondContact O-N 3.04Å
665	G	91.5	Very high	87.9	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	176.2	-177.5	0	0	0	0	0	113.6	E662 V678	E662-G665 CarbonylContact C-O 3.58Å; E662-G665 PolarHBondContact N-O 3.5Å; E662-G665 PolarHBondContact O-N 3.45Å; E662-G665 VanDerWaalsContact O-N 3.14Å; G665-V678 CarbonylContact C-O 3.41Å; G665-V678 WeakPolarHBondContact CA-O 3.48Å
666	A	92.1	Very high	87.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.7	175.2	0	0	0	0	0	110.2	V658 I661 V678 L683 V691 V695	V658-A666 HydrophobicContact CG1-CB 4.19Å; I661-A666 HydrophobicContact CG1-CB 4.5Å; A666-V678 PolarHBondContact N-O 3.44Å; A666-V678 PolarHBondContact O-N 2.86Å; A666-L683 HydrophobicContact CB-CD2 4.41Å; A666-V691 HydrophobicContact CB-CG1 3.91Å; A666-V695 HydrophobicContact CB-CG2 3.82Å
667	F	93.6	Very high	88.3	Confident	32 Å²	32	55.3 Å²	55.3	14%	0.14	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.7	167.5	-70.6	-93.2	0	0	0	108.6	V659 R660 E662 F664 D675 A676 L677	V659-F667 HydrophobicContact CG2-CB 4.3Å; V659-F667 WeakPolarHBondContact CG2-O 3.36Å; V659-F667 PolarHBondContact N-O 2.82Å; R660-F667 HydrophobicContact CB-CB 4.02Å; R660-F667 HydrophobicContact CB-CD2 4.2Å; R660-F667 HydrophobicContact CB-CG 4.43Å; R660-F667 PolarHBondContact N-O 3.47Å; R660-F667 VanDerWaalsContact NH2-CZ 3.28Å; R660-F667 PolarHBondContact O-N 3.47Å; E662-F667 HydrophobicContact CG-CD2 4.26Å; E662-F667 HydrophobicContact CG-CE2 3.81Å; F664-F667 HydrophobicContact CE2-CE2 4.08Å; F664-F667 HydrophobicContact CE2-CZ 4.23Å; F664-F667 HydrophobicContact CZ-CE2 4.1Å; F664-F667 HydrophobicContact CZ-CZ 4.34Å; F667-D675 HydrophobicContact CB-CB 4.39Å; F667-D675 HydrophobicContact CD1-CB 4.29Å; F667-A676 WeakPolarHBondContact CA-O 3.48Å; F667-L677 HydrophobicContact CD1-CB 4.44Å; F667-L677 HydrophobicContact CD2-CD1 4.32Å; F667-L677 HydrophobicContact CE1-CB 4.08Å; F667-L677 HydrophobicContact CE1-CD1 4.29Å; F667-L677 HydrophobicContact CE2-CD1 3.91Å; F667-L677 HydrophobicContact CZ-CB 4.43Å; F667-L677 HydrophobicContact CZ-CD1 3.9Å
668	V	91.1	Very high	88.4	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.9	-177.9	-179.1	0	0	0	0	107.3	G656 K657 V658 L670 D675 A676 V678 V701 V703	G656-V668 VanDerWaalsContact CA-CG1 3.47Å; K657-V668 CarbonylContact O-C 3.56Å; K657-V668 WeakPolarHBondContact O-CA 3.13Å; V658-V668 HydrophobicContact CG2-CG2 4.19Å; V668-L670 HydrophobicContact CG1-CD2 4.27Å; V668-L670 PolarHBondContact O-N 3.14Å; V668-D675 WeakPolarHBondContact O-CA 3.4Å; V668-A676 PolarHBondContact N-O 3.28Å; V668-A676 PolarHBondContact O-N 2.82Å; V668-V678 HydrophobicContact CB-CG2 4.44Å; V668-V678 HydrophobicContact CG2-CG2 3.78Å; V668-V701 HydrophobicContact CG1-CG2 3.91Å; V668-V701 HydrophobicContact CG2-CG2 3.77Å; V668-V703 HydrophobicContact CG1-CG1 4.49Å; V668-V703 HydrophobicContact CG1-CG2 4.22Å; V668-V703 HydrophobicContact CG2-CG1 4.45Å
669	N	89.4	Confident	88.5	Confident	44 Å²	44	53.9 Å²	53.9	24%	0.235	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	117.8	174.6	-175.2	-102	0	0	0	108.8	G656 K657 V659 I671 K674 D675	G656-N669 CarbonylContact C-O 3.52Å; G656-N669 WeakPolarHBondContact CA-O 3.28Å; K657-N669 PolarHBondContact N-O 3Å; K657-N669 PolarHBondContact O-N 2.91Å; V659-N669 HydrophobicContact CG1-CB 3.7Å; V659-N669 HydrophobicContact CG2-CB 4.16Å; N669-I671 PolarHBondContact ND2-O 3.48Å; N669-I671 PolarHBondContact OD1-O 3.18Å; N669-K674 PolarHBondContact ND2-O 2.87Å; N669-D675 WeakPolarHBondContact CA-OD1 3.44Å; N669-D675 WeakPolarHBondContact CB-OD1 3.49Å; N669-D675 PolarHBondContact ND2-OD1 3.17Å
670	L	84.1	Confident	88.4	Confident	14 Å²	14	52.1 Å²	52.1	7%	0.073	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-45.1	-178.9	-56.2	-172	0	0	0	110.9	V648 Y654 V668 K674 A676 V703 V705 V714	V648-L670 HydrophobicContact CG1-CD1 3.65Å; V648-L670 HydrophobicContact CG2-CB 4.47Å; V648-L670 HydrophobicContact CG2-CD1 4.16Å; Y654-L670 HydrophobicContact CD1-CB 4.05Å; Y654-L670 HydrophobicContact CD2-CD1 4.18Å; Y654-L670 HydrophobicContact CG-CB 4.06Å; Y654-L670 HydrophobicContact CG-CD1 4.44Å; Y654-L670 HydrophobicContact CG-CD2 4.3Å; V668-L670 HydrophobicContact CG1-CD2 4.27Å; V668-L670 PolarHBondContact O-N 3.14Å; L670-K674 PolarHBondContact N-O 3.29Å; L670-A676 HydrophobicContact CD1-CB 3.58Å; L670-A676 HydrophobicContact CD2-CB 3.9Å; L670-A676 HydrophobicContact CG-CB 3.74Å; L670-V703 HydrophobicContact CD2-CG2 3.42Å; L670-V703 VanDerWaalsContact CD2-CG2 3.42Å; L670-V705 HydrophobicContact CD1-CG2 3.77Å; L670-V714 HydrophobicContact CD1-CG1 3.97Å
671	I	80	Confident	88.2	Confident	23 Å²	23	49.4 Å²	49.4	12%	0.118	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	166.3	177.4	58.1	172	0	0	0	108.6	K646 V648 Y654 N669 G673 K674	K646-I671 HydrophobicContact CB-CD1 3.89Å; K646-I671 HydrophobicContact CD-CG2 4.3Å; K646-I671 HydrophobicContact CG-CD1 4.2Å; K646-I671 WeakPolarHBondContact O-CD1 3.31Å; V648-I671 HydrophobicContact CG2-CD1 3.74Å; V648-I671 HydrophobicContact CG2-CG1 3.93Å; Y654-I671 HydrophobicContact CD1-CG2 4.28Å; Y654-I671 HydrophobicContact CE1-CG2 3.89Å; N669-I671 PolarHBondContact ND2-O 3.48Å; N669-I671 PolarHBondContact OD1-O 3.18Å; I671-G673 PolarHBondContact O-N 2.77Å; I671-G673 VanDerWaalsContact O-N 3.11Å; I671-K674 HydrophobicContact CD1-CB 4.48Å; I671-K674 HydrophobicContact CD1-CD 4.12Å; I671-K674 HydrophobicContact CG1-CB 3.86Å; I671-K674 HydrophobicContact CG1-CD 4.41Å; I671-K674 HydrophobicContact CG1-CG 4.38Å; I671-K674 PolarHBondContact O-N 2.82Å
672	K	71	Confident	88.1	Confident	134 Å²	134	51 Å²	51	58%	0.583	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	120.8	-179.5	-166.6	174.5	179.5	-177	0	110.3	L644 K674	L644-K672 HydrophobicContact CD2-CD 3.95Å; L644-K672 HydrophobicContact CD2-CG 4.46Å; K672-K674 VanDerWaalsContact C-N 3.35Å; K672-K674 PolarHBondContact O-N 3.19Å
673	G	71.5	Confident	87.9	Confident	76 Å²	76	47.9 Å²	47.9	78%	0.784	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	-3.2	179.1	0	0	0	0	0	116.9	I671	I671-G673 PolarHBondContact O-N 2.77Å; I671-G673 VanDerWaalsContact O-N 3.11Å
674	K	80.4	Confident	87.8	Confident	56 Å²	56	39.2 Å²	39.2	24%	0.243	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.9	174.9	-67.3	-171.7	-171.3	157	0	112.7	K646 V648 N669 L670 I671 K672	K646-K674 PolarHBondContact O-NZ 3.3Å; V648-K674 HydrophobicContact CG2-CB 4.36Å; V648-K674 HydrophobicContact CG2-CD 3.86Å; N669-K674 PolarHBondContact ND2-O 2.87Å; L670-K674 PolarHBondContact N-O 3.29Å; I671-K674 HydrophobicContact CD1-CB 4.48Å; I671-K674 HydrophobicContact CD1-CD 4.12Å; I671-K674 HydrophobicContact CG1-CB 3.86Å; I671-K674 HydrophobicContact CG1-CD 4.41Å; I671-K674 HydrophobicContact CG1-CG 4.38Å; I671-K674 PolarHBondContact O-N 2.82Å; K672-K674 VanDerWaalsContact C-N 3.35Å; K672-K674 PolarHBondContact O-N 3.19Å
675	D	90.2	Very high	87.3	Confident	65 Å²	65	37.1 Å²	37.1	35%	0.348	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	141.1	173	-60.1	-18.7	0	0	0	110.3	F667 V668 N669	F667-D675 HydrophobicContact CB-CB 4.39Å; F667-D675 HydrophobicContact CD1-CB 4.29Å; V668-D675 WeakPolarHBondContact O-CA 3.4Å; N669-D675 WeakPolarHBondContact CA-OD1 3.44Å; N669-D675 WeakPolarHBondContact CB-OD1 3.49Å; N669-D675 PolarHBondContact ND2-OD1 3.17Å
676	A	90.6	Very high	86.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139	167.9	0	0	0	0	0	111.3	F667 V668 L670 V714 A716	F667-A676 WeakPolarHBondContact CA-O 3.48Å; V668-A676 PolarHBondContact N-O 3.28Å; V668-A676 PolarHBondContact O-N 2.82Å; L670-A676 HydrophobicContact CD1-CB 3.58Å; L670-A676 HydrophobicContact CD2-CB 3.9Å; L670-A676 HydrophobicContact CG-CB 3.74Å; A676-V714 CarbonylContact C-O 3.56Å; A676-V714 VanDerWaalsContact CA-O 3.26Å; A676-V714 WeakPolarHBondContact CA-O 3.32Å; A676-V714 HydrophobicContact CB-CB 3.93Å; A676-V714 HydrophobicContact CB-CG1 3.64Å; A676-A716 HydrophobicContact CB-CB 3.75Å
677	L	94.5	Very high	86.6	Confident	32 Å²	32	55 Å²	55	17%	0.168	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.8	169.7	176.8	61.5	0	0	0	109.6	F664 F667 V714 N715 A716	F664-L677 HydrophobicContact CD2-CD1 3.99Å; F664-L677 HydrophobicContact CD2-CD2 4.18Å; F664-L677 HydrophobicContact CE2-CD1 3.68Å; F664-L677 HydrophobicContact CE2-CD2 3.88Å; F664-L677 HydrophobicContact CE2-CG 4.46Å; F667-L677 HydrophobicContact CD1-CB 4.44Å; F667-L677 HydrophobicContact CD2-CD1 4.32Å; F667-L677 HydrophobicContact CE1-CB 4.08Å; F667-L677 HydrophobicContact CE1-CD1 4.29Å; F667-L677 HydrophobicContact CE2-CD1 3.91Å; F667-L677 HydrophobicContact CZ-CB 4.43Å; F667-L677 HydrophobicContact CZ-CD1 3.9Å; L677-V714 PolarHBondContact N-O 3.08Å; L677-N715 WeakPolarHBondContact O-CA 3.36Å; L677-A716 PolarHBondContact O-N 3.39Å
678	V	94.1	Very high	86.2	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	100.1	163.8	-169.9	0	0	0	0	107.6	G665 A666 V668 Q682 L683 V703 A716	G665-V678 CarbonylContact C-O 3.41Å; G665-V678 WeakPolarHBondContact CA-O 3.48Å; A666-V678 PolarHBondContact N-O 3.44Å; A666-V678 PolarHBondContact O-N 2.86Å; V668-V678 HydrophobicContact CB-CG2 4.44Å; V668-V678 HydrophobicContact CG2-CG2 3.78Å; V678-Q682 HydrophobicContact CG1-CB 4.04Å; V678-L683 HydrophobicContact CB-CD2 3.99Å; V678-L683 HydrophobicContact CG1-CD2 3.55Å; V678-L683 HydrophobicContact CG1-CG 3.99Å; V678-V703 HydrophobicContact CG2-CB 4.37Å; V678-V703 HydrophobicContact CG2-CG1 3.74Å; V678-A716 WeakPolarHBondContact CA-O 3.31Å; V678-A716 HydrophobicContact CG2-CB 4.18Å
679	H	93.6	Very high	85.9	Confident	80 Å²	80	60.6 Å²	60.6	37%	0.37	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	147.7	176.6	-174.5	-105.2	0	0	0	110.5	F664 S681 Q682 L683	F664-H679 PolarHBondContact O-CD2 2.98Å; H679-S681 PolarHBondContact ND1-N 2.94Å; H679-S681 PolarHBondContact ND1-OG 3.27Å; H679-S681 PolarHBondContact O-N 2.89Å; H679-Q682 HydrophobicContact CB-CG 4.36Å; H679-Q682 WeakPolarHBondContact O-CA 3.38Å; H679-Q682 WeakPolarHBondContact O-CB 3.4Å; H679-Q682 PolarHBondContact O-N 2.88Å; H679-L683 PolarHBondContact O-N 2.85Å
680	I	90.8	Very high	85.8	Confident	29 Å²	29	64.8 Å²	64.8	15%	0.149	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-53	-34.4	-175.5	-169.9	172	0	0	0	113	F664 Q682 L683 V688 V691	F664-I680 PolarHBondContact O-N 3.04Å; I680-Q682 PolarHBondContact O-N 3.31Å; I680-L683 HydrophobicContact CG1-CD1 4.38Å; I680-L683 PolarHBondContact O-N 3.4Å; I680-V688 HydrophobicContact CD1-CG1 4.15Å; I680-V688 HydrophobicContact CG1-CB 3.97Å; I680-V688 HydrophobicContact CG1-CG1 3.84Å; I680-V691 HydrophobicContact CB-CG2 3.95Å; I680-V691 HydrophobicContact CD1-CG2 3.85Å; I680-V691 HydrophobicContact CG1-CG2 3.82Å
681	S	89	Confident	86	Confident	60 Å²	60	64.1 Å²	64.1	42%	0.42	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-71.7	-12.9	177.2	70.2	0	0	0	0	114.7	H679	H679-S681 PolarHBondContact ND1-N 2.94Å; H679-S681 PolarHBondContact ND1-OG 3.27Å; H679-S681 PolarHBondContact O-N 2.89Å
682	Q	91.2	Very high	86.4	Confident	70 Å²	70	67.9 Å²	67.9	33%	0.327	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-106.2	2.6	-178.3	-60.1	-61.6	-25.1	0	0	112.7	V678 H679 I680 S717 R718 K719	V678-Q682 HydrophobicContact CG1-CB 4.04Å; H679-Q682 HydrophobicContact CB-CG 4.36Å; H679-Q682 WeakPolarHBondContact O-CA 3.38Å; H679-Q682 WeakPolarHBondContact O-CB 3.4Å; H679-Q682 PolarHBondContact O-N 2.88Å; I680-Q682 PolarHBondContact O-N 3.31Å; Q682-S717 PolarHBondContact OE1-OG 3.24Å; Q682-R718 PolarHBondContact O-N 2.83Å; Q682-K719 WeakPolarHBondContact O-CB 3.33Å; Q682-K719 PolarHBondContact O-N 3.29Å
683	L	87.6	Confident	87.2	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	34%	0.341	C	S	.	.	S	Bend	trans	-79.9	-35.5	179.9	-72.5	169.3	0	0	0	113.3	A666 V678 H679 I680 V691 V694 V695 R718	A666-L683 HydrophobicContact CB-CD2 4.41Å; V678-L683 HydrophobicContact CB-CD2 3.99Å; V678-L683 HydrophobicContact CG1-CD2 3.55Å; V678-L683 HydrophobicContact CG1-CG 3.99Å; H679-L683 PolarHBondContact O-N 2.85Å; I680-L683 HydrophobicContact CG1-CD1 4.38Å; I680-L683 PolarHBondContact O-N 3.4Å; L683-V691 HydrophobicContact CD1-CB 4.19Å; L683-V691 HydrophobicContact CD1-CG1 3.74Å; L683-V691 HydrophobicContact CD1-CG2 4.08Å; L683-V694 HydrophobicContact CB-CB 4.47Å; L683-V694 HydrophobicContact CB-CG1 4.06Å; L683-V695 HydrophobicContact CD1-CG2 4.46Å; L683-V695 HydrophobicContact CD2-CG1 4.22Å; L683-V695 HydrophobicContact CD2-CG2 4.19Å; L683-R718 VanDerWaalsContact O-CD 3.3Å; L683-R718 WeakPolarHBondContact O-CD 3.42Å
684	A	85.9	Confident	87.9	Confident	11 Å²	11	64.8 Å²	64.8	9%	0.091	32%	0.315	C	S	.	.			trans	-145.1	165.2	-175.8	0	0	0	0	0	112.8	E686 V688 V694 K719	A684-E686 HydrophobicContact CB-CG 4.37Å; A684-V688 HydrophobicContact CB-CG2 3.71Å; A684-V694 HydrophobicContact CB-CG1 4.39Å; A684-V694 HydrophobicContact CB-CG2 4.43Å; A684-K719 VanDerWaalsContact O-CD 3.32Å; A684-K719 WeakPolarHBondContact O-CD 3.3Å; A684-K719 WeakPolarHBondContact O-CE 3.36Å; A684-K719 WeakPolarHBondContact O-CG 3.47Å; A684-K719 PolarHBondContact O-NZ 3.08Å
685	N	82.1	Confident	88.4	Confident	49 Å²	49	62.2 Å²	62.2	26%	0.262	30%	0.304	S	S	.	.	S	Bend	trans	-67.3	-41	175.7	-83.1	-12.3	0	0	0	112.1	K719 E726	N685-K719 PolarHBondContact O-NZ 3.36Å; N685-K719 WeakPolarHBondContact OD1-CG 3.4Å; N685-E726 PolarHBondContact ND2-OE1 3.17Å; N685-E726 PolarHBondContact ND2-OE2 3.32Å
686	E	82.9	Confident	88.4	Confident	150 Å²	150	65.9 Å²	65.9	70%	0.701	32%	0.317	S	S	*	.	S	Bend	trans	-78.8	171.7	175.1	64.7	-172.4	170.6	0	0	113.5	A684 V688	A684-E686 HydrophobicContact CB-CG 4.37Å; E686-V688 PolarHBondContact O-N 2.92Å
687	R	84.2	Confident	88.5	Confident	226 Å²	226	71.9 Å²	71.9	85%	0.853	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-78.2	117	176.8	-178	177.6	178.7	169.4	0.4	109.8
688	V	85.6	Confident	88.1	Confident	22 Å²	22	71.8 Å²	71.8	13%	0.133	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-90.8	130.1	179	-177.3	0	0	0	0	110	I680 A684 E686 K690 V694	I680-V688 HydrophobicContact CD1-CG1 4.15Å; I680-V688 HydrophobicContact CG1-CB 3.97Å; I680-V688 HydrophobicContact CG1-CG1 3.84Å; A684-V688 HydrophobicContact CB-CG2 3.71Å; E686-V688 PolarHBondContact O-N 2.92Å; V688-K690 WeakPolarHBondContact CG1-O 3.48Å; V688-V694 HydrophobicContact CB-CG2 4.26Å; V688-V694 HydrophobicContact CG1-CG2 3.59Å; V688-V694 HydrophobicContact CG2-CG2 3.63Å
689	N	85.8	Confident	87.9	Confident	128 Å²	128	74.9 Å²	74.9	68%	0.684	37%	0.372	S	S	*	.	S	Bend	trans	-89.7	-40.1	178.9	-69.2	-49.2	0	0	0	112.4
690	K	87.1	Confident	87.8	Confident	133 Å²	133	77.6 Å²	77.6	58%	0.578	39%	0.385	S	S	*	.			trans	-130.6	142.2	173.7	-60.2	178.8	-179.7	175.8	0	110.1	V688 E692 D693	V688-K690 WeakPolarHBondContact CG1-O 3.48Å; K690-E692 PolarHBondContact O-N 3.13Å; K690-D693 WeakPolarHBondContact CB-OD2 3.46Å; K690-D693 PolarHBondContact N-OD2 3.34Å; K690-D693 VanDerWaalsContact N-OD2 3.09Å; K690-D693 VanDerWaalsContact O-CB 3.31Å; K690-D693 WeakPolarHBondContact O-CB 3.49Å; K690-D693 PolarHBondContact O-N 3.02Å
691	V	87.6	Confident	87.8	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-58.7	-37.4	179.4	174	0	0	0	0	110.7	I661 E662 A666 I680 L683 D693 V694 V695	I661-V691 HydrophobicContact CG1-CG1 4.45Å; I661-V691 HydrophobicContact CG2-CB 3.96Å; I661-V691 HydrophobicContact CG2-CG1 3.69Å; E662-V691 WeakPolarHBondContact O-CG2 3.44Å; A666-V691 HydrophobicContact CB-CG1 3.91Å; I680-V691 HydrophobicContact CB-CG2 3.95Å; I680-V691 HydrophobicContact CD1-CG2 3.85Å; I680-V691 HydrophobicContact CG1-CG2 3.82Å; L683-V691 HydrophobicContact CD1-CB 4.19Å; L683-V691 HydrophobicContact CD1-CG1 3.74Å; L683-V691 HydrophobicContact CD1-CG2 4.08Å; V691-D693 PolarHBondContact O-N 3.49Å; V691-V694 PolarHBondContact O-N 3.14Å; V691-V695 HydrophobicContact CG1-CG2 3.63Å; V691-V695 PolarHBondContact O-N 2.79Å
692	E	88.8	Confident	87.9	Confident	101 Å²	101	78.2 Å²	78.2	47%	0.472	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-64.3	-17.4	179.1	-58.9	89.6	157.7	0	0	114	I661 K690 V694 V695	I661-E692 HydrophobicContact CG2-CG 4.21Å; K690-E692 PolarHBondContact O-N 3.13Å; E692-V694 PolarHBondContact O-N 3.11Å; E692-V695 WeakPolarHBondContact CA-O 3.47Å
693	D	87.8	Confident	87.8	Confident	106 Å²	106	74.9 Å²	74.9	57%	0.567	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-71.6	-19.9	174.9	-59.5	-26.6	0	0	0	111.3	K690 V691	K690-D693 WeakPolarHBondContact CB-OD2 3.46Å; K690-D693 PolarHBondContact N-OD2 3.34Å; K690-D693 VanDerWaalsContact N-OD2 3.09Å; K690-D693 VanDerWaalsContact O-CB 3.31Å; K690-D693 WeakPolarHBondContact O-CB 3.49Å; K690-D693 PolarHBondContact O-N 3.02Å; V691-D693 PolarHBondContact O-N 3.49Å
694	V	86.8	Confident	88	Confident	40 Å²	40	77.3 Å²	77.3	24%	0.242	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-32.7	-172.2	-178.2	0	0	0	0	113.1	L683 A684 V688 V691 E692 R718	L683-V694 HydrophobicContact CB-CB 4.47Å; L683-V694 HydrophobicContact CB-CG1 4.06Å; A684-V694 HydrophobicContact CB-CG1 4.39Å; A684-V694 HydrophobicContact CB-CG2 4.43Å; V688-V694 HydrophobicContact CB-CG2 4.26Å; V688-V694 HydrophobicContact CG1-CG2 3.59Å; V688-V694 HydrophobicContact CG2-CG2 3.63Å; V691-V694 PolarHBondContact O-N 3.14Å; E692-V694 PolarHBondContact O-N 3.11Å; V694-R718 VanDerWaalsContact CG1-NH1 3.25Å
695	V	89.4	Confident	88.2	Confident	2 Å²	2	76.8 Å²	76.8	1%	0.012	37%	0.374	C	S	.	.			trans	-142.3	145.1	-179.7	-64.2	0	0	0	0	111.4	V658 I661 A666 L683 V691 E692 V701	V658-V695 HydrophobicContact CG2-CB 4.15Å; V658-V695 HydrophobicContact CG2-CG2 4.44Å; I661-V695 WeakPolarHBondContact CD1-O 3.27Å; A666-V695 HydrophobicContact CB-CG2 3.82Å; L683-V695 HydrophobicContact CD1-CG2 4.46Å; L683-V695 HydrophobicContact CD2-CG1 4.22Å; L683-V695 HydrophobicContact CD2-CG2 4.19Å; V691-V695 HydrophobicContact CG1-CG2 3.63Å; V691-V695 PolarHBondContact O-N 2.79Å; E692-V695 WeakPolarHBondContact CA-O 3.47Å; V695-V701 HydrophobicContact CG1-CG1 3.8Å
696	K	91.1	Very high	88.5	Confident	142 Å²	142	77.7 Å²	77.7	62%	0.617	38%	0.382	S	S	*	.			trans	-112.9	160.7	173.5	-63.6	176.8	-175.9	174.1	0	110.7	V658 G698 D699	V658-K696 WeakPolarHBondContact CB-O 3.29Å; K696-G698 PolarHBondContact O-N 3.09Å; K696-D699 PolarHBondContact N-OD2 3.43Å; K696-D699 WeakPolarHBondContact O-CB 3.4Å; K696-D699 PolarHBondContact O-N 3.13Å; K696-D699 VanDerWaalsContact O-N 3.07Å
697	L	92.1	Very high	88.7	Confident	126 Å²	126	75.9 Å²	75.9	66%	0.66	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	124.5	173.3	-162.8	106.9	0	0	0	108.9	V659	V659-L697 WeakPolarHBondContact O-CD1 3.28Å
698	G	86.7	Confident	88.7	Confident	30 Å²	30	68.3 Å²	68.3	31%	0.309	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-5.7	-177.4	0	0	0	0	0	116	K657 V658 K696	K657-G698 VanDerWaalsContact CE-O 3.27Å; K657-G698 WeakPolarHBondContact CE-O 3.3Å; V658-G698 PolarHBondContact O-N 3.2Å; K696-G698 PolarHBondContact O-N 3.09Å
699	D	91	Very high	88.6	Confident	65 Å²	65	68.6 Å²	68.6	35%	0.348	35%	0.35	S	S	.	.			trans	-65.6	142.6	175.3	-74.9	-4.6	0	0	0	111.2	K657 V658 K696	K657-D699 CarbonylContact C-O 3.53Å; K657-D699 WeakPolarHBondContact CA-O 3.31Å; V658-D699 HydrophobicContact CG2-CB 4.28Å; V658-D699 PolarHBondContact N-O 2.97Å; K696-D699 PolarHBondContact N-OD2 3.43Å; K696-D699 WeakPolarHBondContact O-CB 3.4Å; K696-D699 PolarHBondContact O-N 3.13Å; K696-D699 VanDerWaalsContact O-N 3.07Å
700	E	90.7	Very high	88.3	Confident	137 Å²	137	75 Å²	75	64%	0.64	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	125.1	169.6	-66.4	-175.3	162.3	0	0	109.9	L655 G656	L655-E700 HydrophobicContact CD1-CB 4.09Å; L655-E700 HydrophobicContact CG-CB 4.43Å; G656-E700 WeakPolarHBondContact O-CA 3.29Å
701	V	90.6	Very high	87.8	Confident	11 Å²	11	75.5 Å²	75.5	7%	0.067	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.8	-178	-70.3	0	0	0	0	111.2	G656 V658 V668 V695 V703	G656-V701 PolarHBondContact N-O 2.9Å; G656-V701 PolarHBondContact O-N 3.16Å; V658-V701 HydrophobicContact CG2-CG2 4.16Å; V668-V701 HydrophobicContact CG1-CG2 3.91Å; V668-V701 HydrophobicContact CG2-CG2 3.77Å; V695-V701 HydrophobicContact CG1-CG1 3.8Å; V701-V703 HydrophobicContact CB-CG1 4.46Å; V701-V703 HydrophobicContact CG2-CG1 3.94Å
702	L	90.7	Very high	87.1	Confident	92 Å²	92	77.9 Å²	77.9	48%	0.482	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.6	168.8	-79.9	165.4	0	0	0	109.6	V653 Y654 L655 L721	V653-L702 HydrophobicContact CG1-CD2 3.86Å; Y654-L702 WeakPolarHBondContact O-CA 3.37Å; L655-L702 HydrophobicContact CB-CD2 4.03Å; L655-L702 HydrophobicContact CD1-CD2 4.3Å; L655-L702 HydrophobicContact CD1-CG 4.01Å; L702-L721 HydrophobicContact CB-CD1 3.84Å
703	V	90.3	Very high	87	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.7	-179.8	-60.7	0	0	0	0	110.2	V653 Y654 V668 L670 V678 V701 A716 R718	V653-V703 WeakPolarHBondContact CA-O 3.47Å; Y654-V703 PolarHBondContact N-O 3.07Å; Y654-V703 PolarHBondContact O-N 2.99Å; V668-V703 HydrophobicContact CG1-CG1 4.49Å; V668-V703 HydrophobicContact CG1-CG2 4.22Å; V668-V703 HydrophobicContact CG2-CG1 4.45Å; L670-V703 HydrophobicContact CD2-CG2 3.42Å; L670-V703 VanDerWaalsContact CD2-CG2 3.42Å; V678-V703 HydrophobicContact CG2-CB 4.37Å; V678-V703 HydrophobicContact CG2-CG1 3.74Å; V701-V703 HydrophobicContact CB-CG1 4.46Å; V701-V703 HydrophobicContact CG2-CG1 3.94Å; V703-A716 HydrophobicContact CB-CB 3.98Å; V703-A716 HydrophobicContact CG2-CB 4.07Å; V703-R718 HydrophobicContact CG1-CB 4.32Å
704	K	91	Very high	87.1	Confident	52 Å²	52	75.7 Å²	75.7	23%	0.226	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.7	173.3	-171.1	175.4	-172.1	174.4	0	109.4	G651 E652 V653 T706 A716 S717 A720 L721 E724	G651-K704 WeakPolarHBondContact O-CE 3.27Å; E652-K704 CarbonylContact O-C 3.46Å; E652-K704 WeakPolarHBondContact O-CA 3.06Å; V653-K704 HydrophobicContact CG2-CB 4.14Å; V653-K704 HydrophobicContact CG2-CD 4.45Å; V653-K704 HydrophobicContact CG2-CG 4.04Å; K704-T706 PolarHBondContact O-N 2.88Å; K704-A716 CarbonylContact O-C 3.46Å; K704-A716 WeakPolarHBondContact O-CA 3.11Å; K704-A716 WeakPolarHBondContact O-CB 3.21Å; K704-S717 PolarHBondContact N-O 3.3Å; K704-S717 PolarHBondContact O-N 3.37Å; K704-A720 HydrophobicContact CB-CB 4.48Å; K704-A720 HydrophobicContact CD-CB 4.41Å; K704-L721 HydrophobicContact CB-CD1 4.41Å; K704-L721 HydrophobicContact CB-CD2 4.05Å; K704-L721 HydrophobicContact CB-CG 4.07Å; K704-L721 HydrophobicContact CD-CD2 4.33Å; K704-E724 IonicContact NZ-OE1 3.56Å; K704-E724 PolarHBondContact NZ-OE1 2.74Å
705	V	89.6	Confident	87.3	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	122.2	175.7	-178.5	0	0	0	0	108.4	V648 K649 V650 G651 E652 Y654 L670 I708 V714	V648-V705 HydrophobicContact CG1-CB 4.31Å; V648-V705 HydrophobicContact CG1-CG1 4.08Å; V648-V705 HydrophobicContact CG1-CG2 3.41Å; V648-V705 VanDerWaalsContact CG1-CG2 3.41Å; K649-V705 WeakPolarHBondContact O-CB 3.46Å; V650-V705 HydrophobicContact CG2-CG1 4.33Å; G651-V705 WeakPolarHBondContact CA-O 3.29Å; G651-V705 PolarHBondContact N-O 2.96Å; E652-V705 PolarHBondContact O-N 3.29Å; Y654-V705 HydrophobicContact CD2-CG2 3.85Å; Y654-V705 HydrophobicContact CE2-CG2 3.82Å; L670-V705 HydrophobicContact CD1-CG2 3.77Å; V705-I708 HydrophobicContact CG1-CG1 4.36Å; V705-V714 HydrophobicContact CG1-CG1 3.67Å; V705-V714 HydrophobicContact CG2-CG1 4.22Å
706	T	89.3	Confident	87.4	Confident	68 Å²	68	75.6 Å²	75.6	42%	0.417	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-33.6	-177.1	51.8	0	0	0	0	112.6	V650 K704 N715	V650-T706 VanDerWaalsContact CG1-O 3.27Å; V650-T706 WeakPolarHBondContact CG1-O 3.37Å; K704-T706 PolarHBondContact O-N 2.88Å; T706-N715 PolarHBondContact N-O 3.01Å; T706-N715 PolarHBondContact OG1-O 3.2Å
707	E	87.4	Confident	87.4	Confident	112 Å²	112	68.9 Å²	68.9	52%	0.523	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	146.5	-175.8	-172.7	-179	171.9	0	0	109.8	N715	E707-N715 HydrophobicContact CB-CB 4.4Å; E707-N715 PolarHBondContact N-O 3.19Å; E707-N715 PolarHBondContact O-N 2.77Å
708	I	84.5	Confident	87.3	Confident	67 Å²	67	66.2 Å²	66.2	34%	0.344	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.5	163	-58.6	173.9	0	0	0	105.4	V648 V650 V705 R713 V714	V648-I708 WeakPolarHBondContact O-CD1 3.36Å; V650-I708 HydrophobicContact CG2-CD1 4.29Å; V650-I708 HydrophobicContact CG2-CG1 3.97Å; V705-I708 HydrophobicContact CG1-CG1 4.36Å; I708-R713 WeakPolarHBondContact CA-O 3.49Å; I708-V714 HydrophobicContact CG1-CG1 4.46Å; I708-V714 HydrophobicContact CG1-CG2 4.3Å
709	D	83.5	Confident	87.4	Confident	28 Å²	28	66.7 Å²	66.7	15%	0.15	32%	0.318	C	S	.	.			trans	-74.8	173.7	-174.5	77	9.5	0	0	0	112.2	Q711 G712 R713	D709-Q711 PolarHBondContact O-N 2.88Å; D709-Q711 VanDerWaalsContact OD1-CA 3.29Å; D709-Q711 WeakPolarHBondContact OD1-CA 3.5Å; D709-Q711 WeakPolarHBondContact OD1-CB 3.42Å; D709-Q711 PolarHBondContact OD1-N 3Å; D709-G712 PolarHBondContact O-N 3.34Å; D709-G712 PolarHBondContact OD1-N 2.86Å; D709-G712 VanDerWaalsContact OD1-N 3.12Å; D709-R713 PolarHBondContact N-O 2.94Å; D709-R713 WeakPolarHBondContact OD1-CB 3.4Å; D709-R713 PolarHBondContact OD1-N 3.39Å; D709-R713 IonicContact OD1-NE 2.75Å; D709-R713 IonicContact OD2-CZ 3.71Å; D709-R713 IonicContact OD2-NE 2.91Å; D709-R713 PolarHBondContact OD2-NE 3.09Å; D709-R713 IonicContact OD2-NH2 3.84Å; D709-R713 PolarHBondContact OD2-NH2 3.29Å
710	R	78.1	Confident	87	Confident	261 Å²	261	64.9 Å²	64.9	99%	0.985	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.7	179.1	-66.3	-176.1	178.4	-179.3	-1.4	114.3
711	Q	77.8	Confident	86.6	Confident	144 Å²	144	59.7 Å²	59.7	67%	0.673	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	4.2	175.6	-62.4	-173	-33.6	0	0	112	D709 R713	D709-Q711 PolarHBondContact O-N 2.88Å; D709-Q711 VanDerWaalsContact OD1-CA 3.29Å; D709-Q711 WeakPolarHBondContact OD1-CA 3.5Å; D709-Q711 WeakPolarHBondContact OD1-CB 3.42Å; D709-Q711 PolarHBondContact OD1-N 3Å; Q711-R713 VanDerWaalsContact C-N 3.29Å; Q711-R713 HydrophobicContact CB-CG 4.34Å; Q711-R713 VanDerWaalsContact OE1-NH2 3.15Å
712	G	72.6	Confident	86.2	Confident	51 Å²	51	61.5 Å²	61.5	53%	0.526	30%	0.298	S	S	.	.	S	Bend	trans	77.4	11	-177.2	0	0	0	0	0	113.9	D709	D709-G712 PolarHBondContact O-N 3.34Å; D709-G712 PolarHBondContact OD1-N 2.86Å; D709-G712 VanDerWaalsContact OD1-N 3.12Å
713	R	86.1	Confident	85.5	Confident	148 Å²	148	62.7 Å²	62.7	56%	0.558	30%	0.299	S	S	*	.			trans	-80.3	131	178	-58.1	178.4	-63.6	-168	-0.8	109.5	I708 D709 Q711	I708-R713 WeakPolarHBondContact CA-O 3.49Å; D709-R713 PolarHBondContact N-O 2.94Å; D709-R713 WeakPolarHBondContact OD1-CB 3.4Å; D709-R713 PolarHBondContact OD1-N 3.39Å; D709-R713 IonicContact OD1-NE 2.75Å; D709-R713 IonicContact OD2-CZ 3.71Å; D709-R713 IonicContact OD2-NE 2.91Å; D709-R713 PolarHBondContact OD2-NE 3.09Å; D709-R713 IonicContact OD2-NH2 3.84Å; D709-R713 PolarHBondContact OD2-NH2 3.29Å; Q711-R713 VanDerWaalsContact C-N 3.29Å; Q711-R713 HydrophobicContact CB-CG 4.34Å; Q711-R713 VanDerWaalsContact OE1-NH2 3.15Å
714	V	89.2	Confident	84.5	Confident	12 Å²	12	66.5 Å²	66.5	7%	0.073	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.1	-178.7	-172.5	0	0	0	0	109.5	V648 L670 A676 L677 V705 I708	V648-V714 HydrophobicContact CG1-CG1 3.92Å; V648-V714 HydrophobicContact CG1-CG2 4.46Å; L670-V714 HydrophobicContact CD1-CG1 3.97Å; A676-V714 CarbonylContact C-O 3.56Å; A676-V714 VanDerWaalsContact CA-O 3.26Å; A676-V714 WeakPolarHBondContact CA-O 3.32Å; A676-V714 HydrophobicContact CB-CB 3.93Å; A676-V714 HydrophobicContact CB-CG1 3.64Å; L677-V714 PolarHBondContact N-O 3.08Å; V705-V714 HydrophobicContact CG1-CG1 3.67Å; V705-V714 HydrophobicContact CG2-CG1 4.22Å; I708-V714 HydrophobicContact CG1-CG1 4.46Å; I708-V714 HydrophobicContact CG1-CG2 4.3Å
715	N	91	Very high	83.4	Confident	39 Å²	39	69.6 Å²	69.6	21%	0.209	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.1	169.4	-68.2	-63.8	0	0	0	109.4	L677 T706 E707	L677-N715 WeakPolarHBondContact O-CA 3.36Å; T706-N715 PolarHBondContact N-O 3.01Å; T706-N715 PolarHBondContact OG1-O 3.2Å; E707-N715 HydrophobicContact CB-CB 4.4Å; E707-N715 PolarHBondContact N-O 3.19Å; E707-N715 PolarHBondContact O-N 2.77Å
716	A	92.5	Very high	82.4	Confident	2 Å²	2	75.1 Å²	75.1	2%	0.017	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	161	179.1	0	0	0	0	0	111.7	A676 L677 V678 V703 K704	A676-A716 HydrophobicContact CB-CB 3.75Å; L677-A716 PolarHBondContact O-N 3.39Å; V678-A716 WeakPolarHBondContact CA-O 3.31Å; V678-A716 HydrophobicContact CG2-CB 4.18Å; V703-A716 HydrophobicContact CB-CB 3.98Å; V703-A716 HydrophobicContact CG2-CB 4.07Å; K704-A716 CarbonylContact O-C 3.46Å; K704-A716 WeakPolarHBondContact O-CA 3.11Å; K704-A716 WeakPolarHBondContact O-CB 3.21Å
717	S	90.8	Very high	81.3	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.007	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.1	179.5	-178.7	0	0	0	0	111	Q682 K704 K719 A720	Q682-S717 PolarHBondContact OE1-OG 3.24Å; K704-S717 PolarHBondContact N-O 3.3Å; K704-S717 PolarHBondContact O-N 3.37Å; S717-K719 PolarHBondContact OG-N 2.6Å; S717-A720 PolarHBondContact OG-N 2.97Å
718	R	90.8	Very high	80	Confident	70 Å²	70	76.3 Å²	76.3	26%	0.264	36%	0.364	S	S	.	.	S	Bend	trans	-79.3	-36.6	166	179	173.6	170	-158.1	-1	110.5	Q682 L683 V694 V703 A720 L721 L722	Q682-R718 PolarHBondContact O-N 2.83Å; L683-R718 VanDerWaalsContact O-CD 3.3Å; L683-R718 WeakPolarHBondContact O-CD 3.42Å; V694-R718 VanDerWaalsContact CG1-NH1 3.25Å; V703-R718 HydrophobicContact CG1-CB 4.32Å; R718-A720 VanDerWaalsContact C-N 3.28Å; R718-A720 PolarHBondContact O-N 2.92Å; R718-L721 WeakPolarHBondContact O-CB 3.32Å; R718-L721 PolarHBondContact O-N 3.33Å; R718-L721 VanDerWaalsContact O-N 3.11Å; R718-L722 HydrophobicContact CG-CD1 4.29Å; R718-L722 PolarHBondContact O-N 3.24Å
719	K	87.1	Confident	78.8	Confident	39 Å²	39	80.8 Å²	80.8	17%	0.17	38%	0.38	C	S	.	.	H	α-helix	trans	-58.3	-36.5	178.8	-170	-176	-166.7	119.8	0	113	Q682 A684 N685 S717 L721 L722 K723	Q682-K719 WeakPolarHBondContact O-CB 3.33Å; Q682-K719 PolarHBondContact O-N 3.29Å; A684-K719 VanDerWaalsContact O-CD 3.32Å; A684-K719 WeakPolarHBondContact O-CD 3.3Å; A684-K719 WeakPolarHBondContact O-CE 3.36Å; A684-K719 WeakPolarHBondContact O-CG 3.47Å; A684-K719 PolarHBondContact O-NZ 3.08Å; N685-K719 PolarHBondContact O-NZ 3.36Å; N685-K719 WeakPolarHBondContact OD1-CG 3.4Å; S717-K719 PolarHBondContact OG-N 2.6Å; K719-L721 PolarHBondContact O-N 3.28Å; K719-L722 PolarHBondContact O-N 2.74Å; K719-K723 PolarHBondContact O-N 2.88Å
720	A	83.2	Confident	77.7	Confident	27 Å²	27	83.4 Å²	83.4	22%	0.223	41%	0.406	C	S	.	.	H	α-helix	trans	-56.2	-40.1	176.5	0	0	0	0	0	111.9	K704 S717 R718 E724	K704-A720 HydrophobicContact CB-CB 4.48Å; K704-A720 HydrophobicContact CD-CB 4.41Å; S717-A720 PolarHBondContact OG-N 2.97Å; R718-A720 VanDerWaalsContact C-N 3.28Å; R718-A720 PolarHBondContact O-N 2.92Å; A720-E724 WeakPolarHBondContact O-CG 3.36Å; A720-E724 PolarHBondContact O-N 2.85Å
721	L	82.3	Confident	76.6	Confident	28 Å²	28	79.3 Å²	79.3	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-74.3	-41.5	179.1	-60.8	171.8	0	0	0	112.2	V653 L702 K704 R718 K719 K723 E724 E725	V653-L721 HydrophobicContact CG1-CD1 3.7Å; V653-L721 HydrophobicContact CG1-CD2 4.12Å; V653-L721 HydrophobicContact CG2-CD2 3.68Å; L702-L721 HydrophobicContact CB-CD1 3.84Å; K704-L721 HydrophobicContact CB-CD1 4.41Å; K704-L721 HydrophobicContact CB-CD2 4.05Å; K704-L721 HydrophobicContact CB-CG 4.07Å; K704-L721 HydrophobicContact CD-CD2 4.33Å; R718-L721 WeakPolarHBondContact O-CB 3.32Å; R718-L721 PolarHBondContact O-N 3.33Å; R718-L721 VanDerWaalsContact O-N 3.11Å; K719-L721 PolarHBondContact O-N 3.28Å; L721-K723 VanDerWaalsContact C-N 3.27Å; L721-K723 PolarHBondContact O-N 3.36Å; L721-E724 PolarHBondContact O-N 3.35Å; L721-E725 PolarHBondContact O-N 3.01Å
722	L	81.6	Confident	75.1	Confident	49 Å²	49	84 Å²	84	26%	0.257	42%	0.417	S	S	.	.	H	α-helix	trans	-60.5	-37.2	177.3	-65.2	172.7	0	0	0	111.9	R718 K719 E726	R718-L722 HydrophobicContact CG-CD1 4.29Å; R718-L722 PolarHBondContact O-N 3.24Å; K719-L722 PolarHBondContact O-N 2.74Å; L722-E726 PolarHBondContact O-N 3.44Å
723	K	75.6	Confident	75.2	Confident	118 Å²	118	85.7 Å²	85.7	51%	0.513	41%	0.411	S	S	.	.	H	α-helix	trans	-69.2	-40.1	174.8	-74.5	-174.6	174.8	-172.9	0	113.2	K719 L721 E725 E726 S727	K719-K723 PolarHBondContact O-N 2.88Å; L721-K723 VanDerWaalsContact C-N 3.27Å; L721-K723 PolarHBondContact O-N 3.36Å; K723-E725 VanDerWaalsContact C-N 3.32Å; K723-E726 PolarHBondContact O-N 3.31Å; K723-S727 PolarHBondContact O-N 2.99Å; K723-S727 PolarHBondContact O-OG 3.44Å
724	E	69.5	Low	74.6	Confident	79 Å²	79	82.4 Å²	82.4	37%	0.369	40%	0.403	S	S	.	.	H	α-helix	trans	-65.9	-34.5	177.3	-75.1	177.4	-164.8	0	0	111.9	K704 A720 L721 S727 K728	K704-E724 IonicContact NZ-OE1 3.56Å; K704-E724 PolarHBondContact NZ-OE1 2.74Å; A720-E724 WeakPolarHBondContact O-CG 3.36Å; A720-E724 PolarHBondContact O-N 2.85Å; L721-E724 PolarHBondContact O-N 3.35Å; E724-S727 PolarHBondContact O-OG 2.92Å; E724-K728 WeakPolarHBondContact O-CG 3.13Å; E724-K728 PolarHBondContact O-N 2.65Å; E724-K728 VanDerWaalsContact O-N 3.15Å
725	E	68	Low	73.8	Confident	117 Å²	117	86.3 Å²	86.3	55%	0.547	42%	0.422	S	S	.	.	H	α-helix	trans	-68.7	-40.1	173.5	-75.4	-170.3	166.3	0	0	112.8	L721 K723 K729	L721-E725 PolarHBondContact O-N 3.01Å; K723-E725 VanDerWaalsContact C-N 3.32Å; E725-K729 WeakPolarHBondContact O-CG 3.42Å; E725-K729 PolarHBondContact O-N 3.28Å; E725-K729 VanDerWaalsContact O-N 3.14Å
726	E	69.9	Low	72.8	Confident	117 Å²	117	89.1 Å²	89.1	55%	0.547	43%	0.434	S	S	.	.	H	α-helix	trans	-64.6	-41.9	175.3	-78.8	176.9	180	0	0	111.8	N685 L722 K723 K729 A730	N685-E726 PolarHBondContact ND2-OE1 3.17Å; N685-E726 PolarHBondContact ND2-OE2 3.32Å; L722-E726 PolarHBondContact O-N 3.44Å; K723-E726 PolarHBondContact O-N 3.31Å; E726-K729 PolarHBondContact O-N 3.5Å; E726-A730 PolarHBondContact O-N 2.91Å; E726-A730 VanDerWaalsContact O-N 3.14Å
727	S	64.9	Low	71.6	Confident	63 Å²	63	94.6 Å²	94.6	44%	0.441	46%	0.46	S	S	.	.	H	α-helix	trans	-65.3	-41.9	178	65.8	0	0	0	0	112.2	K723 E724 K729 A730 E731	K723-S727 PolarHBondContact O-N 2.99Å; K723-S727 PolarHBondContact O-OG 3.44Å; E724-S727 PolarHBondContact O-OG 2.92Å; S727-K729 VanDerWaalsContact C-N 3.26Å; S727-K729 PolarHBondContact O-N 3.1Å; S727-A730 PolarHBondContact O-N 2.67Å; S727-A730 VanDerWaalsContact O-N 3.09Å; S727-E731 PolarHBondContact O-N 2.94Å
728	K	60	Low	70.3	Confident	143 Å²	143	100.8 Å²	100.8	62%	0.622	49%	0.491	S	S	*	.	H	α-helix	trans	-64.4	-29.4	175.8	-77.4	-179.9	178.4	174.8	0	113.2	E724	E724-K728 WeakPolarHBondContact O-CG 3.13Å; E724-K728 PolarHBondContact O-N 2.65Å; E724-K728 VanDerWaalsContact O-N 3.15Å
729	K	60.2	Low	68.8	Low	160 Å²	160	103 Å²	103	70%	0.696	51%	0.507	S	S	*	.	H	α-helix	trans	-75.9	-23.4	173.4	-79.6	178.8	-179.7	170.4	0	113.3	E725 E726 S727	E725-K729 WeakPolarHBondContact O-CG 3.42Å; E725-K729 PolarHBondContact O-N 3.28Å; E725-K729 VanDerWaalsContact O-N 3.14Å; E726-K729 PolarHBondContact O-N 3.5Å; S727-K729 VanDerWaalsContact C-N 3.26Å; S727-K729 PolarHBondContact O-N 3.1Å
730	A	60.9	Low	67.4	Low	83 Å²	83	107.9 Å²	107.9	69%	0.686	53%	0.533	S	S	*	.	H	α-helix	trans	-84.2	-23.9	177.2	0	0	0	0	0	113.2	E726 S727	E726-A730 PolarHBondContact O-N 2.91Å; E726-A730 VanDerWaalsContact O-N 3.14Å; S727-A730 PolarHBondContact O-N 2.67Å; S727-A730 VanDerWaalsContact O-N 3.09Å
731	E	54.1	Low	66.1	Low	175 Å²	175	114.7 Å²	114.7	82%	0.818	56%	0.558	S	S	*	*	H	α-helix	trans	-85	-22.4	176	-74	-177.3	162.1	0	0	114.2	S727	S727-E731 PolarHBondContact O-N 2.94Å
732	K	46.5	Very low	64.7	Low	244 Å²	244	122.5 Å²	122.5	100%	1.061	60%	0.596	S	S	*	*			trans	-83.5	0	171.2	-102.9	-173.3	176.1	-178.3	0	110.9

Retrieved 732 of 732 residues in 543.1 ms (Link to these results)

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