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Inward rectifier potassium channel 2

Inward rectifier potassium channels are characterized by a greater tendency to allow potassium to flow into the cell rather than out of it. Their voltage dependence is regulated by the concentration of extracellular potassium; as external potassium is raised, the voltage range of the channel opening shifts to more positive voltages. The inward rectification is mainly due to the blockage of outward current by internal magnesium. Can be blocked by extracellular barium or cesium. Probably participates in establishing action potential waveform and excitability of neuronal and muscle tissues.

AlphaFold DB , UniProt , Accession P63253, Species MACMU (Macaca mulatta, Rhesus macaque), Gene KCNJ2, Length 427 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	33.5	Very low	31.5	Very low	250 Å²	250	148.7 Å²	148.7	100%	1.232	78%	0.783	S	S	*	*				0	105	0	-78.7	172.8	169.3	0	0	107.1
2	G	30.3	Very low	31.6	Very low	84 Å²	84	146.6 Å²	146.6	87%	0.866	78%	0.78	S	S	*	*			trans	-80.7	141.1	-170.1	0	0	0	0	0	112.8
3	S	34.2	Very low	31.8	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	74%	0.735	S	S	*	*			trans	-133.5	94.4	166	172.7	0	0	0	0	108.2	R5	S3-R5 PolarHBondContact O-N 3.41Å
4	V	32.5	Very low	32.4	Very low	139 Å²	139	132 Å²	132	84%	0.842	71%	0.713	S	S	*	*			trans	-72.6	110.7	164.8	176.1	0	0	0	0	107.1
5	R	34.6	Very low	33.1	Very low	214 Å²	214	128.9 Å²	128.9	81%	0.808	69%	0.692	S	S	*	*			trans	-100.4	102.8	170.7	-89.7	-175.3	172.8	-179.9	-2.6	109.6	S3 N7	S3-R5 PolarHBondContact O-N 3.41Å; R5-N7 PolarHBondContact O-N 3.45Å
6	T	31.3	Very low	33.6	Very low	130 Å²	130	124.9 Å²	124.9	80%	0.798	67%	0.668	S	S	*	*			trans	-80.2	102.2	168	-21	0	0	0	0	108.6
7	N	31.9	Very low	33.5	Very low	104 Å²	104	125.7 Å²	125.7	56%	0.556	67%	0.672	S	S	*	*			trans	-94.5	101.9	173.7	-93	-13.9	0	0	0	110.4	R5 Y9	R5-N7 PolarHBondContact O-N 3.45Å; N7-Y9 HydrophobicContact CB-CD2 4.01Å; N7-Y9 HydrophobicContact CB-CE2 3.53Å; N7-Y9 PolarHBondContact ND2-OH 3.1Å
8	R	29.6	Very low	33.3	Very low	250 Å²	250	122.4 Å²	122.4	94%	0.943	67%	0.673	S	S	*	*			trans	-80.8	109.8	162.2	-87.7	-176.9	174.8	177	-1	108.5
9	Y	31.7	Very low	33.2	Very low	166 Å²	166	125.9 Å²	125.9	65%	0.651	69%	0.686	S	S	*	*			trans	-99.7	121.2	168.9	-71.6	-73.6	0	0	0	110	N7	N7-Y9 HydrophobicContact CB-CD2 4.01Å; N7-Y9 HydrophobicContact CB-CE2 3.53Å; N7-Y9 PolarHBondContact ND2-OH 3.1Å
10	S	26	Very low	33	Very low	105 Å²	105	129.7 Å²	129.7	73%	0.734	70%	0.696	S	S	*	*			trans	-81.5	118.9	174.1	69.5	0	0	0	0	110.2	V12	S10-V12 PolarHBondContact O-N 3.13Å
11	I	31.3	Very low	32.7	Very low	95 Å²	95	131.3 Å²	131.3	49%	0.487	70%	0.704	S	S	.	*			trans	-76.7	104.8	170.2	-63.2	170.4	0	0	0	107.8	S13	I11-S13 PolarHBondContact O-N 3.48Å
12	V	31.8	Very low	32.6	Very low	123 Å²	123	123.6 Å²	123.6	75%	0.745	68%	0.679	S	S	*	*			trans	-77.8	99.6	170.3	-179.6	0	0	0	0	108	S10	S10-V12 PolarHBondContact O-N 3.13Å
13	S	34.4	Very low	32.5	Very low	29 Å²	29	125.8 Å²	125.8	20%	0.203	68%	0.676	C	S	.	*			trans	-76	120.3	170.5	-167.6	0	0	0	0	109.3	I11 E15	I11-S13 PolarHBondContact O-N 3.48Å; S13-E15 PolarHBondContact O-N 2.75Å
14	S	40.3	Very low	32.4	Very low	60 Å²	60	129.6 Å²	129.6	42%	0.42	69%	0.685	S	S	.	*			trans	-71.6	94	169.6	174.2	0	0	0	0	108.3	E16	S14-E16 VanDerWaalsContact C-N 3.34Å; S14-E16 PolarHBondContact O-N 3.09Å
15	E	43.6	Very low	32.4	Very low	85 Å²	85	127.5 Å²	127.5	40%	0.397	68%	0.682	S	S	.	*			trans	-65.4	89	170.6	-68.4	-171	136.8	0	0	109.7	S13 K64	S13-E15 PolarHBondContact O-N 2.75Å; E15-K64 IonicContact OE1-NZ 2.63Å; E15-K64 IonicContact OE2-NZ 3.6Å; E15-K64 PolarHBondContact OE2-NZ 3.18Å
16	E	40	Very low	32.2	Very low	66 Å²	66	123.8 Å²	123.8	31%	0.308	68%	0.683	S	S	.	*			trans	-112.3	124.5	157.5	-84.2	-175.1	179.5	0	0	108.1	S14 K187	S14-E16 VanDerWaalsContact C-N 3.34Å; S14-E16 PolarHBondContact O-N 3.09Å; E16-K187 IonicContact OE1-NZ 3.12Å; E16-K187 PolarHBondContact OE1-NZ 2.84Å; E16-K187 IonicContact OE2-NZ 3.66Å; E16-K187 PolarHBondContact OE2-NZ 3.47Å
17	D	31.9	Very low	32.4	Very low	138 Å²	138	122.1 Å²	122.1	74%	0.738	68%	0.682	S	S	*	*			trans	88.6	75	-177.4	-62	-36.4	0	0	0	117.3	R80	D17-R80 IonicContact OD1-CZ 3.49Å; D17-R80 IonicContact OD1-NH1 3.02Å; D17-R80 IonicContact OD1-NH2 2.82Å; D17-R80 PolarHBondContact OD1-NH2 3.36Å; D17-R80 IonicContact OD2-NH2 3.71Å
18	G	30.9	Very low	32.3	Very low	67 Å²	67	125 Å²	125	69%	0.691	70%	0.697	S	S	*	*			trans	-145.7	50.1	169.8	0	0	0	0	0	113.8
19	M	31	Very low	32.6	Very low	188 Å²	188	116.4 Å²	116.4	93%	0.926	69%	0.687	S	S	*	*			trans	-129.4	68.8	164.3	-153.6	163.9	-117.4	0	0	109.4
20	K	29.3	Very low	32.6	Very low	202 Å²	202	119.2 Å²	119.2	88%	0.878	70%	0.703	S	S	*	*			trans	-125.2	108	158.7	-75	-171.1	177.2	-178.5	0	107.1	A22	K20-A22 PolarHBondContact O-N 3.1Å; K20-A22 VanDerWaalsContact O-N 3.1Å
21	L	27.5	Very low	33.1	Very low	164 Å²	164	117.7 Å²	117.7	86%	0.859	70%	0.704	S	S	*	*			trans	-52.9	111.6	162.2	-108.3	79.1	0	0	0	107.4
22	A	30.2	Very low	33.3	Very low	87 Å²	87	121.9 Å²	121.9	72%	0.719	73%	0.728	S	S	*	*			trans	-110.5	89.8	160.1	0	0	0	0	0	107	K20 M24	K20-A22 PolarHBondContact O-N 3.1Å; K20-A22 VanDerWaalsContact O-N 3.1Å; A22-M24 PolarHBondContact O-N 3.4Å; A22-M24 VanDerWaalsContact O-N 3.11Å
23	T	28.9	Very low	33.6	Very low	130 Å²	130	118.6 Å²	118.6	80%	0.798	72%	0.719	S	S	*	*			trans	-62	100.7	162.5	11.4	0	0	0	0	108	A25	T23-A25 PolarHBondContact O-N 3.32Å
24	M	31.4	Very low	33.8	Very low	180 Å²	180	128 Å²	128	89%	0.887	76%	0.756	S	S	*	*			trans	-80.2	100.8	162.9	-77.8	-168.4	175	0	0	108.1	A22 V26	A22-M24 PolarHBondContact O-N 3.4Å; A22-M24 VanDerWaalsContact O-N 3.11Å; M24-V26 PolarHBondContact O-N 3.45Å
25	A	33.2	Very low	33.6	Very low	94 Å²	94	130.1 Å²	130.1	78%	0.777	77%	0.77	S	S	*	*			trans	-64.8	119.4	167.9	0	0	0	0	0	109.4	T23 A27	T23-A25 PolarHBondContact O-N 3.32Å; A25-A27 PolarHBondContact O-N 3.5Å
26	V	29.9	Very low	33.3	Very low	136 Å²	136	135.2 Å²	135.2	82%	0.824	79%	0.792	S	S	*	*			trans	-72.1	108	164.8	176.9	0	0	0	0	107	M24	M24-V26 PolarHBondContact O-N 3.45Å
27	A	35	Very low	33.1	Very low	95 Å²	95	138 Å²	138	79%	0.785	81%	0.813	S	S	*	*			trans	-112.6	95.9	171.7	0	0	0	0	0	109.6	A25	A25-A27 PolarHBondContact O-N 3.5Å
28	N	30.5	Very low	33.2	Very low	164 Å²	164	139.5 Å²	139.5	88%	0.877	82%	0.815	S	S	*	*			trans	-65.2	123.5	157.7	-83.8	-21.2	0	0	0	108.5
29	G	35.2	Very low	33.3	Very low	70 Å²	70	142.5 Å²	142.5	72%	0.722	82%	0.82	S	S	*	*			trans	-162.5	98.4	177.4	0	0	0	0	0	112.2	G31	G29-G31 PolarHBondContact O-N 3.08Å
30	F	32.5	Very low	33.5	Very low	225 Å²	225	144.2 Å²	144.2	99%	0.987	82%	0.816	S	S	*	*			trans	-55.9	123.1	168.1	-87.2	-109.3	0	0	0	110.5
31	G	36.9	Very low	34	Very low	74 Å²	74	143.2 Å²	143.2	76%	0.763	82%	0.815	S	S	*	*			trans	-156.7	101.7	179.7	0	0	0	0	0	111.9	G29 G33	G29-G31 PolarHBondContact O-N 3.08Å; G31-G33 PolarHBondContact O-N 3.06Å
32	N	34.3	Very low	34.8	Very low	183 Å²	183	144.5 Å²	144.5	98%	0.979	82%	0.816	S	S	*	*			trans	-68.6	114.6	-178.4	-157.1	11	0	0	0	110.4
33	G	38.5	Very low	36.1	Very low	54 Å²	54	144.8 Å²	144.8	56%	0.557	81%	0.812	S	S	*	*			trans	-169.4	107.7	-178.6	0	0	0	0	0	113.4	G31 S35	G31-G33 PolarHBondContact O-N 3.06Å; G33-S35 PolarHBondContact O-N 3.19Å; G33-S35 PolarHBondContact O-OG 3.31Å
34	K	38.3	Very low	38	Very low	226 Å²	226	142.5 Å²	142.5	98%	0.983	79%	0.788	S	S	*	*			trans	-52.3	95.1	174.4	-67.5	176.3	176.5	177.1	0	111
35	S	36.6	Very low	40.3	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	78%	0.776	S	S	*	*			trans	-122.1	124.4	175.6	-63.4	0	0	0	0	109.3	G33 V37	G33-S35 PolarHBondContact O-N 3.19Å; G33-S35 PolarHBondContact O-OG 3.31Å; S35-V37 PolarHBondContact O-N 2.77Å
36	K	36.6	Very low	43.1	Very low	193 Å²	193	135.7 Å²	135.7	84%	0.839	75%	0.746	S	S	*	*			trans	-45.9	121.2	177.8	-72.5	174.1	173.6	177.6	0	110.5	H38	K36-H38 VanDerWaalsContact C-N 3.33Å; K36-H38 PolarHBondContact O-N 3.24Å
37	V	35.7	Very low	46.2	Very low	124 Å²	124	132 Å²	132	75%	0.752	72%	0.719	S	S	*	*			trans	-67.4	93.3	171.2	179.1	0	0	0	0	107.6	S35 T39	S35-V37 PolarHBondContact O-N 2.77Å; V37-T39 VanDerWaalsContact C-N 3.34Å; V37-T39 HydrophobicContact CG1-CG2 4.05Å; V37-T39 PolarHBondContact O-N 2.88Å
38	H	34.3	Very low	49	Very low	170 Å²	170	127.6 Å²	127.6	79%	0.787	68%	0.683	S	S	*	*			trans	-75.9	94	157.6	-85.6	-41.7	0	0	0	107.2	K36 R40	K36-H38 VanDerWaalsContact C-N 3.33Å; K36-H38 PolarHBondContact O-N 3.24Å; H38-R40 PolarHBondContact O-N 3.43Å
39	T	33.9	Very low	52	Low	130 Å²	130	124.6 Å²	124.6	80%	0.798	66%	0.662	S	S	*	*			trans	-63.8	70.9	157.3	30.1	0	0	0	0	108.8	V37 Q41	V37-T39 VanDerWaalsContact C-N 3.34Å; V37-T39 HydrophobicContact CG1-CG2 4.05Å; V37-T39 PolarHBondContact O-N 2.88Å; T39-Q41 PolarHBondContact O-N 2.91Å; T39-Q41 VanDerWaalsContact O-N 3.17Å
40	R	34.8	Very low	54.8	Low	224 Å²	224	124.2 Å²	124.2	85%	0.845	64%	0.641	S	S	*	*			trans	-70.5	103.5	155.2	-96.5	-175.9	170.6	173.2	-2.6	105	H38 Q42	H38-R40 PolarHBondContact O-N 3.43Å; R40-Q42 VanDerWaalsContact C-N 3.34Å; R40-Q42 PolarHBondContact O-N 3.03Å
41	Q	40.1	Very low	57.6	Low	181 Å²	181	118.3 Å²	118.3	85%	0.846	62%	0.619	S	S	*	*			trans	-43.2	107.1	158	-95.6	168.6	-34.9	0	0	106.6	T39 C43	T39-Q41 PolarHBondContact O-N 2.91Å; T39-Q41 VanDerWaalsContact O-N 3.17Å; Q41-C43 PolarHBondContact O-N 3.29Å
42	Q	43.6	Very low	60.2	Low	190 Å²	190	115 Å²	115	89%	0.888	59%	0.585	S	S	*	*			trans	-68.7	93.8	173.5	-80.7	-177.9	-21	0	0	105.7	R40 R44	R40-Q42 VanDerWaalsContact C-N 3.34Å; R40-Q42 PolarHBondContact O-N 3.03Å; Q42-R44 PolarHBondContact O-N 2.94Å
43	C	58.4	Low	62.9	Low	93 Å²	93	110.1 Å²	110.1	63%	0.628	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-52.3	125.8	171	-170.7	0	0	0	0	107.6	Q41	Q41-C43 PolarHBondContact O-N 3.29Å
44	R	67.6	Low	65.5	Low	82 Å²	82	108.9 Å²	108.9	31%	0.309	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-55.4	145.8	-171.6	-174.2	178.9	171.6	160.5	4.5	110.9	Q42 R46 S234 P244 D291	Q42-R44 PolarHBondContact O-N 2.94Å; R44-R46 PolarHBondContact O-N 3.28Å; R44-S234 PolarHBondContact NH1-OG 2.98Å; R44-P244 PolarHBondContact NH2-O 3.45Å; R44-D291 VanDerWaalsContact CB-OD1 3.29Å; R44-D291 WeakPolarHBondContact CB-OD1 3.3Å; R44-D291 WeakPolarHBondContact CD-OD2 3.46Å
45	S	81	Confident	68.1	Low	89 Å²	89	101.7 Å²	101.7	62%	0.622	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-65.8	132.7	172.9	-165.9	0	0	0	0	110	N55	S45-N55 PolarHBondContact OG-ND2 2.83Å
46	R	92.2	Very high	70.6	Confident	42 Å²	42	99.3 Å²	99.3	16%	0.158	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-63.6	136.9	175.8	-175.7	-170.3	-65.5	-118.2	10	111.6	R44 V48 N55 E293 S314 L316 E319	R44-R46 PolarHBondContact O-N 3.28Å; R46-V48 WeakPolarHBondContact CD-O 3.49Å; R46-V48 WeakPolarHBondContact CG-O 3.46Å; R46-N55 WeakPolarHBondContact O-CB 3.38Å; R46-N55 PolarHBondContact O-ND2 3.42Å; R46-N55 VanDerWaalsContact O-ND2 3.1Å; R46-E293 VanDerWaalsContact CG-OE1 3.24Å; R46-E293 WeakPolarHBondContact CG-OE1 3.33Å; R46-S314 WeakPolarHBondContact CD-OG 3.49Å; R46-S314 PolarHBondContact NH1-O 3.34Å; R46-S314 PolarHBondContact NH1-OG 2.69Å; R46-L316 HydrophobicContact CB-CD2 4.12Å; R46-L316 HydrophobicContact CG-CD2 4.05Å; R46-E319 IonicContact CZ-OE1 2.59Å; R46-E319 IonicContact CZ-OE2 2.73Å; R46-E319 IonicContact NH1-OE1 3.95Å; R46-E319 IonicContact NH1-OE2 3.79Å; R46-E319 PolarHBondContact NH1-OE2 2.82Å; R46-E319 IonicContact NH2-OE1 3.31Å; R46-E319 PolarHBondContact NH2-OE1 3.02Å; R46-E319 IonicContact NH2-OE2 3.08Å; R46-E319 PolarHBondContact NH2-OE2 3.18Å; R46-E319 VanDerWaalsContact NH2-OE2 3.12Å
47	F	93.4	Very high	73	Confident	58 Å²	58	97.1 Å²	97.1	25%	0.254	49%	0.485	S	S	.	.	S	Bend	trans	-78.8	-42.8	179	-172.6	-106.3	0	0	0	112.8	N55 V56 L232 L245 E293	F47-N55 PolarHBondContact O-N 3.47Å; F47-V56 HydrophobicContact CD2-CG2 3.65Å; F47-V56 HydrophobicContact CE2-CG2 3.15Å; F47-V56 HydrophobicContact CZ-CG2 3.65Å; F47-L232 HydrophobicContact CB-CD1 3.9Å; F47-L232 HydrophobicContact CD1-CD1 3.47Å; F47-L232 VanDerWaalsContact CD1-CD1 3.47Å; F47-L232 HydrophobicContact CE1-CD1 4.3Å; F47-L232 HydrophobicContact CG-CD1 3.93Å; F47-L245 HydrophobicContact CB-CD1 4.15Å; F47-L245 HydrophobicContact CD1-CD2 4.5Å; F47-L245 HydrophobicContact CD2-CD1 3.92Å; F47-L245 HydrophobicContact CD2-CD2 4.3Å; F47-L245 HydrophobicContact CE1-CD2 4.48Å; F47-L245 HydrophobicContact CE2-CD2 4.22Å; F47-L245 HydrophobicContact CG-CD1 4.08Å; F47-L245 HydrophobicContact CG-CD2 4.44Å; F47-L245 HydrophobicContact CZ-CD2 4.34Å; F47-E293 WeakPolarHBondContact CB-OE2 3.46Å; F47-E293 PolarHBondContact N-OE2 3.27Å
48	V	94.8	Very high	75.5	Confident	4 Å²	4	96.5 Å²	96.5	2%	0.024	47%	0.472	C	S	.	.	B	Isolated β-bridge	trans	-121	121.6	174.6	176.6	0	0	0	0	108.8	R46 E293 V295 R312 S314	R46-V48 WeakPolarHBondContact CD-O 3.49Å; R46-V48 WeakPolarHBondContact CG-O 3.46Å; V48-E293 PolarHBondContact N-OE1 3.24Å; V48-V295 HydrophobicContact CB-CG2 4.16Å; V48-V295 HydrophobicContact CG2-CG1 4.16Å; V48-V295 HydrophobicContact CG2-CG2 3.96Å; V48-R312 HydrophobicContact CG1-CB 4.29Å; V48-S314 VanDerWaalsContact O-CB 3.29Å; V48-S314 WeakPolarHBondContact O-CB 3.38Å; V48-S314 PolarHBondContact O-OG 3.16Å
49	K	94.4	Very high	78	Confident	101 Å²	101	94.4 Å²	94.4	44%	0.439	47%	0.465	S	S	.	.			trans	-64.8	162.6	177.4	-69.8	178	-174.3	173.7	0	112.1	D51 G52 H53	K49-D51 WeakPolarHBondContact CB-OD1 3.48Å; K49-D51 PolarHBondContact O-N 3.45Å; K49-D51 VanDerWaalsContact O-N 3.11Å; K49-G52 PolarHBondContact O-N 3.42Å; K49-H53 HydrophobicContact CD-CB 4.47Å; K49-H53 PolarHBondContact N-O 2.99Å
50	K	93.5	Very high	80.4	Confident	61 Å²	61	95.9 Å²	95.9	27%	0.265	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.1	178.5	-62.7	-62.5	-74.4	-170.1	0	113.6	G52 H197 S313 S314 Y315 E319	K50-G52 VanDerWaalsContact C-N 3.28Å; K50-H197 VanDerWaalsContact CE-O 3.27Å; K50-H197 WeakPolarHBondContact CE-O 3.49Å; K50-H197 PolarHBondContact NZ-O 2.77Å; K50-S313 PolarHBondContact O-OG 3.03Å; K50-S314 VanDerWaalsContact CD-O 3.3Å; K50-S314 WeakPolarHBondContact CD-O 3.23Å; K50-S314 WeakPolarHBondContact CE-O 3.38Å; K50-S314 PolarHBondContact NZ-O 2.84Å; K50-Y315 VanDerWaalsContact NZ-CD1 3.33Å; K50-E319 IonicContact NZ-OE1 2.64Å; K50-E319 IonicContact NZ-OE2 3.59Å; K50-E319 PolarHBondContact NZ-OE2 3.26Å
51	D	91.2	Very high	82.6	Confident	101 Å²	101	88.5 Å²	88.5	54%	0.54	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-0.8	177.5	65.5	-7.2	0	0	0	113.5	K49 H53	K49-D51 WeakPolarHBondContact CB-OD1 3.48Å; K49-D51 PolarHBondContact O-N 3.45Å; K49-D51 VanDerWaalsContact O-N 3.11Å; D51-H53 IonicContact OD1-CG 3.64Å; D51-H53 PolarHBondContact OD1-N 2.93Å; D51-H53 VanDerWaalsContact OD1-N 3.14Å; D51-H53 IonicContact OD1-ND1 3.96Å; D51-H53 PolarHBondContact OD1-ND1 2.88Å; D51-H53 IonicContact OD2-CE1 2.61Å; D51-H53 IonicContact OD2-CG 2.88Å; D51-H53 IonicContact OD2-ND1 3.02Å; D51-H53 PolarHBondContact OD2-ND1 2.99Å
52	G	91.5	Very high	84.6	Confident	4 Å²	4	82.3 Å²	82.3	4%	0.041	43%	0.433	C	S	.	.	S	Bend	trans	87.9	0.1	177.7	0	0	0	0	0	115.3	K49 K50 R312	K49-G52 PolarHBondContact O-N 3.42Å; K50-G52 VanDerWaalsContact C-N 3.28Å; G52-R312 WeakPolarHBondContact CA-O 3.22Å; G52-R312 PolarHBondContact N-O 3.32Å; G52-R312 PolarHBondContact O-NE 2.96Å; G52-R312 PolarHBondContact O-NH2 3.11Å
53	H	91.5	Very high	86.3	Confident	82 Å²	82	78.8 Å²	78.8	38%	0.38	42%	0.416	S	S	.	.			trans	-73.5	128.2	174	-68.6	96.2	0	0	0	110.7	K49 D51	K49-H53 HydrophobicContact CD-CB 4.47Å; K49-H53 PolarHBondContact N-O 2.99Å; D51-H53 IonicContact OD1-CG 3.64Å; D51-H53 PolarHBondContact OD1-N 2.93Å; D51-H53 VanDerWaalsContact OD1-N 3.14Å; D51-H53 IonicContact OD1-ND1 3.96Å; D51-H53 PolarHBondContact OD1-ND1 2.88Å; D51-H53 IonicContact OD2-CE1 2.61Å; D51-H53 IonicContact OD2-CG 2.88Å; D51-H53 IonicContact OD2-ND1 3.02Å; D51-H53 PolarHBondContact OD2-ND1 2.99Å
54	C	92.8	Very high	87.4	Confident	28 Å²	28	77.9 Å²	77.9	19%	0.189	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-75.3	130.4	176.3	-56.4	0	0	0	0	110	V56	C54-V56 VanDerWaalsContact C-N 3.31Å; C54-V56 PolarHBondContact O-N 3.36Å
55	N	91.8	Very high	88	Confident	75 Å²	75	76.4 Å²	76.4	40%	0.401	41%	0.412	S	S	.	.			trans	-93.9	58.2	-179.5	-170	36.4	0	0	0	110.6	S45 R46 F47	S45-N55 PolarHBondContact OG-ND2 2.83Å; R46-N55 WeakPolarHBondContact O-CB 3.38Å; R46-N55 PolarHBondContact O-ND2 3.42Å; R46-N55 VanDerWaalsContact O-ND2 3.1Å; F47-N55 PolarHBondContact O-N 3.47Å
56	V	89.9	Confident	88.2	Confident	53 Å²	53	78.8 Å²	78.8	32%	0.321	41%	0.413	S	S	.	.			trans	-132.2	134.2	-176.7	-176.4	0	0	0	0	109	F47 C54 F58	F47-V56 HydrophobicContact CD2-CG2 3.65Å; F47-V56 HydrophobicContact CE2-CG2 3.15Å; F47-V56 HydrophobicContact CZ-CG2 3.65Å; C54-V56 VanDerWaalsContact C-N 3.31Å; C54-V56 PolarHBondContact O-N 3.36Å; V56-F58 HydrophobicContact CG1-CE1 4.31Å; V56-F58 HydrophobicContact CG1-CZ 4.36Å
57	Q	87.6	Confident	87.8	Confident	147 Å²	147	84 Å²	84	69%	0.687	43%	0.433	S	S	*	.			trans	-119	125.7	174.2	-173.2	175.6	14.5	0	0	109.6
58	F	86.8	Confident	87.4	Confident	111 Å²	111	86.6 Å²	86.6	49%	0.487	44%	0.442	S	S	.	.			trans	-84.7	124.5	175.5	-57.3	-75.3	0	0	0	110.3	V56 V61	V56-F58 HydrophobicContact CG1-CE1 4.31Å; V56-F58 HydrophobicContact CG1-CZ 4.36Å; F58-V61 HydrophobicContact CB-CG2 3.85Å
59	I	86.6	Confident	86.9	Confident	126 Å²	126	92.2 Å²	92.2	65%	0.646	47%	0.471	S	S	*	.			trans	-115.9	152.8	175.6	60.4	171.2	0	0	0	110	V61	I59-V61 VanDerWaalsContact C-N 3.28Å; I59-V61 PolarHBondContact O-N 3.08Å
60	N	84.3	Confident	86.6	Confident	161 Å²	161	91.7 Å²	91.7	86%	0.861	49%	0.486	S	S	*	.			trans	56	34.7	177	-60.7	-21.6	0	0	0	115.3	G62	N60-G62 PolarHBondContact O-N 2.93Å; N60-G62 VanDerWaalsContact O-N 3.17Å
61	V	81.6	Confident	86.4	Confident	69 Å²	69	92.4 Å²	92.4	42%	0.418	49%	0.492	S	S	.	.			trans	-76.8	102.3	170.4	-174.2	0	0	0	0	108.6	F58 I59 K64	F58-V61 HydrophobicContact CB-CG2 3.85Å; I59-V61 VanDerWaalsContact C-N 3.28Å; I59-V61 PolarHBondContact O-N 3.08Å; V61-K64 HydrophobicContact CB-CB 4.45Å; V61-K64 HydrophobicContact CG1-CB 4.43Å
62	G	82.5	Confident	86.3	Confident	51 Å²	51	92.8 Å²	92.8	53%	0.526	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	143.6	173.7	0	0	0	0	0	111.6	N60 K64	N60-G62 PolarHBondContact O-N 2.93Å; N60-G62 VanDerWaalsContact O-N 3.17Å; G62-K64 PolarHBondContact O-N 3.31Å; G62-K64 VanDerWaalsContact O-N 3.09Å
63	E	79.6	Confident	86.2	Confident	117 Å²	117	98 Å²	98	55%	0.547	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	16.6	175.4	-51.8	170.6	160.6	0	0	115.8	G65 Q66 R67	E63-G65 VanDerWaalsContact C-N 3.26Å; E63-G65 PolarHBondContact O-N 2.91Å; E63-G65 VanDerWaalsContact O-N 3.17Å; E63-Q66 PolarHBondContact O-N 3.49Å; E63-Q66 VanDerWaalsContact O-N 3.09Å; E63-R67 HydrophobicContact CB-CG 4.48Å; E63-R67 WeakPolarHBondContact O-CG 3.28Å; E63-R67 PolarHBondContact O-N 3.18Å; E63-R67 IonicContact OE2-CZ 3.93Å; E63-R67 IonicContact OE2-NE 3.1Å; E63-R67 PolarHBondContact OE2-NE 3.4Å; E63-R67 IonicContact OE2-NH2 3.63Å; E63-R67 PolarHBondContact OE2-NH2 3.27Å
64	K	81.1	Confident	86	Confident	74 Å²	74	96.8 Å²	96.8	32%	0.322	51%	0.513	S	S	.	.	H	α-helix	trans	-49.7	-46.7	-179.1	-170.1	174.4	-176.6	171.4	0	111.9	E15 V61 G62 Q66 R67 Y68	E15-K64 IonicContact OE1-NZ 2.63Å; E15-K64 IonicContact OE2-NZ 3.6Å; E15-K64 PolarHBondContact OE2-NZ 3.18Å; V61-K64 HydrophobicContact CB-CB 4.45Å; V61-K64 HydrophobicContact CG1-CB 4.43Å; G62-K64 PolarHBondContact O-N 3.31Å; G62-K64 VanDerWaalsContact O-N 3.09Å; K64-Q66 PolarHBondContact O-N 2.89Å; K64-R67 PolarHBondContact O-N 3.19Å; K64-Y68 HydrophobicContact CD-CE2 4.23Å; K64-Y68 VanDerWaalsContact CE-CZ 3.5Å; K64-Y68 WeakPolarHBondContact CE-OH 3.39Å; K64-Y68 HydrophobicContact CG-CD2 3.85Å; K64-Y68 HydrophobicContact CG-CE2 3.53Å; K64-Y68 WeakPolarHBondContact O-CD2 3.49Å; K64-Y68 PolarHBondContact O-N 2.94Å
65	G	80.5	Confident	86	Confident	50 Å²	50	97.3 Å²	97.3	52%	0.515	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-46.8	179.4	0	0	0	0	0	113.6	E63 R67 Y68 L69	E63-G65 VanDerWaalsContact C-N 3.26Å; E63-G65 PolarHBondContact O-N 2.91Å; E63-G65 VanDerWaalsContact O-N 3.17Å; G65-R67 PolarHBondContact O-N 3.41Å; G65-Y68 PolarHBondContact O-N 2.91Å; G65-L69 WeakPolarHBondContact O-CB 3.43Å; G65-L69 WeakPolarHBondContact O-CG 3.18Å; G65-L69 PolarHBondContact O-N 2.96Å
66	Q	83.7	Confident	85.9	Confident	140 Å²	140	94.8 Å²	94.8	65%	0.654	50%	0.503	S	S	*	.	H	α-helix	trans	-66.8	-38.4	-178.7	-173.3	176.1	0.6	0	0	111.8	E63 K64 L69 A70	E63-Q66 PolarHBondContact O-N 3.49Å; E63-Q66 VanDerWaalsContact O-N 3.09Å; K64-Q66 PolarHBondContact O-N 2.89Å; Q66-L69 PolarHBondContact O-N 2.87Å; Q66-A70 PolarHBondContact O-N 3.24Å
67	R	85.5	Confident	86	Confident	152 Å²	152	92.4 Å²	92.4	57%	0.574	49%	0.489	S	S	*	.	H	α-helix	trans	-66.8	-40.5	177.5	-66.1	-178.9	-173.5	-165	2	112.1	E63 K64 G65 L69 A70 D71	E63-R67 HydrophobicContact CB-CG 4.48Å; E63-R67 WeakPolarHBondContact O-CG 3.28Å; E63-R67 PolarHBondContact O-N 3.18Å; E63-R67 IonicContact OE2-CZ 3.93Å; E63-R67 IonicContact OE2-NE 3.1Å; E63-R67 PolarHBondContact OE2-NE 3.4Å; E63-R67 IonicContact OE2-NH2 3.63Å; E63-R67 PolarHBondContact OE2-NH2 3.27Å; K64-R67 PolarHBondContact O-N 3.19Å; G65-R67 PolarHBondContact O-N 3.41Å; R67-L69 VanDerWaalsContact C-N 3.33Å; R67-A70 PolarHBondContact O-N 2.95Å; R67-D71 PolarHBondContact O-N 3.21Å
68	Y	84.5	Confident	86.1	Confident	111 Å²	111	89 Å²	89	44%	0.435	48%	0.475	S	S	.	.	H	α-helix	trans	-68.3	-33.4	175.7	-81	-120.8	0	0	0	111.8	K64 G65 D71 I72 T75	K64-Y68 HydrophobicContact CD-CE2 4.23Å; K64-Y68 VanDerWaalsContact CE-CZ 3.5Å; K64-Y68 WeakPolarHBondContact CE-OH 3.39Å; K64-Y68 HydrophobicContact CG-CD2 3.85Å; K64-Y68 HydrophobicContact CG-CE2 3.53Å; K64-Y68 WeakPolarHBondContact O-CD2 3.49Å; K64-Y68 PolarHBondContact O-N 2.94Å; G65-Y68 PolarHBondContact O-N 2.91Å; Y68-D71 CarbonylContact O-C 3.6Å; Y68-D71 PolarHBondContact O-N 2.91Å; Y68-I72 PolarHBondContact O-N 2.97Å; Y68-T75 HydrophobicContact CD1-CG2 4.41Å; Y68-T75 PolarHBondContact O-OG1 3.39Å
69	L	83.5	Confident	86.3	Confident	123 Å²	123	86.2 Å²	86.2	64%	0.644	47%	0.465	S	S	*	.	H	α-helix	trans	-75.2	-24.3	173.6	-71.2	175.6	0	0	0	113.5	G65 Q66 R67 D71 I72	G65-L69 WeakPolarHBondContact O-CB 3.43Å; G65-L69 WeakPolarHBondContact O-CG 3.18Å; G65-L69 PolarHBondContact O-N 2.96Å; Q66-L69 PolarHBondContact O-N 2.87Å; R67-L69 VanDerWaalsContact C-N 3.33Å; L69-D71 VanDerWaalsContact C-N 3.27Å; L69-I72 WeakPolarHBondContact O-CD1 3.31Å; L69-I72 WeakPolarHBondContact O-CG1 3.22Å
70	A	88.2	Confident	86.6	Confident	90 Å²	90	84.3 Å²	84.3	74%	0.744	45%	0.45	S	S	*	.	H	α-helix	trans	-70.2	-30.6	169.7	0	0	0	0	0	111.1	Q66 R67	Q66-A70 PolarHBondContact O-N 3.24Å; R67-A70 PolarHBondContact O-N 2.95Å
71	D	89.7	Confident	87.1	Confident	76 Å²	76	82.1 Å²	82.1	41%	0.406	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	54.7	178.4	-166.4	9.1	0	0	0	112.1	R67 Y68 L69 F73 T74 T75	R67-D71 PolarHBondContact O-N 3.21Å; Y68-D71 CarbonylContact O-C 3.6Å; Y68-D71 PolarHBondContact O-N 2.91Å; L69-D71 VanDerWaalsContact C-N 3.27Å; D71-F73 VanDerWaalsContact C-N 3.25Å; D71-F73 PolarHBondContact O-N 3.36Å; D71-T74 PolarHBondContact O-N 2.85Å; D71-T74 WeakPolarHBondContact OD1-CB 3.4Å; D71-T74 PolarHBondContact OD1-N 3.4Å; D71-T74 PolarHBondContact OD1-OG1 3.44Å; D71-T74 WeakPolarHBondContact OD2-CB 3.32Å; D71-T74 PolarHBondContact OD2-OG1 3.07Å; D71-T75 WeakPolarHBondContact O-CB 3.42Å; D71-T75 PolarHBondContact O-N 3.13Å; D71-T75 PolarHBondContact O-OG1 3.39Å
72	I	88.5	Confident	87.7	Confident	109 Å²	109	85.2 Å²	85.2	56%	0.559	43%	0.434	S	S	*	.	H	α-helix	trans	-58.6	-37.7	-178.9	-77.2	153.9	0	0	0	111.6	Y68 L69 T75 C76	Y68-I72 PolarHBondContact O-N 2.97Å; L69-I72 WeakPolarHBondContact O-CD1 3.31Å; L69-I72 WeakPolarHBondContact O-CG1 3.22Å; I72-T75 PolarHBondContact O-N 3.12Å; I72-C76 WeakPolarHBondContact O-CB 3.3Å; I72-C76 PolarHBondContact O-N 3.13Å
73	F	89.2	Confident	88.3	Confident	114 Å²	114	89.7 Å²	89.7	50%	0.5	44%	0.435	S	S	.	.	H	α-helix	trans	-64.7	-52.9	-177.4	-178.5	-99	0	0	0	111.2	D71 T75 C76 V77 A178 A181	D71-F73 VanDerWaalsContact C-N 3.25Å; D71-F73 PolarHBondContact O-N 3.36Å; F73-T75 VanDerWaalsContact C-N 3.3Å; F73-T75 PolarHBondContact O-N 3.46Å; F73-C76 PolarHBondContact O-N 3.35Å; F73-V77 HydrophobicContact CD1-CG2 4.39Å; F73-V77 HydrophobicContact CE1-CG2 4.05Å; F73-V77 HydrophobicContact CE2-CG2 4.18Å; F73-V77 HydrophobicContact CZ-CG2 3.95Å; F73-V77 VanDerWaalsContact O-CG2 3.3Å; F73-V77 WeakPolarHBondContact O-CG2 3.49Å; F73-V77 PolarHBondContact O-N 2.92Å; F73-A178 HydrophobicContact CE2-CB 4.49Å; F73-A181 HydrophobicContact CE1-CB 4.44Å; F73-A181 HydrophobicContact CZ-CB 3.78Å
74	T	89	Confident	88.9	Confident	55 Å²	55	84.1 Å²	84.1	34%	0.337	41%	0.409	S	S	.	.	H	α-helix	trans	-60.6	-44.3	178.2	-53.6	0	0	0	0	110.6	D71 C76 V77 D78	D71-T74 PolarHBondContact O-N 2.85Å; D71-T74 WeakPolarHBondContact OD1-CB 3.4Å; D71-T74 PolarHBondContact OD1-N 3.4Å; D71-T74 PolarHBondContact OD1-OG1 3.44Å; D71-T74 WeakPolarHBondContact OD2-CB 3.32Å; D71-T74 PolarHBondContact OD2-OG1 3.07Å; T74-C76 PolarHBondContact O-N 2.53Å; T74-V77 PolarHBondContact O-N 2.88Å; T74-D78 WeakPolarHBondContact CG2-OD2 3.32Å; T74-D78 WeakPolarHBondContact O-CB 3.21Å; T74-D78 PolarHBondContact O-N 3.25Å
75	T	90.9	Very high	89.6	Confident	39 Å²	39	85 Å²	85	24%	0.239	42%	0.417	C	S	.	.	H	α-helix	trans	-56.8	-46.8	176.2	-58.6	0	0	0	0	111.7	Y68 D71 I72 F73 V77 D78 I79	Y68-T75 HydrophobicContact CD1-CG2 4.41Å; Y68-T75 PolarHBondContact O-OG1 3.39Å; D71-T75 WeakPolarHBondContact O-CB 3.42Å; D71-T75 PolarHBondContact O-N 3.13Å; D71-T75 PolarHBondContact O-OG1 3.39Å; I72-T75 PolarHBondContact O-N 3.12Å; F73-T75 VanDerWaalsContact C-N 3.3Å; F73-T75 PolarHBondContact O-N 3.46Å; T75-V77 PolarHBondContact O-N 2.68Å; T75-D78 PolarHBondContact O-N 3.09Å; T75-I79 HydrophobicContact CG2-CD1 3.99Å; T75-I79 WeakPolarHBondContact O-CD1 3.29Å; T75-I79 WeakPolarHBondContact O-CG1 2.98Å; T75-I79 PolarHBondContact O-N 2.72Å
76	C	91.2	Very high	90.3	Very high	22 Å²	22	86.4 Å²	86.4	15%	0.149	42%	0.415	C	S	.	.	H	α-helix	trans	-61.1	-44.3	178.2	-174.7	0	0	0	0	111.9	I72 F73 T74 D78	I72-C76 WeakPolarHBondContact O-CB 3.3Å; I72-C76 PolarHBondContact O-N 3.13Å; F73-C76 PolarHBondContact O-N 3.35Å; T74-C76 PolarHBondContact O-N 2.53Å; C76-D78 PolarHBondContact O-N 2.92Å
77	V	92.1	Very high	90.8	Very high	4 Å²	4	83.6 Å²	83.6	2%	0.024	40%	0.404	C	S	.	.	H	α-helix	trans	-72.8	-27.7	-178.3	-175.7	0	0	0	0	111.6	F73 T74 T75 A181 K182 K185	F73-V77 HydrophobicContact CD1-CG2 4.39Å; F73-V77 HydrophobicContact CE1-CG2 4.05Å; F73-V77 HydrophobicContact CE2-CG2 4.18Å; F73-V77 HydrophobicContact CZ-CG2 3.95Å; F73-V77 VanDerWaalsContact O-CG2 3.3Å; F73-V77 WeakPolarHBondContact O-CG2 3.49Å; F73-V77 PolarHBondContact O-N 2.92Å; T74-V77 PolarHBondContact O-N 2.88Å; T75-V77 PolarHBondContact O-N 2.68Å; V77-A181 HydrophobicContact CG1-CB 4.33Å; V77-A181 HydrophobicContact CG2-CB 4.18Å; V77-K182 HydrophobicContact CG1-CB 3.86Å; V77-K182 HydrophobicContact CG1-CG 4.31Å; V77-K182 PolarHBondContact O-NZ 3Å; V77-K185 HydrophobicContact CG1-CD 3.77Å; V77-K185 HydrophobicContact CG1-CG 4.34Å
78	D	90.1	Very high	91.2	Very high	74 Å²	74	77.4 Å²	77.4	40%	0.396	38%	0.381	S	S	.	.	H	α-helix	trans	-82.2	-26.4	175.9	-80.4	-42.2	0	0	0	114.5	T74 T75 C76 K185	T74-D78 WeakPolarHBondContact CG2-OD2 3.32Å; T74-D78 WeakPolarHBondContact O-CB 3.21Å; T74-D78 PolarHBondContact O-N 3.25Å; T75-D78 PolarHBondContact O-N 3.09Å; C76-D78 PolarHBondContact O-N 2.92Å; D78-K185 IonicContact OD1-NZ 2.92Å; D78-K185 PolarHBondContact OD1-NZ 2.89Å; D78-K185 IonicContact OD2-NZ 3.83Å; D78-K185 PolarHBondContact OD2-NZ 3.21Å
79	I	90.8	Very high	91.8	Very high	53 Å²	53	75.9 Å²	75.9	27%	0.272	39%	0.385	S	S	.	.	S	Bend	trans	-58	146.2	175.7	-76.2	163.7	0	0	0	111.3	T75 W83 I87 K182	T75-I79 HydrophobicContact CG2-CD1 3.99Å; T75-I79 WeakPolarHBondContact O-CD1 3.29Å; T75-I79 WeakPolarHBondContact O-CG1 2.98Å; T75-I79 PolarHBondContact O-N 2.72Å; I79-W83 HydrophobicContact CG2-CB 3.31Å; I79-W83 HydrophobicContact CG2-CG 4.29Å; I79-I87 HydrophobicContact CD1-CD1 4.33Å; I79-K182 WeakPolarHBondContact O-CE 3.39Å; I79-K182 PolarHBondContact O-NZ 3.31Å
80	R	92.8	Very high	92.4	Very high	86 Å²	86	74.4 Å²	74.4	33%	0.325	38%	0.378	S	S	.	.			trans	-58.1	144.3	178	-65.7	-179.1	168.9	162.2	-14.8	111.9	D17 R82 W83 M84	D17-R80 IonicContact OD1-CZ 3.49Å; D17-R80 IonicContact OD1-NH1 3.02Å; D17-R80 IonicContact OD1-NH2 2.82Å; D17-R80 PolarHBondContact OD1-NH2 3.36Å; D17-R80 IonicContact OD2-NH2 3.71Å; R80-R82 VanDerWaalsContact C-N 3.27Å; R80-R82 HydrophobicContact CB-CG 4.32Å; R80-R82 PolarHBondContact O-N 3.11Å; R80-R82 VanDerWaalsContact O-N 3.07Å; R80-W83 PolarHBondContact O-N 3.26Å; R80-M84 PolarHBondContact O-N 2.86Å; R80-M84 VanDerWaalsContact O-N 3.11Å
81	W	93.2	Very high	92.7	Very high	116 Å²	116	72 Å²	72	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-44.2	-46.8	-179.1	-81.6	107	0	0	0	114.3	W83 M84 L85 V179 K182 M183	W81-W83 VanDerWaalsContact C-N 3.31Å; W81-W83 PolarHBondContact O-N 2.94Å; W81-M84 HydrophobicContact CE3-SD 4.15Å; W81-M84 HydrophobicContact CZ3-SD 4.08Å; W81-M84 PolarHBondContact O-N 3.12Å; W81-L85 WeakPolarHBondContact O-CG 3.44Å; W81-L85 PolarHBondContact O-N 3.49Å; W81-V179 HydrophobicContact CH2-CG1 4.31Å; W81-V179 HydrophobicContact CZ3-CG1 4.43Å; W81-K182 HydrophobicContact CD2-CD 3.87Å; W81-K182 HydrophobicContact CE3-CD 4.07Å; W81-K182 HydrophobicContact CG-CD 4.5Å; W81-K182 HydrophobicContact CH2-CB 4.14Å; W81-K182 HydrophobicContact CH2-CD 3.98Å; W81-K182 HydrophobicContact CH2-CG 4.09Å; W81-K182 HydrophobicContact CZ2-CB 4.15Å; W81-K182 HydrophobicContact CZ2-CD 3.78Å; W81-K182 HydrophobicContact CZ2-CG 3.69Å; W81-K182 HydrophobicContact CZ3-CD 4.12Å; W81-M183 HydrophobicContact CH2-CG 3.75Å; W81-M183 HydrophobicContact CZ2-CG 4Å
82	R	94.9	Very high	93.1	Very high	133 Å²	133	70.7 Å²	70.7	50%	0.502	35%	0.349	S	S	.	.	H	α-helix	trans	-55.1	-43.1	178.8	62.7	-179.8	125	92.4	-10.9	113.7	R80 V86	R80-R82 VanDerWaalsContact C-N 3.27Å; R80-R82 HydrophobicContact CB-CG 4.32Å; R80-R82 PolarHBondContact O-N 3.11Å; R80-R82 VanDerWaalsContact O-N 3.07Å; R82-V86 VanDerWaalsContact O-CG2 3.24Å; R82-V86 WeakPolarHBondContact O-CG2 3.42Å; R82-V86 PolarHBondContact O-N 2.88Å; R82-V86 VanDerWaalsContact O-N 3.07Å
83	W	94.6	Very high	93.4	Very high	146 Å²	146	68.4 Å²	68.4	55%	0.553	34%	0.339	S	S	*	.	H	α-helix	trans	-78.9	-35.9	-177.1	-70.8	125.9	0	0	0	111.1	I79 R80 W81 V86 I87	I79-W83 HydrophobicContact CG2-CB 3.31Å; I79-W83 HydrophobicContact CG2-CG 4.29Å; R80-W83 PolarHBondContact O-N 3.26Å; W81-W83 VanDerWaalsContact C-N 3.31Å; W81-W83 PolarHBondContact O-N 2.94Å; W83-V86 PolarHBondContact O-N 3.3Å; W83-I87 VanDerWaalsContact O-CG1 3.26Å; W83-I87 WeakPolarHBondContact O-CG1 3.41Å; W83-I87 PolarHBondContact O-N 2.87Å
84	M	93.9	Very high	93.8	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.8	-47.1	171.3	-173.5	-166.1	-163.1	0	0	111.1	R80 W81 V86 I87 F88 A178 V179 K182	R80-M84 PolarHBondContact O-N 2.86Å; R80-M84 VanDerWaalsContact O-N 3.11Å; W81-M84 HydrophobicContact CE3-SD 4.15Å; W81-M84 HydrophobicContact CZ3-SD 4.08Å; W81-M84 PolarHBondContact O-N 3.12Å; M84-V86 PolarHBondContact O-N 3.07Å; M84-I87 PolarHBondContact O-N 3.24Å; M84-F88 HydrophobicContact CE-CE2 3.47Å; M84-F88 VanDerWaalsContact CE-CE2 3.47Å; M84-F88 HydrophobicContact CE-CZ 3.43Å; M84-F88 VanDerWaalsContact CE-CZ 3.43Å; M84-F88 HydrophobicContact CG-CD2 4.11Å; M84-F88 HydrophobicContact CG-CE1 4.48Å; M84-F88 HydrophobicContact CG-CE2 3.45Å; M84-F88 VanDerWaalsContact CG-CE2 3.45Å; M84-F88 HydrophobicContact CG-CZ 3.67Å; M84-F88 WeakPolarHBondContact O-CD2 3.42Å; M84-F88 WeakPolarHBondContact O-CG 3.47Å; M84-F88 PolarHBondContact O-N 3.02Å; M84-F88 HydrophobicContact SD-CE2 3.87Å; M84-F88 HydrophobicContact SD-CZ 4.24Å; M84-A178 VanDerWaalsContact CE-C 3.42Å; M84-A178 HydrophobicContact CE-CB 3.74Å; M84-A178 WeakPolarHBondContact CE-O 3.43Å; M84-V179 HydrophobicContact CE-CG2 4.16Å; M84-K182 HydrophobicContact CE-CB 4.12Å; M84-K182 HydrophobicContact CE-CD 4.01Å; M84-K182 HydrophobicContact SD-CB 4.4Å; M84-K182 HydrophobicContact SD-CD 3.25Å; M84-K182 WeakPolarHBondContact SD-CD 3.22Å; M84-K182 HydrophobicContact SD-CG 4.45Å
85	L	94.2	Very high	94.2	Very high	92 Å²	92	65.6 Å²	65.6	48%	0.482	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-42.1	176.1	-68.9	175.6	0	0	0	111.9	W81 I87 F88 C89	W81-L85 WeakPolarHBondContact O-CG 3.44Å; W81-L85 PolarHBondContact O-N 3.49Å; L85-I87 VanDerWaalsContact C-N 3.34Å; L85-I87 PolarHBondContact O-N 3.34Å; L85-F88 PolarHBondContact O-N 3.36Å; L85-C89 WeakPolarHBondContact O-CB 3.38Å; L85-C89 PolarHBondContact O-N 3.46Å; L85-C89 PolarHBondContact O-SG 2.9Å
86	V	96.1	Very high	94.6	Very high	80 Å²	80	66.3 Å²	66.3	49%	0.485	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-43.6	174.9	168.1	0	0	0	0	111.4	R82 W83 M84 C89 L90	R82-V86 VanDerWaalsContact O-CG2 3.24Å; R82-V86 WeakPolarHBondContact O-CG2 3.42Å; R82-V86 PolarHBondContact O-N 2.88Å; R82-V86 VanDerWaalsContact O-N 3.07Å; W83-V86 PolarHBondContact O-N 3.3Å; M84-V86 PolarHBondContact O-N 3.07Å; V86-C89 PolarHBondContact O-N 3.24Å; V86-L90 VanDerWaalsContact O-CB 3.28Å; V86-L90 WeakPolarHBondContact O-CB 3.3Å; V86-L90 PolarHBondContact O-N 3.14Å
87	I	94.2	Very high	94.9	Very high	80 Å²	80	68.2 Å²	68.2	41%	0.41	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-43.8	177.8	-69.9	164	0	0	0	110.9	I79 W83 M84 L85 L90 A91	I79-I87 HydrophobicContact CD1-CD1 4.33Å; W83-I87 VanDerWaalsContact O-CG1 3.26Å; W83-I87 WeakPolarHBondContact O-CG1 3.41Å; W83-I87 PolarHBondContact O-N 2.87Å; M84-I87 PolarHBondContact O-N 3.24Å; L85-I87 VanDerWaalsContact C-N 3.34Å; L85-I87 PolarHBondContact O-N 3.34Å; I87-L90 PolarHBondContact O-N 2.92Å; I87-A91 PolarHBondContact O-N 2.86Å
88	F	94.6	Very high	95.2	Very high	23 Å²	23	73.6 Å²	73.6	10%	0.101	36%	0.358	C	S	.	.	H	α-helix	trans	-68.1	-43.9	178.2	-64.1	-25.9	0	0	0	113.1	M84 L85 L90 A91 F92 I175 A178 V179	M84-F88 HydrophobicContact CE-CE2 3.47Å; M84-F88 VanDerWaalsContact CE-CE2 3.47Å; M84-F88 HydrophobicContact CE-CZ 3.43Å; M84-F88 VanDerWaalsContact CE-CZ 3.43Å; M84-F88 HydrophobicContact CG-CD2 4.11Å; M84-F88 HydrophobicContact CG-CE1 4.48Å; M84-F88 HydrophobicContact CG-CE2 3.45Å; M84-F88 VanDerWaalsContact CG-CE2 3.45Å; M84-F88 HydrophobicContact CG-CZ 3.67Å; M84-F88 WeakPolarHBondContact O-CD2 3.42Å; M84-F88 WeakPolarHBondContact O-CG 3.47Å; M84-F88 PolarHBondContact O-N 3.02Å; M84-F88 HydrophobicContact SD-CE2 3.87Å; M84-F88 HydrophobicContact SD-CZ 4.24Å; L85-F88 PolarHBondContact O-N 3.36Å; F88-L90 VanDerWaalsContact C-N 3.26Å; F88-L90 PolarHBondContact O-N 3.3Å; F88-A91 WeakPolarHBondContact O-CB 3.01Å; F88-A91 PolarHBondContact O-N 2.98Å; F88-F92 WeakPolarHBondContact O-CD2 3.46Å; F88-F92 PolarHBondContact O-N 3.29Å; F88-I175 HydrophobicContact CB-CD1 4.04Å; F88-I175 HydrophobicContact CB-CG1 4.32Å; F88-I175 HydrophobicContact CD1-CD1 4.22Å; F88-I175 HydrophobicContact CD1-CG1 3.65Å; F88-I175 HydrophobicContact CD2-CG1 4.39Å; F88-I175 HydrophobicContact CD2-CG2 3.84Å; F88-I175 HydrophobicContact CE1-CG1 3.97Å; F88-I175 HydrophobicContact CE2-CG2 4.01Å; F88-I175 HydrophobicContact CG-CD1 4.17Å; F88-I175 HydrophobicContact CG-CG1 3.88Å; F88-I175 HydrophobicContact CG-CG2 4.14Å; F88-I175 HydrophobicContact CZ-CG1 4.46Å; F88-I175 HydrophobicContact CZ-CG2 4.47Å; F88-A178 HydrophobicContact CE1-CB 4.48Å; F88-A178 HydrophobicContact CZ-CB 3.76Å; F88-V179 HydrophobicContact CD2-CG2 4.4Å; F88-V179 HydrophobicContact CE2-CG2 3.68Å
89	C	95.9	Very high	95.5	Very high	78 Å²	78	70.2 Å²	70.2	53%	0.527	34%	0.34	S	S	.	.	H	α-helix	trans	-58.3	-42.2	173.1	-70.5	0	0	0	0	111	L85 V86 F92 V93	L85-C89 WeakPolarHBondContact O-CB 3.38Å; L85-C89 PolarHBondContact O-N 3.46Å; L85-C89 PolarHBondContact O-SG 2.9Å; V86-C89 PolarHBondContact O-N 3.24Å; C89-F92 PolarHBondContact O-N 2.84Å; C89-V93 WeakPolarHBondContact O-CB 3.19Å; C89-V93 VanDerWaalsContact O-CG2 3.27Å; C89-V93 WeakPolarHBondContact O-CG2 3.49Å; C89-V93 PolarHBondContact O-N 3.37Å
90	L	96.3	Very high	95.8	Very high	92 Å²	92	67.7 Å²	67.7	48%	0.482	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-41.1	176.9	-175	65	0	0	0	111.6	V86 I87 F88 F92 V93 L94	V86-L90 VanDerWaalsContact O-CB 3.28Å; V86-L90 WeakPolarHBondContact O-CB 3.3Å; V86-L90 PolarHBondContact O-N 3.14Å; I87-L90 PolarHBondContact O-N 2.92Å; F88-L90 VanDerWaalsContact C-N 3.26Å; F88-L90 PolarHBondContact O-N 3.3Å; L90-F92 PolarHBondContact O-N 3.2Å; L90-V93 PolarHBondContact O-N 3.5Å; L90-L94 HydrophobicContact CD1-CD1 3.97Å; L90-L94 HydrophobicContact CD1-CD2 4.36Å; L90-L94 HydrophobicContact CD1-CG 3.88Å; L90-L94 HydrophobicContact CD2-CD1 4.32Å; L90-L94 HydrophobicContact CG-CD1 3.72Å; L90-L94 HydrophobicContact CG-CG 4.07Å; L90-L94 VanDerWaalsContact O-CB 3.26Å; L90-L94 WeakPolarHBondContact O-CB 3.5Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 3.07Å
91	A	95.4	Very high	96.1	Very high	39 Å²	39	66.4 Å²	66.4	32%	0.322	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-46.3	176.2	0	0	0	0	0	111.7	I87 F88 S95	I87-A91 PolarHBondContact O-N 2.86Å; F88-A91 WeakPolarHBondContact O-CB 3.01Å; F88-A91 PolarHBondContact O-N 2.98Å; A91-S95 WeakPolarHBondContact O-CB 3.46Å; A91-S95 PolarHBondContact O-N 3.32Å; A91-S95 PolarHBondContact O-OG 3.5Å
92	F	96.5	Very high	96.3	Very high	49 Å²	49	62.4 Å²	62.4	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-52.3	174.8	-77.6	-57.8	0	0	0	112.2	F88 C89 L90 L94 S95 W96 I171 D172 I175	F88-F92 WeakPolarHBondContact O-CD2 3.46Å; F88-F92 PolarHBondContact O-N 3.29Å; C89-F92 PolarHBondContact O-N 2.84Å; L90-F92 PolarHBondContact O-N 3.2Å; F92-L94 VanDerWaalsContact C-N 3.33Å; F92-L94 PolarHBondContact O-N 2.9Å; F92-S95 WeakPolarHBondContact CA-OG 3.32Å; F92-S95 PolarHBondContact O-N 3.2Å; F92-S95 VanDerWaalsContact O-N 3.15Å; F92-S95 PolarHBondContact O-OG 3.19Å; F92-W96 HydrophobicContact CB-CD2 4.44Å; F92-W96 HydrophobicContact CB-CH2 4.07Å; F92-W96 HydrophobicContact CB-CZ2 3.89Å; F92-W96 HydrophobicContact CB-CZ3 4.42Å; F92-W96 HydrophobicContact CD1-CZ2 4.17Å; F92-W96 HydrophobicContact CG-CZ2 4.19Å; F92-W96 VanDerWaalsContact O-CG 3.24Å; F92-W96 PolarHBondContact O-N 3.08Å; F92-I171 HydrophobicContact CD1-CG2 4.18Å; F92-I171 HydrophobicContact CE1-CG2 3.83Å; F92-I171 HydrophobicContact CZ-CG2 4.25Å; F92-D172 VanDerWaalsContact CE1-OD1 3.23Å; F92-D172 WeakPolarHBondContact CE1-OD1 3.49Å; F92-D172 WeakPolarHBondContact CZ-OD1 3.18Å; F92-I175 HydrophobicContact CD2-CD1 3.98Å; F92-I175 HydrophobicContact CE1-CD1 4.25Å; F92-I175 HydrophobicContact CE2-CD1 3.24Å; F92-I175 HydrophobicContact CZ-CD1 3.4Å
93	V	96.6	Very high	96.4	Very high	61 Å²	61	56.2 Å²	56.2	37%	0.37	30%	0.296	S	S	.	.	H	α-helix	trans	-59.6	-43.2	-178.5	170.8	0	0	0	0	111.5	C89 L90 W96 L97	C89-V93 WeakPolarHBondContact O-CB 3.19Å; C89-V93 VanDerWaalsContact O-CG2 3.27Å; C89-V93 WeakPolarHBondContact O-CG2 3.49Å; C89-V93 PolarHBondContact O-N 3.37Å; L90-V93 PolarHBondContact O-N 3.5Å; V93-W96 HydrophobicContact CG2-CE3 4.44Å; V93-W96 HydrophobicContact CG2-CZ3 4.45Å; V93-W96 PolarHBondContact O-N 2.89Å; V93-L97 HydrophobicContact CG1-CD1 3.82Å; V93-L97 HydrophobicContact CG1-CG 4.37Å; V93-L97 WeakPolarHBondContact O-CB 3.41Å; V93-L97 VanDerWaalsContact O-CG 3.25Å; V93-L97 WeakPolarHBondContact O-CG 3.31Å; V93-L97 PolarHBondContact O-N 2.99Å
94	L	97.5	Very high	96.4	Very high	99 Å²	99	53.6 Å²	53.6	52%	0.518	29%	0.286	S	S	.	.	H	α-helix	trans	-65.4	-40	177.3	-71.1	176.8	0	0	0	112.1	L90 F92 F98	L90-L94 HydrophobicContact CD1-CD1 3.97Å; L90-L94 HydrophobicContact CD1-CD2 4.36Å; L90-L94 HydrophobicContact CD1-CG 3.88Å; L90-L94 HydrophobicContact CD2-CD1 4.32Å; L90-L94 HydrophobicContact CG-CD1 3.72Å; L90-L94 HydrophobicContact CG-CG 4.07Å; L90-L94 VanDerWaalsContact O-CB 3.26Å; L90-L94 WeakPolarHBondContact O-CB 3.5Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 3.07Å; F92-L94 VanDerWaalsContact C-N 3.33Å; F92-L94 PolarHBondContact O-N 2.9Å; L94-F98 VanDerWaalsContact O-CB 3.29Å; L94-F98 WeakPolarHBondContact O-CB 3.15Å; L94-F98 PolarHBondContact O-N 2.74Å
95	S	97.4	Very high	96.5	Very high	12 Å²	12	57.6 Å²	57.6	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-46.2	175.5	65.3	0	0	0	0	111.9	A91 F92 L97 F98 F99 Q140	A91-S95 WeakPolarHBondContact O-CB 3.46Å; A91-S95 PolarHBondContact O-N 3.32Å; A91-S95 PolarHBondContact O-OG 3.5Å; F92-S95 WeakPolarHBondContact CA-OG 3.32Å; F92-S95 PolarHBondContact O-N 3.2Å; F92-S95 VanDerWaalsContact O-N 3.15Å; F92-S95 PolarHBondContact O-OG 3.19Å; S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 2.76Å; S95-F98 PolarHBondContact O-N 3.11Å; S95-F99 VanDerWaalsContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CD2 3.36Å; S95-F99 PolarHBondContact O-N 2.83Å; S95-Q140 PolarHBondContact OG-NE2 3.47Å; S95-Q140 PolarHBondContact OG-OE1 2.88Å
96	W	97.7	Very high	96.6	Very high	53 Å²	53	54.1 Å²	54.1	20%	0.201	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-40.8	177.6	-61	-24.7	0	0	0	112.2	F92 V93 G100 F133 S136 I137 T141	F92-W96 HydrophobicContact CB-CD2 4.44Å; F92-W96 HydrophobicContact CB-CH2 4.07Å; F92-W96 HydrophobicContact CB-CZ2 3.89Å; F92-W96 HydrophobicContact CB-CZ3 4.42Å; F92-W96 HydrophobicContact CD1-CZ2 4.17Å; F92-W96 HydrophobicContact CG-CZ2 4.19Å; F92-W96 VanDerWaalsContact O-CG 3.24Å; F92-W96 PolarHBondContact O-N 3.08Å; V93-W96 HydrophobicContact CG2-CE3 4.44Å; V93-W96 HydrophobicContact CG2-CZ3 4.45Å; V93-W96 PolarHBondContact O-N 2.89Å; W96-G100 WeakPolarHBondContact O-CA 3.26Å; W96-G100 PolarHBondContact O-N 2.82Å; W96-F133 HydrophobicContact CB-CD2 4.41Å; W96-F133 HydrophobicContact CB-CE2 3.7Å; W96-F133 HydrophobicContact CB-CZ 4.41Å; W96-S136 WeakPolarHBondContact CA-OG 3.5Å; W96-S136 WeakPolarHBondContact O-CB 3.2Å; W96-S136 PolarHBondContact O-OG 2.93Å; W96-I137 HydrophobicContact CB-CG1 4.01Å; W96-I137 HydrophobicContact CD2-CG1 3.83Å; W96-I137 HydrophobicContact CE3-CD1 4.33Å; W96-I137 HydrophobicContact CE3-CG1 4.01Å; W96-I137 HydrophobicContact CG-CG1 3.85Å; W96-T141 HydrophobicContact CZ2-CG2 3.68Å
97	L	97.8	Very high	96.5	Very high	63 Å²	63	50.5 Å²	50.5	33%	0.33	27%	0.267	S	S	.	.	H	α-helix	trans	-65.7	-44.2	175	-75.2	171.8	0	0	0	111.7	V93 S95 G100 C101 F129 F133	V93-L97 HydrophobicContact CG1-CD1 3.82Å; V93-L97 HydrophobicContact CG1-CG 4.37Å; V93-L97 WeakPolarHBondContact O-CB 3.41Å; V93-L97 VanDerWaalsContact O-CG 3.25Å; V93-L97 WeakPolarHBondContact O-CG 3.31Å; V93-L97 PolarHBondContact O-N 2.99Å; S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 2.76Å; L97-G100 PolarHBondContact O-N 2.78Å; L97-C101 WeakPolarHBondContact O-CB 3.45Å; L97-C101 PolarHBondContact O-N 2.78Å; L97-C101 PolarHBondContact O-SG 3.17Å; L97-F129 HydrophobicContact CD2-CZ 4.23Å; L97-F133 HydrophobicContact CD2-CD2 3.94Å; L97-F133 HydrophobicContact CD2-CE2 3.71Å; L97-F133 HydrophobicContact CD2-CZ 4.43Å; L97-F133 HydrophobicContact CG-CE2 3.95Å
98	F	97.8	Very high	96.4	Very high	116 Å²	116	50.7 Å²	50.7	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-58.6	-54	178.1	172.8	-99.4	0	0	0	111.3	L94 S95 G100 C101 V102	L94-F98 VanDerWaalsContact O-CB 3.29Å; L94-F98 WeakPolarHBondContact O-CB 3.15Å; L94-F98 PolarHBondContact O-N 2.74Å; S95-F98 PolarHBondContact O-N 3.11Å; F98-G100 VanDerWaalsContact C-N 3.34Å; F98-G100 PolarHBondContact O-N 3.15Å; F98-C101 WeakPolarHBondContact O-CB 3.21Å; F98-C101 PolarHBondContact O-N 3.13Å; F98-V102 HydrophobicContact CE1-CG2 4.28Å; F98-V102 HydrophobicContact CE2-CG2 4.43Å; F98-V102 HydrophobicContact CZ-CG2 4.16Å; F98-V102 WeakPolarHBondContact O-CG2 3.47Å; F98-V102 PolarHBondContact O-N 3.27Å
99	F	97.8	Very high	96.4	Very high	3 Å²	3	56 Å²	56	1%	0.013	30%	0.297	C	S	.	.	H	α-helix	trans	-67.8	-34.9	178.8	-75.8	-74.7	0	0	0	112.3	S95 C101 V102 F103 S136 M160 F163 Q164 V167	S95-F99 VanDerWaalsContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CD2 3.36Å; S95-F99 PolarHBondContact O-N 2.83Å; F99-C101 PolarHBondContact O-N 3.1Å; F99-V102 PolarHBondContact O-N 2.99Å; F99-V102 VanDerWaalsContact O-N 3.14Å; F99-F103 HydrophobicContact CB-CD2 4.48Å; F99-F103 HydrophobicContact CB-CE2 4.21Å; F99-F103 WeakPolarHBondContact O-CD2 3.41Å; F99-F103 PolarHBondContact O-N 2.73Å; F99-S136 VanDerWaalsContact CB-OG 3.29Å; F99-S136 WeakPolarHBondContact CB-OG 3.41Å; F99-M160 HydrophobicContact CD1-CE 3.74Å; F99-M160 HydrophobicContact CE1-CE 3.54Å; F99-F163 AromaticContact CE1-CD1 3.74Å; F99-F163 HydrophobicContact CE1-CD1 3.74Å; F99-F163 HydrophobicContact CE1-CE1 4.21Å; F99-F163 AromaticContact CZ-CD1 3.82Å; F99-F163 HydrophobicContact CZ-CD1 3.82Å; F99-F163 AromaticContact CZ-CE1 3.96Å; F99-F163 HydrophobicContact CZ-CE1 3.96Å; F99-Q164 HydrophobicContact CB-CG 4.36Å; F99-Q164 VanDerWaalsContact CB-NE2 3.33Å; F99-Q164 HydrophobicContact CD1-CB 3.68Å; F99-Q164 HydrophobicContact CD1-CG 3.86Å; F99-Q164 HydrophobicContact CD2-CB 4.33Å; F99-Q164 HydrophobicContact CD2-CG 3.72Å; F99-Q164 HydrophobicContact CE1-CB 3.51Å; F99-Q164 HydrophobicContact CE1-CG 4Å; F99-Q164 HydrophobicContact CE2-CB 4.22Å; F99-Q164 HydrophobicContact CE2-CG 3.9Å; F99-Q164 HydrophobicContact CG-CB 4.1Å; F99-Q164 HydrophobicContact CG-CG 3.72Å; F99-Q164 HydrophobicContact CZ-CB 3.83Å; F99-Q164 HydrophobicContact CZ-CG 4.05Å; F99-V167 HydrophobicContact CE2-CB 4.27Å; F99-V167 HydrophobicContact CE2-CG1 4.07Å; F99-V167 HydrophobicContact CZ-CB 4.2Å; F99-V167 HydrophobicContact CZ-CG1 4.4Å; F99-V167 HydrophobicContact CZ-CG2 4.26Å
100	G	97.5	Very high	96.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-42.8	173.6	0	0	0	0	0	112.3	W96 L97 F98 W104 A132 S136	W96-G100 WeakPolarHBondContact O-CA 3.26Å; W96-G100 PolarHBondContact O-N 2.82Å; L97-G100 PolarHBondContact O-N 2.78Å; F98-G100 VanDerWaalsContact C-N 3.34Å; F98-G100 PolarHBondContact O-N 3.15Å; G100-W104 VanDerWaalsContact O-CB 3.27Å; G100-W104 WeakPolarHBondContact O-CB 3.33Å; G100-W104 PolarHBondContact O-N 3.11Å; G100-A132 WeakPolarHBondContact O-CB 3.39Å; G100-S136 PolarHBondContact N-OG 2.88Å
101	C	97.5	Very high	95.9	Very high	60 Å²	60	52 Å²	52	41%	0.405	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-41.8	171.7	-73.5	0	0	0	0	112	L97 F98 F99 W104 L105 F129	L97-C101 WeakPolarHBondContact O-CB 3.45Å; L97-C101 PolarHBondContact O-N 2.78Å; L97-C101 PolarHBondContact O-SG 3.17Å; F98-C101 WeakPolarHBondContact O-CB 3.21Å; F98-C101 PolarHBondContact O-N 3.13Å; F99-C101 PolarHBondContact O-N 3.1Å; C101-W104 PolarHBondContact O-N 2.75Å; C101-L105 WeakPolarHBondContact O-CB 3.31Å; C101-L105 PolarHBondContact O-N 3.01Å; C101-F129 VanDerWaalsContact SG-CE2 3.59Å
102	V	97.2	Very high	95.6	Very high	32 Å²	32	51.4 Å²	51.4	19%	0.194	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-46.7	179.1	175.7	0	0	0	0	111.4	F98 F99 W104 L105 I106 M160	F98-V102 HydrophobicContact CE1-CG2 4.28Å; F98-V102 HydrophobicContact CE2-CG2 4.43Å; F98-V102 HydrophobicContact CZ-CG2 4.16Å; F98-V102 WeakPolarHBondContact O-CG2 3.47Å; F98-V102 PolarHBondContact O-N 3.27Å; F99-V102 PolarHBondContact O-N 2.99Å; F99-V102 VanDerWaalsContact O-N 3.14Å; V102-W104 VanDerWaalsContact C-N 3.33Å; V102-W104 PolarHBondContact O-N 2.92Å; V102-L105 PolarHBondContact O-N 2.91Å; V102-I106 HydrophobicContact CG1-CD1 3.93Å; V102-I106 HydrophobicContact CG1-CG1 4.45Å; V102-I106 WeakPolarHBondContact O-CG1 3.05Å; V102-I106 PolarHBondContact O-N 2.86Å; V102-M160 HydrophobicContact CB-CE 4.36Å; V102-M160 HydrophobicContact CG1-CE 3.73Å; V102-M160 HydrophobicContact CG1-CG 3.95Å; V102-M160 HydrophobicContact CG1-SD 4.08Å; V102-M160 HydrophobicContact CG2-CE 4.5Å
103	F	96.9	Very high	95.1	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-36.7	176.6	-69.3	-61.5	0	0	0	112.6	F99 L105 I106 A107 V123 A132 F135 M160 V161	F99-F103 HydrophobicContact CB-CD2 4.48Å; F99-F103 HydrophobicContact CB-CE2 4.21Å; F99-F103 WeakPolarHBondContact O-CD2 3.41Å; F99-F103 PolarHBondContact O-N 2.73Å; F103-L105 VanDerWaalsContact C-N 3.34Å; F103-I106 HydrophobicContact CD1-CD1 4.36Å; F103-I106 PolarHBondContact O-N 3.27Å; F103-A107 WeakPolarHBondContact O-CB 3.49Å; F103-A107 PolarHBondContact O-N 2.97Å; F103-V123 HydrophobicContact CD1-CG2 4.4Å; F103-A132 HydrophobicContact CB-CB 4.37Å; F103-F135 HydrophobicContact CB-CD1 4.41Å; F103-F135 HydrophobicContact CD1-CD1 4.16Å; F103-F135 AromaticContact CD1-CE1 3.83Å; F103-F135 HydrophobicContact CD1-CE1 3.83Å; F103-F135 AromaticContact CD2-CD1 3.75Å; F103-F135 HydrophobicContact CD2-CD1 3.75Å; F103-F135 AromaticContact CD2-CE1 3.99Å; F103-F135 HydrophobicContact CD2-CE1 3.99Å; F103-F135 HydrophobicContact CE1-CD1 4.39Å; F103-F135 AromaticContact CE1-CE1 3.7Å; F103-F135 HydrophobicContact CE1-CE1 3.7Å; F103-F135 HydrophobicContact CE2-CD1 4Å; F103-F135 AromaticContact CE2-CE1 3.87Å; F103-F135 HydrophobicContact CE2-CE1 3.87Å; F103-F135 AromaticContact CG-CD1 3.85Å; F103-F135 HydrophobicContact CG-CD1 3.85Å; F103-F135 AromaticContact CG-CE1 3.98Å; F103-F135 HydrophobicContact CG-CE1 3.98Å; F103-F135 HydrophobicContact CZ-CD1 4.32Å; F103-F135 AromaticContact CZ-CE1 3.72Å; F103-F135 HydrophobicContact CZ-CE1 3.72Å; F103-M160 HydrophobicContact CE1-CB 3.87Å; F103-M160 HydrophobicContact CZ-CB 4.09Å; F103-V161 HydrophobicContact CE1-CG2 4.05Å; F103-V161 HydrophobicContact CZ-CG2 3.93Å
104	W	96.1	Very high	94.5	Very high	90 Å²	90	53.7 Å²	53.7	34%	0.341	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-41.5	173.2	-179.1	70.1	0	0	0	111.7	G100 C101 V102 A107 L108 F129 A132	G100-W104 VanDerWaalsContact O-CB 3.27Å; G100-W104 WeakPolarHBondContact O-CB 3.33Å; G100-W104 PolarHBondContact O-N 3.11Å; C101-W104 PolarHBondContact O-N 2.75Å; V102-W104 VanDerWaalsContact C-N 3.33Å; V102-W104 PolarHBondContact O-N 2.92Å; W104-A107 PolarHBondContact O-N 3.19Å; W104-L108 HydrophobicContact CH2-CD2 4.41Å; W104-L108 WeakPolarHBondContact O-CB 3.28Å; W104-L108 PolarHBondContact O-N 3Å; W104-F129 HydrophobicContact CB-CD2 4.07Å; W104-F129 HydrophobicContact CD2-CD2 4.26Å; W104-F129 HydrophobicContact CG-CB 4.38Å; W104-F129 AromaticContact CG-CD2 3.97Å; W104-F129 HydrophobicContact CG-CD2 3.97Å; W104-A132 HydrophobicContact CB-CB 3.68Å
105	L	96	Very high	93.4	Very high	84 Å²	84	54.4 Å²	54.4	44%	0.44	30%	0.297	S	S	.	.	H	α-helix	trans	-66.6	-39.3	176.2	-176	62.9	0	0	0	112	C101 V102 F103 L108 L109	C101-L105 WeakPolarHBondContact O-CB 3.31Å; C101-L105 PolarHBondContact O-N 3.01Å; V102-L105 PolarHBondContact O-N 2.91Å; F103-L105 VanDerWaalsContact C-N 3.34Å; L105-L108 HydrophobicContact CD1-CD2 4.23Å; L105-L108 PolarHBondContact O-N 3.05Å; L105-L109 HydrophobicContact CD1-CD1 4.1Å; L105-L109 HydrophobicContact CD1-CG 4.1Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 HydrophobicContact CG-CG 4.33Å; L105-L109 WeakPolarHBondContact O-CB 3.31Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 2.59Å
106	I	95.2	Very high	92.3	Very high	20 Å²	20	58.9 Å²	58.9	10%	0.103	33%	0.328	C	S	.	.	H	α-helix	trans	-61	-47.3	173.8	-69	166.7	0	0	0	110.2	V102 F103 L108 L109 H110 C122 I156 A157 M160	V102-I106 HydrophobicContact CG1-CD1 3.93Å; V102-I106 HydrophobicContact CG1-CG1 4.45Å; V102-I106 WeakPolarHBondContact O-CG1 3.05Å; V102-I106 PolarHBondContact O-N 2.86Å; F103-I106 HydrophobicContact CD1-CD1 4.36Å; F103-I106 PolarHBondContact O-N 3.27Å; I106-L108 PolarHBondContact O-N 3.23Å; I106-L109 PolarHBondContact O-N 3.09Å; I106-H110 VanDerWaalsContact O-CB 3.26Å; I106-H110 WeakPolarHBondContact O-CB 3.29Å; I106-H110 PolarHBondContact O-N 3.26Å; I106-C122 HydrophobicContact CG2-CB 4.03Å; I106-I156 HydrophobicContact CD1-CG1 4.49Å; I106-I156 HydrophobicContact CD1-CG2 4.41Å; I106-I156 HydrophobicContact CG1-CG2 4.47Å; I106-I156 HydrophobicContact CG2-CG2 4.31Å; I106-A157 HydrophobicContact CG2-CB 4.44Å; I106-M160 HydrophobicContact CD1-CB 4.48Å; I106-M160 HydrophobicContact CD1-CG 3.91Å
107	A	94.2	Very high	91.1	Very high	4 Å²	4	59.7 Å²	59.7	3%	0.033	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-41.5	177.3	0	0	0	0	0	112.2	F103 W104 G111 D112 L113 V126	F103-A107 WeakPolarHBondContact O-CB 3.49Å; F103-A107 PolarHBondContact O-N 2.97Å; W104-A107 PolarHBondContact O-N 3.19Å; A107-G111 PolarHBondContact O-N 3.47Å; A107-D112 HydrophobicContact CB-CB 4.19Å; A107-D112 PolarHBondContact O-N 2.76Å; A107-L113 HydrophobicContact CB-CD2 4.29Å; A107-L113 HydrophobicContact CB-CG 4.43Å; A107-V126 HydrophobicContact CB-CG1 4Å
108	L	93.4	Very high	89.9	Confident	83 Å²	83	66.2 Å²	66.2	44%	0.435	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-49	176	-176.4	80.2	0	0	0	111.7	W104 L105 I106 G111 L113	W104-L108 HydrophobicContact CH2-CD2 4.41Å; W104-L108 WeakPolarHBondContact O-CB 3.28Å; W104-L108 PolarHBondContact O-N 3Å; L105-L108 HydrophobicContact CD1-CD2 4.23Å; L105-L108 PolarHBondContact O-N 3.05Å; I106-L108 PolarHBondContact O-N 3.23Å; L108-G111 PolarHBondContact O-N 2.89Å; L108-L113 HydrophobicContact CB-CD1 4.01Å; L108-L113 HydrophobicContact CD1-CD1 3.64Å; L108-L113 HydrophobicContact CG-CD1 4.45Å
109	L	93.2	Very high	89	Confident	136 Å²	136	63.1 Å²	63.1	71%	0.712	36%	0.362	S	S	*	.	H	α-helix	trans	-71.6	-32.7	-176.8	-70	174.8	0	0	0	112.8	L105 I106 G111	L105-L109 HydrophobicContact CD1-CD1 4.1Å; L105-L109 HydrophobicContact CD1-CG 4.1Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 HydrophobicContact CG-CG 4.33Å; L105-L109 WeakPolarHBondContact O-CB 3.31Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 2.59Å; I106-L109 PolarHBondContact O-N 3.09Å; L109-G111 VanDerWaalsContact C-N 3.3Å
110	H	91.7	Very high	88.5	Confident	66 Å²	66	68.7 Å²	68.7	31%	0.306	39%	0.386	S	S	.	.	H	α-helix	trans	-76.4	-20.5	175	-168.3	-127.9	0	0	0	112	I106 D112 K117 K120 C122	I106-H110 VanDerWaalsContact O-CB 3.26Å; I106-H110 WeakPolarHBondContact O-CB 3.29Å; I106-H110 PolarHBondContact O-N 3.26Å; H110-D112 IonicContact CE1-OD1 2.65Å; H110-D112 IonicContact CG-OD1 3.63Å; H110-D112 IonicContact CG-OD2 3.87Å; H110-D112 IonicContact ND1-OD1 3.58Å; H110-D112 PolarHBondContact ND1-OD1 3.02Å; H110-D112 IonicContact ND1-OD2 3.6Å; H110-D112 PolarHBondContact ND1-OD2 3.08Å; H110-D112 VanDerWaalsContact ND1-OD2 3.07Å; H110-K117 PolarHBondContact CE1-NZ 2.72Å; H110-K117 VanDerWaalsContact CG-NZ 3.34Å; H110-K117 PolarHBondContact ND1-NZ 2.72Å; H110-K117 PolarHBondContact NE2-NZ 3.33Å; H110-K117 PolarHBondContact O-NZ 3.13Å; H110-K120 PolarHBondContact CE1-O 3.21Å; H110-C122 PolarHBondContact ND1-SG 2.93Å
111	G	90.8	Very high	88.3	Confident	18 Å²	18	70 Å²	70	19%	0.186	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	20.6	-177.2	0	0	0	0	0	114.1	A107 L108 L109 L113 D114 K117	A107-G111 PolarHBondContact O-N 3.47Å; L108-G111 PolarHBondContact O-N 2.89Å; L109-G111 VanDerWaalsContact C-N 3.3Å; G111-L113 PolarHBondContact O-N 3.19Å; G111-D114 PolarHBondContact O-N 3.44Å; G111-K117 VanDerWaalsContact O-CD 3.24Å; G111-K117 WeakPolarHBondContact O-CD 3.33Å
112	D	88.7	Confident	88	Confident	27 Å²	27	67.2 Å²	67.2	14%	0.144	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.8	-178.4	-63.4	-18.2	0	0	0	113.1	A107 H110 D114 K117 A121 C122	A107-D112 HydrophobicContact CB-CB 4.19Å; A107-D112 PolarHBondContact O-N 2.76Å; H110-D112 IonicContact CE1-OD1 2.65Å; H110-D112 IonicContact CG-OD1 3.63Å; H110-D112 IonicContact CG-OD2 3.87Å; H110-D112 IonicContact ND1-OD1 3.58Å; H110-D112 PolarHBondContact ND1-OD1 3.02Å; H110-D112 IonicContact ND1-OD2 3.6Å; H110-D112 PolarHBondContact ND1-OD2 3.08Å; H110-D112 VanDerWaalsContact ND1-OD2 3.07Å; D112-D114 VanDerWaalsContact C-N 3.33Å; D112-K117 IonicContact OD1-NZ 2.82Å; D112-K117 PolarHBondContact OD1-NZ 3.13Å; D112-A121 HydrophobicContact CB-CB 4.13Å; D112-A121 WeakPolarHBondContact OD1-CA 3Å; D112-C122 PolarHBondContact OD2-N 3.05Å
113	L	86.6	Confident	87.8	Confident	50 Å²	50	66 Å²	66	26%	0.262	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19	174.4	-59.7	-179	0	0	0	112.7	A107 L108 G111 A115 V126	A107-L113 HydrophobicContact CB-CD2 4.29Å; A107-L113 HydrophobicContact CB-CG 4.43Å; L108-L113 HydrophobicContact CB-CD1 4.01Å; L108-L113 HydrophobicContact CD1-CD1 3.64Å; L108-L113 HydrophobicContact CG-CD1 4.45Å; G111-L113 PolarHBondContact O-N 3.19Å; L113-A115 PolarHBondContact O-N 3.03Å; L113-V126 WeakPolarHBondContact CD2-O 3.42Å
114	D	83.2	Confident	87.6	Confident	108 Å²	108	68.1 Å²	68.1	58%	0.578	39%	0.387	S	S	*	.			trans	-83.8	110.3	179	-70.2	-27.1	0	0	0	109.6	G111 D112 S116 K117	G111-D114 PolarHBondContact O-N 3.44Å; D112-D114 VanDerWaalsContact C-N 3.33Å; D114-S116 PolarHBondContact O-N 2.73Å; D114-K117 WeakPolarHBondContact O-CB 3.2Å; D114-K117 PolarHBondContact O-N 3.1Å
115	A	75.4	Confident	87.4	Confident	115 Å²	115	68.2 Å²	68.2	95%	0.95	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.9	-179.6	0	0	0	0	0	114.1	L113	L113-A115 PolarHBondContact O-N 3.03Å
116	S	72.9	Confident	87.2	Confident	105 Å²	105	64.6 Å²	64.6	73%	0.734	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.7	177.3	57.6	0	0	0	0	114.1	D114 E118	D114-S116 PolarHBondContact O-N 2.73Å; S116-E118 PolarHBondContact O-N 3.14Å
117	K	73.7	Confident	87	Confident	71 Å²	71	68.8 Å²	68.8	31%	0.309	40%	0.395	S	S	.	.			trans	-73.1	111.5	-176.9	-175.3	178.3	170.7	-172.8	0	110.6	H110 G111 D112 D114 G119	H110-K117 PolarHBondContact CE1-NZ 2.72Å; H110-K117 VanDerWaalsContact CG-NZ 3.34Å; H110-K117 PolarHBondContact ND1-NZ 2.72Å; H110-K117 PolarHBondContact NE2-NZ 3.33Å; H110-K117 PolarHBondContact O-NZ 3.13Å; G111-K117 VanDerWaalsContact O-CD 3.24Å; G111-K117 WeakPolarHBondContact O-CD 3.33Å; D112-K117 IonicContact OD1-NZ 2.82Å; D112-K117 PolarHBondContact OD1-NZ 3.13Å; D114-K117 WeakPolarHBondContact O-CB 3.2Å; D114-K117 PolarHBondContact O-N 3.1Å; K117-G119 PolarHBondContact O-N 3.15Å
118	E	71.1	Confident	86.9	Confident	200 Å²	200	70.8 Å²	70.8	94%	0.935	41%	0.408	S	S	*	.			trans	-82	86.2	168.1	-65.5	-173.6	171.6	0	0	109.2	S116	S116-E118 PolarHBondContact O-N 3.14Å
119	G	79.5	Confident	87	Confident	50 Å²	50	70.5 Å²	70.5	52%	0.515	40%	0.404	S	S	.	.	S	Bend	trans	-172.9	161.9	177.5	0	0	0	0	0	112.4	K117 A121	K117-G119 PolarHBondContact O-N 3.15Å; G119-A121 PolarHBondContact O-N 3.39Å
120	K	88.6	Confident	87.2	Confident	120 Å²	120	68.2 Å²	68.2	52%	0.522	40%	0.396	S	S	.	.			trans	-65.4	128.8	171.1	-73.1	-178.2	174.1	-176.1	0	109	H110 D152 E153	H110-K120 PolarHBondContact CE1-O 3.21Å; K120-D152 IonicContact NZ-OD1 2.72Å; K120-D152 PolarHBondContact NZ-OD1 3.4Å; K120-D152 VanDerWaalsContact NZ-OD1 3.1Å; K120-D152 IonicContact NZ-OD2 3.07Å; K120-E153 HydrophobicContact CB-CB 4.3Å; K120-E153 HydrophobicContact CB-CG 4.34Å
121	A	91.7	Very high	87.4	Confident	27 Å²	27	65.2 Å²	65.2	22%	0.223	38%	0.382	C	S	.	.			trans	-71.9	153	171.8	0	0	0	0	0	110.6	D112 G119 V123 T151	D112-A121 HydrophobicContact CB-CB 4.13Å; D112-A121 WeakPolarHBondContact OD1-CA 3Å; G119-A121 PolarHBondContact O-N 3.39Å; A121-V123 VanDerWaalsContact C-N 3.29Å; A121-V123 PolarHBondContact O-N 2.88Å; A121-T151 WeakPolarHBondContact O-CB 3.34Å; A121-T151 WeakPolarHBondContact O-CG2 3.49Å; A121-T151 PolarHBondContact O-OG1 2.83Å
122	C	92.5	Very high	87.6	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.014	37%	0.373	C	S	.	.	S	Bend	trans	-62.4	-39.9	171.6	-64.7	0	0	0	0	111.5	I106 H110 D112 T151 C154 A157	I106-C122 HydrophobicContact CG2-CB 4.03Å; H110-C122 PolarHBondContact ND1-SG 2.93Å; D112-C122 PolarHBondContact OD2-N 3.05Å; C122-T151 PolarHBondContact O-N 2.9Å; C122-T151 PolarHBondContact O-OG1 2.87Å; C122-C154 WeakPolarHBondContact CA-SG 3.47Å; C122-C154 HydrophobicContact CB-CB 3.56Å; C122-C154 WeakPolarHBondContact CB-SG 3.23Å; C122-C154 WeakPolarHBondContact SG-CB 3.48Å; C122-C154 CovalentContact SG-SG 2.02Å; C122-C154 PolarHBondContact SG-SG 3.4Å; C122-A157 HydrophobicContact CB-CB 4.21Å
123	V	93.3	Very high	88	Confident	8 Å²	8	65.4 Å²	65.4	5%	0.048	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-135.8	119.8	174.5	-174.2	0	0	0	0	107.7	F103 A121 V126 F135 C149 A157	F103-V123 HydrophobicContact CD1-CG2 4.4Å; A121-V123 VanDerWaalsContact C-N 3.29Å; A121-V123 PolarHBondContact O-N 2.88Å; V123-V126 HydrophobicContact CB-CG2 3.76Å; V123-V126 HydrophobicContact CG1-CG2 3.51Å; V123-F135 HydrophobicContact CG1-CD1 3.94Å; V123-F135 HydrophobicContact CG1-CD2 3.85Å; V123-F135 HydrophobicContact CG1-CE1 3.86Å; V123-F135 HydrophobicContact CG1-CE2 3.76Å; V123-F135 HydrophobicContact CG1-CG 3.94Å; V123-F135 HydrophobicContact CG1-CZ 3.77Å; V123-F135 HydrophobicContact CG2-CE1 3.99Å; V123-F135 HydrophobicContact CG2-CZ 4.27Å; V123-C149 CarbonylContact C-O 3.59Å; V123-C149 WeakPolarHBondContact CA-O 3.35Å; V123-A157 HydrophobicContact CG2-CB 4.48Å
124	S	92	Very high	88.5	Confident	47 Å²	47	66.1 Å²	66.1	33%	0.329	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	142	-179.3	-165.3	0	0	0	0	111.1	V126 R148 C149	S124-V126 VanDerWaalsContact C-N 3.27Å; S124-V126 PolarHBondContact O-N 2.59Å; S124-R148 WeakPolarHBondContact O-CA 3.45Å; S124-C149 PolarHBondContact N-O 3.17Å
125	E	91.3	Very high	89.2	Confident	92 Å²	92	61.4 Å²	61.4	43%	0.43	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	23.8	174	-58.4	-60.1	133.6	0	0	115.8	N127 F147 R148	E125-N127 PolarHBondContact O-N 2.88Å; E125-F147 HydrophobicContact CB-CD1 4.11Å; E125-F147 HydrophobicContact CB-CE1 3.7Å; E125-F147 HydrophobicContact CB-CZ 4.12Å; E125-F147 HydrophobicContact CG-CD1 4.34Å; E125-F147 HydrophobicContact CG-CE1 3.81Å; E125-F147 HydrophobicContact CG-CE2 4.15Å; E125-F147 HydrophobicContact CG-CZ 3.7Å; E125-R148 HydrophobicContact CB-CG 4.17Å
126	V	92.7	Very high	90.3	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.048	31%	0.309	C	S	.	.			trans	-92	81.2	169.3	-178.8	0	0	0	0	109.9	A107 L113 V123 S124 A132	A107-V126 HydrophobicContact CB-CG1 4Å; L113-V126 WeakPolarHBondContact CD2-O 3.42Å; V123-V126 HydrophobicContact CB-CG2 3.76Å; V123-V126 HydrophobicContact CG1-CG2 3.51Å; S124-V126 VanDerWaalsContact C-N 3.27Å; S124-V126 PolarHBondContact O-N 2.59Å; V126-A132 HydrophobicContact CG1-CB 3.68Å
127	N	89.8	Confident	91.4	Very high	108 Å²	108	52.6 Å²	52.6	58%	0.578	28%	0.283	S	S	*	.			trans	-98.7	-7.5	-177.2	62.5	12	0	0	0	114.7	E125	E125-N127 PolarHBondContact O-N 2.88Å
128	S	93.5	Very high	92.5	Very high	45 Å²	45	49.5 Å²	49.5	32%	0.315	27%	0.27	S	S	.	.	S	Bend	trans	-154.7	163.1	-174.4	58.7	0	0	0	0	110.4	T130 A131 A132	S128-T130 PolarHBondContact O-N 3.32Å; S128-A131 WeakPolarHBondContact O-CB 3.36Å; S128-A131 PolarHBondContact O-N 3.37Å; S128-A131 VanDerWaalsContact O-N 3.09Å; S128-A131 PolarHBondContact OG-N 3.17Å; S128-A132 PolarHBondContact O-N 2.75Å
129	F	95.3	Very high	93.8	Very high	77 Å²	77	41 Å²	41	34%	0.338	23%	0.232	S	C	.	.	H	α-helix	trans	-56.5	-40.2	173	178	-101.3	0	0	0	111.6	L97 C101 W104 A131 A132 F133	L97-F129 HydrophobicContact CD2-CZ 4.23Å; C101-F129 VanDerWaalsContact SG-CE2 3.59Å; W104-F129 HydrophobicContact CB-CD2 4.07Å; W104-F129 HydrophobicContact CD2-CD2 4.26Å; W104-F129 HydrophobicContact CG-CB 4.38Å; W104-F129 AromaticContact CG-CD2 3.97Å; W104-F129 HydrophobicContact CG-CD2 3.97Å; F129-A131 VanDerWaalsContact C-N 3.32Å; F129-A131 PolarHBondContact O-N 3.06Å; F129-A132 PolarHBondContact O-N 2.89Å; F129-F133 HydrophobicContact CE1-CB 4.47Å; F129-F133 WeakPolarHBondContact O-CB 3.42Å; F129-F133 PolarHBondContact O-N 3.28Å
130	T	96.2	Very high	94.6	Very high	89 Å²	89	39.1 Å²	39.1	55%	0.546	21%	0.209	S	C	.	.	H	α-helix	trans	-60.6	-41	176.2	-50.9	0	0	0	0	111.7	S128 F133 L134	S128-T130 PolarHBondContact O-N 3.32Å; T130-F133 PolarHBondContact O-N 2.85Å; T130-L134 HydrophobicContact CG2-CD1 4.35Å; T130-L134 WeakPolarHBondContact O-CB 3.47Å; T130-L134 VanDerWaalsContact O-CG 3.28Å; T130-L134 WeakPolarHBondContact O-CG 3.45Å; T130-L134 PolarHBondContact O-N 2.78Å
131	A	95.7	Very high	95	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-41.6	175.8	0	0	0	0	0	112.1	S128 F129 L134 F135 R148	S128-A131 WeakPolarHBondContact O-CB 3.36Å; S128-A131 PolarHBondContact O-N 3.37Å; S128-A131 VanDerWaalsContact O-N 3.09Å; S128-A131 PolarHBondContact OG-N 3.17Å; F129-A131 VanDerWaalsContact C-N 3.32Å; F129-A131 PolarHBondContact O-N 3.06Å; A131-L134 PolarHBondContact O-N 3.32Å; A131-F135 PolarHBondContact O-N 2.95Å; A131-R148 VanDerWaalsContact O-CD 3.31Å; A131-R148 WeakPolarHBondContact O-CD 3.17Å
132	A	96.6	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-40	174.8	0	0	0	0	0	112.2	G100 F103 W104 V126 S128 F129 F135 S136	G100-A132 WeakPolarHBondContact O-CB 3.39Å; F103-A132 HydrophobicContact CB-CB 4.37Å; W104-A132 HydrophobicContact CB-CB 3.68Å; V126-A132 HydrophobicContact CG1-CB 3.68Å; S128-A132 PolarHBondContact O-N 2.75Å; F129-A132 PolarHBondContact O-N 2.89Å; A132-F135 PolarHBondContact O-N 2.78Å; A132-S136 WeakPolarHBondContact O-CB 3.37Å; A132-S136 PolarHBondContact O-N 3.12Å
133	F	97.4	Very high	95.4	Very high	49 Å²	49	44.2 Å²	44.2	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-42.8	175.5	178.7	-113.1	0	0	0	112.1	W96 L97 F129 T130 S136 I137	W96-F133 HydrophobicContact CB-CD2 4.41Å; W96-F133 HydrophobicContact CB-CE2 3.7Å; W96-F133 HydrophobicContact CB-CZ 4.41Å; L97-F133 HydrophobicContact CD2-CD2 3.94Å; L97-F133 HydrophobicContact CD2-CE2 3.71Å; L97-F133 HydrophobicContact CD2-CZ 4.43Å; L97-F133 HydrophobicContact CG-CE2 3.95Å; F129-F133 HydrophobicContact CE1-CB 4.47Å; F129-F133 WeakPolarHBondContact O-CB 3.42Å; F129-F133 PolarHBondContact O-N 3.28Å; T130-F133 PolarHBondContact O-N 2.85Å; F133-S136 WeakPolarHBondContact O-CB 3.47Å; F133-S136 PolarHBondContact O-N 2.83Å; F133-I137 HydrophobicContact CD1-CD1 3.89Å; F133-I137 HydrophobicContact CE1-CD1 3.41Å; F133-I137 VanDerWaalsContact CE1-CD1 3.41Å; F133-I137 HydrophobicContact CE1-CG1 4.42Å; F133-I137 HydrophobicContact CE2-CD1 4.19Å; F133-I137 HydrophobicContact CE2-CG1 4.4Å; F133-I137 HydrophobicContact CG-CD1 4.47Å; F133-I137 HydrophobicContact CZ-CD1 3.59Å; F133-I137 HydrophobicContact CZ-CG1 4.24Å; F133-I137 WeakPolarHBondContact O-CG1 3.48Å; F133-I137 PolarHBondContact O-N 2.83Å
134	L	97.2	Very high	95.4	Very high	65 Å²	65	46.2 Å²	46.2	34%	0.34	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-45.2	173.8	-71.8	171.8	0	0	0	111.3	T130 A131 S136 I137 E138	T130-L134 HydrophobicContact CG2-CD1 4.35Å; T130-L134 WeakPolarHBondContact O-CB 3.47Å; T130-L134 VanDerWaalsContact O-CG 3.28Å; T130-L134 WeakPolarHBondContact O-CG 3.45Å; T130-L134 PolarHBondContact O-N 2.78Å; A131-L134 PolarHBondContact O-N 3.32Å; L134-S136 VanDerWaalsContact C-N 3.3Å; L134-S136 PolarHBondContact O-N 2.8Å; L134-I137 PolarHBondContact O-N 2.99Å; L134-E138 WeakPolarHBondContact O-CB 3.38Å; L134-E138 VanDerWaalsContact O-CG 3.22Å; L134-E138 WeakPolarHBondContact O-CG 3.42Å; L134-E138 PolarHBondContact O-N 2.57Å
135	F	97.2	Very high	95.6	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.035	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-41.4	175	177.6	-109.1	0	0	0	112.4	F103 V123 A131 A132 E138 T139 R148 V150 V161	F103-F135 HydrophobicContact CB-CD1 4.41Å; F103-F135 HydrophobicContact CD1-CD1 4.16Å; F103-F135 AromaticContact CD1-CE1 3.83Å; F103-F135 HydrophobicContact CD1-CE1 3.83Å; F103-F135 AromaticContact CD2-CD1 3.75Å; F103-F135 HydrophobicContact CD2-CD1 3.75Å; F103-F135 AromaticContact CD2-CE1 3.99Å; F103-F135 HydrophobicContact CD2-CE1 3.99Å; F103-F135 HydrophobicContact CE1-CD1 4.39Å; F103-F135 AromaticContact CE1-CE1 3.7Å; F103-F135 HydrophobicContact CE1-CE1 3.7Å; F103-F135 HydrophobicContact CE2-CD1 4Å; F103-F135 AromaticContact CE2-CE1 3.87Å; F103-F135 HydrophobicContact CE2-CE1 3.87Å; F103-F135 AromaticContact CG-CD1 3.85Å; F103-F135 HydrophobicContact CG-CD1 3.85Å; F103-F135 AromaticContact CG-CE1 3.98Å; F103-F135 HydrophobicContact CG-CE1 3.98Å; F103-F135 HydrophobicContact CZ-CD1 4.32Å; F103-F135 AromaticContact CZ-CE1 3.72Å; F103-F135 HydrophobicContact CZ-CE1 3.72Å; V123-F135 HydrophobicContact CG1-CD1 3.94Å; V123-F135 HydrophobicContact CG1-CD2 3.85Å; V123-F135 HydrophobicContact CG1-CE1 3.86Å; V123-F135 HydrophobicContact CG1-CE2 3.76Å; V123-F135 HydrophobicContact CG1-CG 3.94Å; V123-F135 HydrophobicContact CG1-CZ 3.77Å; V123-F135 HydrophobicContact CG2-CE1 3.99Å; V123-F135 HydrophobicContact CG2-CZ 4.27Å; A131-F135 PolarHBondContact O-N 2.95Å; A132-F135 PolarHBondContact O-N 2.78Å; F135-E138 PolarHBondContact O-N 3.03Å; F135-T139 WeakPolarHBondContact O-CB 3.32Å; F135-T139 PolarHBondContact O-N 2.92Å; F135-T139 PolarHBondContact O-OG1 3.45Å; F135-R148 HydrophobicContact CB-CB 4.12Å; F135-R148 HydrophobicContact CD2-CB 3.68Å; F135-R148 HydrophobicContact CG-CB 4.28Å; F135-V150 HydrophobicContact CZ-CB 4.28Å; F135-V161 HydrophobicContact CE1-CG2 4.36Å; F135-V161 HydrophobicContact CZ-CG2 4.13Å
136	S	97.6	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-45.5	174.4	173.6	0	0	0	0	112.2	W96 F99 G100 A132 F133 L134 T139 Q140 Q164	W96-S136 WeakPolarHBondContact CA-OG 3.5Å; W96-S136 WeakPolarHBondContact O-CB 3.2Å; W96-S136 PolarHBondContact O-OG 2.93Å; F99-S136 VanDerWaalsContact CB-OG 3.29Å; F99-S136 WeakPolarHBondContact CB-OG 3.41Å; G100-S136 PolarHBondContact N-OG 2.88Å; A132-S136 WeakPolarHBondContact O-CB 3.37Å; A132-S136 PolarHBondContact O-N 3.12Å; F133-S136 WeakPolarHBondContact O-CB 3.47Å; F133-S136 PolarHBondContact O-N 2.83Å; L134-S136 VanDerWaalsContact C-N 3.3Å; L134-S136 PolarHBondContact O-N 2.8Å; S136-T139 PolarHBondContact O-N 3.15Å; S136-Q140 WeakPolarHBondContact O-CB 3.43Å; S136-Q140 PolarHBondContact O-N 3.3Å; S136-Q164 PolarHBondContact O-NE2 3.04Å; S136-Q164 PolarHBondContact OG-NE2 2.68Å
137	I	97.5	Very high	95.7	Very high	35 Å²	35	55.9 Å²	55.9	18%	0.179	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-51	174.9	-67.4	167	0	0	0	110.3	W96 F133 L134 T139 Q140 T141	W96-I137 HydrophobicContact CB-CG1 4.01Å; W96-I137 HydrophobicContact CD2-CG1 3.83Å; W96-I137 HydrophobicContact CE3-CD1 4.33Å; W96-I137 HydrophobicContact CE3-CG1 4.01Å; W96-I137 HydrophobicContact CG-CG1 3.85Å; F133-I137 HydrophobicContact CD1-CD1 3.89Å; F133-I137 HydrophobicContact CE1-CD1 3.41Å; F133-I137 VanDerWaalsContact CE1-CD1 3.41Å; F133-I137 HydrophobicContact CE1-CG1 4.42Å; F133-I137 HydrophobicContact CE2-CD1 4.19Å; F133-I137 HydrophobicContact CE2-CG1 4.4Å; F133-I137 HydrophobicContact CG-CD1 4.47Å; F133-I137 HydrophobicContact CZ-CD1 3.59Å; F133-I137 HydrophobicContact CZ-CG1 4.24Å; F133-I137 WeakPolarHBondContact O-CG1 3.48Å; F133-I137 PolarHBondContact O-N 2.83Å; L134-I137 PolarHBondContact O-N 2.99Å; I137-T139 VanDerWaalsContact C-N 3.25Å; I137-T139 PolarHBondContact O-N 3.11Å; I137-Q140 PolarHBondContact O-N 2.84Å; I137-T141 HydrophobicContact CG2-CG2 4.15Å; I137-T141 WeakPolarHBondContact O-CB 3.36Å; I137-T141 WeakPolarHBondContact O-CG2 3.33Å; I137-T141 PolarHBondContact O-N 2.85Å; I137-T141 PolarHBondContact O-OG1 3.02Å
138	E	97.2	Very high	96	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.028	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-40	-177.9	-71.6	170.8	-139.8	0	0	112	L134 F135 T142 I143 G144 Y145 R148	L134-E138 WeakPolarHBondContact O-CB 3.38Å; L134-E138 VanDerWaalsContact O-CG 3.22Å; L134-E138 WeakPolarHBondContact O-CG 3.42Å; L134-E138 PolarHBondContact O-N 2.57Å; F135-E138 PolarHBondContact O-N 3.03Å; E138-T142 CarbonylContact O-C 3.53Å; E138-T142 PolarHBondContact O-N 3.07Å; E138-I143 PolarHBondContact O-N 3.22Å; E138-I143 VanDerWaalsContact O-N 3.1Å; E138-G144 PolarHBondContact O-N 3.17Å; E138-Y145 VanDerWaalsContact CD-CD2 3.46Å; E138-Y145 HydrophobicContact CG-CD2 3.58Å; E138-Y145 HydrophobicContact CG-CE2 3.97Å; E138-R148 IonicContact OE1-CZ 3.54Å; E138-R148 IonicContact OE1-NH1 3.44Å; E138-R148 PolarHBondContact OE1-NH1 2.75Å
139	T	96.9	Very high	96	Very high	23 Å²	23	54 Å²	54	14%	0.141	30%	0.3	C	S	.	.	H	α-helix	trans	-71.9	-49.2	179.9	-57.6	0	0	0	0	111.5	F135 S136 I137 T142 V161 Q164	F135-T139 WeakPolarHBondContact O-CB 3.32Å; F135-T139 PolarHBondContact O-N 2.92Å; F135-T139 PolarHBondContact O-OG1 3.45Å; S136-T139 PolarHBondContact O-N 3.15Å; I137-T139 VanDerWaalsContact C-N 3.25Å; I137-T139 PolarHBondContact O-N 3.11Å; T139-T142 PolarHBondContact O-N 2.83Å; T139-V161 HydrophobicContact CG2-CG1 3.96Å; T139-V161 HydrophobicContact CG2-CG2 4.46Å; T139-Q164 VanDerWaalsContact CG2-OE1 3.25Å
140	Q	96.9	Very high	96	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-73.1	-37.6	-175.8	-163.3	173.1	-43.6	0	0	113.1	S95 S136 I137 T142 Q164	S95-Q140 PolarHBondContact OG-NE2 3.47Å; S95-Q140 PolarHBondContact OG-OE1 2.88Å; S136-Q140 WeakPolarHBondContact O-CB 3.43Å; S136-Q140 PolarHBondContact O-N 3.3Å; I137-Q140 PolarHBondContact O-N 2.84Å; Q140-T142 PolarHBondContact O-N 3.08Å; Q140-Q164 HydrophobicContact CB-CG 4.13Å; Q140-Q164 HydrophobicContact CG-CG 4.31Å
141	T	96.5	Very high	95.9	Very high	47 Å²	47	50 Å²	50	29%	0.288	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-2.5	178.1	60.5	0	0	0	0	112.8	W96 I137 I143	W96-T141 HydrophobicContact CZ2-CG2 3.68Å; I137-T141 HydrophobicContact CG2-CG2 4.15Å; I137-T141 WeakPolarHBondContact O-CB 3.36Å; I137-T141 WeakPolarHBondContact O-CG2 3.33Å; I137-T141 PolarHBondContact O-N 2.85Å; I137-T141 PolarHBondContact O-OG1 3.02Å; T141-I143 PolarHBondContact O-N 3.4Å; T141-I143 VanDerWaalsContact O-N 3.17Å; T141-I143 VanDerWaalsContact OG1-CD1 3.28Å; T141-I143 WeakPolarHBondContact OG1-CD1 3.39Å; T141-I143 VanDerWaalsContact OG1-CG1 3.29Å; T141-I143 WeakPolarHBondContact OG1-CG1 3.15Å
142	T	96.7	Very high	95.8	Very high	123 Å²	123	55.9 Å²	55.9	76%	0.755	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	20.9	-178.4	70.9	0	0	0	0	114.1	E138 T139 Q140	E138-T142 CarbonylContact O-C 3.53Å; E138-T142 PolarHBondContact O-N 3.07Å; T139-T142 PolarHBondContact O-N 2.83Å; Q140-T142 PolarHBondContact O-N 3.08Å
143	I	96.9	Very high	95.6	Very high	86 Å²	86	60.4 Å²	60.4	44%	0.441	33%	0.334	S	S	.	.			trans	-67.7	-46.7	175.8	-66.1	169.5	0	0	0	110	E138 T141 Y145	E138-I143 PolarHBondContact O-N 3.22Å; E138-I143 VanDerWaalsContact O-N 3.1Å; T141-I143 PolarHBondContact O-N 3.4Å; T141-I143 VanDerWaalsContact O-N 3.17Å; T141-I143 VanDerWaalsContact OG1-CD1 3.28Å; T141-I143 WeakPolarHBondContact OG1-CD1 3.39Å; T141-I143 VanDerWaalsContact OG1-CG1 3.29Å; T141-I143 WeakPolarHBondContact OG1-CG1 3.15Å; I143-Y145 HydrophobicContact CG2-CD1 3.81Å; I143-Y145 HydrophobicContact CG2-CD2 4.16Å; I143-Y145 HydrophobicContact CG2-CE1 3.44Å; I143-Y145 VanDerWaalsContact CG2-CE1 3.44Å; I143-Y145 HydrophobicContact CG2-CE2 3.81Å; I143-Y145 HydrophobicContact CG2-CG 4.15Å; I143-Y145 VanDerWaalsContact CG2-CZ 3.43Å; I143-Y145 PolarHBondContact O-N 3.36Å
144	G	93.4	Very high	95.4	Very high	50 Å²	50	58.6 Å²	58.6	52%	0.515	33%	0.327	S	S	.	.			trans	49.1	63	172.7	0	0	0	0	0	115	E138 G146	E138-G144 PolarHBondContact O-N 3.17Å; G144-G146 PolarHBondContact O-N 2.89Å
145	Y	95.1	Very high	95.3	Very high	171 Å²	171	60.5 Å²	60.5	67%	0.671	34%	0.343	S	S	*	.			trans	-58.2	-25.1	-179.4	-64.2	-62	0	0	0	113.3	E138 I143 F147	E138-Y145 VanDerWaalsContact CD-CD2 3.46Å; E138-Y145 HydrophobicContact CG-CD2 3.58Å; E138-Y145 HydrophobicContact CG-CE2 3.97Å; I143-Y145 HydrophobicContact CG2-CD1 3.81Å; I143-Y145 HydrophobicContact CG2-CD2 4.16Å; I143-Y145 HydrophobicContact CG2-CE1 3.44Å; I143-Y145 VanDerWaalsContact CG2-CE1 3.44Å; I143-Y145 HydrophobicContact CG2-CE2 3.81Å; I143-Y145 HydrophobicContact CG2-CG 4.15Å; I143-Y145 VanDerWaalsContact CG2-CZ 3.43Å; I143-Y145 PolarHBondContact O-N 3.36Å; Y145-F147 VanDerWaalsContact C-N 3.34Å; Y145-F147 PolarHBondContact O-N 3.2Å
146	G	92.8	Very high	95.2	Very high	53 Å²	53	64.9 Å²	64.9	55%	0.546	37%	0.366	S	S	.	.	S	Bend	trans	88.8	-6.7	174.7	0	0	0	0	0	114.8	G144 R148	G144-G146 PolarHBondContact O-N 2.89Å; G146-R148 VanDerWaalsContact C-N 3.35Å
147	F	93.8	Very high	95.1	Very high	127 Å²	127	64.9 Å²	64.9	56%	0.557	37%	0.366	S	S	*	.	S	Bend	trans	-67.8	-36.8	172.2	-175.4	-107.8	0	0	0	111.8	E125 Y145	E125-F147 HydrophobicContact CB-CD1 4.11Å; E125-F147 HydrophobicContact CB-CE1 3.7Å; E125-F147 HydrophobicContact CB-CZ 4.12Å; E125-F147 HydrophobicContact CG-CD1 4.34Å; E125-F147 HydrophobicContact CG-CE1 3.81Å; E125-F147 HydrophobicContact CG-CE2 4.15Å; E125-F147 HydrophobicContact CG-CZ 3.7Å; Y145-F147 VanDerWaalsContact C-N 3.34Å; Y145-F147 PolarHBondContact O-N 3.2Å
148	R	94.9	Very high	95.1	Very high	45 Å²	45	66.3 Å²	66.3	17%	0.17	38%	0.376	C	S	.	.	S	Bend	trans	-107.4	118.3	172.4	-62.8	169	-167.4	86.6	11.1	108.1	S124 E125 A131 F135 E138 G146	S124-R148 WeakPolarHBondContact O-CA 3.45Å; E125-R148 HydrophobicContact CB-CG 4.17Å; A131-R148 VanDerWaalsContact O-CD 3.31Å; A131-R148 WeakPolarHBondContact O-CD 3.17Å; F135-R148 HydrophobicContact CB-CB 4.12Å; F135-R148 HydrophobicContact CD2-CB 3.68Å; F135-R148 HydrophobicContact CG-CB 4.28Å; E138-R148 IonicContact OE1-CZ 3.54Å; E138-R148 IonicContact OE1-NH1 3.44Å; E138-R148 PolarHBondContact OE1-NH1 2.75Å; G146-R148 VanDerWaalsContact C-N 3.35Å
149	C	94.7	Very high	95.1	Very high	69 Å²	69	71.8 Å²	71.8	47%	0.466	40%	0.4	S	S	.	.			trans	-137.3	137.9	-173.3	-167.6	0	0	0	0	110.7	V123 S124	V123-C149 CarbonylContact C-O 3.59Å; V123-C149 WeakPolarHBondContact CA-O 3.35Å; S124-C149 PolarHBondContact N-O 3.17Å
150	V	95.4	Very high	95.1	Very high	46 Å²	46	71.7 Å²	71.7	28%	0.279	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-70.6	138.3	174	64.2	0	0	0	0	110	F135 A157 V158 V161	F135-V150 HydrophobicContact CZ-CB 4.28Å; V150-A157 HydrophobicContact CG2-CB 4.04Å; V150-V158 HydrophobicContact CG2-CG2 4.2Å; V150-V161 HydrophobicContact CB-CG2 4.26Å; V150-V161 HydrophobicContact CG1-CG2 4.35Å; V150-V161 HydrophobicContact CG2-CG2 4.28Å
151	T	93.9	Very high	95.1	Very high	36 Å²	36	72.6 Å²	72.6	22%	0.221	40%	0.404	C	S	.	.			trans	-103.9	172.2	178	72.5	0	0	0	0	111.5	A121 C122 E153	A121-T151 WeakPolarHBondContact O-CB 3.34Å; A121-T151 WeakPolarHBondContact O-CG2 3.49Å; A121-T151 PolarHBondContact O-OG1 2.83Å; C122-T151 PolarHBondContact O-N 2.9Å; C122-T151 PolarHBondContact O-OG1 2.87Å; T151-E153 PolarHBondContact O-N 2.8Å; T151-E153 PolarHBondContact OG1-N 3.08Å
152	D	92.7	Very high	95.1	Very high	125 Å²	125	74.1 Å²	74.1	67%	0.668	41%	0.413	S	S	*	.	S	Bend	trans	-78.9	-1	176.2	58.2	-28	0	0	0	114	K120	K120-D152 IonicContact NZ-OD1 2.72Å; K120-D152 PolarHBondContact NZ-OD1 3.4Å; K120-D152 VanDerWaalsContact NZ-OD1 3.1Å; K120-D152 IonicContact NZ-OD2 3.07Å
153	E	92.2	Very high	95.2	Very high	96 Å²	96	72.5 Å²	72.5	45%	0.449	40%	0.396	S	S	.	.	S	Bend	trans	-73	-40.6	-173.4	-168.3	64	-157.8	0	0	112.7	K120 T151 P155	K120-E153 HydrophobicContact CB-CB 4.3Å; K120-E153 HydrophobicContact CB-CG 4.34Å; T151-E153 PolarHBondContact O-N 2.8Å; T151-E153 PolarHBondContact OG1-N 3.08Å; E153-P155 WeakPolarHBondContact O-CD 3.33Å
154	C	94	Very high	95.2	Very high	10 Å²	10	68.4 Å²	68.4	7%	0.068	38%	0.375	C	S	.	.			trans	-117	100.8	-168.8	-56.9	0	0	0	0	111.4	C122 I156 A157 V158	C122-C154 WeakPolarHBondContact CA-SG 3.47Å; C122-C154 HydrophobicContact CB-CB 3.56Å; C122-C154 WeakPolarHBondContact CB-SG 3.23Å; C122-C154 WeakPolarHBondContact SG-CB 3.48Å; C122-C154 CovalentContact SG-SG 2.02Å; C122-C154 PolarHBondContact SG-SG 3.4Å; C154-I156 HydrophobicContact CB-CG2 4.37Å; C154-I156 PolarHBondContact O-N 3.13Å; C154-I156 VanDerWaalsContact O-N 3.13Å; C154-A157 HydrophobicContact CB-CB 3.98Å; C154-A157 WeakPolarHBondContact O-CB 3.16Å; C154-A157 PolarHBondContact O-N 3.47Å; C154-V158 PolarHBondContact O-N 3.1Å
155	P	95	Very high	95.4	Very high	106 Å²	106	68.4 Å²	68.4	69%	0.688	37%	0.367	S	S	*	.	H	α-helix	trans	-56.9	-31.9	178.7	-26.8	34.4	0	0	0	113.5	E153 A157 V158 F159	E153-P155 WeakPolarHBondContact O-CD 3.33Å; P155-A157 VanDerWaalsContact C-N 3.35Å; P155-V158 PolarHBondContact O-N 3.46Å; P155-F159 WeakPolarHBondContact O-CB 3.44Å; P155-F159 PolarHBondContact O-N 2.77Å
156	I	95.9	Very high	95.5	Very high	100 Å²	100	64.8 Å²	64.8	51%	0.513	36%	0.358	S	S	.	.	H	α-helix	trans	-64.1	-38.3	176.1	-167.1	70.4	0	0	0	111.8	I106 C154 F159 M160	I106-I156 HydrophobicContact CD1-CG1 4.49Å; I106-I156 HydrophobicContact CD1-CG2 4.41Å; I106-I156 HydrophobicContact CG1-CG2 4.47Å; I106-I156 HydrophobicContact CG2-CG2 4.31Å; C154-I156 HydrophobicContact CB-CG2 4.37Å; C154-I156 PolarHBondContact O-N 3.13Å; C154-I156 VanDerWaalsContact O-N 3.13Å; I156-F159 PolarHBondContact O-N 2.84Å; I156-M160 WeakPolarHBondContact O-CB 3.41Å; I156-M160 VanDerWaalsContact O-CG 3.28Å; I156-M160 WeakPolarHBondContact O-CG 3.31Å; I156-M160 PolarHBondContact O-N 3.17Å
157	A	95.7	Very high	95.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-68	-43.1	178	0	0	0	0	0	110.7	I106 C122 V123 V150 C154 P155 F159 M160 V161	I106-A157 HydrophobicContact CG2-CB 4.44Å; C122-A157 HydrophobicContact CB-CB 4.21Å; V123-A157 HydrophobicContact CG2-CB 4.48Å; V150-A157 HydrophobicContact CG2-CB 4.04Å; C154-A157 HydrophobicContact CB-CB 3.98Å; C154-A157 WeakPolarHBondContact O-CB 3.16Å; C154-A157 PolarHBondContact O-N 3.47Å; P155-A157 VanDerWaalsContact C-N 3.35Å; A157-F159 PolarHBondContact O-N 2.85Å; A157-M160 PolarHBondContact O-N 3.03Å; A157-V161 WeakPolarHBondContact O-CG2 3.22Å; A157-V161 PolarHBondContact O-N 2.81Å
158	V	96.3	Very high	95.9	Very high	65 Å²	65	57.9 Å²	57.9	39%	0.394	32%	0.317	S	S	.	.	H	α-helix	trans	-59.2	-46.7	174.4	179.7	0	0	0	0	110.9	V150 C154 P155 M160 V161 V162	V150-V158 HydrophobicContact CG2-CG2 4.2Å; C154-V158 PolarHBondContact O-N 3.1Å; P155-V158 PolarHBondContact O-N 3.46Å; V158-M160 VanDerWaalsContact C-N 3.35Å; V158-M160 PolarHBondContact O-N 2.94Å; V158-V161 PolarHBondContact O-N 3.39Å; V158-V162 WeakPolarHBondContact O-CG2 3.47Å; V158-V162 PolarHBondContact O-N 3.2Å
159	F	97.2	Very high	96	Very high	120 Å²	120	60 Å²	60	53%	0.526	34%	0.337	S	S	.	.	H	α-helix	trans	-59.8	-43.8	175.5	175.1	-95.2	0	0	0	112.2	P155 I156 A157 V161 V162 F163	P155-F159 WeakPolarHBondContact O-CB 3.44Å; P155-F159 PolarHBondContact O-N 2.77Å; I156-F159 PolarHBondContact O-N 2.84Å; A157-F159 PolarHBondContact O-N 2.85Å; F159-V161 VanDerWaalsContact C-N 3.34Å; F159-V161 PolarHBondContact O-N 3.25Å; F159-V162 PolarHBondContact O-N 3.19Å; F159-F163 HydrophobicContact CE1-CB 4.37Å; F159-F163 WeakPolarHBondContact O-CB 3.23Å; F159-F163 PolarHBondContact O-N 2.89Å
160	M	96.8	Very high	96	Very high	21 Å²	21	60.8 Å²	60.8	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-36.6	178.9	-73.1	-51.9	-50.7	0	0	112.7	F99 V102 F103 I106 I156 A157 V158 F163 Q164	F99-M160 HydrophobicContact CD1-CE 3.74Å; F99-M160 HydrophobicContact CE1-CE 3.54Å; V102-M160 HydrophobicContact CB-CE 4.36Å; V102-M160 HydrophobicContact CG1-CE 3.73Å; V102-M160 HydrophobicContact CG1-CG 3.95Å; V102-M160 HydrophobicContact CG1-SD 4.08Å; V102-M160 HydrophobicContact CG2-CE 4.5Å; F103-M160 HydrophobicContact CE1-CB 3.87Å; F103-M160 HydrophobicContact CZ-CB 4.09Å; I106-M160 HydrophobicContact CD1-CB 4.48Å; I106-M160 HydrophobicContact CD1-CG 3.91Å; I156-M160 WeakPolarHBondContact O-CB 3.41Å; I156-M160 VanDerWaalsContact O-CG 3.28Å; I156-M160 WeakPolarHBondContact O-CG 3.31Å; I156-M160 PolarHBondContact O-N 3.17Å; A157-M160 PolarHBondContact O-N 3.03Å; V158-M160 VanDerWaalsContact C-N 3.35Å; V158-M160 PolarHBondContact O-N 2.94Å; M160-F163 HydrophobicContact CE-CD1 4.08Å; M160-Q164 WeakPolarHBondContact O-CB 3.36Å; M160-Q164 PolarHBondContact O-N 3.26Å
161	V	97.2	Very high	96	Very high	28 Å²	28	60.2 Å²	60.2	17%	0.17	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-48.8	172.3	170.3	0	0	0	0	110.5	F103 F135 T139 V150 A157 V158 F159 F163 Q164 S165	F103-V161 HydrophobicContact CE1-CG2 4.05Å; F103-V161 HydrophobicContact CZ-CG2 3.93Å; F135-V161 HydrophobicContact CE1-CG2 4.36Å; F135-V161 HydrophobicContact CZ-CG2 4.13Å; T139-V161 HydrophobicContact CG2-CG1 3.96Å; T139-V161 HydrophobicContact CG2-CG2 4.46Å; V150-V161 HydrophobicContact CB-CG2 4.26Å; V150-V161 HydrophobicContact CG1-CG2 4.35Å; V150-V161 HydrophobicContact CG2-CG2 4.28Å; A157-V161 WeakPolarHBondContact O-CG2 3.22Å; A157-V161 PolarHBondContact O-N 2.81Å; V158-V161 PolarHBondContact O-N 3.39Å; F159-V161 VanDerWaalsContact C-N 3.34Å; F159-V161 PolarHBondContact O-N 3.25Å; V161-F163 PolarHBondContact O-N 3.25Å; V161-Q164 PolarHBondContact O-N 2.8Å; V161-S165 PolarHBondContact O-N 2.96Å; V161-S165 PolarHBondContact O-OG 3.42Å; V161-S165 VanDerWaalsContact O-OG 3.06Å
162	V	97.3	Very high	96.1	Very high	79 Å²	79	61.4 Å²	61.4	48%	0.479	34%	0.336	S	S	.	.	H	α-helix	trans	-58.6	-47.6	177.4	173.1	0	0	0	0	111.2	V158 F159 S165 I166	V158-V162 WeakPolarHBondContact O-CG2 3.47Å; V158-V162 PolarHBondContact O-N 3.2Å; F159-V162 PolarHBondContact O-N 3.19Å; V162-S165 PolarHBondContact O-N 3.44Å; V162-I166 HydrophobicContact CG1-CD1 4.17Å; V162-I166 WeakPolarHBondContact O-CG1 3.47Å; V162-I166 PolarHBondContact O-N 2.64Å; V162-I166 VanDerWaalsContact O-N 3.12Å
163	F	97.6	Very high	96.3	Very high	89 Å²	89	58.5 Å²	58.5	39%	0.39	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-43.1	178.6	-178.3	-115.5	0	0	0	111.6	F99 F159 M160 V161 S165 I166 V167	F99-F163 AromaticContact CE1-CD1 3.74Å; F99-F163 HydrophobicContact CE1-CD1 3.74Å; F99-F163 HydrophobicContact CE1-CE1 4.21Å; F99-F163 AromaticContact CZ-CD1 3.82Å; F99-F163 HydrophobicContact CZ-CD1 3.82Å; F99-F163 AromaticContact CZ-CE1 3.96Å; F99-F163 HydrophobicContact CZ-CE1 3.96Å; F159-F163 HydrophobicContact CE1-CB 4.37Å; F159-F163 WeakPolarHBondContact O-CB 3.23Å; F159-F163 PolarHBondContact O-N 2.89Å; M160-F163 HydrophobicContact CE-CD1 4.08Å; V161-F163 PolarHBondContact O-N 3.25Å; F163-S165 PolarHBondContact O-N 3.2Å; F163-I166 PolarHBondContact O-N 2.91Å; F163-V167 HydrophobicContact CD1-CG2 4.44Å; F163-V167 HydrophobicContact CD2-CG2 4.33Å; F163-V167 HydrophobicContact CE1-CG2 4.04Å; F163-V167 HydrophobicContact CE2-CG2 3.93Å; F163-V167 HydrophobicContact CZ-CG2 3.76Å; F163-V167 WeakPolarHBondContact O-CG2 3.35Å; F163-V167 PolarHBondContact O-N 2.69Å
164	Q	97.9	Very high	96.3	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-43.4	176	-175	175.7	24	0	0	112.1	F99 S136 T139 Q140 M160 V161 I166 V167 G168	F99-Q164 HydrophobicContact CB-CG 4.36Å; F99-Q164 VanDerWaalsContact CB-NE2 3.33Å; F99-Q164 HydrophobicContact CD1-CB 3.68Å; F99-Q164 HydrophobicContact CD1-CG 3.86Å; F99-Q164 HydrophobicContact CD2-CB 4.33Å; F99-Q164 HydrophobicContact CD2-CG 3.72Å; F99-Q164 HydrophobicContact CE1-CB 3.51Å; F99-Q164 HydrophobicContact CE1-CG 4Å; F99-Q164 HydrophobicContact CE2-CB 4.22Å; F99-Q164 HydrophobicContact CE2-CG 3.9Å; F99-Q164 HydrophobicContact CG-CB 4.1Å; F99-Q164 HydrophobicContact CG-CG 3.72Å; F99-Q164 HydrophobicContact CZ-CB 3.83Å; F99-Q164 HydrophobicContact CZ-CG 4.05Å; S136-Q164 PolarHBondContact O-NE2 3.04Å; S136-Q164 PolarHBondContact OG-NE2 2.68Å; T139-Q164 VanDerWaalsContact CG2-OE1 3.25Å; Q140-Q164 HydrophobicContact CB-CG 4.13Å; Q140-Q164 HydrophobicContact CG-CG 4.31Å; M160-Q164 WeakPolarHBondContact O-CB 3.36Å; M160-Q164 PolarHBondContact O-N 3.26Å; V161-Q164 PolarHBondContact O-N 2.8Å; Q164-I166 VanDerWaalsContact C-N 3.34Å; Q164-I166 PolarHBondContact O-N 3.31Å; Q164-V167 PolarHBondContact O-N 2.82Å; Q164-G168 PolarHBondContact O-N 2.79Å
165	S	97	Very high	96.3	Very high	50 Å²	50	61.8 Å²	61.8	35%	0.35	34%	0.342	S	S	.	.	H	α-helix	trans	-60.1	-44.3	177	-60.3	0	0	0	0	111.5	V161 V162 F163 G168 C169	V161-S165 PolarHBondContact O-N 2.96Å; V161-S165 PolarHBondContact O-OG 3.42Å; V161-S165 VanDerWaalsContact O-OG 3.06Å; V162-S165 PolarHBondContact O-N 3.44Å; F163-S165 PolarHBondContact O-N 3.2Å; S165-G168 PolarHBondContact O-N 3.27Å; S165-C169 PolarHBondContact O-N 2.97Å; S165-C169 VanDerWaalsContact O-N 3.07Å; S165-C169 PolarHBondContact O-SG 3.24Å
166	I	97.7	Very high	96.3	Very high	95 Å²	95	62.4 Å²	62.4	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-47.3	176.7	-66.1	167.8	0	0	0	110.8	V162 F163 Q164 G168 C169 I170	V162-I166 HydrophobicContact CG1-CD1 4.17Å; V162-I166 WeakPolarHBondContact O-CG1 3.47Å; V162-I166 PolarHBondContact O-N 2.64Å; V162-I166 VanDerWaalsContact O-N 3.12Å; F163-I166 PolarHBondContact O-N 2.91Å; Q164-I166 VanDerWaalsContact C-N 3.34Å; Q164-I166 PolarHBondContact O-N 3.31Å; I166-G168 VanDerWaalsContact C-N 3.35Å; I166-G168 PolarHBondContact O-N 2.73Å; I166-C169 PolarHBondContact O-N 3.27Å; I166-I170 HydrophobicContact CG2-CD1 3.94Å; I166-I170 WeakPolarHBondContact O-CG1 3.19Å; I166-I170 PolarHBondContact O-N 3.43Å; I166-I170 VanDerWaalsContact O-N 3.08Å
167	V	96.6	Very high	96.2	Very high	33 Å²	33	59.4 Å²	59.4	20%	0.2	33%	0.332	C	S	.	.	H	α-helix	trans	-62.8	-41.3	179.2	171.4	0	0	0	0	111.4	F99 F163 Q164 I170 I171	F99-V167 HydrophobicContact CE2-CB 4.27Å; F99-V167 HydrophobicContact CE2-CG1 4.07Å; F99-V167 HydrophobicContact CZ-CB 4.2Å; F99-V167 HydrophobicContact CZ-CG1 4.4Å; F99-V167 HydrophobicContact CZ-CG2 4.26Å; F163-V167 HydrophobicContact CD1-CG2 4.44Å; F163-V167 HydrophobicContact CD2-CG2 4.33Å; F163-V167 HydrophobicContact CE1-CG2 4.04Å; F163-V167 HydrophobicContact CE2-CG2 3.93Å; F163-V167 HydrophobicContact CZ-CG2 3.76Å; F163-V167 WeakPolarHBondContact O-CG2 3.35Å; F163-V167 PolarHBondContact O-N 2.69Å; Q164-V167 PolarHBondContact O-N 2.82Å; V167-I170 PolarHBondContact O-N 2.61Å; V167-I171 HydrophobicContact CG1-CD1 3.86Å; V167-I171 HydrophobicContact CG1-CG1 4.43Å; V167-I171 WeakPolarHBondContact O-CG1 3.34Å; V167-I171 PolarHBondContact O-N 2.83Å
168	G	97	Very high	96.1	Very high	3 Å²	3	59.7 Å²	59.7	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-56.9	-51.4	175.2	0	0	0	0	0	111.9	Q164 S165 I166 I170 I171 D172	Q164-G168 PolarHBondContact O-N 2.79Å; S165-G168 PolarHBondContact O-N 3.27Å; I166-G168 VanDerWaalsContact C-N 3.35Å; I166-G168 PolarHBondContact O-N 2.73Å; G168-I170 VanDerWaalsContact C-N 3.29Å; G168-I170 PolarHBondContact O-N 3.3Å; G168-I171 PolarHBondContact O-N 3.39Å; G168-D172 PolarHBondContact O-N 2.93Å
169	C	97.1	Very high	96.1	Very high	88 Å²	88	58.4 Å²	58.4	60%	0.595	33%	0.327	S	S	*	.	H	α-helix	trans	-59.9	-37.3	177.4	-66.1	0	0	0	0	113.1	S165 I166 A173	S165-C169 PolarHBondContact O-N 2.97Å; S165-C169 VanDerWaalsContact O-N 3.07Å; S165-C169 PolarHBondContact O-SG 3.24Å; I166-C169 PolarHBondContact O-N 3.27Å; C169-A173 WeakPolarHBondContact O-CB 3.35Å; C169-A173 PolarHBondContact O-N 3.24Å
170	I	96.3	Very high	95.9	Very high	87 Å²	87	58.8 Å²	58.8	45%	0.446	33%	0.331	S	S	.	.	H	α-helix	trans	-64.8	-48.6	176.6	-69.5	167.5	0	0	0	110.3	I166 V167 G168 D172 A173 F174	I166-I170 HydrophobicContact CG2-CD1 3.94Å; I166-I170 WeakPolarHBondContact O-CG1 3.19Å; I166-I170 PolarHBondContact O-N 3.43Å; I166-I170 VanDerWaalsContact O-N 3.08Å; V167-I170 PolarHBondContact O-N 2.61Å; G168-I170 VanDerWaalsContact C-N 3.29Å; G168-I170 PolarHBondContact O-N 3.3Å; I170-D172 VanDerWaalsContact C-N 3.34Å; I170-D172 PolarHBondContact O-N 2.97Å; I170-A173 PolarHBondContact O-N 2.54Å; I170-F174 HydrophobicContact CG2-CD2 3.74Å; I170-F174 HydrophobicContact CG2-CE2 3.78Å; I170-F174 VanDerWaalsContact O-CD2 3.31Å; I170-F174 WeakPolarHBondContact O-CD2 3.36Å; I170-F174 PolarHBondContact O-N 2.83Å
171	I	95.2	Very high	95.7	Very high	33 Å²	33	59.3 Å²	59.3	17%	0.169	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-46.7	179.2	-67.7	169.7	0	0	0	110.3	F92 V167 G168 A173 F174 I175	F92-I171 HydrophobicContact CD1-CG2 4.18Å; F92-I171 HydrophobicContact CE1-CG2 3.83Å; F92-I171 HydrophobicContact CZ-CG2 4.25Å; V167-I171 HydrophobicContact CG1-CD1 3.86Å; V167-I171 HydrophobicContact CG1-CG1 4.43Å; V167-I171 WeakPolarHBondContact O-CG1 3.34Å; V167-I171 PolarHBondContact O-N 2.83Å; G168-I171 PolarHBondContact O-N 3.39Å; I171-A173 PolarHBondContact O-N 2.85Å; I171-F174 PolarHBondContact O-N 3.18Å; I171-I175 HydrophobicContact CG2-CD1 3.72Å; I171-I175 HydrophobicContact CG2-CG1 4.45Å; I171-I175 WeakPolarHBondContact O-CG1 3.5Å; I171-I175 PolarHBondContact O-N 2.83Å
172	D	95.9	Very high	95.5	Very high	62 Å²	62	59.1 Å²	59.1	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-59.7	-45.5	178.3	-71	-19.8	0	0	0	111.8	F92 G168 I170 F174 I175 I176	F92-D172 VanDerWaalsContact CE1-OD1 3.23Å; F92-D172 WeakPolarHBondContact CE1-OD1 3.49Å; F92-D172 WeakPolarHBondContact CZ-OD1 3.18Å; G168-D172 PolarHBondContact O-N 2.93Å; I170-D172 VanDerWaalsContact C-N 3.34Å; I170-D172 PolarHBondContact O-N 2.97Å; D172-F174 PolarHBondContact O-N 3.18Å; D172-I175 PolarHBondContact O-N 3.42Å; D172-I176 WeakPolarHBondContact O-CB 3.33Å; D172-I176 VanDerWaalsContact O-CG1 3.31Å; D172-I176 WeakPolarHBondContact O-CG1 3.29Å; D172-I176 PolarHBondContact O-N 2.79Å
173	A	95.4	Very high	95.3	Very high	64 Å²	64	61.6 Å²	61.6	53%	0.529	34%	0.344	S	S	.	.	H	α-helix	trans	-61.2	-42.5	178	0	0	0	0	0	112.3	C169 I170 I171 G177	C169-A173 WeakPolarHBondContact O-CB 3.35Å; C169-A173 PolarHBondContact O-N 3.24Å; I170-A173 PolarHBondContact O-N 2.54Å; I171-A173 PolarHBondContact O-N 2.85Å; A173-G177 PolarHBondContact O-N 3.12Å
174	F	92.7	Very high	94.9	Very high	148 Å²	148	58.9 Å²	58.9	65%	0.649	34%	0.338	S	S	*	.	H	α-helix	trans	-62.4	-44.5	175.6	-92.6	-76.4	0	0	0	112.1	I170 I171 D172 G177 A178	I170-F174 HydrophobicContact CG2-CD2 3.74Å; I170-F174 HydrophobicContact CG2-CE2 3.78Å; I170-F174 VanDerWaalsContact O-CD2 3.31Å; I170-F174 WeakPolarHBondContact O-CD2 3.36Å; I170-F174 PolarHBondContact O-N 2.83Å; I171-F174 PolarHBondContact O-N 3.18Å; D172-F174 PolarHBondContact O-N 3.18Å; F174-G177 PolarHBondContact O-N 3.13Å; F174-A178 VanDerWaalsContact O-CB 3.29Å; F174-A178 WeakPolarHBondContact O-CB 3.31Å; F174-A178 PolarHBondContact O-N 2.89Å
175	I	93.9	Very high	94.4	Very high	26 Å²	26	61.9 Å²	61.9	13%	0.133	35%	0.351	C	S	.	.	H	α-helix	trans	-65.2	-49.8	-179.2	-68.8	172.5	0	0	0	110.4	F88 F92 I171 D172 G177 A178 V179	F88-I175 HydrophobicContact CB-CD1 4.04Å; F88-I175 HydrophobicContact CB-CG1 4.32Å; F88-I175 HydrophobicContact CD1-CD1 4.22Å; F88-I175 HydrophobicContact CD1-CG1 3.65Å; F88-I175 HydrophobicContact CD2-CG1 4.39Å; F88-I175 HydrophobicContact CD2-CG2 3.84Å; F88-I175 HydrophobicContact CE1-CG1 3.97Å; F88-I175 HydrophobicContact CE2-CG2 4.01Å; F88-I175 HydrophobicContact CG-CD1 4.17Å; F88-I175 HydrophobicContact CG-CG1 3.88Å; F88-I175 HydrophobicContact CG-CG2 4.14Å; F88-I175 HydrophobicContact CZ-CG1 4.46Å; F88-I175 HydrophobicContact CZ-CG2 4.47Å; F92-I175 HydrophobicContact CD2-CD1 3.98Å; F92-I175 HydrophobicContact CE1-CD1 4.25Å; F92-I175 HydrophobicContact CE2-CD1 3.24Å; F92-I175 HydrophobicContact CZ-CD1 3.4Å; I171-I175 HydrophobicContact CG2-CD1 3.72Å; I171-I175 HydrophobicContact CG2-CG1 4.45Å; I171-I175 WeakPolarHBondContact O-CG1 3.5Å; I171-I175 PolarHBondContact O-N 2.83Å; D172-I175 PolarHBondContact O-N 3.42Å; I175-G177 VanDerWaalsContact C-N 3.32Å; I175-G177 PolarHBondContact O-N 3.35Å; I175-A178 PolarHBondContact O-N 2.69Å; I175-V179 HydrophobicContact CG2-CG2 4.23Å; I175-V179 WeakPolarHBondContact O-CB 3.16Å; I175-V179 VanDerWaalsContact O-CG2 3.25Å; I175-V179 WeakPolarHBondContact O-CG2 3.44Å; I175-V179 PolarHBondContact O-N 2.78Å
176	I	95.4	Very high	93.7	Very high	120 Å²	120	60.7 Å²	60.7	62%	0.615	34%	0.342	S	S	*	.	H	α-helix	trans	-58.9	-46.1	178.4	-67.8	168.3	0	0	0	110.2	D172 V179 M180	D172-I176 WeakPolarHBondContact O-CB 3.33Å; D172-I176 VanDerWaalsContact O-CG1 3.31Å; D172-I176 WeakPolarHBondContact O-CG1 3.29Å; D172-I176 PolarHBondContact O-N 2.79Å; I176-V179 PolarHBondContact O-N 3.14Å; I176-M180 VanDerWaalsContact O-CB 3.27Å; I176-M180 WeakPolarHBondContact O-CB 3.49Å; I176-M180 PolarHBondContact O-N 3.25Å
177	G	94.5	Very high	92.7	Very high	36 Å²	36	60 Å²	60	37%	0.371	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-46.7	178	0	0	0	0	0	112.9	A173 F174 I175 A181	A173-G177 PolarHBondContact O-N 3.12Å; F174-G177 PolarHBondContact O-N 3.13Å; I175-G177 VanDerWaalsContact C-N 3.32Å; I175-G177 PolarHBondContact O-N 3.35Å; G177-A181 WeakPolarHBondContact O-CB 3.26Å; G177-A181 PolarHBondContact O-N 3.27Å
178	A	93.7	Very high	91.9	Very high	6 Å²	6	64.9 Å²	64.9	5%	0.05	35%	0.354	C	S	.	.	H	α-helix	trans	-67.4	-41.8	179	0	0	0	0	0	112.4	F73 M84 F88 F174 I175 A181 K182	F73-A178 HydrophobicContact CE2-CB 4.49Å; M84-A178 VanDerWaalsContact CE-C 3.42Å; M84-A178 HydrophobicContact CE-CB 3.74Å; M84-A178 WeakPolarHBondContact CE-O 3.43Å; F88-A178 HydrophobicContact CE1-CB 4.48Å; F88-A178 HydrophobicContact CZ-CB 3.76Å; F174-A178 VanDerWaalsContact O-CB 3.29Å; F174-A178 WeakPolarHBondContact O-CB 3.31Å; F174-A178 PolarHBondContact O-N 2.89Å; I175-A178 PolarHBondContact O-N 2.69Å; A178-A181 PolarHBondContact O-N 2.9Å; A178-K182 WeakPolarHBondContact O-CB 3.44Å; A178-K182 PolarHBondContact O-N 3.49Å
179	V	94.9	Very high	91.3	Very high	39 Å²	39	65.4 Å²	65.4	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-47.2	176.2	170.9	0	0	0	0	110.4	W81 M84 F88 I175 I176 A181 K182 M183	W81-V179 HydrophobicContact CH2-CG1 4.31Å; W81-V179 HydrophobicContact CZ3-CG1 4.43Å; M84-V179 HydrophobicContact CE-CG2 4.16Å; F88-V179 HydrophobicContact CD2-CG2 4.4Å; F88-V179 HydrophobicContact CE2-CG2 3.68Å; I175-V179 HydrophobicContact CG2-CG2 4.23Å; I175-V179 WeakPolarHBondContact O-CB 3.16Å; I175-V179 VanDerWaalsContact O-CG2 3.25Å; I175-V179 WeakPolarHBondContact O-CG2 3.44Å; I175-V179 PolarHBondContact O-N 2.78Å; I176-V179 PolarHBondContact O-N 3.14Å; V179-A181 PolarHBondContact O-N 2.92Å; V179-K182 PolarHBondContact O-N 3Å; V179-M183 HydrophobicContact CG1-CG 4.35Å; V179-M183 HydrophobicContact CG1-SD 3.89Å; V179-M183 WeakPolarHBondContact O-CG 3.44Å; V179-M183 PolarHBondContact O-N 3.2Å
180	M	93.8	Very high	90.5	Very high	127 Å²	127	63.2 Å²	63.2	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-61.5	-45.4	178.5	-174.3	59.6	-172.7	0	0	111.4	I176 K182 M183 A184	I176-M180 VanDerWaalsContact O-CB 3.27Å; I176-M180 WeakPolarHBondContact O-CB 3.49Å; I176-M180 PolarHBondContact O-N 3.25Å; M180-K182 VanDerWaalsContact C-N 3.31Å; M180-K182 PolarHBondContact O-N 2.75Å; M180-M183 PolarHBondContact O-N 2.71Å; M180-A184 WeakPolarHBondContact O-CB 3.47Å; M180-A184 PolarHBondContact O-N 3.16Å
181	A	92.8	Very high	90	Very high	32 Å²	32	64.9 Å²	64.9	26%	0.264	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-40.6	175.5	0	0	0	0	0	112.1	F73 V77 G177 A178 V179 A184 K185	F73-A181 HydrophobicContact CE1-CB 4.44Å; F73-A181 HydrophobicContact CZ-CB 3.78Å; V77-A181 HydrophobicContact CG1-CB 4.33Å; V77-A181 HydrophobicContact CG2-CB 4.18Å; G177-A181 WeakPolarHBondContact O-CB 3.26Å; G177-A181 PolarHBondContact O-N 3.27Å; A178-A181 PolarHBondContact O-N 2.9Å; V179-A181 PolarHBondContact O-N 2.92Å; A181-A184 PolarHBondContact O-N 3.12Å; A181-K185 PolarHBondContact O-N 2.65Å
182	K	93.6	Very high	89.9	Confident	25 Å²	25	64.3 Å²	64.3	11%	0.109	34%	0.341	C	S	.	.	H	α-helix	trans	-69	-39.3	177.7	-168.6	172.2	-175.4	60.7	0	112.7	V77 I79 W81 M84 A178 V179 M180 A184 K185	V77-K182 HydrophobicContact CG1-CB 3.86Å; V77-K182 HydrophobicContact CG1-CG 4.31Å; V77-K182 PolarHBondContact O-NZ 3Å; I79-K182 WeakPolarHBondContact O-CE 3.39Å; I79-K182 PolarHBondContact O-NZ 3.31Å; W81-K182 HydrophobicContact CD2-CD 3.87Å; W81-K182 HydrophobicContact CE3-CD 4.07Å; W81-K182 HydrophobicContact CG-CD 4.5Å; W81-K182 HydrophobicContact CH2-CB 4.14Å; W81-K182 HydrophobicContact CH2-CD 3.98Å; W81-K182 HydrophobicContact CH2-CG 4.09Å; W81-K182 HydrophobicContact CZ2-CB 4.15Å; W81-K182 HydrophobicContact CZ2-CD 3.78Å; W81-K182 HydrophobicContact CZ2-CG 3.69Å; W81-K182 HydrophobicContact CZ3-CD 4.12Å; M84-K182 HydrophobicContact CE-CB 4.12Å; M84-K182 HydrophobicContact CE-CD 4.01Å; M84-K182 HydrophobicContact SD-CB 4.4Å; M84-K182 HydrophobicContact SD-CD 3.25Å; M84-K182 WeakPolarHBondContact SD-CD 3.22Å; M84-K182 HydrophobicContact SD-CG 4.45Å; A178-K182 WeakPolarHBondContact O-CB 3.44Å; A178-K182 PolarHBondContact O-N 3.49Å; V179-K182 PolarHBondContact O-N 3Å; M180-K182 VanDerWaalsContact C-N 3.31Å; M180-K182 PolarHBondContact O-N 2.75Å; K182-A184 VanDerWaalsContact C-N 3.3Å; K182-K185 PolarHBondContact O-N 2.9Å
183	M	91.5	Very high	89.8	Confident	131 Å²	131	61.8 Å²	61.8	65%	0.645	33%	0.328	S	S	*	.	H	α-helix	trans	-65.9	-34.8	176.4	-72.3	179.6	65.3	0	0	112.1	W81 V179 M180 K185	W81-M183 HydrophobicContact CH2-CG 3.75Å; W81-M183 HydrophobicContact CZ2-CG 4Å; V179-M183 HydrophobicContact CG1-CG 4.35Å; V179-M183 HydrophobicContact CG1-SD 3.89Å; V179-M183 WeakPolarHBondContact O-CG 3.44Å; V179-M183 PolarHBondContact O-N 3.2Å; M180-M183 PolarHBondContact O-N 2.71Å; M183-K185 VanDerWaalsContact C-N 3.31Å; M183-K185 PolarHBondContact O-N 3.26Å
184	A	90	Very high	89.8	Confident	31 Å²	31	60.3 Å²	60.3	26%	0.256	31%	0.312	S	S	.	.	H	α-helix	trans	-72.5	-21	179	0	0	0	0	0	113.5	M180 A181 K182 M307	M180-A184 WeakPolarHBondContact O-CB 3.47Å; M180-A184 PolarHBondContact O-N 3.16Å; A181-A184 PolarHBondContact O-N 3.12Å; K182-A184 VanDerWaalsContact C-N 3.3Å; A184-M307 HydrophobicContact CB-SD 3.78Å
185	K	86.6	Confident	90	Very high	64 Å²	64	54.1 Å²	54.1	28%	0.278	29%	0.285	S	S	.	.			trans	-55.3	124.7	-176.9	-81.9	-169.4	167.9	175.1	0	111.7	V77 D78 A181 K182 M183 K187	V77-K185 HydrophobicContact CG1-CD 3.77Å; V77-K185 HydrophobicContact CG1-CG 4.34Å; D78-K185 IonicContact OD1-NZ 2.92Å; D78-K185 PolarHBondContact OD1-NZ 2.89Å; D78-K185 IonicContact OD2-NZ 3.83Å; D78-K185 PolarHBondContact OD2-NZ 3.21Å; A181-K185 PolarHBondContact O-N 2.65Å; K182-K185 PolarHBondContact O-N 2.9Å; M183-K185 VanDerWaalsContact C-N 3.31Å; M183-K185 PolarHBondContact O-N 3.26Å; K185-K187 PolarHBondContact O-N 3.13Å
186	P	83.2	Confident	90.2	Very high	24 Å²	24	53 Å²	53	16%	0.156	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	15	-173.2	31.8	-37	0	0	0	114.2	K188 R189 V302 M307 T308 T309	P186-K188 PolarHBondContact O-N 3.25Å; P186-K188 VanDerWaalsContact O-N 3.14Å; P186-R189 HydrophobicContact CB-CB 4.45Å; P186-R189 WeakPolarHBondContact O-CA 3.46Å; P186-R189 WeakPolarHBondContact O-CB 3.17Å; P186-R189 PolarHBondContact O-N 2.89Å; P186-V302 HydrophobicContact CB-CG2 3.65Å; P186-M307 HydrophobicContact CG-CB 4.14Å; P186-T308 WeakPolarHBondContact CG-O 3.34Å; P186-T309 PolarHBondContact O-OG1 3.26Å
187	K	77.1	Confident	90.3	Very high	82 Å²	82	52.4 Å²	52.4	36%	0.357	27%	0.274	S	S	.	.	H	α-helix	trans	-56.4	-36.8	-175.6	-174.4	169.6	178.3	169.4	0	113.1	E16 K185 R189 N190	E16-K187 IonicContact OE1-NZ 3.12Å; E16-K187 PolarHBondContact OE1-NZ 2.84Å; E16-K187 IonicContact OE2-NZ 3.66Å; E16-K187 PolarHBondContact OE2-NZ 3.47Å; K185-K187 PolarHBondContact O-N 3.13Å; K187-R189 VanDerWaalsContact C-N 3.27Å; K187-R189 PolarHBondContact O-N 3.22Å; K187-N190 WeakPolarHBondContact O-CB 3.42Å; K187-N190 PolarHBondContact O-N 2.92Å
188	K	78.8	Confident	90.4	Very high	135 Å²	135	53.2 Å²	53.2	59%	0.587	27%	0.27	S	S	*	.	H	α-helix	trans	-73	-16.9	176.2	-69	-59.5	-173.6	-177.4	0	114	P186 E191	P186-K188 PolarHBondContact O-N 3.25Å; P186-K188 VanDerWaalsContact O-N 3.14Å; K188-E191 WeakPolarHBondContact CD-OE2 3.31Å; K188-E191 VanDerWaalsContact NZ-CD 3.33Å; K188-E191 IonicContact NZ-OE1 3.8Å; K188-E191 PolarHBondContact NZ-OE1 3.37Å; K188-E191 IonicContact NZ-OE2 2.9Å; K188-E191 PolarHBondContact NZ-OE2 3.45Å; K188-E191 VanDerWaalsContact NZ-OE2 3.08Å
189	R	84.7	Confident	90.7	Very high	13 Å²	13	53 Å²	53	5%	0.049	27%	0.267	C	S	.	.	H	α-helix	trans	-70.6	-37.4	172	-170.6	69.5	167.6	115.8	-2.7	111.3	P186 K187 E191 T192 N216 S220 H221 V302 T309	P186-R189 HydrophobicContact CB-CB 4.45Å; P186-R189 WeakPolarHBondContact O-CA 3.46Å; P186-R189 WeakPolarHBondContact O-CB 3.17Å; P186-R189 PolarHBondContact O-N 2.89Å; K187-R189 VanDerWaalsContact C-N 3.27Å; K187-R189 PolarHBondContact O-N 3.22Å; R189-E191 PolarHBondContact O-N 3.14Å; R189-T192 PolarHBondContact NH1-OG1 2.93Å; R189-T192 WeakPolarHBondContact O-CA 3.41Å; R189-T192 PolarHBondContact O-N 2.84Å; R189-T192 PolarHBondContact O-OG1 2.71Å; R189-N216 PolarHBondContact NH1-OD1 3.19Å; R189-N216 PolarHBondContact NH2-OD1 2.98Å; R189-S220 PolarHBondContact NH2-O 3.17Å; R189-S220 PolarHBondContact NH2-OG 3.29Å; R189-H221 PolarHBondContact NH2-O 3.44Å; R189-H221 VanDerWaalsContact NH2-O 3.12Å; R189-V302 HydrophobicContact CB-CG2 3.97Å; R189-V302 HydrophobicContact CG-CG1 4.49Å; R189-V302 HydrophobicContact CG-CG2 3.75Å; R189-T309 HydrophobicContact CG-CG2 4.29Å
190	N	81.3	Confident	90.8	Very high	42 Å²	42	51.1 Å²	51.1	23%	0.225	26%	0.256	C	S	.	.	H	α-helix	trans	-56.3	-37.2	178.3	-75	-10.5	0	0	0	112.6	K187 T192 L193 T309 Q310	K187-N190 WeakPolarHBondContact O-CB 3.42Å; K187-N190 PolarHBondContact O-N 2.92Å; N190-T192 PolarHBondContact O-N 3.47Å; N190-T192 VanDerWaalsContact O-N 3.12Å; N190-L193 PolarHBondContact O-N 3.39Å; N190-L193 VanDerWaalsContact O-N 3.13Å; N190-T309 PolarHBondContact OD1-OG1 2.83Å; N190-Q310 PolarHBondContact ND2-O 3.07Å; N190-Q310 PolarHBondContact OD1-O 2.82Å
191	E	86.1	Confident	91	Very high	123 Å²	123	45.1 Å²	45.1	58%	0.575	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.8	176.4	-64.8	173.4	-171.7	0	0	113.1	K188 R189	K188-E191 WeakPolarHBondContact CD-OE2 3.31Å; K188-E191 VanDerWaalsContact NZ-CD 3.33Å; K188-E191 IonicContact NZ-OE1 3.8Å; K188-E191 PolarHBondContact NZ-OE1 3.37Å; K188-E191 IonicContact NZ-OE2 2.9Å; K188-E191 PolarHBondContact NZ-OE2 3.45Å; K188-E191 VanDerWaalsContact NZ-OE2 3.08Å; R189-E191 PolarHBondContact O-N 3.14Å
192	T	91.7	Very high	91.2	Very high	21 Å²	21	43.6 Å²	43.6	13%	0.129	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	2.4	178.8	64.4	0	0	0	0	114.3	R189 N190 L217 R218	R189-T192 PolarHBondContact NH1-OG1 2.93Å; R189-T192 WeakPolarHBondContact O-CA 3.41Å; R189-T192 PolarHBondContact O-N 2.84Å; R189-T192 PolarHBondContact O-OG1 2.71Å; N190-T192 PolarHBondContact O-N 3.47Å; N190-T192 VanDerWaalsContact O-N 3.12Å; T192-L217 WeakPolarHBondContact O-CB 3.09Å; T192-L217 WeakPolarHBondContact O-CG 3.32Å; T192-L217 PolarHBondContact O-N 3.44Å; T192-R218 HydrophobicContact CG2-CG 4.11Å
193	L	94.4	Very high	91.3	Very high	9 Å²	9	44.9 Å²	44.9	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.3	170.2	-64.1	175.6	0	0	0	107.6	N190 G215 N216 L222 L263 L298 T309 C311	N190-L193 PolarHBondContact O-N 3.39Å; N190-L193 VanDerWaalsContact O-N 3.13Å; L193-G215 WeakPolarHBondContact CA-O 3.42Å; L193-N216 HydrophobicContact CD2-CB 4.2Å; L193-L222 HydrophobicContact CD1-CD1 4.36Å; L193-L222 HydrophobicContact CD1-CD2 3.97Å; L193-L222 HydrophobicContact CD2-CD2 4.24Å; L193-L263 HydrophobicContact CD2-CD2 4.41Å; L193-L298 HydrophobicContact CB-CD2 4.37Å; L193-L298 HydrophobicContact CD1-CD2 4.09Å; L193-L298 HydrophobicContact CD2-CD2 4.29Å; L193-L298 HydrophobicContact CG-CD2 4.48Å; L193-T309 HydrophobicContact CD1-CG2 4.18Å; L193-C311 HydrophobicContact CB-CB 4.08Å; L193-C311 HydrophobicContact CD1-CB 4.04Å
194	V	95.4	Very high	91.5	Very high	33 Å²	33	42.4 Å²	42.4	20%	0.2	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	143.1	-172.7	-68.2	0	0	0	0	111.6	V214 G215 L217 Y341 F344	V194-V214 CarbonylContact O-C 3.45Å; V194-V214 WeakPolarHBondContact O-CA 3.39Å; V194-G215 WeakPolarHBondContact CG2-O 3.46Å; V194-G215 PolarHBondContact N-O 2.77Å; V194-G215 PolarHBondContact O-N 3.25Å; V194-L217 HydrophobicContact CG1-CD1 3.66Å; V194-L217 HydrophobicContact CG1-CD2 4.33Å; V194-L217 HydrophobicContact CG1-CG 3.94Å; V194-L217 HydrophobicContact CG2-CD2 3.93Å; V194-L217 HydrophobicContact CG2-CG 4.15Å; V194-Y341 HydrophobicContact CG2-CE1 4.39Å; V194-F344 HydrophobicContact CB-CE1 4.45Å; V194-F344 HydrophobicContact CB-CZ 4.44Å; V194-F344 HydrophobicContact CG2-CE1 4.05Å; V194-F344 HydrophobicContact CG2-CE2 4.08Å; V194-F344 HydrophobicContact CG2-CZ 3.72Å
195	F	97.6	Very high	91.7	Very high	18 Å²	18	48.1 Å²	48.1	8%	0.079	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151.8	171.6	-69.6	-89.9	0	0	0	110.2	R213 V214 V296 L298 C311 H345	F195-R213 CarbonylContact C-O 3.52Å; F195-R213 VanDerWaalsContact CA-O 3.31Å; F195-R213 WeakPolarHBondContact CA-O 3.41Å; F195-V214 HydrophobicContact CD1-CG1 3.62Å; F195-V214 HydrophobicContact CE1-CG1 3.53Å; F195-V214 HydrophobicContact CZ-CG1 4.43Å; F195-V296 HydrophobicContact CD1-CB 4.47Å; F195-V296 HydrophobicContact CD1-CG2 3.55Å; F195-V296 HydrophobicContact CE1-CB 4.08Å; F195-V296 HydrophobicContact CE1-CG2 3.52Å; F195-V296 HydrophobicContact CG-CG2 4.29Å; F195-V296 HydrophobicContact CZ-CG2 4.22Å; F195-L298 HydrophobicContact CE1-CB 4.33Å; F195-L298 HydrophobicContact CZ-CB 3.69Å; F195-C311 HydrophobicContact CE2-CB 4.06Å; F195-H345 PolarHBondContact O-CE1 3.37Å
196	S	97.7	Very high	91.9	Very high	1 Å²	1	48 Å²	48	1%	0.007	25%	0.248	C	C	.	.			trans	-59.1	149.7	170	48.7	0	0	0	0	110.4	N198 R213 Y315 Y326	S196-N198 VanDerWaalsContact C-N 3.33Å; S196-N198 WeakPolarHBondContact CB-O 3.47Å; S196-N198 PolarHBondContact OG-O 3.33Å; S196-R213 PolarHBondContact N-O 3.48Å; S196-R213 PolarHBondContact OG-N 2.96Å; S196-Y315 VanDerWaalsContact O-CE1 3.23Å; S196-Y315 WeakPolarHBondContact O-CE1 3.26Å; S196-Y315 PolarHBondContact O-OH 3.35Å; S196-Y315 PolarHBondContact OG-OH 2.88Å; S196-Y315 VanDerWaalsContact OG-OH 3.11Å; S196-Y326 PolarHBondContact OG-OH 3.48Å
197	H	96.9	Very high	92.5	Very high	109 Å²	109	51.5 Å²	51.5	51%	0.505	26%	0.261	S	S	.	.	S	Bend	trans	-69.5	-36.7	178.9	-75.2	-43.5	0	0	0	111.5	K50 Y315 H345	K50-H197 VanDerWaalsContact CE-O 3.27Å; K50-H197 WeakPolarHBondContact CE-O 3.49Å; K50-H197 PolarHBondContact NZ-O 2.77Å; H197-Y315 WeakPolarHBondContact O-CE1 3.43Å; H197-H345 AromaticContact CD2-CD2 3.99Å; H197-H345 AromaticContact CD2-CE1 3.71Å; H197-H345 AromaticContact CD2-CG 3.41Å; H197-H345 VanDerWaalsContact CD2-CG 3.41Å; H197-H345 AromaticContact CD2-ND1 3.2Å; H197-H345 PolarHBondContact CD2-ND1 3.27Å; H197-H345 AromaticContact CE1-CE1 3.87Å; H197-H345 AromaticContact CG-ND1 3.45Å; H197-H345 PolarHBondContact N-ND1 2.94Å; H197-H345 AromaticContact ND1-ND1 3.97Å; H197-H345 AromaticContact NE2-CE1 3.6Å; H197-H345 AromaticContact NE2-CG 3.9Å; H197-H345 AromaticContact NE2-ND1 3.61Å; H197-H345 AromaticContact NE2-NE2 3.9Å
198	N	97.9	Very high	93.4	Very high	53 Å²	53	47.9 Å²	47.9	28%	0.283	25%	0.246	S	C	.	.	S	Bend	trans	-117.6	152	178.6	-56.3	-17.2	0	0	0	108.8	S196 Y315 E319 L321 Y326	S196-N198 VanDerWaalsContact C-N 3.33Å; S196-N198 WeakPolarHBondContact CB-O 3.47Å; S196-N198 PolarHBondContact OG-O 3.33Å; N198-Y315 VanDerWaalsContact C-CE1 3.45Å; N198-E319 VanDerWaalsContact CA-O 3.28Å; N198-E319 WeakPolarHBondContact CA-O 3.49Å; N198-E319 WeakPolarHBondContact CB-O 3.41Å; N198-L321 HydrophobicContact CB-CD1 4.02Å; N198-L321 HydrophobicContact CB-CG 4.08Å; N198-L321 WeakPolarHBondContact ND2-CD1 3.48Å; N198-Y326 PolarHBondContact O-OH 3.1Å
199	A	98.2	Very high	94.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	161	161.1	0	0	0	0	0	108.5	L210 M211 W212 Y315 E319 I320 L321 Y326	A199-L210 HydrophobicContact CB-CD1 4.01Å; A199-M211 CarbonylContact C-O 3.49Å; A199-M211 WeakPolarHBondContact CA-O 3.4Å; A199-W212 HydrophobicContact CB-CB 4.41Å; A199-Y315 HydrophobicContact CB-CD1 3.9Å; A199-Y315 HydrophobicContact CB-CD2 3.96Å; A199-Y315 HydrophobicContact CB-CE1 4.24Å; A199-Y315 HydrophobicContact CB-CE2 4.26Å; A199-Y315 HydrophobicContact CB-CG 3.77Å; A199-E319 PolarHBondContact N-O 3.11Å; A199-I320 HydrophobicContact CB-CG1 4.27Å; A199-I320 CarbonylContact O-C 3.59Å; A199-I320 WeakPolarHBondContact O-CA 3.23Å; A199-L321 PolarHBondContact O-N 2.9Å; A199-Y326 WeakPolarHBondContact CA-OH 3.28Å
200	V	98	Very high	94.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.9	179.3	-55.6	0	0	0	0	110.8	L210 M211 L321 H324 Y326 T347	V200-L210 CarbonylContact O-C 3.55Å; V200-M211 HydrophobicContact CG2-CB 3.86Å; V200-M211 HydrophobicContact CG2-SD 4.48Å; V200-M211 PolarHBondContact N-O 3.19Å; V200-M211 PolarHBondContact O-N 2.94Å; V200-L321 VanDerWaalsContact CA-O 3.29Å; V200-L321 WeakPolarHBondContact CA-O 3.28Å; V200-L321 HydrophobicContact CG1-CB 4.3Å; V200-H324 HydrophobicContact CB-CB 4.07Å; V200-H324 WeakPolarHBondContact CB-O 3.39Å; V200-H324 HydrophobicContact CG1-CB 3.75Å; V200-H324 WeakPolarHBondContact CG2-O 3.49Å; V200-Y326 HydrophobicContact CG1-CE1 4.29Å; V200-Y326 HydrophobicContact CG1-CE2 4.33Å; V200-Y326 HydrophobicContact CG2-CD2 4.02Å; V200-Y326 HydrophobicContact CG2-CE2 3.62Å; V200-T347 HydrophobicContact CG1-CG2 3.74Å
201	I	97.6	Very high	95.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.8	170.1	-67.2	170.9	0	0	0	108.2	L208 C209 L210 I273 I287 I320 L321 W322 G323	I201-L208 HydrophobicContact CG2-CD1 3.79Å; I201-L208 HydrophobicContact CG2-CD2 4.2Å; I201-L208 HydrophobicContact CG2-CG 3.89Å; I201-C209 WeakPolarHBondContact CA-O 3.4Å; I201-L210 HydrophobicContact CD1-CD1 4.27Å; I201-L210 HydrophobicContact CG1-CB 4.33Å; I201-L210 HydrophobicContact CG1-CD1 3.73Å; I201-I273 HydrophobicContact CD1-CD1 4.46Å; I201-I273 HydrophobicContact CG2-CD1 4.3Å; I201-I287 HydrophobicContact CD1-CD1 3.31Å; I201-I320 HydrophobicContact CD1-CG2 3.63Å; I201-I320 HydrophobicContact CG1-CG2 3.77Å; I201-L321 PolarHBondContact N-O 3.08Å; I201-W322 HydrophobicContact CB-CD2 4.24Å; I201-W322 HydrophobicContact CB-CE3 4.01Å; I201-W322 HydrophobicContact CB-CZ3 4.45Å; I201-W322 HydrophobicContact CD1-CE3 3.66Å; I201-W322 HydrophobicContact CD1-CZ3 3.72Å; I201-W322 HydrophobicContact CG1-CE3 4.44Å; I201-W322 HydrophobicContact CG2-CD2 4Å; I201-W322 HydrophobicContact CG2-CE3 3.85Å; I201-W322 HydrophobicContact CG2-CH2 4.11Å; I201-W322 HydrophobicContact CG2-CZ2 4.22Å; I201-W322 HydrophobicContact CG2-CZ3 3.91Å; I201-G323 WeakPolarHBondContact O-CA 3.27Å; I201-G323 PolarHBondContact O-N 2.73Å
202	A	97	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	164.6	177.9	0	0	0	0	0	111.7	C209 M211 H324 R325	A202-C209 PolarHBondContact N-O 3.41Å; A202-C209 VanDerWaalsContact N-O 3.13Å; A202-C209 PolarHBondContact O-N 2.96Å; A202-M211 HydrophobicContact CB-CE 3.97Å; A202-M211 WeakPolarHBondContact O-CE 3.36Å; A202-H324 WeakPolarHBondContact CB-O 3.28Å; A202-R325 HydrophobicContact CB-CG 3.85Å
203	M	96.6	Very high	96.6	Very high	53 Å²	53	33 Å²	33	26%	0.261	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.3	172.3	-64.1	-60.8	-68.7	0	0	110.8	G206 K207 L208 T353 P354 L361	M203-G206 VanDerWaalsContact CE-C 3.45Å; M203-G206 VanDerWaalsContact CE-O 3.31Å; M203-G206 WeakPolarHBondContact CE-O 3.48Å; M203-K207 CarbonylContact C-O 3.57Å; M203-K207 WeakPolarHBondContact CA-O 3.36Å; M203-L208 HydrophobicContact CG-CD1 4.45Å; M203-L208 HydrophobicContact SD-CB 3.97Å; M203-L208 HydrophobicContact SD-CD1 3.67Å; M203-L208 HydrophobicContact SD-CG 4.46Å; M203-T353 HydrophobicContact CG-CG2 4.4Å; M203-P354 VanDerWaalsContact CG-CD 3.42Å; M203-P354 HydrophobicContact CG-CG 4.2Å; M203-P354 HydrophobicContact SD-CG 4.13Å; M203-L361 HydrophobicContact CE-CD2 3.79Å; M203-L361 HydrophobicContact SD-CD2 3.91Å
204	R	95	Very high	96.7	Very high	78 Å²	78	32.5 Å²	32.5	29%	0.294	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	127.8	170	-177.7	174.2	-66.5	-171	1.8	108.5	G206 K207 M211	R204-G206 PolarHBondContact O-N 2.8Å; R204-G206 VanDerWaalsContact O-N 3.13Å; R204-K207 PolarHBondContact N-O 3.04Å; R204-K207 PolarHBondContact O-N 3.31Å; R204-K207 VanDerWaalsContact O-O 3.11Å; R204-M211 HydrophobicContact CB-CE 4Å; R204-M211 VanDerWaalsContact CZ-SD 3.58Å; R204-M211 PolarHBondContact NH2-SD 3.47Å
205	D	93.7	Very high	96.8	Very high	151 Å²	151	31 Å²	31	81%	0.807	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.6	179	-51	-37.6	0	0	0	113.7	K207	D205-K207 VanDerWaalsContact C-N 3.26Å; D205-K207 PolarHBondContact O-N 3.21Å
206	G	91.8	Very high	96.6	Very high	63 Å²	63	30.5 Å²	30.5	65%	0.649	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.6	2.7	179.3	0	0	0	0	0	115.4	M203 R204	M203-G206 VanDerWaalsContact CE-C 3.45Å; M203-G206 VanDerWaalsContact CE-O 3.31Å; M203-G206 WeakPolarHBondContact CE-O 3.48Å; R204-G206 PolarHBondContact O-N 2.8Å; R204-G206 VanDerWaalsContact O-N 3.13Å
207	K	94.2	Very high	96.4	Very high	96 Å²	96	34.9 Å²	34.9	42%	0.417	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.3	-178.8	-66.9	160.1	162.7	-146.4	0	110.6	M203 R204 D205 E272	M203-K207 CarbonylContact C-O 3.57Å; M203-K207 WeakPolarHBondContact CA-O 3.36Å; R204-K207 PolarHBondContact N-O 3.04Å; R204-K207 PolarHBondContact O-N 3.31Å; R204-K207 VanDerWaalsContact O-O 3.11Å; D205-K207 VanDerWaalsContact C-N 3.26Å; D205-K207 PolarHBondContact O-N 3.21Å; K207-E272 HydrophobicContact CB-CG 4.31Å; K207-E272 VanDerWaalsContact CD-CD 3.43Å; K207-E272 HydrophobicContact CD-CG 4.23Å; K207-E272 WeakPolarHBondContact CD-OE1 3.43Å; K207-E272 WeakPolarHBondContact CD-OE2 3.32Å; K207-E272 WeakPolarHBondContact CE-OE1 3.35Å; K207-E272 IonicContact NZ-OE1 2.72Å; K207-E272 PolarHBondContact NZ-OE1 3.48Å; K207-E272 IonicContact NZ-OE2 2.77Å; K207-E272 PolarHBondContact NZ-OE2 2.99Å
208	L	96.5	Very high	96.2	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.037	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.4	173.5	-167.6	71.3	0	0	0	108.2	I201 M203 I273 W322 T353 A358	I201-L208 HydrophobicContact CG2-CD1 3.79Å; I201-L208 HydrophobicContact CG2-CD2 4.2Å; I201-L208 HydrophobicContact CG2-CG 3.89Å; M203-L208 HydrophobicContact CG-CD1 4.45Å; M203-L208 HydrophobicContact SD-CB 3.97Å; M203-L208 HydrophobicContact SD-CD1 3.67Å; M203-L208 HydrophobicContact SD-CG 4.46Å; L208-I273 HydrophobicContact CD2-CD1 4.18Å; L208-I273 HydrophobicContact CG-CD1 4.21Å; L208-I273 WeakPolarHBondContact O-CB 3.35Å; L208-I273 PolarHBondContact O-N 3.39Å; L208-W322 HydrophobicContact CD1-CZ2 4.36Å; L208-W322 HydrophobicContact CD2-CH2 3.75Å; L208-W322 HydrophobicContact CD2-CZ2 3.88Å; L208-T353 HydrophobicContact CD1-CG2 4.36Å; L208-A358 HydrophobicContact CD2-CB 4.17Å
209	C	97.5	Very high	95.9	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.034	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.6	-175.6	-53.7	0	0	0	0	112.2	I201 A202 M211 V270 H271	I201-C209 WeakPolarHBondContact CA-O 3.4Å; A202-C209 PolarHBondContact N-O 3.41Å; A202-C209 VanDerWaalsContact N-O 3.13Å; A202-C209 PolarHBondContact O-N 2.96Å; C209-M211 HydrophobicContact CB-CE 3.83Å; C209-M211 HydrophobicContact CB-CG 4.28Å; C209-V270 HydrophobicContact CB-CG1 3.62Å; C209-H271 CarbonylContact C-O 3.56Å; C209-H271 WeakPolarHBondContact CA-O 3.1Å; C209-H271 WeakPolarHBondContact CB-O 2.94Å
210	L	97.9	Very high	95.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.5	163.5	175.3	70.5	0	0	0	108.9	A199 V200 I201 W212 H271 I273 L279 I294 I320	A199-L210 HydrophobicContact CB-CD1 4.01Å; V200-L210 CarbonylContact O-C 3.55Å; I201-L210 HydrophobicContact CD1-CD1 4.27Å; I201-L210 HydrophobicContact CG1-CB 4.33Å; I201-L210 HydrophobicContact CG1-CD1 3.73Å; L210-W212 HydrophobicContact CD2-CE3 4.5Å; L210-W212 HydrophobicContact CD2-CZ3 4.11Å; L210-W212 HydrophobicContact CG-CE3 4.35Å; L210-W212 HydrophobicContact CG-CZ3 4.26Å; L210-H271 HydrophobicContact CB-CB 4.27Å; L210-H271 PolarHBondContact N-O 2.89Å; L210-H271 PolarHBondContact O-N 3.29Å; L210-I273 HydrophobicContact CB-CD1 4.37Å; L210-L279 HydrophobicContact CB-CD1 4.39Å; L210-L279 HydrophobicContact CD2-CD1 3.79Å; L210-I294 HydrophobicContact CD2-CD1 3.4Å; L210-I294 VanDerWaalsContact CD2-CD1 3.4Å; L210-I320 HydrophobicContact CD1-CG2 3.9Å
211	M	98.2	Very high	95.4	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.7	-175.4	-52.3	173.9	-144.5	0	0	111.8	A199 V200 A202 R204 C209 T268 I269 V270 Y326	A199-M211 CarbonylContact C-O 3.49Å; A199-M211 WeakPolarHBondContact CA-O 3.4Å; V200-M211 HydrophobicContact CG2-CB 3.86Å; V200-M211 HydrophobicContact CG2-SD 4.48Å; V200-M211 PolarHBondContact N-O 3.19Å; V200-M211 PolarHBondContact O-N 2.94Å; A202-M211 HydrophobicContact CB-CE 3.97Å; A202-M211 WeakPolarHBondContact O-CE 3.36Å; R204-M211 HydrophobicContact CB-CE 4Å; R204-M211 VanDerWaalsContact CZ-SD 3.58Å; R204-M211 PolarHBondContact NH2-SD 3.47Å; C209-M211 HydrophobicContact CB-CE 3.83Å; C209-M211 HydrophobicContact CB-CG 4.28Å; M211-T268 HydrophobicContact CB-CG2 3.8Å; M211-T268 HydrophobicContact CG-CG2 4.37Å; M211-T268 HydrophobicContact SD-CG2 4.32Å; M211-I269 WeakPolarHBondContact CA-O 3.24Å; M211-V270 HydrophobicContact CG-CG1 4.49Å; M211-V270 HydrophobicContact CG-CG2 4.4Å; M211-Y326 HydrophobicContact CB-CE2 4.31Å; M211-Y326 PolarHBondContact O-OH 3.39Å
212	W	98.4	Very high	95.2	Very high	1 Å²	1	49 Å²	49	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	159.3	167.4	62.7	95.7	0	0	0	110.7	A199 L210 A229 V252 T268 I269 H271 V296 Y315 Y326	A199-W212 HydrophobicContact CB-CB 4.41Å; L210-W212 HydrophobicContact CD2-CE3 4.5Å; L210-W212 HydrophobicContact CD2-CZ3 4.11Å; L210-W212 HydrophobicContact CG-CE3 4.35Å; L210-W212 HydrophobicContact CG-CZ3 4.26Å; W212-A229 HydrophobicContact CH2-CB 3.51Å; W212-A229 HydrophobicContact CZ2-CB 3.78Å; W212-A229 HydrophobicContact CZ3-CB 4.47Å; W212-V252 HydrophobicContact CH2-CG1 3.48Å; W212-V252 VanDerWaalsContact CH2-CG1 3.48Å; W212-V252 HydrophobicContact CZ2-CG1 3.92Å; W212-T268 CarbonylContact O-C 3.6Å; W212-T268 WeakPolarHBondContact O-CA 3.42Å; W212-I269 HydrophobicContact CD2-CB 4.04Å; W212-I269 HydrophobicContact CD2-CG2 4.35Å; W212-I269 HydrophobicContact CG-CB 4.37Å; W212-I269 HydrophobicContact CH2-CG2 3.85Å; W212-I269 HydrophobicContact CZ2-CB 3.91Å; W212-I269 HydrophobicContact CZ2-CG2 3.34Å; W212-I269 PolarHBondContact N-O 3.24Å; W212-I269 VanDerWaalsContact N-O 3.17Å; W212-I269 PolarHBondContact O-N 3.33Å; W212-H271 HydrophobicContact CZ3-CB 4.31Å; W212-V296 HydrophobicContact CD2-CG1 3.82Å; W212-V296 HydrophobicContact CE3-CG1 4.35Å; W212-V296 HydrophobicContact CG-CG1 4.2Å; W212-V296 HydrophobicContact CH2-CG1 4.34Å; W212-V296 HydrophobicContact CZ2-CB 4.47Å; W212-V296 HydrophobicContact CZ2-CG1 3.8Å; W212-Y315 HydrophobicContact CB-CE2 3.75Å; W212-Y315 HydrophobicContact CG-CE2 4.03Å; W212-Y326 WeakPolarHBondContact CA-OH 3.29Å
213	R	97.9	Very high	95.1	Very high	12 Å²	12	51.9 Å²	51.9	5%	0.045	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.4	-177.3	-168.2	176.4	-81	175.9	-20.2	111.1	F195 S196 P266 I267 Y326 E327 V329 F344	F195-R213 CarbonylContact C-O 3.52Å; F195-R213 VanDerWaalsContact CA-O 3.31Å; F195-R213 WeakPolarHBondContact CA-O 3.41Å; S196-R213 PolarHBondContact N-O 3.48Å; S196-R213 PolarHBondContact OG-N 2.96Å; R213-P266 HydrophobicContact CG-CB 4.08Å; R213-I267 WeakPolarHBondContact CA-O 3.3Å; R213-I267 WeakPolarHBondContact CG-O 3.33Å; R213-Y326 HydrophobicContact CB-CE2 4.41Å; R213-E327 PolarHBondContact NH1-O 2.59Å; R213-E327 PolarHBondContact NH2-O 2.92Å; R213-V329 VanDerWaalsContact NH1-CG1 3.32Å; R213-F344 HydrophobicContact CB-CZ 4.25Å; R213-F344 HydrophobicContact CG-CD2 4.3Å; R213-F344 HydrophobicContact CG-CE2 3.73Å; R213-F344 HydrophobicContact CG-CZ 3.88Å; R213-F344 PolarHBondContact NH1-O 2.71Å
214	V	97.3	Very high	95	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.7	171.5	-64.5	0	0	0	0	109.9	V194 F195 I261 L263 P266 I267 I269 L298	V194-V214 CarbonylContact O-C 3.45Å; V194-V214 WeakPolarHBondContact O-CA 3.39Å; F195-V214 HydrophobicContact CD1-CG1 3.62Å; F195-V214 HydrophobicContact CE1-CG1 3.53Å; F195-V214 HydrophobicContact CZ-CG1 4.43Å; V214-I261 HydrophobicContact CG2-CD1 4.02Å; V214-L263 HydrophobicContact CG2-CD1 3.93Å; V214-P266 CarbonylContact O-C 3.47Å; V214-P266 WeakPolarHBondContact O-CA 3.42Å; V214-I267 HydrophobicContact CG2-CB 4.27Å; V214-I267 PolarHBondContact N-O 3.45Å; V214-I267 PolarHBondContact O-N 3.29Å; V214-I269 HydrophobicContact CG1-CG1 4.14Å; V214-I269 HydrophobicContact CG2-CD1 3.84Å; V214-I269 HydrophobicContact CG2-CG1 3.97Å; V214-L298 HydrophobicContact CB-CD2 4.43Å
215	G	95.8	Very high	95	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	147.7	179.5	0	0	0	0	0	113	L193 V194	L193-G215 WeakPolarHBondContact CA-O 3.42Å; V194-G215 WeakPolarHBondContact CG2-O 3.46Å; V194-G215 PolarHBondContact N-O 2.77Å; V194-G215 PolarHBondContact O-N 3.25Å
216	N	95.3	Very high	95.2	Very high	8 Å²	8	48 Å²	48	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117	173.3	176.8	16.4	0	0	0	109.4	R189 L193 R218 S220 L263 Y341	R189-N216 PolarHBondContact NH1-OD1 3.19Å; R189-N216 PolarHBondContact NH2-OD1 2.98Å; L193-N216 HydrophobicContact CD2-CB 4.2Å; N216-R218 VanDerWaalsContact C-N 3.29Å; N216-R218 VanDerWaalsContact CG-O 3.3Å; N216-R218 PolarHBondContact ND2-O 3.1Å; N216-R218 VanDerWaalsContact ND2-O 3.15Å; N216-R218 PolarHBondContact O-N 3.24Å; N216-R218 PolarHBondContact OD1-N 2.86Å; N216-R218 VanDerWaalsContact OD1-N 3.08Å; N216-R218 PolarHBondContact OD1-O 2.86Å; N216-S220 PolarHBondContact ND2-O 2.89Å; N216-L263 HydrophobicContact CB-CD2 4.04Å; N216-L263 HydrophobicContact CB-CG 4.09Å; N216-Y341 PolarHBondContact O-OH 3.48Å
217	L	93.5	Very high	95.5	Very high	93 Å²	93	45.1 Å²	45.1	49%	0.487	21%	0.212	S	C	.	.			trans	-79.7	-9.3	-179.3	-61.3	-176.1	0	0	0	113.4	T192 V194 Y341	T192-L217 WeakPolarHBondContact O-CB 3.09Å; T192-L217 WeakPolarHBondContact O-CG 3.32Å; T192-L217 PolarHBondContact O-N 3.44Å; V194-L217 HydrophobicContact CG1-CD1 3.66Å; V194-L217 HydrophobicContact CG1-CD2 4.33Å; V194-L217 HydrophobicContact CG1-CG 3.94Å; V194-L217 HydrophobicContact CG2-CD2 3.93Å; V194-L217 HydrophobicContact CG2-CG 4.15Å; L217-Y341 HydrophobicContact CD2-CD1 3.78Å; L217-Y341 HydrophobicContact CD2-CE1 3.5Å; L217-Y341 HydrophobicContact CD2-CG 4.43Å
218	R	92.3	Very high	95.6	Very high	136 Å²	136	44.2 Å²	44.2	51%	0.513	21%	0.206	S	C	.	.	S	Bend	trans	-103.7	155.4	177.8	-62.4	-171.4	175.7	-106.2	-4.7	111.2	T192 N216 S220	T192-R218 HydrophobicContact CG2-CG 4.11Å; N216-R218 VanDerWaalsContact C-N 3.29Å; N216-R218 VanDerWaalsContact CG-O 3.3Å; N216-R218 PolarHBondContact ND2-O 3.1Å; N216-R218 VanDerWaalsContact ND2-O 3.15Å; N216-R218 PolarHBondContact O-N 3.24Å; N216-R218 PolarHBondContact OD1-N 2.86Å; N216-R218 VanDerWaalsContact OD1-N 3.08Å; N216-R218 PolarHBondContact OD1-O 2.86Å; R218-S220 VanDerWaalsContact C-N 3.34Å
219	K	90.6	Very high	95.7	Very high	207 Å²	207	43.9 Å²	43.9	90%	0.9	20%	0.204	S	C	*	.	S	Bend	trans	-69.2	-30.2	169.2	-64.7	-172	177.4	-174.4	0	113.2
220	S	93.1	Very high	95.7	Very high	41 Å²	41	45 Å²	45	29%	0.287	21%	0.209	S	C	.	.	S	Bend	trans	-64.1	141.8	175	62.7	0	0	0	0	109.9	R189 N216 R218 E303	R189-S220 PolarHBondContact NH2-O 3.17Å; R189-S220 PolarHBondContact NH2-OG 3.29Å; N216-S220 PolarHBondContact ND2-O 2.89Å; R218-S220 VanDerWaalsContact C-N 3.34Å; S220-E303 WeakPolarHBondContact CA-OE2 3.12Å; S220-E303 WeakPolarHBondContact CB-OE2 3.09Å
221	H	93.1	Very high	95.6	Very high	67 Å²	67	45 Å²	45	31%	0.31	21%	0.209	S	C	.	.			trans	-76	165.3	-176.6	-66.3	-85.3	0	0	0	112.2	R189 E303	R189-H221 PolarHBondContact NH2-O 3.44Å; R189-H221 VanDerWaalsContact NH2-O 3.12Å; H221-E303 IonicContact CD2-OE1 3.93Å; H221-E303 IonicContact CD2-OE2 3.85Å; H221-E303 PolarHBondContact N-OE2 3.32Å
222	L	93.6	Very high	95.5	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.047	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	106.5	163.2	-174.3	70.3	0	0	0	105.6	L193 A225 L298 T309	L193-L222 HydrophobicContact CD1-CD1 4.36Å; L193-L222 HydrophobicContact CD1-CD2 3.97Å; L193-L222 HydrophobicContact CD2-CD2 4.24Å; L222-A225 HydrophobicContact CB-CB 4.22Å; L222-A225 HydrophobicContact CD2-CB 3.73Å; L222-A225 HydrophobicContact CG-CB 3.89Å; L222-L298 HydrophobicContact CD2-CD1 4.19Å; L222-L298 HydrophobicContact CD2-CD2 4.15Å; L222-L298 HydrophobicContact CD2-CG 4.06Å; L222-T309 HydrophobicContact CD1-CG2 3.86Å
223	V	94	Very high	95.3	Very high	61 Å²	61	48.6 Å²	48.6	37%	0.37	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	144.5	-174.2	-179.6	0	0	0	0	109.1	A225 G300 M301 E303	V223-A225 PolarHBondContact O-N 2.81Å; V223-A225 VanDerWaalsContact O-N 3.15Å; V223-G300 CarbonylContact O-C 3.49Å; V223-G300 WeakPolarHBondContact O-CA 3.4Å; V223-M301 HydrophobicContact CB-CB 4.25Å; V223-M301 HydrophobicContact CG1-CE 4.04Å; V223-M301 PolarHBondContact N-O 2.88Å; V223-M301 PolarHBondContact O-N 2.86Å; V223-E303 HydrophobicContact CG2-CB 4.31Å
224	E	94.5	Very high	95	Very high	145 Å²	145	50.1 Å²	50.1	68%	0.678	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	50	38.6	-176.2	-65.2	-178.3	178.1	0	0	113.1	H226 M301	E224-H226 PolarHBondContact O-N 2.61Å; E224-H226 PolarHBondContact O-ND1 3.02Å; E224-M301 HydrophobicContact CB-CE 4.03Å; E224-M301 HydrophobicContact CG-CE 3.8Å; E224-M301 WeakPolarHBondContact OE2-CE 3.49Å
225	A	96.3	Very high	94.8	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.6	-180	0	0	0	0	0	110.4	L222 V223 R260 I261 E299	L222-A225 HydrophobicContact CB-CB 4.22Å; L222-A225 HydrophobicContact CD2-CB 3.73Å; L222-A225 HydrophobicContact CG-CB 3.89Å; V223-A225 PolarHBondContact O-N 2.81Å; V223-A225 VanDerWaalsContact O-N 3.15Å; A225-R260 CarbonylContact O-C 3.46Å; A225-R260 WeakPolarHBondContact O-CA 3.43Å; A225-I261 HydrophobicContact CB-CG1 3.96Å; A225-I261 PolarHBondContact O-N 2.92Å; A225-E299 CarbonylContact C-O 3.55Å; A225-E299 VanDerWaalsContact CA-O 3.22Å; A225-E299 WeakPolarHBondContact CA-O 3.2Å
226	H	97.1	Very high	94.7	Very high	53 Å²	53	60.5 Å²	60.5	25%	0.245	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.5	175.7	63.9	-79.4	0	0	0	111.1	E224 D259 R260 E299	E224-H226 PolarHBondContact O-N 2.61Å; E224-H226 PolarHBondContact O-ND1 3.02Å; H226-D259 WeakPolarHBondContact CA-O 3.35Å; H226-R260 HydrophobicContact CB-CG 4.35Å; H226-E299 WeakPolarHBondContact CE1-CB 3.25Å; H226-E299 IonicContact CE1-OE2 3.33Å; H226-E299 PolarHBondContact N-O 3Å; H226-E299 IonicContact NE2-OE2 2.89Å; H226-E299 PolarHBondContact NE2-OE2 3.37Å; H226-E299 PolarHBondContact O-N 2.71Å
227	V	97.6	Very high	94.7	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148	-174.5	-69.4	0	0	0	0	111.9	V252 D259 I261 I269 I297 L298	V227-V252 HydrophobicContact CG2-CB 4.42Å; V227-V252 HydrophobicContact CG2-CG2 4Å; V227-V252 WeakPolarHBondContact O-CG2 3.29Å; V227-D259 WeakPolarHBondContact CG2-O 3.28Å; V227-D259 PolarHBondContact N-O 2.92Å; V227-I261 HydrophobicContact CG1-CD1 3.89Å; V227-I269 HydrophobicContact CB-CD1 4.5Å; V227-I269 HydrophobicContact CG1-CD1 3.89Å; V227-I269 HydrophobicContact CG1-CG1 4.18Å; V227-I269 HydrophobicContact CG2-CD1 4.04Å; V227-I269 HydrophobicContact CG2-CG1 4.46Å; V227-I269 HydrophobicContact CG2-CG2 3.93Å; V227-I297 WeakPolarHBondContact CA-O 3.11Å; V227-L298 HydrophobicContact CG1-CD1 3.69Å
228	R	97.3	Very high	94.8	Very high	76 Å²	76	62 Å²	62	29%	0.287	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.9	174.8	-59	172	61.6	-167.3	-0.1	109.2	I297 E299	R228-I297 HydrophobicContact CB-CB 4.27Å; R228-I297 PolarHBondContact N-O 3.49Å; R228-I297 PolarHBondContact O-N 3.02Å; R228-E299 IonicContact NH1-OE1 3.42Å
229	A	97.9	Very high	95	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	144.8	175.8	0	0	0	0	0	110.5	W212 I250 V252 V295 V296	W212-A229 HydrophobicContact CH2-CB 3.51Å; W212-A229 HydrophobicContact CZ2-CB 3.78Å; W212-A229 HydrophobicContact CZ3-CB 4.47Å; A229-I250 HydrophobicContact CB-CB 3.82Å; A229-I250 HydrophobicContact CB-CD1 4.45Å; A229-I250 HydrophobicContact CB-CG2 4.15Å; A229-I250 PolarHBondContact O-N 3.39Å; A229-V252 HydrophobicContact CB-CG1 4.34Å; A229-V295 CarbonylContact C-O 3.48Å; A229-V295 VanDerWaalsContact CA-O 3.31Å; A229-V295 WeakPolarHBondContact CA-O 3.41Å; A229-V296 HydrophobicContact CB-CG1 4.32Å
230	Q	97.4	Very high	95.2	Very high	28 Å²	28	55.4 Å²	55.4	13%	0.131	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.3	-179.9	-65.2	-175.8	-39.1	0	0	110.3	I248 I294 V295	Q230-I248 CarbonylContact C-O 3.57Å; Q230-I248 VanDerWaalsContact CA-O 3.26Å; Q230-I248 WeakPolarHBondContact CA-O 3.48Å; Q230-I294 CarbonylContact O-C 3.55Å; Q230-I294 WeakPolarHBondContact O-CA 3.29Å; Q230-V295 PolarHBondContact N-O 3.5Å; Q230-V295 PolarHBondContact O-N 3.07Å
231	L	96.9	Very high	95.3	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	123	168.7	-170	146.1	0	0	0	109.4	K233 I248 I250 P278 L279 F292	L231-K233 HydrophobicContact CD2-CB 3.87Å; L231-K233 HydrophobicContact CD2-CD 3.62Å; L231-K233 HydrophobicContact CD2-CG 3.54Å; L231-I248 HydrophobicContact CB-CB 4.43Å; L231-I248 HydrophobicContact CD2-CD1 4.47Å; L231-I248 PolarHBondContact N-O 3.27Å; L231-I248 PolarHBondContact O-N 3Å; L231-I250 HydrophobicContact CB-CD1 4.04Å; L231-I250 HydrophobicContact CB-CG1 4.16Å; L231-P278 HydrophobicContact CB-CG 4.34Å; L231-P278 HydrophobicContact CD1-CB 4.22Å; L231-P278 HydrophobicContact CD1-CG 4.17Å; L231-L279 HydrophobicContact CD1-CD2 3.49Å; L231-L279 VanDerWaalsContact CD1-CD2 3.49Å; L231-L279 HydrophobicContact CD1-CG 4.24Å; L231-F292 HydrophobicContact CD1-CD2 4.16Å; L231-F292 HydrophobicContact CD1-CG 4.38Å; L231-F292 HydrophobicContact CD2-CB 4.27Å; L231-F292 HydrophobicContact CG-CB 4.43Å; L231-F292 HydrophobicContact CG-CD2 4.35Å
232	L	95.6	Very high	95.4	Very high	5 Å²	5	63 Å²	63	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.3	175.9	-55.4	-172.9	0	0	0	109.4	F47 L245 D246 Q247 F292 E293 V295	F47-L232 HydrophobicContact CB-CD1 3.9Å; F47-L232 HydrophobicContact CD1-CD1 3.47Å; F47-L232 VanDerWaalsContact CD1-CD1 3.47Å; F47-L232 HydrophobicContact CE1-CD1 4.3Å; F47-L232 HydrophobicContact CG-CD1 3.93Å; L232-L245 HydrophobicContact CB-CD1 4.19Å; L232-L245 HydrophobicContact CB-CD2 4.33Å; L232-L245 HydrophobicContact CB-CG 4.15Å; L232-L245 HydrophobicContact CD1-CD1 4.36Å; L232-L245 HydrophobicContact CD1-CD2 4.09Å; L232-L245 HydrophobicContact CD2-CD2 3.87Å; L232-L245 HydrophobicContact CG-CD2 4.33Å; L232-D246 WeakPolarHBondContact CA-O 3.43Å; L232-Q247 HydrophobicContact CD2-CB 3.94Å; L232-Q247 HydrophobicContact CD2-CG 3.61Å; L232-F292 WeakPolarHBondContact O-CA 3.35Å; L232-E293 HydrophobicContact CB-CB 4.28Å; L232-E293 WeakPolarHBondContact CB-O 3.19Å; L232-E293 PolarHBondContact N-O 3.07Å; L232-E293 PolarHBondContact O-N 3.17Å; L232-V295 HydrophobicContact CD1-CB 4.43Å; L232-V295 HydrophobicContact CD1-CG2 3.36Å; L232-V295 HydrophobicContact CG-CG2 3.96Å
233	K	93.3	Very high	95.5	Very high	73 Å²	73	64.3 Å²	64.3	32%	0.317	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	154.5	172.1	69	177.9	175.8	-172.6	0	111	L231 D246 F292	L231-K233 HydrophobicContact CD2-CB 3.87Å; L231-K233 HydrophobicContact CD2-CD 3.62Å; L231-K233 HydrophobicContact CD2-CG 3.54Å; K233-D246 PolarHBondContact N-O 2.92Å; K233-D246 PolarHBondContact O-N 3.31Å; K233-F292 HydrophobicContact CB-CB 4.05Å
234	S	92.5	Very high	95.3	Very high	45 Å²	45	65 Å²	65	32%	0.315	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	139.5	166.7	47	0	0	0	0	109.4	R44 I243 P244	R44-S234 PolarHBondContact NH1-OG 2.98Å; S234-I243 WeakPolarHBondContact CA-O 3.16Å; S234-P244 WeakPolarHBondContact CA-O 3.18Å; S234-P244 VanDerWaalsContact CB-O 3.3Å; S234-P244 WeakPolarHBondContact CB-O 3.41Å
235	R	92.2	Very high	95.2	Very high	99 Å²	99	60.1 Å²	60.1	37%	0.374	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	159.5	172.5	71.2	169.7	175.5	109	2.3	112.2	I243 D246	R235-I243 HydrophobicContact CG-CB 4.36Å; R235-I243 PolarHBondContact N-O 2.88Å; R235-I243 VanDerWaalsContact N-O 3.13Å; R235-I243 PolarHBondContact O-N 3.49Å; R235-D246 WeakPolarHBondContact CD-OD2 3.48Å; R235-D246 HydrophobicContact CG-CB 3.93Å; R235-D246 IonicContact CZ-OD2 3.96Å; R235-D246 IonicContact NE-OD1 3.44Å; R235-D246 IonicContact NE-OD2 3.86Å; R235-D246 PolarHBondContact NE-OD2 3.3Å; R235-D246 IonicContact NH2-OD1 3.64Å; R235-D246 IonicContact NH2-OD2 3.2Å; R235-D246 PolarHBondContact NH2-OD2 2.9Å
236	I	94.5	Very high	95.1	Very high	118 Å²	118	61.5 Å²	61.5	61%	0.605	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.7	168.8	-61.1	170.4	0	0	0	106.8	E241 Y242	I236-E241 CarbonylContact C-O 3.54Å; I236-E241 VanDerWaalsContact CA-O 3.28Å; I236-E241 WeakPolarHBondContact CA-O 3.29Å; I236-Y242 HydrophobicContact CG1-CD2 3.88Å
237	T	95.4	Very high	95	Very high	17 Å²	17	62.8 Å²	62.8	10%	0.104	33%	0.326	C	S	.	.			trans	-73.3	167.7	178.2	76.5	0	0	0	0	111.2	E239 G240 E241 I243	T237-E239 WeakPolarHBondContact CB-OE2 3.23Å; T237-E239 PolarHBondContact O-N 3.39Å; T237-E239 PolarHBondContact OG1-N 3.49Å; T237-E239 PolarHBondContact OG1-OE2 3.01Å; T237-G240 PolarHBondContact O-N 3.2Å; T237-G240 PolarHBondContact OG1-N 3.32Å; T237-E241 HydrophobicContact CG2-CB 3.94Å; T237-E241 PolarHBondContact N-O 2.84Å; T237-E241 WeakPolarHBondContact OG1-CB 3.43Å; T237-E241 PolarHBondContact OG1-N 3.2Å; T237-E241 VanDerWaalsContact OG1-N 3.16Å; T237-I243 HydrophobicContact CG2-CD1 3.96Å; T237-I243 HydrophobicContact CG2-CG1 4.48Å
238	S	95.2	Very high	94.9	Very high	117 Å²	117	65 Å²	65	82%	0.818	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.6	172.8	29.3	0	0	0	0	113	G240	S238-G240 VanDerWaalsContact C-N 3.3Å
239	E	96.2	Very high	94.9	Very high	150 Å²	150	65.5 Å²	65.5	70%	0.701	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.4	179.4	-53.6	70.8	-148.2	0	0	112.8	T237	T237-E239 WeakPolarHBondContact CB-OE2 3.23Å; T237-E239 PolarHBondContact O-N 3.39Å; T237-E239 PolarHBondContact OG1-N 3.49Å; T237-E239 PolarHBondContact OG1-OE2 3.01Å
240	G	94.6	Very high	94.9	Very high	54 Å²	54	65.5 Å²	65.5	56%	0.557	35%	0.346	S	S	*	.			trans	89.7	11.6	-179.8	0	0	0	0	0	115.2	T237 S238	T237-G240 PolarHBondContact O-N 3.2Å; T237-G240 PolarHBondContact OG1-N 3.32Å; S238-G240 VanDerWaalsContact C-N 3.3Å
241	E	96	Very high	94.8	Very high	129 Å²	129	67.2 Å²	67.2	60%	0.603	36%	0.355	S	S	*	.			trans	-75.5	125.6	175.1	-178.3	-177.4	-167.3	0	0	110.5	I236 T237 I243	I236-E241 CarbonylContact C-O 3.54Å; I236-E241 VanDerWaalsContact CA-O 3.28Å; I236-E241 WeakPolarHBondContact CA-O 3.29Å; T237-E241 HydrophobicContact CG2-CB 3.94Å; T237-E241 PolarHBondContact N-O 2.84Å; T237-E241 WeakPolarHBondContact OG1-CB 3.43Å; T237-E241 PolarHBondContact OG1-N 3.2Å; T237-E241 VanDerWaalsContact OG1-N 3.16Å; E241-I243 HydrophobicContact CG-CG1 4.46Å
242	Y	95.3	Very high	94.8	Very high	139 Å²	139	67.9 Å²	67.9	55%	0.545	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.9	174.4	176.4	-109.2	0	0	0	111	I236 P244	I236-Y242 HydrophobicContact CG1-CD2 3.88Å; Y242-P244 HydrophobicContact CD1-CG 4.14Å; Y242-P244 HydrophobicContact CE1-CB 4.04Å; Y242-P244 HydrophobicContact CE1-CG 3.8Å
243	I	94.6	Very high	94.6	Very high	35 Å²	35	68.2 Å²	68.2	18%	0.179	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	110.5	174	-58	173.3	0	0	0	107.9	S234 R235 T237 E241 L245 D246	S234-I243 WeakPolarHBondContact CA-O 3.16Å; R235-I243 HydrophobicContact CG-CB 4.36Å; R235-I243 PolarHBondContact N-O 2.88Å; R235-I243 VanDerWaalsContact N-O 3.13Å; R235-I243 PolarHBondContact O-N 3.49Å; T237-I243 HydrophobicContact CG2-CD1 3.96Å; T237-I243 HydrophobicContact CG2-CG1 4.48Å; E241-I243 HydrophobicContact CG-CG1 4.46Å; I243-L245 VanDerWaalsContact C-N 3.29Å; I243-L245 PolarHBondContact O-N 3.01Å; I243-D246 HydrophobicContact CB-CB 4.48Å; I243-D246 HydrophobicContact CG2-CB 3.85Å
244	P	91.7	Very high	94.6	Very high	77 Å²	77	71.6 Å²	71.6	50%	0.5	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	-35.8	-174	-25.6	33.2	0	0	0	114.3	R44 S234 Y242	R44-P244 PolarHBondContact NH2-O 3.45Å; S234-P244 WeakPolarHBondContact CA-O 3.18Å; S234-P244 VanDerWaalsContact CB-O 3.3Å; S234-P244 WeakPolarHBondContact CB-O 3.41Å; Y242-P244 HydrophobicContact CD1-CG 4.14Å; Y242-P244 HydrophobicContact CE1-CB 4.04Å; Y242-P244 HydrophobicContact CE1-CG 3.8Å
245	L	91.8	Very high	94.6	Very high	42 Å²	42	76 Å²	76	22%	0.22	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	94.7	178.9	-172.4	131.7	0	0	0	108	F47 L232 I243 Q247	F47-L245 HydrophobicContact CB-CD1 4.15Å; F47-L245 HydrophobicContact CD1-CD2 4.5Å; F47-L245 HydrophobicContact CD2-CD1 3.92Å; F47-L245 HydrophobicContact CD2-CD2 4.3Å; F47-L245 HydrophobicContact CE1-CD2 4.48Å; F47-L245 HydrophobicContact CE2-CD2 4.22Å; F47-L245 HydrophobicContact CG-CD1 4.08Å; F47-L245 HydrophobicContact CG-CD2 4.44Å; F47-L245 HydrophobicContact CZ-CD2 4.34Å; L232-L245 HydrophobicContact CB-CD1 4.19Å; L232-L245 HydrophobicContact CB-CD2 4.33Å; L232-L245 HydrophobicContact CB-CG 4.15Å; L232-L245 HydrophobicContact CD1-CD1 4.36Å; L232-L245 HydrophobicContact CD1-CD2 4.09Å; L232-L245 HydrophobicContact CD2-CD2 3.87Å; L232-L245 HydrophobicContact CG-CD2 4.33Å; I243-L245 VanDerWaalsContact C-N 3.29Å; I243-L245 PolarHBondContact O-N 3.01Å; L245-Q247 HydrophobicContact CD2-CG 4.26Å
246	D	94.7	Very high	94.6	Very high	30 Å²	30	74.8 Å²	74.8	16%	0.16	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	142.1	174	-167.8	45.9	0	0	0	109.8	L232 K233 R235 I243 I248	L232-D246 WeakPolarHBondContact CA-O 3.43Å; K233-D246 PolarHBondContact N-O 2.92Å; K233-D246 PolarHBondContact O-N 3.31Å; R235-D246 WeakPolarHBondContact CD-OD2 3.48Å; R235-D246 HydrophobicContact CG-CB 3.93Å; R235-D246 IonicContact CZ-OD2 3.96Å; R235-D246 IonicContact NE-OD1 3.44Å; R235-D246 IonicContact NE-OD2 3.86Å; R235-D246 PolarHBondContact NE-OD2 3.3Å; R235-D246 IonicContact NH2-OD1 3.64Å; R235-D246 IonicContact NH2-OD2 3.2Å; R235-D246 PolarHBondContact NH2-OD2 2.9Å; I243-D246 HydrophobicContact CB-CB 4.48Å; I243-D246 HydrophobicContact CG2-CB 3.85Å; D246-I248 WeakPolarHBondContact OD2-CG1 3.45Å
247	Q	95	Very high	94.5	Very high	81 Å²	81	69.8 Å²	69.8	38%	0.379	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	101.8	-178	-49.6	-171.5	-4.2	0	0	108.5	L232 L245	L232-Q247 HydrophobicContact CD2-CB 3.94Å; L232-Q247 HydrophobicContact CD2-CG 3.61Å; L245-Q247 HydrophobicContact CD2-CG 4.26Å
248	I	95.8	Very high	94.4	Very high	48 Å²	48	74.7 Å²	74.7	25%	0.246	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.6	-178.4	-55.6	170.2	0	0	0	108	Q230 L231 D246 P278	Q230-I248 CarbonylContact C-O 3.57Å; Q230-I248 VanDerWaalsContact CA-O 3.26Å; Q230-I248 WeakPolarHBondContact CA-O 3.48Å; L231-I248 HydrophobicContact CB-CB 4.43Å; L231-I248 HydrophobicContact CD2-CD1 4.47Å; L231-I248 PolarHBondContact N-O 3.27Å; L231-I248 PolarHBondContact O-N 3Å; D246-I248 WeakPolarHBondContact OD2-CG1 3.45Å; I248-P278 HydrophobicContact CG2-CB 4Å; I248-P278 HydrophobicContact CG2-CG 4.12Å
249	D	96.5	Very high	94.4	Very high	88 Å²	88	69.6 Å²	69.6	47%	0.471	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	142.6	179.2	-165.7	74.9	0	0	0	111.3
250	I	96.8	Very high	94.4	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	112.9	173.1	-65.6	-178.4	0	0	0	107.3	A229 L231 V252 H271 P278 I294	A229-I250 HydrophobicContact CB-CB 3.82Å; A229-I250 HydrophobicContact CB-CD1 4.45Å; A229-I250 HydrophobicContact CB-CG2 4.15Å; A229-I250 PolarHBondContact O-N 3.39Å; L231-I250 HydrophobicContact CB-CD1 4.04Å; L231-I250 HydrophobicContact CB-CG1 4.16Å; I250-V252 PolarHBondContact O-N 3.28Å; I250-H271 HydrophobicContact CG2-CB 3.71Å; I250-H271 VanDerWaalsContact CG2-CD2 3.47Å; I250-H271 WeakPolarHBondContact CG2-CD2 3Å; I250-H271 VanDerWaalsContact CG2-ND1 3.33Å; I250-H271 WeakPolarHBondContact CG2-ND1 3.37Å; I250-P278 HydrophobicContact CG1-CG 4.21Å; I250-I294 HydrophobicContact CD1-CD1 4.06Å; I250-I294 HydrophobicContact CD1-CG1 4.13Å; I250-I294 HydrophobicContact CD1-CG2 3.73Å
251	N	96.5	Very high	94.5	Very high	63 Å²	63	69.3 Å²	69.3	34%	0.337	35%	0.349	S	S	.	.			trans	-66.7	117.4	-175.9	-167.3	-2.2	0	0	0	111.6	G253 F254 H271	N251-G253 WeakPolarHBondContact OD1-CA 3.3Å; N251-G253 PolarHBondContact OD1-N 3.02Å; N251-F254 PolarHBondContact OD1-N 3.5Å; N251-H271 PolarHBondContact O-ND1 3.15Å
252	V	96.1	Very high	94.5	Very high	15 Å²	15	70.8 Å²	70.8	9%	0.091	35%	0.354	C	S	.	.	S	Bend	trans	-109.7	19.8	174.6	-68.5	0	0	0	0	112.1	W212 V227 A229 I250 D259 I269 H271	W212-V252 HydrophobicContact CH2-CG1 3.48Å; W212-V252 VanDerWaalsContact CH2-CG1 3.48Å; W212-V252 HydrophobicContact CZ2-CG1 3.92Å; V227-V252 HydrophobicContact CG2-CB 4.42Å; V227-V252 HydrophobicContact CG2-CG2 4Å; V227-V252 WeakPolarHBondContact O-CG2 3.29Å; A229-V252 HydrophobicContact CB-CG1 4.34Å; I250-V252 PolarHBondContact O-N 3.28Å; V252-D259 HydrophobicContact CG2-CB 4.14Å; V252-I269 HydrophobicContact CB-CG2 4.32Å; V252-I269 HydrophobicContact CG1-CG2 3.98Å; V252-H271 HydrophobicContact CG1-CB 4.46Å
253	G	92.7	Very high	94.5	Very high	13 Å²	13	64.2 Å²	64.2	13%	0.134	33%	0.328	C	S	.	.	S	Bend	trans	92	36.1	-179.1	0	0	0	0	0	113.7	N251 S256 G257 I258 D259	N251-G253 WeakPolarHBondContact OD1-CA 3.3Å; N251-G253 PolarHBondContact OD1-N 3.02Å; G253-S256 PolarHBondContact O-OG 2.92Å; G253-S256 VanDerWaalsContact O-OG 3.12Å; G253-G257 CarbonylContact O-C 3.53Å; G253-G257 PolarHBondContact O-N 2.67Å; G253-I258 PolarHBondContact O-N 3.11Å; G253-D259 PolarHBondContact O-N 3.44Å
254	F	92.3	Very high	94.4	Very high	143 Å²	143	66.2 Å²	66.2	63%	0.627	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-44.4	176.7	178.4	-98.5	0	0	0	111.5	N251 S256 G257	N251-F254 PolarHBondContact OD1-N 3.5Å; F254-S256 VanDerWaalsContact C-N 3.29Å; F254-S256 PolarHBondContact O-N 3.47Å; F254-G257 PolarHBondContact O-N 3.35Å
255	D	92.1	Very high	94.6	Very high	139 Å²	139	64.2 Å²	64.2	74%	0.743	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-31.6	-177.6	-57.4	-56.1	0	0	0	113
256	S	92.5	Very high	94.8	Very high	72 Å²	72	62.9 Å²	62.9	50%	0.503	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.1	174.5	54.3	0	0	0	0	113	G253 F254 I258	G253-S256 PolarHBondContact O-OG 2.92Å; G253-S256 VanDerWaalsContact O-OG 3.12Å; F254-S256 VanDerWaalsContact C-N 3.29Å; F254-S256 PolarHBondContact O-N 3.47Å; S256-I258 VanDerWaalsContact C-N 3.27Å; S256-I258 PolarHBondContact O-N 3.04Å; S256-I258 VanDerWaalsContact OG-CD1 3.26Å; S256-I258 WeakPolarHBondContact OG-CD1 3.13Å; S256-I258 VanDerWaalsContact OG-CG1 3.32Å; S256-I258 WeakPolarHBondContact OG-CG1 3.5Å
257	G	92.6	Very high	95	Very high	14 Å²	14	63.6 Å²	63.6	14%	0.144	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	21.5	-176.1	0	0	0	0	0	114.5	G253 F254 D259 R260	G253-G257 CarbonylContact O-C 3.53Å; G253-G257 PolarHBondContact O-N 2.67Å; F254-G257 PolarHBondContact O-N 3.35Å; G257-D259 VanDerWaalsContact C-N 3.3Å; G257-D259 VanDerWaalsContact C-OD1 3.31Å; G257-D259 VanDerWaalsContact CA-OD1 3.31Å; G257-D259 WeakPolarHBondContact CA-OD1 3.43Å; G257-R260 PolarHBondContact O-NE 2.63Å; G257-R260 PolarHBondContact O-NH2 3.21Å; G257-R260 VanDerWaalsContact O-NH2 3.13Å
258	I	93.8	Very high	95.1	Very high	119 Å²	119	61.3 Å²	61.3	61%	0.61	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-19.3	175.1	-62.9	172.3	0	0	0	110.9	G253 S256 R260	G253-I258 PolarHBondContact O-N 3.11Å; S256-I258 VanDerWaalsContact C-N 3.27Å; S256-I258 PolarHBondContact O-N 3.04Å; S256-I258 VanDerWaalsContact OG-CD1 3.26Å; S256-I258 WeakPolarHBondContact OG-CD1 3.13Å; S256-I258 VanDerWaalsContact OG-CG1 3.32Å; S256-I258 WeakPolarHBondContact OG-CG1 3.5Å; I258-R260 PolarHBondContact O-N 3.07Å
259	D	95.2	Very high	95.2	Very high	10 Å²	10	59.5 Å²	59.5	5%	0.053	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.8	171.9	70.8	-54	0	0	0	112.8	H226 V227 V252 G253 G257 I261	H226-D259 WeakPolarHBondContact CA-O 3.35Å; V227-D259 WeakPolarHBondContact CG2-O 3.28Å; V227-D259 PolarHBondContact N-O 2.92Å; V252-D259 HydrophobicContact CG2-CB 4.14Å; G253-D259 PolarHBondContact O-N 3.44Å; G257-D259 VanDerWaalsContact C-N 3.3Å; G257-D259 VanDerWaalsContact C-OD1 3.31Å; G257-D259 VanDerWaalsContact CA-OD1 3.31Å; G257-D259 WeakPolarHBondContact CA-OD1 3.43Å; D259-I261 PolarHBondContact O-N 3.24Å
260	R	96.2	Very high	95.2	Very high	174 Å²	174	57.4 Å²	57.4	66%	0.657	30%	0.299	S	S	*	.	B	Isolated β-bridge	trans	-78.6	115.2	174.4	-59	170.4	-61.2	178.1	3.1	109.9	A225 H226 G257 I258	A225-R260 CarbonylContact O-C 3.46Å; A225-R260 WeakPolarHBondContact O-CA 3.43Å; H226-R260 HydrophobicContact CB-CG 4.35Å; G257-R260 PolarHBondContact O-NE 2.63Å; G257-R260 PolarHBondContact O-NH2 3.21Å; G257-R260 VanDerWaalsContact O-NH2 3.13Å; I258-R260 PolarHBondContact O-N 3.07Å
261	I	96.4	Very high	95.3	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.128	30%	0.3	C	S	.	.			trans	-115.4	145.6	-172.2	61.1	170.8	0	0	0	112.3	V214 A225 V227 D259 L263 I267 I269 L298	V214-I261 HydrophobicContact CG2-CD1 4.02Å; A225-I261 HydrophobicContact CB-CG1 3.96Å; A225-I261 PolarHBondContact O-N 2.92Å; V227-I261 HydrophobicContact CG1-CD1 3.89Å; D259-I261 PolarHBondContact O-N 3.24Å; I261-L263 HydrophobicContact CD1-CB 4.26Å; I261-L263 HydrophobicContact CD1-CD1 4.4Å; I261-I267 HydrophobicContact CB-CD1 4.02Å; I261-I267 HydrophobicContact CD1-CD1 4.49Å; I261-I269 HydrophobicContact CD1-CD1 4.22Å; I261-I269 HydrophobicContact CG2-CD1 4.26Å; I261-L298 HydrophobicContact CD1-CD1 3.95Å
262	F	95.6	Very high	95.3	Very high	159 Å²	159	57.7 Å²	57.7	70%	0.697	30%	0.299	S	S	*	.			trans	-96.8	88.4	168.6	-179.1	-123.5	0	0	0	110.5	V264 I267	F262-V264 HydrophobicContact CD1-CG2 3.89Å; F262-V264 HydrophobicContact CD2-CG2 4.41Å; F262-V264 HydrophobicContact CE1-CB 4.49Å; F262-V264 HydrophobicContact CE1-CG2 3.33Å; F262-V264 HydrophobicContact CE2-CG2 3.9Å; F262-V264 HydrophobicContact CG-CG2 4.4Å; F262-V264 HydrophobicContact CZ-CG2 3.34Å; F262-V264 PolarHBondContact O-N 2.91Å; F262-V264 VanDerWaalsContact O-N 3.1Å; F262-I267 WeakPolarHBondContact O-CD1 3.29Å
263	L	95	Very high	95.3	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	30%	0.297	C	S	.	.			trans	-83.7	84.6	-169.6	-171.7	64.3	0	0	0	113.3	L193 V214 N216 I261 I267 L298	L193-L263 HydrophobicContact CD2-CD2 4.41Å; V214-L263 HydrophobicContact CG2-CD1 3.93Å; N216-L263 HydrophobicContact CB-CD2 4.04Å; N216-L263 HydrophobicContact CB-CG 4.09Å; I261-L263 HydrophobicContact CD1-CB 4.26Å; I261-L263 HydrophobicContact CD1-CD1 4.4Å; L263-I267 HydrophobicContact CD1-CB 4.29Å; L263-I267 HydrophobicContact CD1-CD1 4.1Å; L263-I267 HydrophobicContact CD1-CG1 4.03Å; L263-L298 HydrophobicContact CD2-CD2 3.99Å
264	V	94.1	Very high	95.4	Very high	77 Å²	77	59.2 Å²	59.2	47%	0.467	30%	0.303	S	S	.	.	S	Bend	trans	-101.3	-65.7	171.1	-179.4	0	0	0	0	111.1	F262	F262-V264 HydrophobicContact CD1-CG2 3.89Å; F262-V264 HydrophobicContact CD2-CG2 4.41Å; F262-V264 HydrophobicContact CE1-CB 4.49Å; F262-V264 HydrophobicContact CE1-CG2 3.33Å; F262-V264 HydrophobicContact CE2-CG2 3.9Å; F262-V264 HydrophobicContact CG-CG2 4.4Å; F262-V264 HydrophobicContact CZ-CG2 3.34Å; F262-V264 PolarHBondContact O-N 2.91Å; F262-V264 VanDerWaalsContact O-N 3.1Å
265	S	94.8	Very high	95.5	Very high	34 Å²	34	59.5 Å²	59.5	24%	0.238	31%	0.307	C	S	.	.	S	Bend	trans	-87.7	160.1	167.6	57.8	0	0	0	0	110.2	I267	S265-I267 WeakPolarHBondContact O-CG1 3.49Å; S265-I267 PolarHBondContact O-N 3.09Å
266	P	96.9	Very high	95.6	Very high	14 Å²	14	59.7 Å²	59.7	9%	0.091	31%	0.308	C	S	.	.			trans	-50.9	128.5	171.9	-31.6	38.5	0	0	0	113.3	R213 V214 V329 V339 Y341 F344	R213-P266 HydrophobicContact CG-CB 4.08Å; V214-P266 CarbonylContact O-C 3.47Å; V214-P266 WeakPolarHBondContact O-CA 3.42Å; P266-V329 HydrophobicContact CB-CG2 3.9Å; P266-V329 HydrophobicContact CG-CG2 3.94Å; P266-V339 HydrophobicContact CG-CG1 3.87Å; P266-Y341 HydrophobicContact CG-CE1 3.93Å; P266-F344 HydrophobicContact CB-CD2 3.9Å; P266-F344 HydrophobicContact CB-CE2 3.7Å; P266-F344 HydrophobicContact CG-CD2 3.79Å; P266-F344 HydrophobicContact CG-CE2 3.88Å
267	I	97.2	Very high	95.8	Very high	46 Å²	46	56.7 Å²	56.7	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.5	179	-63	176.4	0	0	0	108.5	R213 V214 I261 F262 L263 S265 I269	R213-I267 WeakPolarHBondContact CA-O 3.3Å; R213-I267 WeakPolarHBondContact CG-O 3.33Å; V214-I267 HydrophobicContact CG2-CB 4.27Å; V214-I267 PolarHBondContact N-O 3.45Å; V214-I267 PolarHBondContact O-N 3.29Å; I261-I267 HydrophobicContact CB-CD1 4.02Å; I261-I267 HydrophobicContact CD1-CD1 4.49Å; F262-I267 WeakPolarHBondContact O-CD1 3.29Å; L263-I267 HydrophobicContact CD1-CB 4.29Å; L263-I267 HydrophobicContact CD1-CD1 4.1Å; L263-I267 HydrophobicContact CD1-CG1 4.03Å; S265-I267 WeakPolarHBondContact O-CG1 3.49Å; S265-I267 PolarHBondContact O-N 3.09Å; I267-I269 HydrophobicContact CG2-CD1 3.99Å
268	T	97.8	Very high	95.9	Very high	32 Å²	32	57.6 Å²	57.6	20%	0.196	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	109.1	170.3	-55	0	0	0	0	107.8	M211 W212 Y326	M211-T268 HydrophobicContact CB-CG2 3.8Å; M211-T268 HydrophobicContact CG-CG2 4.37Å; M211-T268 HydrophobicContact SD-CG2 4.32Å; W212-T268 CarbonylContact O-C 3.6Å; W212-T268 WeakPolarHBondContact O-CA 3.42Å; T268-Y326 HydrophobicContact CG2-CD2 3.91Å; T268-Y326 HydrophobicContact CG2-CE2 4.11Å
269	I	97.8	Very high	95.9	Very high	10 Å²	10	52 Å²	52	5%	0.051	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	139.9	174.1	-49.9	-54	0	0	0	108.2	M211 W212 V214 V227 V252 I261 I267	M211-I269 WeakPolarHBondContact CA-O 3.24Å; W212-I269 HydrophobicContact CD2-CB 4.04Å; W212-I269 HydrophobicContact CD2-CG2 4.35Å; W212-I269 HydrophobicContact CG-CB 4.37Å; W212-I269 HydrophobicContact CH2-CG2 3.85Å; W212-I269 HydrophobicContact CZ2-CB 3.91Å; W212-I269 HydrophobicContact CZ2-CG2 3.34Å; W212-I269 PolarHBondContact N-O 3.24Å; W212-I269 VanDerWaalsContact N-O 3.17Å; W212-I269 PolarHBondContact O-N 3.33Å; V214-I269 HydrophobicContact CG1-CG1 4.14Å; V214-I269 HydrophobicContact CG2-CD1 3.84Å; V214-I269 HydrophobicContact CG2-CG1 3.97Å; V227-I269 HydrophobicContact CB-CD1 4.5Å; V227-I269 HydrophobicContact CG1-CD1 3.89Å; V227-I269 HydrophobicContact CG1-CG1 4.18Å; V227-I269 HydrophobicContact CG2-CD1 4.04Å; V227-I269 HydrophobicContact CG2-CG1 4.46Å; V227-I269 HydrophobicContact CG2-CG2 3.93Å; V252-I269 HydrophobicContact CB-CG2 4.32Å; V252-I269 HydrophobicContact CG1-CG2 3.98Å; I261-I269 HydrophobicContact CD1-CD1 4.22Å; I261-I269 HydrophobicContact CG2-CD1 4.26Å; I267-I269 HydrophobicContact CG2-CD1 3.99Å
270	V	97.6	Very high	96	Very high	45 Å²	45	53.5 Å²	53.5	27%	0.273	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.2	-173.9	-173.5	0	0	0	0	108.2	C209 M211	C209-V270 HydrophobicContact CB-CG1 3.62Å; M211-V270 HydrophobicContact CG-CG1 4.49Å; M211-V270 HydrophobicContact CG-CG2 4.4Å
271	H	97.7	Very high	95.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120	163.5	165.6	61.3	0	0	0	107.5	C209 L210 W212 I250 N251 V252 S277	C209-H271 CarbonylContact C-O 3.56Å; C209-H271 WeakPolarHBondContact CA-O 3.1Å; C209-H271 WeakPolarHBondContact CB-O 2.94Å; L210-H271 HydrophobicContact CB-CB 4.27Å; L210-H271 PolarHBondContact N-O 2.89Å; L210-H271 PolarHBondContact O-N 3.29Å; W212-H271 HydrophobicContact CZ3-CB 4.31Å; I250-H271 HydrophobicContact CG2-CB 3.71Å; I250-H271 VanDerWaalsContact CG2-CD2 3.47Å; I250-H271 WeakPolarHBondContact CG2-CD2 3Å; I250-H271 VanDerWaalsContact CG2-ND1 3.33Å; I250-H271 WeakPolarHBondContact CG2-ND1 3.37Å; N251-H271 PolarHBondContact O-ND1 3.15Å; V252-H271 HydrophobicContact CG1-CB 4.46Å; H271-S277 PolarHBondContact CE1-OG 3.33Å; H271-S277 PolarHBondContact NE2-OG 3.08Å
272	E	96.9	Very high	95.7	Very high	67 Å²	67	49.6 Å²	49.6	31%	0.313	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.1	171.7	-178.5	175.6	167.1	0	0	109.4	K207 D274	K207-E272 HydrophobicContact CB-CG 4.31Å; K207-E272 VanDerWaalsContact CD-CD 3.43Å; K207-E272 HydrophobicContact CD-CG 4.23Å; K207-E272 WeakPolarHBondContact CD-OE1 3.43Å; K207-E272 WeakPolarHBondContact CD-OE2 3.32Å; K207-E272 WeakPolarHBondContact CE-OE1 3.35Å; K207-E272 IonicContact NZ-OE1 2.72Å; K207-E272 PolarHBondContact NZ-OE1 3.48Å; K207-E272 IonicContact NZ-OE2 2.77Å; K207-E272 PolarHBondContact NZ-OE2 2.99Å; E272-D274 HydrophobicContact CG-CB 4.34Å; E272-D274 PolarHBondContact O-N 3.07Å
273	I	96.8	Very high	95.6	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.056	23%	0.231	C	C	.	.			trans	-88.7	83.7	176.6	-53.5	175.7	0	0	0	107.4	I201 L208 L210 L279 A358	I201-I273 HydrophobicContact CD1-CD1 4.46Å; I201-I273 HydrophobicContact CG2-CD1 4.3Å; L208-I273 HydrophobicContact CD2-CD1 4.18Å; L208-I273 HydrophobicContact CG-CD1 4.21Å; L208-I273 WeakPolarHBondContact O-CB 3.35Å; L208-I273 PolarHBondContact O-N 3.39Å; L210-I273 HydrophobicContact CB-CD1 4.37Å; I273-L279 HydrophobicContact CD1-CB 4.44Å; I273-L279 HydrophobicContact CG2-CB 4.06Å; I273-A358 HydrophobicContact CB-CB 4.16Å; I273-A358 HydrophobicContact CG2-CB 3.57Å; I273-A358 WeakPolarHBondContact O-CB 3.41Å
274	D	94	Very high	95.6	Very high	50 Å²	50	46.3 Å²	46.3	27%	0.267	25%	0.246	S	C	.	.			trans	-101	-173.2	175.5	58.7	13.9	0	0	0	111.6	E272 D276 S277 Y280	E272-D274 HydrophobicContact CG-CB 4.34Å; E272-D274 PolarHBondContact O-N 3.07Å; D274-D276 PolarHBondContact O-N 3.43Å; D274-D276 PolarHBondContact OD1-N 3.49Å; D274-S277 WeakPolarHBondContact O-CB 3.35Å; D274-S277 PolarHBondContact O-N 3.25Å; D274-S277 VanDerWaalsContact O-N 3.08Å; D274-S277 PolarHBondContact OD1-N 3.48Å; D274-S277 VanDerWaalsContact OD1-N 3.14Å; D274-Y280 WeakPolarHBondContact O-CB 3.49Å; D274-Y280 WeakPolarHBondContact O-CD2 3.27Å; D274-Y280 VanDerWaalsContact O-CG 3.31Å
275	E	94.9	Very high	95.6	Very high	149 Å²	149	49.6 Å²	49.6	70%	0.696	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.9	-177.2	61.9	-172.6	167.1	0	0	114.5	Y280	E275-Y280 HydrophobicContact CB-CE1 4.21Å; E275-Y280 HydrophobicContact CB-CE2 4.46Å
276	D	94.3	Very high	95.5	Very high	143 Å²	143	51.5 Å²	51.5	77%	0.765	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.1	176.6	-68.9	-39.3	0	0	0	112.2	D274	D274-D276 PolarHBondContact O-N 3.43Å; D274-D276 PolarHBondContact OD1-N 3.49Å
277	S	95.6	Very high	95.2	Very high	9 Å²	9	51 Å²	51	6%	0.063	26%	0.26	C	S	.	.	S	Bend	trans	-68.9	135.4	-179.9	179.4	0	0	0	0	112.2	H271 D274 L279 Y280	H271-S277 PolarHBondContact CE1-OG 3.33Å; H271-S277 PolarHBondContact NE2-OG 3.08Å; D274-S277 WeakPolarHBondContact O-CB 3.35Å; D274-S277 PolarHBondContact O-N 3.25Å; D274-S277 VanDerWaalsContact O-N 3.08Å; D274-S277 PolarHBondContact OD1-N 3.48Å; D274-S277 VanDerWaalsContact OD1-N 3.14Å; S277-L279 PolarHBondContact O-N 3.31Å; S277-L279 PolarHBondContact OG-N 3.25Å; S277-L279 VanDerWaalsContact OG-N 3.13Å; S277-Y280 VanDerWaalsContact O-CB 3.31Å; S277-Y280 WeakPolarHBondContact O-CB 3.32Å; S277-Y280 PolarHBondContact O-N 2.82Å; S277-Y280 VanDerWaalsContact O-N 3.1Å
278	P	94.6	Very high	94.9	Very high	32 Å²	32	53.8 Å²	53.8	21%	0.208	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7	172	30.5	-36.4	0	0	0	113.4	L231 I248 I250	L231-P278 HydrophobicContact CB-CG 4.34Å; L231-P278 HydrophobicContact CD1-CB 4.22Å; L231-P278 HydrophobicContact CD1-CG 4.17Å; I248-P278 HydrophobicContact CG2-CB 4Å; I248-P278 HydrophobicContact CG2-CG 4.12Å; I250-P278 HydrophobicContact CG1-CG 4.21Å
279	L	95.2	Very high	94.5	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.016	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	0.5	178.2	-57.4	174.8	0	0	0	112.8	L210 L231 I273 S277 D281 L282 F292 I294	L210-L279 HydrophobicContact CB-CD1 4.39Å; L210-L279 HydrophobicContact CD2-CD1 3.79Å; L231-L279 HydrophobicContact CD1-CD2 3.49Å; L231-L279 VanDerWaalsContact CD1-CD2 3.49Å; L231-L279 HydrophobicContact CD1-CG 4.24Å; I273-L279 HydrophobicContact CD1-CB 4.44Å; I273-L279 HydrophobicContact CG2-CB 4.06Å; S277-L279 PolarHBondContact O-N 3.31Å; S277-L279 PolarHBondContact OG-N 3.25Å; S277-L279 VanDerWaalsContact OG-N 3.13Å; L279-D281 PolarHBondContact O-N 3.37Å; L279-D281 VanDerWaalsContact O-N 3.13Å; L279-L282 HydrophobicContact CD2-CD1 3.63Å; L279-L282 PolarHBondContact O-N 3.3Å; L279-L282 VanDerWaalsContact O-N 3.14Å; L279-F292 HydrophobicContact CD2-CE2 4.29Å; L279-F292 HydrophobicContact CD2-CZ 4.11Å; L279-I294 HydrophobicContact CD1-CD1 4.2Å
280	Y	95.9	Very high	94.1	Very high	41 Å²	41	59.4 Å²	59.4	16%	0.161	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-37	-171.9	-172.5	-127.1	0	0	0	114.2	D274 E275 S277 A358 R359 A362	D274-Y280 WeakPolarHBondContact O-CB 3.49Å; D274-Y280 WeakPolarHBondContact O-CD2 3.27Å; D274-Y280 VanDerWaalsContact O-CG 3.31Å; E275-Y280 HydrophobicContact CB-CE1 4.21Å; E275-Y280 HydrophobicContact CB-CE2 4.46Å; S277-Y280 VanDerWaalsContact O-CB 3.31Å; S277-Y280 WeakPolarHBondContact O-CB 3.32Å; S277-Y280 PolarHBondContact O-N 2.82Å; S277-Y280 VanDerWaalsContact O-N 3.1Å; Y280-A358 HydrophobicContact CD2-CB 3.66Å; Y280-A358 HydrophobicContact CE2-CB 3.99Å; Y280-A358 PolarHBondContact O-N 3.45Å; Y280-R359 HydrophobicContact CD1-CB 3.89Å; Y280-R359 HydrophobicContact CD1-CG 4.45Å; Y280-R359 HydrophobicContact CE1-CB 3.58Å; Y280-R359 HydrophobicContact CE1-CG 3.84Å; Y280-R359 HydrophobicContact CE2-CB 4.28Å; Y280-R359 HydrophobicContact CG-CB 4.38Å; Y280-R359 VanDerWaalsContact CZ-CA 3.46Å; Y280-R359 PolarHBondContact O-N 3.23Å; Y280-R359 VanDerWaalsContact O-N 3.07Å; Y280-A362 WeakPolarHBondContact OH-CB 3.38Å
281	D	93.8	Very high	93.8	Very high	77 Å²	77	61.3 Å²	61.3	41%	0.412	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-3.3	-172.8	-62.5	-9.7	0	0	0	113.7	L279 R359	L279-D281 PolarHBondContact O-N 3.37Å; L279-D281 VanDerWaalsContact O-N 3.13Å; D281-R359 IonicContact OD1-CZ 2.97Å; D281-R359 IonicContact OD1-NE 3.33Å; D281-R359 PolarHBondContact OD1-NE 2.88Å; D281-R359 IonicContact OD1-NH1 2.72Å; D281-R359 PolarHBondContact OD1-NH1 2.85Å; D281-R359 IonicContact OD1-NH2 2.77Å; D281-R359 PolarHBondContact OD1-NH2 2.94Å; D281-R359 IonicContact OD2-CZ 3.91Å; D281-R359 IonicContact OD2-NH1 2.72Å; D281-R359 PolarHBondContact OD2-NH1 3.42Å; D281-R359 IonicContact OD2-NH2 3.19Å; D281-R359 PolarHBondContact OD2-NH2 3.41Å
282	L	93.3	Very high	93.6	Very high	40 Å²	40	62 Å²	62	21%	0.209	32%	0.32	C	S	.	.			trans	-89.6	121	-173.6	-62.6	177.3	0	0	0	110.9	L279 D286 I287 F292 S357	L279-L282 HydrophobicContact CD2-CD1 3.63Å; L279-L282 PolarHBondContact O-N 3.3Å; L279-L282 VanDerWaalsContact O-N 3.14Å; L282-D286 HydrophobicContact CB-CB 4.42Å; L282-D286 HydrophobicContact CD2-CB 3.9Å; L282-I287 HydrophobicContact CB-CG1 4.07Å; L282-I287 HydrophobicContact CD1-CG1 4.4Å; L282-F292 HydrophobicContact CD1-CD1 4.44Å; L282-F292 HydrophobicContact CD1-CE1 3.7Å; L282-F292 HydrophobicContact CD1-CZ 4.21Å; L282-S357 WeakPolarHBondContact O-CA 3.26Å
283	S	94.3	Very high	93.6	Very high	16 Å²	16	59.3 Å²	59.3	11%	0.112	31%	0.308	C	S	.	.			trans	-84.2	174.3	167.7	75.5	0	0	0	0	111.7	Q285 D286 I287	S283-Q285 VanDerWaalsContact C-N 3.26Å; S283-Q285 PolarHBondContact O-N 3.07Å; S283-Q285 PolarHBondContact OG-N 3.46Å; S283-D286 VanDerWaalsContact CB-OD2 3.23Å; S283-D286 WeakPolarHBondContact CB-OD2 3.18Å; S283-D286 PolarHBondContact N-OD2 3.24Å; S283-D286 PolarHBondContact O-N 3.47Å; S283-D286 VanDerWaalsContact O-N 3.17Å; S283-D286 VanDerWaalsContact OG-CG 3.26Å; S283-D286 PolarHBondContact OG-N 2.96Å; S283-D286 PolarHBondContact OG-OD2 3.48Å; S283-I287 PolarHBondContact O-N 3.41Å
284	K	94.1	Very high	93.6	Very high	75 Å²	75	58.8 Å²	58.8	33%	0.326	31%	0.305	S	S	.	.	H	α-helix	trans	-54.5	-43.9	172.2	178.3	176.4	177.6	176	0	112.1	D286 I287 D288 W322 L355	K284-D286 VanDerWaalsContact C-N 3.29Å; K284-D286 PolarHBondContact O-N 3Å; K284-I287 PolarHBondContact O-N 3.27Å; K284-D288 PolarHBondContact O-N 2.91Å; K284-W322 HydrophobicContact CB-CB 4.35Å; K284-W322 HydrophobicContact CB-CD2 3.76Å; K284-W322 HydrophobicContact CB-CE3 4.23Å; K284-W322 HydrophobicContact CB-CG 3.79Å; K284-W322 HydrophobicContact CD-CB 4.07Å; K284-W322 HydrophobicContact CD-CG 4Å; K284-W322 HydrophobicContact CG-CB 3.85Å; K284-W322 HydrophobicContact CG-CD2 4.26Å; K284-W322 HydrophobicContact CG-CG 3.8Å; K284-L355 HydrophobicContact CB-CB 4.44Å; K284-L355 HydrophobicContact CD-CD2 3.71Å; K284-L355 PolarHBondContact N-O 2.93Å; K284-L355 VanDerWaalsContact N-O 3.11Å
285	Q	93.2	Very high	93.8	Very high	147 Å²	147	56.7 Å²	56.7	69%	0.687	29%	0.294	S	S	*	.	H	α-helix	trans	-68.5	-32.3	-178.3	-66.7	-177.2	0.6	0	0	111.9	S283 N289	S283-Q285 VanDerWaalsContact C-N 3.26Å; S283-Q285 PolarHBondContact O-N 3.07Å; S283-Q285 PolarHBondContact OG-N 3.46Å; Q285-N289 PolarHBondContact O-ND2 3.19Å
286	D	93	Very high	93.9	Very high	73 Å²	73	49.6 Å²	49.6	39%	0.39	26%	0.261	S	S	.	.	H	α-helix	trans	-69.8	-43.6	177.2	-58.2	-50.5	0	0	0	110.5	L282 S283 K284 D288 N289 A290	L282-D286 HydrophobicContact CB-CB 4.42Å; L282-D286 HydrophobicContact CD2-CB 3.9Å; S283-D286 VanDerWaalsContact CB-OD2 3.23Å; S283-D286 WeakPolarHBondContact CB-OD2 3.18Å; S283-D286 PolarHBondContact N-OD2 3.24Å; S283-D286 PolarHBondContact O-N 3.47Å; S283-D286 VanDerWaalsContact O-N 3.17Å; S283-D286 VanDerWaalsContact OG-CG 3.26Å; S283-D286 PolarHBondContact OG-N 2.96Å; S283-D286 PolarHBondContact OG-OD2 3.48Å; K284-D286 VanDerWaalsContact C-N 3.29Å; K284-D286 PolarHBondContact O-N 3Å; D286-D288 VanDerWaalsContact C-N 3.33Å; D286-D288 PolarHBondContact O-N 3.48Å; D286-N289 CarbonylContact O-C 3.53Å; D286-N289 PolarHBondContact O-N 3.01Å; D286-N289 VanDerWaalsContact O-N 3.08Å; D286-A290 WeakPolarHBondContact O-CA 3.25Å; D286-A290 WeakPolarHBondContact O-CB 3.12Å; D286-A290 PolarHBondContact O-N 3.31Å
287	I	92	Very high	94.1	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-41	178.2	-69.7	-171.2	0	0	0	111.9	I201 L282 S283 K284 N289 A290 F292 A317 I320 W322	I201-I287 HydrophobicContact CD1-CD1 3.31Å; L282-I287 HydrophobicContact CB-CG1 4.07Å; L282-I287 HydrophobicContact CD1-CG1 4.4Å; S283-I287 PolarHBondContact O-N 3.41Å; K284-I287 PolarHBondContact O-N 3.27Å; I287-N289 PolarHBondContact O-N 3.3Å; I287-N289 VanDerWaalsContact O-N 3.17Å; I287-A290 PolarHBondContact O-N 2.87Å; I287-F292 HydrophobicContact CG1-CZ 4.42Å; I287-A317 WeakPolarHBondContact O-CB 3.49Å; I287-I320 HydrophobicContact CG2-CB 4.42Å; I287-W322 HydrophobicContact CD1-CE3 3.71Å; I287-W322 HydrophobicContact CD1-CZ3 3.54Å; I287-W322 HydrophobicContact CG1-CZ3 4.35Å
288	D	89.2	Confident	94.1	Very high	106 Å²	106	43.1 Å²	43.1	57%	0.567	23%	0.225	S	C	*	.	H	α-helix	trans	-60.7	-26.6	177.7	-71.4	-21.9	0	0	0	112.5	K284 D286	K284-D288 PolarHBondContact O-N 2.91Å; D286-D288 VanDerWaalsContact C-N 3.33Å; D286-D288 PolarHBondContact O-N 3.48Å
289	N	90	Very high	94.1	Very high	129 Å²	129	43.5 Å²	43.5	69%	0.69	22%	0.224	S	C	*	.	H	α-helix	trans	-107.7	-3.5	-179.2	-64.8	-57.6	0	0	0	114	Q285 D286 I287	Q285-N289 PolarHBondContact O-ND2 3.19Å; D286-N289 CarbonylContact O-C 3.53Å; D286-N289 PolarHBondContact O-N 3.01Å; D286-N289 VanDerWaalsContact O-N 3.08Å; I287-N289 PolarHBondContact O-N 3.3Å; I287-N289 VanDerWaalsContact O-N 3.17Å
290	A	89.5	Confident	94.1	Very high	30 Å²	30	43.6 Å²	43.6	25%	0.248	23%	0.226	C	C	.	.			trans	-79.9	148.4	-172.2	0	0	0	0	0	112.1	D286 I287 F292 A317	D286-A290 WeakPolarHBondContact O-CA 3.25Å; D286-A290 WeakPolarHBondContact O-CB 3.12Å; D286-A290 PolarHBondContact O-N 3.31Å; I287-A290 PolarHBondContact O-N 2.87Å; A290-F292 HydrophobicContact CB-CD1 3.55Å; A290-F292 HydrophobicContact CB-CE1 3.42Å; A290-F292 VanDerWaalsContact CB-CE1 3.42Å; A290-A317 HydrophobicContact CB-CB 4.33Å; A290-A317 VanDerWaalsContact O-CB 3.29Å; A290-A317 WeakPolarHBondContact O-CB 3.34Å
291	D	90.9	Very high	94	Very high	85 Å²	85	43.4 Å²	43.4	46%	0.455	23%	0.227	S	C	.	.			trans	-113.4	82.8	173.7	-171.9	29	0	0	0	110.1	R44	R44-D291 VanDerWaalsContact CB-OD1 3.29Å; R44-D291 WeakPolarHBondContact CB-OD1 3.3Å; R44-D291 WeakPolarHBondContact CD-OD2 3.46Å
292	F	94.3	Very high	94	Very high	15 Å²	15	40.6 Å²	40.6	7%	0.066	21%	0.213	C	C	.	.			trans	-142.4	162.6	170.5	66	-99.9	0	0	0	111	L231 L232 K233 L279 L282 I287 A290 I294 A317 I320	L231-F292 HydrophobicContact CD1-CD2 4.16Å; L231-F292 HydrophobicContact CD1-CG 4.38Å; L231-F292 HydrophobicContact CD2-CB 4.27Å; L231-F292 HydrophobicContact CG-CB 4.43Å; L231-F292 HydrophobicContact CG-CD2 4.35Å; L232-F292 WeakPolarHBondContact O-CA 3.35Å; K233-F292 HydrophobicContact CB-CB 4.05Å; L279-F292 HydrophobicContact CD2-CE2 4.29Å; L279-F292 HydrophobicContact CD2-CZ 4.11Å; L282-F292 HydrophobicContact CD1-CD1 4.44Å; L282-F292 HydrophobicContact CD1-CE1 3.7Å; L282-F292 HydrophobicContact CD1-CZ 4.21Å; I287-F292 HydrophobicContact CG1-CZ 4.42Å; A290-F292 HydrophobicContact CB-CD1 3.55Å; A290-F292 HydrophobicContact CB-CE1 3.42Å; A290-F292 VanDerWaalsContact CB-CE1 3.42Å; F292-I294 HydrophobicContact CD2-CG1 3.97Å; F292-I294 HydrophobicContact CE2-CD1 3.91Å; F292-I294 HydrophobicContact CE2-CG1 3.85Å; F292-A317 HydrophobicContact CD1-CB 4.48Å; F292-A317 HydrophobicContact CE1-CB 4.17Å; F292-A317 HydrophobicContact CE2-CB 4.42Å; F292-A317 HydrophobicContact CZ-CB 4.14Å; F292-A317 PolarHBondContact O-N 3.1Å; F292-I320 HydrophobicContact CE2-CD1 3.65Å; F292-I320 HydrophobicContact CZ-CD1 4.01Å
293	E	96.4	Very high	93.9	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.5	175.2	176.3	179.2	174.7	0	0	109.6	R46 F47 V48 L232 V295 S314 L316	R46-E293 VanDerWaalsContact CG-OE1 3.24Å; R46-E293 WeakPolarHBondContact CG-OE1 3.33Å; F47-E293 WeakPolarHBondContact CB-OE2 3.46Å; F47-E293 PolarHBondContact N-OE2 3.27Å; V48-E293 PolarHBondContact N-OE1 3.24Å; L232-E293 HydrophobicContact CB-CB 4.28Å; L232-E293 WeakPolarHBondContact CB-O 3.19Å; L232-E293 PolarHBondContact N-O 3.07Å; L232-E293 PolarHBondContact O-N 3.17Å; E293-V295 HydrophobicContact CG-CG2 4.21Å; E293-S314 WeakPolarHBondContact OE1-CB 3.21Å; E293-S314 PolarHBondContact OE1-OG 2.89Å; E293-L316 HydrophobicContact CB-CD2 4Å; E293-L316 HydrophobicContact CG-CD2 4.06Å
294	I	97.3	Very high	93.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.3	171.9	-60.3	-176.9	0	0	0	108.1	L210 Q230 I250 L279 F292 V296 S314 Y315 I320	L210-I294 HydrophobicContact CD2-CD1 3.4Å; L210-I294 VanDerWaalsContact CD2-CD1 3.4Å; Q230-I294 CarbonylContact O-C 3.55Å; Q230-I294 WeakPolarHBondContact O-CA 3.29Å; I250-I294 HydrophobicContact CD1-CD1 4.06Å; I250-I294 HydrophobicContact CD1-CG1 4.13Å; I250-I294 HydrophobicContact CD1-CG2 3.73Å; L279-I294 HydrophobicContact CD1-CD1 4.2Å; F292-I294 HydrophobicContact CD2-CG1 3.97Å; F292-I294 HydrophobicContact CE2-CD1 3.91Å; F292-I294 HydrophobicContact CE2-CG1 3.85Å; I294-V296 HydrophobicContact CG2-CG1 4.18Å; I294-S314 CarbonylContact O-C 3.19Å; I294-S314 WeakPolarHBondContact O-CA 3.32Å; I294-Y315 PolarHBondContact N-O 2.89Å; I294-Y315 PolarHBondContact O-N 3.15Å; I294-I320 HydrophobicContact CD1-CD1 3.71Å; I294-I320 HydrophobicContact CG1-CD1 4.38Å
295	V	97.8	Very high	93.7	Very high	6 Å²	6	46.8 Å²	46.8	4%	0.036	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.3	173.4	176.7	0	0	0	0	108.9	V48 A229 Q230 L232 E293 I297	V48-V295 HydrophobicContact CB-CG2 4.16Å; V48-V295 HydrophobicContact CG2-CG1 4.16Å; V48-V295 HydrophobicContact CG2-CG2 3.96Å; A229-V295 CarbonylContact C-O 3.48Å; A229-V295 VanDerWaalsContact CA-O 3.31Å; A229-V295 WeakPolarHBondContact CA-O 3.41Å; Q230-V295 PolarHBondContact N-O 3.5Å; Q230-V295 PolarHBondContact O-N 3.07Å; L232-V295 HydrophobicContact CD1-CB 4.43Å; L232-V295 HydrophobicContact CD1-CG2 3.36Å; L232-V295 HydrophobicContact CG-CG2 3.96Å; E293-V295 HydrophobicContact CG-CG2 4.21Å; V295-I297 HydrophobicContact CG1-CG1 4.2Å
296	V	97.9	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.4	177.7	-63.7	0	0	0	0	109.8	F195 W212 A229 I294 R312 S313 Y315	F195-V296 HydrophobicContact CD1-CB 4.47Å; F195-V296 HydrophobicContact CD1-CG2 3.55Å; F195-V296 HydrophobicContact CE1-CB 4.08Å; F195-V296 HydrophobicContact CE1-CG2 3.52Å; F195-V296 HydrophobicContact CG-CG2 4.29Å; F195-V296 HydrophobicContact CZ-CG2 4.22Å; W212-V296 HydrophobicContact CD2-CG1 3.82Å; W212-V296 HydrophobicContact CE3-CG1 4.35Å; W212-V296 HydrophobicContact CG-CG1 4.2Å; W212-V296 HydrophobicContact CH2-CG1 4.34Å; W212-V296 HydrophobicContact CZ2-CB 4.47Å; W212-V296 HydrophobicContact CZ2-CG1 3.8Å; A229-V296 HydrophobicContact CB-CG1 4.32Å; I294-V296 HydrophobicContact CG2-CG1 4.18Å; V296-R312 WeakPolarHBondContact O-CA 3.31Å; V296-S313 PolarHBondContact N-O 3.43Å; V296-S313 PolarHBondContact O-N 3.4Å; V296-Y315 HydrophobicContact CB-CE2 4.43Å; V296-Y315 HydrophobicContact CG1-CD2 4.05Å; V296-Y315 HydrophobicContact CG1-CE2 3.82Å; V296-Y315 HydrophobicContact CG2-CD2 4.36Å; V296-Y315 HydrophobicContact CG2-CE2 3.7Å
297	I	97.3	Very high	93.7	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.077	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.7	-174.4	-50.8	-179.1	0	0	0	108.1	V227 R228 V295 E299 Q310 C311 R312	V227-I297 WeakPolarHBondContact CA-O 3.11Å; R228-I297 HydrophobicContact CB-CB 4.27Å; R228-I297 PolarHBondContact N-O 3.49Å; R228-I297 PolarHBondContact O-N 3.02Å; V295-I297 HydrophobicContact CG1-CG1 4.2Å; I297-E299 HydrophobicContact CG2-CG 3.99Å; I297-Q310 HydrophobicContact CG2-CG 3.52Å; I297-C311 WeakPolarHBondContact CA-O 3.18Å; I297-R312 HydrophobicContact CG1-CG 4.23Å; I297-R312 HydrophobicContact CG2-CG 4.29Å
298	L	96.5	Very high	93.7	Very high	1 Å²	1	48 Å²	48	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.5	171.4	173.9	64.9	0	0	0	107.8	L193 F195 V214 L222 V227 I261 L263 C311	L193-L298 HydrophobicContact CB-CD2 4.37Å; L193-L298 HydrophobicContact CD1-CD2 4.09Å; L193-L298 HydrophobicContact CD2-CD2 4.29Å; L193-L298 HydrophobicContact CG-CD2 4.48Å; F195-L298 HydrophobicContact CE1-CB 4.33Å; F195-L298 HydrophobicContact CZ-CB 3.69Å; V214-L298 HydrophobicContact CB-CD2 4.43Å; L222-L298 HydrophobicContact CD2-CD1 4.19Å; L222-L298 HydrophobicContact CD2-CD2 4.15Å; L222-L298 HydrophobicContact CD2-CG 4.06Å; V227-L298 HydrophobicContact CG1-CD1 3.69Å; I261-L298 HydrophobicContact CD1-CD1 3.95Å; L263-L298 HydrophobicContact CD2-CD2 3.99Å; L298-C311 PolarHBondContact N-O 3.17Å; L298-C311 PolarHBondContact O-N 3.09Å
299	E	95	Very high	93.9	Very high	40 Å²	40	43.2 Å²	43.2	19%	0.187	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152	178.3	-75.7	174.8	-160.9	0	0	110	A225 H226 R228 I297 T309 Q310	A225-E299 CarbonylContact C-O 3.55Å; A225-E299 VanDerWaalsContact CA-O 3.22Å; A225-E299 WeakPolarHBondContact CA-O 3.2Å; H226-E299 WeakPolarHBondContact CE1-CB 3.25Å; H226-E299 IonicContact CE1-OE2 3.33Å; H226-E299 PolarHBondContact N-O 3Å; H226-E299 IonicContact NE2-OE2 2.89Å; H226-E299 PolarHBondContact NE2-OE2 3.37Å; H226-E299 PolarHBondContact O-N 2.71Å; R228-E299 IonicContact NH1-OE1 3.42Å; I297-E299 HydrophobicContact CG2-CG 3.99Å; E299-T309 WeakPolarHBondContact CA-O 3.31Å; E299-Q310 HydrophobicContact CG-CB 3.99Å; E299-Q310 HydrophobicContact CG-CG 3.7Å; E299-Q310 PolarHBondContact OE1-NE2 3.03Å
300	G	94.5	Very high	94.1	Very high	5 Å²	5	40 Å²	40	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170	175.4	173.4	0	0	0	0	0	111.5	V223 T308 T309	V223-G300 CarbonylContact O-C 3.49Å; V223-G300 WeakPolarHBondContact O-CA 3.4Å; G300-T308 CarbonylContact O-C 3.56Å; G300-T308 WeakPolarHBondContact O-CA 3.41Å; G300-T309 PolarHBondContact N-O 3.17Å; G300-T309 VanDerWaalsContact N-O 3.17Å; G300-T309 PolarHBondContact O-N 2.85Å
301	M	94.1	Very high	94.3	Very high	38 Å²	38	39.1 Å²	39.1	19%	0.187	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	139.4	-178.7	-66.9	-174	-66.9	0	0	112.2	V223 E224 E303 M307 T308	V223-M301 HydrophobicContact CB-CB 4.25Å; V223-M301 HydrophobicContact CG1-CE 4.04Å; V223-M301 PolarHBondContact N-O 2.88Å; V223-M301 PolarHBondContact O-N 2.86Å; E224-M301 HydrophobicContact CB-CE 4.03Å; E224-M301 HydrophobicContact CG-CE 3.8Å; E224-M301 WeakPolarHBondContact OE2-CE 3.49Å; M301-E303 PolarHBondContact O-N 3.43Å; M301-M307 WeakPolarHBondContact CA-O 3.33Å; M301-T308 HydrophobicContact CG-CG2 3.81Å
302	V	93	Very high	94.6	Very high	18 Å²	18	37.2 Å²	37.2	11%	0.109	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	120.8	172.6	-174.1	0	0	0	0	109.3	P186 R189 A304 T305 A306 M307 T309	P186-V302 HydrophobicContact CB-CG2 3.65Å; R189-V302 HydrophobicContact CB-CG2 3.97Å; R189-V302 HydrophobicContact CG-CG1 4.49Å; R189-V302 HydrophobicContact CG-CG2 3.75Å; V302-A304 VanDerWaalsContact C-N 3.26Å; V302-A304 PolarHBondContact O-N 3.47Å; V302-A304 VanDerWaalsContact O-N 3.1Å; V302-T305 PolarHBondContact O-N 3.06Å; V302-T305 VanDerWaalsContact O-N 3.13Å; V302-A306 WeakPolarHBondContact O-CA 3.04Å; V302-A306 PolarHBondContact O-N 3.35Å; V302-M307 PolarHBondContact N-O 3.12Å; V302-T309 HydrophobicContact CG2-CG2 4.25Å
303	E	92.6	Very high	94.7	Very high	100 Å²	100	36.6 Å²	36.6	47%	0.467	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-42.4	-175.8	-176	178.8	-163.3	0	0	114.4	S220 H221 V223 M301	S220-E303 WeakPolarHBondContact CA-OE2 3.12Å; S220-E303 WeakPolarHBondContact CB-OE2 3.09Å; H221-E303 IonicContact CD2-OE1 3.93Å; H221-E303 IonicContact CD2-OE2 3.85Å; H221-E303 PolarHBondContact N-OE2 3.32Å; V223-E303 HydrophobicContact CG2-CB 4.31Å; M301-E303 PolarHBondContact O-N 3.43Å
304	A	91.6	Very high	94.7	Very high	96 Å²	96	36.1 Å²	36.1	79%	0.793	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-27.8	-175.5	0	0	0	0	0	114.8	V302	V302-A304 VanDerWaalsContact C-N 3.26Å; V302-A304 PolarHBondContact O-N 3.47Å; V302-A304 VanDerWaalsContact O-N 3.1Å
305	T	91.6	Very high	94.8	Very high	65 Å²	65	36.1 Å²	36.1	40%	0.399	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-9.4	-174	61.1	0	0	0	0	113.5	V302 M307	V302-T305 PolarHBondContact O-N 3.06Å; V302-T305 VanDerWaalsContact O-N 3.13Å; T305-M307 PolarHBondContact O-N 2.9Å; T305-M307 PolarHBondContact OG1-N 3.49Å
306	A	93	Very high	94.6	Very high	68 Å²	68	37.1 Å²	37.1	56%	0.562	22%	0.219	S	C	*	.			trans	52.5	20.8	-170.7	0	0	0	0	0	113.7	V302	V302-A306 WeakPolarHBondContact O-CA 3.04Å; V302-A306 PolarHBondContact O-N 3.35Å
307	M	92.8	Very high	94.5	Very high	69 Å²	69	37.4 Å²	37.4	34%	0.34	22%	0.221	S	C	.	.			trans	-88.1	134	176.8	-65.3	-179.4	73.3	0	0	110.1	A184 P186 M301 V302 T305	A184-M307 HydrophobicContact CB-SD 3.78Å; P186-M307 HydrophobicContact CG-CB 4.14Å; M301-M307 WeakPolarHBondContact CA-O 3.33Å; V302-M307 PolarHBondContact N-O 3.12Å; T305-M307 PolarHBondContact O-N 2.9Å; T305-M307 PolarHBondContact OG1-N 3.49Å
308	T	93.7	Very high	94.3	Very high	110 Å²	110	42 Å²	42	68%	0.675	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	134	175.7	54.1	0	0	0	0	111	P186 G300 M301	P186-T308 WeakPolarHBondContact CG-O 3.34Å; G300-T308 CarbonylContact O-C 3.56Å; G300-T308 WeakPolarHBondContact O-CA 3.41Å; M301-T308 HydrophobicContact CG-CG2 3.81Å
309	T	93.3	Very high	94.3	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.6	174.8	-153.4	0	0	0	0	109.2	P186 R189 N190 L193 L222 E299 G300 V302	P186-T309 PolarHBondContact O-OG1 3.26Å; R189-T309 HydrophobicContact CG-CG2 4.29Å; N190-T309 PolarHBondContact OD1-OG1 2.83Å; L193-T309 HydrophobicContact CD1-CG2 4.18Å; L222-T309 HydrophobicContact CD1-CG2 3.86Å; E299-T309 WeakPolarHBondContact CA-O 3.31Å; G300-T309 PolarHBondContact N-O 3.17Å; G300-T309 VanDerWaalsContact N-O 3.17Å; G300-T309 PolarHBondContact O-N 2.85Å; V302-T309 HydrophobicContact CG2-CG2 4.25Å
310	Q	93.5	Very high	94.4	Very high	61 Å²	61	42 Å²	42	29%	0.285	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.2	178.1	-175.7	-171.6	79.9	0	0	108.6	N190 I297 E299 R312	N190-Q310 PolarHBondContact ND2-O 3.07Å; N190-Q310 PolarHBondContact OD1-O 2.82Å; I297-Q310 HydrophobicContact CG2-CG 3.52Å; E299-Q310 HydrophobicContact CG-CB 3.99Å; E299-Q310 HydrophobicContact CG-CG 3.7Å; E299-Q310 PolarHBondContact OE1-NE2 3.03Å; Q310-R312 HydrophobicContact CG-CG 4.18Å
311	C	94.4	Very high	94.5	Very high	12 Å²	12	44 Å²	44	8%	0.081	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.7	171.5	-163.2	0	0	0	0	109.3	L193 F195 I297 L298	L193-C311 HydrophobicContact CB-CB 4.08Å; L193-C311 HydrophobicContact CD1-CB 4.04Å; F195-C311 HydrophobicContact CE2-CB 4.06Å; I297-C311 WeakPolarHBondContact CA-O 3.18Å; L298-C311 PolarHBondContact N-O 3.17Å; L298-C311 PolarHBondContact O-N 3.09Å
312	R	95.9	Very high	94.7	Very high	45 Å²	45	43 Å²	43	17%	0.17	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	151	-176.3	-60.6	178.7	-62.7	-80.4	-9.8	109.9	V48 G52 V296 I297 Q310	V48-R312 HydrophobicContact CG1-CB 4.29Å; G52-R312 WeakPolarHBondContact CA-O 3.22Å; G52-R312 PolarHBondContact N-O 3.32Å; G52-R312 PolarHBondContact O-NE 2.96Å; G52-R312 PolarHBondContact O-NH2 3.11Å; V296-R312 WeakPolarHBondContact O-CA 3.31Å; I297-R312 HydrophobicContact CG1-CG 4.23Å; I297-R312 HydrophobicContact CG2-CG 4.29Å; Q310-R312 HydrophobicContact CG-CG 4.18Å
313	S	97	Very high	94.8	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	179.6	165.2	-159	0	0	0	0	109	K50 V296	K50-S313 PolarHBondContact O-OG 3.03Å; V296-S313 PolarHBondContact N-O 3.43Å; V296-S313 PolarHBondContact O-N 3.4Å
314	S	97.3	Very high	95.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	157	175.9	67.9	0	0	0	0	112.6	R46 V48 K50 E293 I294	R46-S314 WeakPolarHBondContact CD-OG 3.49Å; R46-S314 PolarHBondContact NH1-O 3.34Å; R46-S314 PolarHBondContact NH1-OG 2.69Å; V48-S314 VanDerWaalsContact O-CB 3.29Å; V48-S314 WeakPolarHBondContact O-CB 3.38Å; V48-S314 PolarHBondContact O-OG 3.16Å; K50-S314 VanDerWaalsContact CD-O 3.3Å; K50-S314 WeakPolarHBondContact CD-O 3.23Å; K50-S314 WeakPolarHBondContact CE-O 3.38Å; K50-S314 PolarHBondContact NZ-O 2.84Å; E293-S314 WeakPolarHBondContact OE1-CB 3.21Å; E293-S314 PolarHBondContact OE1-OG 2.89Å; I294-S314 CarbonylContact O-C 3.19Å; I294-S314 WeakPolarHBondContact O-CA 3.32Å
315	Y	97.4	Very high	95.4	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.4	173	-56.9	-74.5	0	0	0	108.3	K50 S196 H197 N198 A199 W212 I294 V296 E319	K50-Y315 VanDerWaalsContact NZ-CD1 3.33Å; S196-Y315 VanDerWaalsContact O-CE1 3.23Å; S196-Y315 WeakPolarHBondContact O-CE1 3.26Å; S196-Y315 PolarHBondContact O-OH 3.35Å; S196-Y315 PolarHBondContact OG-OH 2.88Å; S196-Y315 VanDerWaalsContact OG-OH 3.11Å; H197-Y315 WeakPolarHBondContact O-CE1 3.43Å; N198-Y315 VanDerWaalsContact C-CE1 3.45Å; A199-Y315 HydrophobicContact CB-CD1 3.9Å; A199-Y315 HydrophobicContact CB-CD2 3.96Å; A199-Y315 HydrophobicContact CB-CE1 4.24Å; A199-Y315 HydrophobicContact CB-CE2 4.26Å; A199-Y315 HydrophobicContact CB-CG 3.77Å; W212-Y315 HydrophobicContact CB-CE2 3.75Å; W212-Y315 HydrophobicContact CG-CE2 4.03Å; I294-Y315 PolarHBondContact N-O 2.89Å; I294-Y315 PolarHBondContact O-N 3.15Å; V296-Y315 HydrophobicContact CB-CE2 4.43Å; V296-Y315 HydrophobicContact CG1-CD2 4.05Å; V296-Y315 HydrophobicContact CG1-CE2 3.82Å; V296-Y315 HydrophobicContact CG2-CD2 4.36Å; V296-Y315 HydrophobicContact CG2-CE2 3.7Å; Y315-E319 WeakPolarHBondContact CA-OE2 3.38Å; Y315-E319 HydrophobicContact CD1-CB 4.47Å
316	L	95.6	Very high	95.7	Very high	27 Å²	27	37.3 Å²	37.3	14%	0.141	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	161.4	165.7	-61.5	178	0	0	0	109.3	R46 E293 N318 E319	R46-L316 HydrophobicContact CB-CD2 4.12Å; R46-L316 HydrophobicContact CG-CD2 4.05Å; E293-L316 HydrophobicContact CB-CD2 4Å; E293-L316 HydrophobicContact CG-CD2 4.06Å; L316-N318 VanDerWaalsContact CB-OD1 3.23Å; L316-N318 WeakPolarHBondContact CB-OD1 3.24Å; L316-N318 PolarHBondContact O-N 2.92Å; L316-E319 HydrophobicContact CB-CG 4.2Å; L316-E319 PolarHBondContact N-OE2 3.41Å; L316-E319 WeakPolarHBondContact O-CA 3.33Å; L316-E319 WeakPolarHBondContact O-CB 3.49Å; L316-E319 PolarHBondContact O-N 3.04Å
317	A	94.8	Very high	95.9	Very high	6 Å²	6	36.5 Å²	36.5	5%	0.05	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-51.5	-41	178.1	0	0	0	0	0	113	I287 A290 F292 E319 I320	I287-A317 WeakPolarHBondContact O-CB 3.49Å; A290-A317 HydrophobicContact CB-CB 4.33Å; A290-A317 VanDerWaalsContact O-CB 3.29Å; A290-A317 WeakPolarHBondContact O-CB 3.34Å; F292-A317 HydrophobicContact CD1-CB 4.48Å; F292-A317 HydrophobicContact CE1-CB 4.17Å; F292-A317 HydrophobicContact CE2-CB 4.42Å; F292-A317 HydrophobicContact CZ-CB 4.14Å; F292-A317 PolarHBondContact O-N 3.1Å; A317-E319 PolarHBondContact O-N 3.48Å; A317-I320 WeakPolarHBondContact O-CB 3.34Å; A317-I320 PolarHBondContact O-N 3.42Å
318	N	93.7	Very high	96.1	Very high	112 Å²	112	37.1 Å²	37.1	60%	0.599	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-73	-5.3	176.1	67.8	-7.9	0	0	0	115.4	L316	L316-N318 VanDerWaalsContact CB-OD1 3.23Å; L316-N318 WeakPolarHBondContact CB-OD1 3.24Å; L316-N318 PolarHBondContact O-N 2.92Å
319	E	96.4	Very high	96.2	Very high	34 Å²	34	32.2 Å²	32.2	16%	0.159	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-100.1	5	173.4	-58.7	-174.8	144.9	0	0	112.3	R46 K50 N198 A199 Y315 L316 A317	R46-E319 IonicContact CZ-OE1 2.59Å; R46-E319 IonicContact CZ-OE2 2.73Å; R46-E319 IonicContact NH1-OE1 3.95Å; R46-E319 IonicContact NH1-OE2 3.79Å; R46-E319 PolarHBondContact NH1-OE2 2.82Å; R46-E319 IonicContact NH2-OE1 3.31Å; R46-E319 PolarHBondContact NH2-OE1 3.02Å; R46-E319 IonicContact NH2-OE2 3.08Å; R46-E319 PolarHBondContact NH2-OE2 3.18Å; R46-E319 VanDerWaalsContact NH2-OE2 3.12Å; K50-E319 IonicContact NZ-OE1 2.64Å; K50-E319 IonicContact NZ-OE2 3.59Å; K50-E319 PolarHBondContact NZ-OE2 3.26Å; N198-E319 VanDerWaalsContact CA-O 3.28Å; N198-E319 WeakPolarHBondContact CA-O 3.49Å; N198-E319 WeakPolarHBondContact CB-O 3.41Å; A199-E319 PolarHBondContact N-O 3.11Å; Y315-E319 WeakPolarHBondContact CA-OE2 3.38Å; Y315-E319 HydrophobicContact CD1-CB 4.47Å; L316-E319 HydrophobicContact CB-CG 4.2Å; L316-E319 PolarHBondContact N-OE2 3.41Å; L316-E319 WeakPolarHBondContact O-CA 3.33Å; L316-E319 WeakPolarHBondContact O-CB 3.49Å; L316-E319 PolarHBondContact O-N 3.04Å; A317-E319 PolarHBondContact O-N 3.48Å
320	I	97	Very high	96.3	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.036	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	112.8	176.4	-55.2	174.6	0	0	0	108.2	A199 I201 L210 I287 F292 I294 A317	A199-I320 HydrophobicContact CB-CG1 4.27Å; A199-I320 CarbonylContact O-C 3.59Å; A199-I320 WeakPolarHBondContact O-CA 3.23Å; I201-I320 HydrophobicContact CD1-CG2 3.63Å; I201-I320 HydrophobicContact CG1-CG2 3.77Å; L210-I320 HydrophobicContact CD1-CG2 3.9Å; I287-I320 HydrophobicContact CG2-CB 4.42Å; F292-I320 HydrophobicContact CE2-CD1 3.65Å; F292-I320 HydrophobicContact CZ-CD1 4.01Å; I294-I320 HydrophobicContact CD1-CD1 3.71Å; I294-I320 HydrophobicContact CG1-CD1 4.38Å; A317-I320 WeakPolarHBondContact O-CB 3.34Å; A317-I320 PolarHBondContact O-N 3.42Å
321	L	97	Very high	96.4	Very high	45 Å²	45	36.4 Å²	36.4	24%	0.236	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	111	-178.3	-56.8	179.9	0	0	0	110.7	N198 A199 V200 I201 H324	N198-L321 HydrophobicContact CB-CD1 4.02Å; N198-L321 HydrophobicContact CB-CG 4.08Å; N198-L321 WeakPolarHBondContact ND2-CD1 3.48Å; A199-L321 PolarHBondContact O-N 2.9Å; V200-L321 VanDerWaalsContact CA-O 3.29Å; V200-L321 WeakPolarHBondContact CA-O 3.28Å; V200-L321 HydrophobicContact CG1-CB 4.3Å; I201-L321 PolarHBondContact N-O 3.08Å; L321-H324 HydrophobicContact CB-CB 3.86Å
322	W	97	Very high	96.4	Very high	17 Å²	17	43 Å²	43	6%	0.064	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.2	176.2	-165.2	-73.8	0	0	0	112.1	I201 L208 K284 I287 H324 P354 C356	I201-W322 HydrophobicContact CB-CD2 4.24Å; I201-W322 HydrophobicContact CB-CE3 4.01Å; I201-W322 HydrophobicContact CB-CZ3 4.45Å; I201-W322 HydrophobicContact CD1-CE3 3.66Å; I201-W322 HydrophobicContact CD1-CZ3 3.72Å; I201-W322 HydrophobicContact CG1-CE3 4.44Å; I201-W322 HydrophobicContact CG2-CD2 4Å; I201-W322 HydrophobicContact CG2-CE3 3.85Å; I201-W322 HydrophobicContact CG2-CH2 4.11Å; I201-W322 HydrophobicContact CG2-CZ2 4.22Å; I201-W322 HydrophobicContact CG2-CZ3 3.91Å; L208-W322 HydrophobicContact CD1-CZ2 4.36Å; L208-W322 HydrophobicContact CD2-CH2 3.75Å; L208-W322 HydrophobicContact CD2-CZ2 3.88Å; K284-W322 HydrophobicContact CB-CB 4.35Å; K284-W322 HydrophobicContact CB-CD2 3.76Å; K284-W322 HydrophobicContact CB-CE3 4.23Å; K284-W322 HydrophobicContact CB-CG 3.79Å; K284-W322 HydrophobicContact CD-CB 4.07Å; K284-W322 HydrophobicContact CD-CG 4Å; K284-W322 HydrophobicContact CG-CB 3.85Å; K284-W322 HydrophobicContact CG-CD2 4.26Å; K284-W322 HydrophobicContact CG-CG 3.8Å; I287-W322 HydrophobicContact CD1-CE3 3.71Å; I287-W322 HydrophobicContact CD1-CZ3 3.54Å; I287-W322 HydrophobicContact CG1-CZ3 4.35Å; W322-H324 PolarHBondContact O-CD2 3.38Å; W322-P354 PolarHBondContact NE1-O 3.41Å; W322-C356 WeakPolarHBondContact CZ2-O 3.19Å
323	G	96.3	Very high	96.3	Very high	8 Å²	8	44.2 Å²	44.2	8%	0.082	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	27.9	-179.9	0	0	0	0	0	113	I201 E349 V350	I201-G323 WeakPolarHBondContact O-CA 3.27Å; I201-G323 PolarHBondContact O-N 2.73Å; G323-E349 CarbonylContact O-C 3.56Å; G323-V350 PolarHBondContact O-N 3.36Å
324	H	97.8	Very high	96	Very high	31 Å²	31	53.5 Å²	53.5	14%	0.144	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	152.2	176.7	-79	-123.4	0	0	0	111.4	V200 A202 L321 W322 T347 Y348 E349	V200-H324 HydrophobicContact CB-CB 4.07Å; V200-H324 WeakPolarHBondContact CB-O 3.39Å; V200-H324 HydrophobicContact CG1-CB 3.75Å; V200-H324 WeakPolarHBondContact CG2-O 3.49Å; A202-H324 WeakPolarHBondContact CB-O 3.28Å; L321-H324 HydrophobicContact CB-CB 3.86Å; W322-H324 PolarHBondContact O-CD2 3.38Å; H324-T347 PolarHBondContact ND1-OG1 3.41Å; H324-Y348 CarbonylContact C-O 3.56Å; H324-Y348 WeakPolarHBondContact CA-O 3.47Å; H324-E349 VanDerWaalsContact CE1-CG 3.49Å; H324-E349 WeakPolarHBondContact CE1-CG 3.39Å; H324-E349 VanDerWaalsContact NE2-CG 3.34Å; H324-E349 WeakPolarHBondContact NE2-CG 3.49Å; H324-E349 IonicContact NE2-OE1 3.47Å
325	R	97.7	Very high	95.7	Very high	105 Å²	105	61.9 Å²	61.9	40%	0.396	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.4	168.5	-76.3	178.1	63.1	176.6	-1.4	110.1	A202 T347 Y348 V350	A202-R325 HydrophobicContact CB-CG 3.85Å; R325-T347 CarbonylContact O-C 3.43Å; R325-T347 WeakPolarHBondContact O-CA 3.29Å; R325-T347 WeakPolarHBondContact O-CB 3.45Å; R325-Y348 HydrophobicContact CB-CD1 4.46Å; R325-Y348 HydrophobicContact CB-CE1 3.79Å; R325-Y348 HydrophobicContact CB-CE2 3.98Å; R325-Y348 PolarHBondContact N-O 2.9Å; R325-Y348 PolarHBondContact NE-OH 3.46Å; R325-Y348 VanDerWaalsContact O-CD1 3.28Å; R325-Y348 WeakPolarHBondContact O-CD1 3.49Å; R325-Y348 PolarHBondContact O-N 2.8Å; R325-V350 HydrophobicContact CB-CG2 4.04Å; R325-V350 HydrophobicContact CG-CG2 3.77Å
326	Y	98	Very high	95.5	Very high	17 Å²	17	67.8 Å²	67.8	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	142.3	176.4	-66.3	-73.3	0	0	0	112.3	S196 N198 A199 V200 M211 W212 R213 T268 T347 Y348	S196-Y326 PolarHBondContact OG-OH 3.48Å; N198-Y326 PolarHBondContact O-OH 3.1Å; A199-Y326 WeakPolarHBondContact CA-OH 3.28Å; V200-Y326 HydrophobicContact CG1-CE1 4.29Å; V200-Y326 HydrophobicContact CG1-CE2 4.33Å; V200-Y326 HydrophobicContact CG2-CD2 4.02Å; V200-Y326 HydrophobicContact CG2-CE2 3.62Å; M211-Y326 HydrophobicContact CB-CE2 4.31Å; M211-Y326 PolarHBondContact O-OH 3.39Å; W212-Y326 WeakPolarHBondContact CA-OH 3.29Å; R213-Y326 HydrophobicContact CB-CE2 4.41Å; T268-Y326 HydrophobicContact CG2-CD2 3.91Å; T268-Y326 HydrophobicContact CG2-CE2 4.11Å; Y326-T347 HydrophobicContact CD1-CG2 3.65Å; Y326-T347 HydrophobicContact CE1-CG2 3.79Å; Y326-T347 HydrophobicContact CG-CG2 4.47Å; Y326-Y348 WeakPolarHBondContact O-CE1 3.42Å
327	E	97.2	Very high	95.5	Very high	51 Å²	51	73.7 Å²	73.7	24%	0.238	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-62.3	139.8	169.9	-74.2	-172.8	-167.1	0	0	110.9	R213 V329 R343 K346 Y348	R213-E327 PolarHBondContact NH1-O 2.59Å; R213-E327 PolarHBondContact NH2-O 2.92Å; E327-V329 PolarHBondContact O-N 3.46Å; E327-R343 HydrophobicContact CB-CB 4.25Å; E327-R343 WeakPolarHBondContact OE2-CD 3.5Å; E327-R343 WeakPolarHBondContact OE2-CG 3.2Å; E327-K346 HydrophobicContact CB-CB 4.28Å; E327-K346 HydrophobicContact CG-CB 3.95Å; E327-K346 PolarHBondContact N-O 3.32Å; E327-Y348 HydrophobicContact CG-CD1 4.17Å
328	P	96.6	Very high	95.4	Very high	82 Å²	82	78.6 Å²	78.6	53%	0.532	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-59	134.9	170.6	-22.4	33.5	0	0	0	111.1	F331	P328-F331 VanDerWaalsContact O-CZ 3.29Å; P328-F331 WeakPolarHBondContact O-CZ 3.36Å
329	V	96.1	Very high	95.5	Very high	6 Å²	6	75.4 Å²	75.4	4%	0.036	35%	0.347	C	S	.	.			trans	-110.2	-20.7	179.2	-64.3	0	0	0	0	113	R213 P266 E327 V339 D340 R343	R213-V329 VanDerWaalsContact NH1-CG1 3.32Å; P266-V329 HydrophobicContact CB-CG2 3.9Å; P266-V329 HydrophobicContact CG-CG2 3.94Å; E327-V329 PolarHBondContact O-N 3.46Å; V329-V339 HydrophobicContact CB-CG1 4.28Å; V329-V339 HydrophobicContact CG2-CG1 4.27Å; V329-V339 CarbonylContact O-C 3.56Å; V329-V339 VanDerWaalsContact O-CA 3.31Å; V329-V339 WeakPolarHBondContact O-CA 3.47Å; V329-D340 PolarHBondContact O-N 3.22Å; V329-R343 HydrophobicContact CG1-CB 4.16Å
330	L	95.8	Very high	95.5	Very high	77 Å²	77	76.1 Å²	76.1	40%	0.403	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.9	-176.5	-173.4	70.4	0	0	0	109	Y337 V339	L330-Y337 HydrophobicContact CD1-CD1 4.43Å; L330-Y337 HydrophobicContact CD1-CG 4.43Å; L330-Y337 HydrophobicContact CD2-CD1 4.47Å; L330-Y337 HydrophobicContact CG-CD1 4.33Å; L330-V339 HydrophobicContact CD1-CG2 3.7Å
331	F	95.3	Very high	95.3	Very high	78 Å²	78	79.3 Å²	79.3	34%	0.342	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.7	177	-54.7	-78.6	0	0	0	109.4	P328 K338 D340	P328-F331 VanDerWaalsContact O-CZ 3.29Å; P328-F331 WeakPolarHBondContact O-CZ 3.36Å; F331-K338 PolarHBondContact N-O 3.05Å; F331-K338 PolarHBondContact O-N 2.92Å; F331-D340 HydrophobicContact CD2-CB 4.42Å; F331-D340 HydrophobicContact CE2-CB 3.98Å
332	E	94.8	Very high	95.3	Very high	150 Å²	150	80.9 Å²	80.9	70%	0.701	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.8	174.1	-172.8	174	-170	0	0	109.5	Y337	E332-Y337 HydrophobicContact CB-CD1 4.08Å; E332-Y337 HydrophobicContact CB-CE1 3.87Å; E332-Y337 HydrophobicContact CG-CD1 4.33Å; E332-Y337 HydrophobicContact CG-CE1 3.87Å
333	E	92.4	Very high	95.2	Very high	71 Å²	71	84.7 Å²	84.7	33%	0.332	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	170	162.8	-66.1	-166.8	-165.4	0	0	108.8	H335 Y336 K338	E333-H335 PolarHBondContact O-N 2.91Å; E333-Y336 CarbonylContact C-O 3.6Å; E333-Y336 WeakPolarHBondContact CA-O 3.27Å; E333-Y336 HydrophobicContact CB-CD1 4.36Å; E333-Y336 HydrophobicContact CB-CE1 4.04Å; E333-Y336 VanDerWaalsContact CD-OH 3.24Å; E333-Y336 PolarHBondContact N-O 3.37Å; E333-Y336 PolarHBondContact O-N 2.87Å; E333-Y336 WeakPolarHBondContact OE2-CE1 3.44Å; E333-Y336 PolarHBondContact OE2-OH 2.6Å; E333-K338 WeakPolarHBondContact OE1-CD 3.5Å; E333-K338 IonicContact OE1-NZ 3.79Å; E333-K338 PolarHBondContact OE1-NZ 3.3Å
334	K	91.1	Very high	95.2	Very high	198 Å²	198	84.3 Å²	84.3	86%	0.861	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	-36.4	-167.8	-65.3	-176.9	179.8	-179	0	116.4
335	H	92.7	Very high	95.2	Very high	177 Å²	177	86.2 Å²	86.2	82%	0.819	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.5	4.3	-174.7	-58.4	-54.6	0	0	0	114.1	E333	E333-H335 PolarHBondContact O-N 2.91Å
336	Y	92.4	Very high	95.2	Very high	124 Å²	124	86.1 Å²	86.1	49%	0.486	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	159.5	-177	69.4	-82.5	0	0	0	111	E333 K338	E333-Y336 CarbonylContact C-O 3.6Å; E333-Y336 WeakPolarHBondContact CA-O 3.27Å; E333-Y336 HydrophobicContact CB-CD1 4.36Å; E333-Y336 HydrophobicContact CB-CE1 4.04Å; E333-Y336 VanDerWaalsContact CD-OH 3.24Å; E333-Y336 PolarHBondContact N-O 3.37Å; E333-Y336 PolarHBondContact O-N 2.87Å; E333-Y336 WeakPolarHBondContact OE2-CE1 3.44Å; E333-Y336 PolarHBondContact OE2-OH 2.6Å; Y336-K338 HydrophobicContact CE2-CB 4.25Å
337	Y	94.7	Very high	95.2	Very high	151 Å²	151	87 Å²	87	59%	0.592	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	140.5	174	-64.1	-83.4	0	0	0	111.3	L330 E332	L330-Y337 HydrophobicContact CD1-CD1 4.43Å; L330-Y337 HydrophobicContact CD1-CG 4.43Å; L330-Y337 HydrophobicContact CD2-CD1 4.47Å; L330-Y337 HydrophobicContact CG-CD1 4.33Å; E332-Y337 HydrophobicContact CB-CD1 4.08Å; E332-Y337 HydrophobicContact CB-CE1 3.87Å; E332-Y337 HydrophobicContact CG-CD1 4.33Å; E332-Y337 HydrophobicContact CG-CE1 3.87Å
338	K	93.8	Very high	95.2	Very high	110 Å²	110	88.7 Å²	88.7	48%	0.478	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.2	177.9	-170.7	173.1	-179.4	178.1	0	110.5	F331 E333 Y336	F331-K338 PolarHBondContact N-O 3.05Å; F331-K338 PolarHBondContact O-N 2.92Å; E333-K338 WeakPolarHBondContact OE1-CD 3.5Å; E333-K338 IonicContact OE1-NZ 3.79Å; E333-K338 PolarHBondContact OE1-NZ 3.3Å; Y336-K338 HydrophobicContact CE2-CB 4.25Å
339	V	95.3	Very high	95.2	Very high	45 Å²	45	91.8 Å²	91.8	27%	0.273	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.1	177.5	-177.6	0	0	0	0	109.6	P266 V329 L330 Y341	P266-V339 HydrophobicContact CG-CG1 3.87Å; V329-V339 HydrophobicContact CB-CG1 4.28Å; V329-V339 HydrophobicContact CG2-CG1 4.27Å; V329-V339 CarbonylContact O-C 3.56Å; V329-V339 VanDerWaalsContact O-CA 3.31Å; V329-V339 WeakPolarHBondContact O-CA 3.47Å; L330-V339 HydrophobicContact CD1-CG2 3.7Å; V339-Y341 HydrophobicContact CB-CD2 4.46Å; V339-Y341 HydrophobicContact CB-CE2 4.19Å; V339-Y341 HydrophobicContact CG1-CD2 3.8Å; V339-Y341 HydrophobicContact CG1-CE2 3.56Å
340	D	95.4	Very high	95.2	Very high	49 Å²	49	93.1 Å²	93.1	26%	0.262	43%	0.427	S	S	.	.			trans	-93.4	94.8	174.1	-175.8	2.3	0	0	0	110.8	V329 F331 S342 R343	V329-D340 PolarHBondContact O-N 3.22Å; F331-D340 HydrophobicContact CD2-CB 4.42Å; F331-D340 HydrophobicContact CE2-CB 3.98Å; D340-S342 PolarHBondContact O-N 3.48Å; D340-S342 VanDerWaalsContact OD1-CB 3.23Å; D340-S342 WeakPolarHBondContact OD1-CB 3.39Å; D340-S342 PolarHBondContact OD1-N 3.43Å; D340-S342 PolarHBondContact OD1-OG 3.45Å; D340-S342 PolarHBondContact OD2-OG 3.24Å; D340-R343 PolarHBondContact O-N 2.94Å; D340-R343 IonicContact OD2-CZ 2.68Å; D340-R343 IonicContact OD2-NE 3.94Å; D340-R343 PolarHBondContact OD2-NE 2.96Å; D340-R343 IonicContact OD2-NH2 3.24Å
341	Y	94.8	Very high	95.1	Very high	74 Å²	74	95 Å²	95	29%	0.29	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-66.9	-14	177.7	-84.2	-88.7	0	0	0	113.9	V194 N216 L217 P266 V339 R343 F344	V194-Y341 HydrophobicContact CG2-CE1 4.39Å; N216-Y341 PolarHBondContact O-OH 3.48Å; L217-Y341 HydrophobicContact CD2-CD1 3.78Å; L217-Y341 HydrophobicContact CD2-CE1 3.5Å; L217-Y341 HydrophobicContact CD2-CG 4.43Å; P266-Y341 HydrophobicContact CG-CE1 3.93Å; V339-Y341 HydrophobicContact CB-CD2 4.46Å; V339-Y341 HydrophobicContact CB-CE2 4.19Å; V339-Y341 HydrophobicContact CG1-CD2 3.8Å; V339-Y341 HydrophobicContact CG1-CE2 3.56Å; Y341-R343 PolarHBondContact O-N 3.3Å; Y341-F344 HydrophobicContact CD1-CB 4.13Å; Y341-F344 AromaticContact CD1-CD2 3.83Å; Y341-F344 HydrophobicContact CD1-CD2 3.83Å; Y341-F344 HydrophobicContact CD1-CG 4.15Å; Y341-F344 AromaticContact CE1-CD2 3.83Å; Y341-F344 HydrophobicContact CE1-CD2 3.83Å; Y341-F344 HydrophobicContact CE1-CE2 4.19Å; Y341-F344 WeakPolarHBondContact O-CB 3.29Å; Y341-F344 PolarHBondContact O-N 3.22Å; Y341-F344 VanDerWaalsContact O-N 3.07Å
342	S	95.5	Very high	94.9	Very high	78 Å²	78	98.6 Å²	98.6	55%	0.545	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-65.5	-21.4	175	77.3	0	0	0	0	112.7	D340 K346	D340-S342 PolarHBondContact O-N 3.48Å; D340-S342 VanDerWaalsContact OD1-CB 3.23Å; D340-S342 WeakPolarHBondContact OD1-CB 3.39Å; D340-S342 PolarHBondContact OD1-N 3.43Å; D340-S342 PolarHBondContact OD1-OG 3.45Å; D340-S342 PolarHBondContact OD2-OG 3.24Å; S342-K346 WeakPolarHBondContact O-CE 3.42Å
343	R	95.4	Very high	94.9	Very high	96 Å²	96	91.9 Å²	91.9	36%	0.362	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-98	0.1	176.2	-54.3	-178.3	-162.6	-154.4	-1.7	113.1	E327 V329 D340 Y341 H345 K346	E327-R343 HydrophobicContact CB-CB 4.25Å; E327-R343 WeakPolarHBondContact OE2-CD 3.5Å; E327-R343 WeakPolarHBondContact OE2-CG 3.2Å; V329-R343 HydrophobicContact CG1-CB 4.16Å; D340-R343 PolarHBondContact O-N 2.94Å; D340-R343 IonicContact OD2-CZ 2.68Å; D340-R343 IonicContact OD2-NE 3.94Å; D340-R343 PolarHBondContact OD2-NE 2.96Å; D340-R343 IonicContact OD2-NH2 3.24Å; Y341-R343 PolarHBondContact O-N 3.3Å; R343-H345 VanDerWaalsContact C-N 3.31Å; R343-H345 PolarHBondContact O-N 3.45Å; R343-K346 HydrophobicContact CG-CD 4.49Å; R343-K346 PolarHBondContact O-N 3.29Å; R343-K346 VanDerWaalsContact O-N 3.09Å
344	F	97	Very high	94.9	Very high	1 Å²	1	90.1 Å²	90.1	0%	0.004	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-44.6	-172.6	-179.1	-87.9	0	0	0	112.5	V194 R213 P266 Y341	V194-F344 HydrophobicContact CB-CE1 4.45Å; V194-F344 HydrophobicContact CB-CZ 4.44Å; V194-F344 HydrophobicContact CG2-CE1 4.05Å; V194-F344 HydrophobicContact CG2-CE2 4.08Å; V194-F344 HydrophobicContact CG2-CZ 3.72Å; R213-F344 HydrophobicContact CB-CZ 4.25Å; R213-F344 HydrophobicContact CG-CD2 4.3Å; R213-F344 HydrophobicContact CG-CE2 3.73Å; R213-F344 HydrophobicContact CG-CZ 3.88Å; R213-F344 PolarHBondContact NH1-O 2.71Å; P266-F344 HydrophobicContact CB-CD2 3.9Å; P266-F344 HydrophobicContact CB-CE2 3.7Å; P266-F344 HydrophobicContact CG-CD2 3.79Å; P266-F344 HydrophobicContact CG-CE2 3.88Å; Y341-F344 HydrophobicContact CD1-CB 4.13Å; Y341-F344 AromaticContact CD1-CD2 3.83Å; Y341-F344 HydrophobicContact CD1-CD2 3.83Å; Y341-F344 HydrophobicContact CD1-CG 4.15Å; Y341-F344 AromaticContact CE1-CD2 3.83Å; Y341-F344 HydrophobicContact CE1-CD2 3.83Å; Y341-F344 HydrophobicContact CE1-CE2 4.19Å; Y341-F344 WeakPolarHBondContact O-CB 3.29Å; Y341-F344 PolarHBondContact O-N 3.22Å; Y341-F344 VanDerWaalsContact O-N 3.07Å
345	H	97.3	Very high	95	Very high	71 Å²	71	85.8 Å²	85.8	33%	0.329	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-7.4	-179.4	-53.6	-83.7	0	0	0	113.7	F195 H197 R343	F195-H345 PolarHBondContact O-CE1 3.37Å; H197-H345 AromaticContact CD2-CD2 3.99Å; H197-H345 AromaticContact CD2-CE1 3.71Å; H197-H345 AromaticContact CD2-CG 3.41Å; H197-H345 VanDerWaalsContact CD2-CG 3.41Å; H197-H345 AromaticContact CD2-ND1 3.2Å; H197-H345 PolarHBondContact CD2-ND1 3.27Å; H197-H345 AromaticContact CE1-CE1 3.87Å; H197-H345 AromaticContact CG-ND1 3.45Å; H197-H345 PolarHBondContact N-ND1 2.94Å; H197-H345 AromaticContact ND1-ND1 3.97Å; H197-H345 AromaticContact NE2-CE1 3.6Å; H197-H345 AromaticContact NE2-CG 3.9Å; H197-H345 AromaticContact NE2-ND1 3.61Å; H197-H345 AromaticContact NE2-NE2 3.9Å; R343-H345 VanDerWaalsContact C-N 3.31Å; R343-H345 PolarHBondContact O-N 3.45Å
346	K	97.6	Very high	95.1	Very high	103 Å²	103	78.5 Å²	78.5	45%	0.448	39%	0.385	S	S	.	.			trans	-76.3	140.9	-174.4	-66.7	-172.7	-178.3	179.1	0	111.3	E327 S342 R343	E327-K346 HydrophobicContact CB-CB 4.28Å; E327-K346 HydrophobicContact CG-CB 3.95Å; E327-K346 PolarHBondContact N-O 3.32Å; S342-K346 WeakPolarHBondContact O-CE 3.42Å; R343-K346 HydrophobicContact CG-CD 4.49Å; R343-K346 PolarHBondContact O-N 3.29Å; R343-K346 VanDerWaalsContact O-N 3.09Å
347	T	97.9	Very high	95.1	Very high	34 Å²	34	72.8 Å²	72.8	21%	0.209	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.5	176.7	68.2	0	0	0	0	109.5	V200 H324 R325 Y326	V200-T347 HydrophobicContact CG1-CG2 3.74Å; H324-T347 PolarHBondContact ND1-OG1 3.41Å; R325-T347 CarbonylContact O-C 3.43Å; R325-T347 WeakPolarHBondContact O-CA 3.29Å; R325-T347 WeakPolarHBondContact O-CB 3.45Å; Y326-T347 HydrophobicContact CD1-CG2 3.65Å; Y326-T347 HydrophobicContact CE1-CG2 3.79Å; Y326-T347 HydrophobicContact CG-CG2 4.47Å
348	Y	97.5	Very high	95.1	Very high	88 Å²	88	65.9 Å²	65.9	35%	0.345	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148	174.2	63.8	-88	0	0	0	109.9	H324 R325 Y326 E327 V350	H324-Y348 CarbonylContact C-O 3.56Å; H324-Y348 WeakPolarHBondContact CA-O 3.47Å; R325-Y348 HydrophobicContact CB-CD1 4.46Å; R325-Y348 HydrophobicContact CB-CE1 3.79Å; R325-Y348 HydrophobicContact CB-CE2 3.98Å; R325-Y348 PolarHBondContact N-O 2.9Å; R325-Y348 PolarHBondContact NE-OH 3.46Å; R325-Y348 VanDerWaalsContact O-CD1 3.28Å; R325-Y348 WeakPolarHBondContact O-CD1 3.49Å; R325-Y348 PolarHBondContact O-N 2.8Å; Y326-Y348 WeakPolarHBondContact O-CE1 3.42Å; E327-Y348 HydrophobicContact CG-CD1 4.17Å; Y348-V350 HydrophobicContact CD2-CG2 4.09Å; Y348-V350 HydrophobicContact CE2-CG2 3.76Å
349	E	97.2	Very high	95.1	Very high	146 Å²	146	65.5 Å²	65.5	68%	0.682	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	144.4	179.1	-74.3	178.1	-160.4	0	0	111.8	G323 H324	G323-E349 CarbonylContact O-C 3.56Å; H324-E349 VanDerWaalsContact CE1-CG 3.49Å; H324-E349 WeakPolarHBondContact CE1-CG 3.39Å; H324-E349 VanDerWaalsContact NE2-CG 3.34Å; H324-E349 WeakPolarHBondContact NE2-CG 3.49Å; H324-E349 IonicContact NE2-OE1 3.47Å
350	V	96.1	Very high	95	Very high	34 Å²	34	66.2 Å²	66.2	21%	0.206	34%	0.336	C	S	.	.			trans	-126.4	90.2	178.1	-175.6	0	0	0	0	107.8	G323 R325 Y348 N352 T353	G323-V350 PolarHBondContact O-N 3.36Å; R325-V350 HydrophobicContact CB-CG2 4.04Å; R325-V350 HydrophobicContact CG-CG2 3.77Å; Y348-V350 HydrophobicContact CD2-CG2 4.09Å; Y348-V350 HydrophobicContact CE2-CG2 3.76Å; V350-N352 PolarHBondContact O-N 3.17Å; V350-N352 VanDerWaalsContact O-N 3.07Å; V350-T353 WeakPolarHBondContact O-CB 3.46Å; V350-T353 PolarHBondContact O-N 2.93Å; V350-T353 VanDerWaalsContact O-N 3.12Å; V350-T353 PolarHBondContact O-OG1 3.5Å
351	P	92.9	Very high	94.8	Very high	116 Å²	116	66.1 Å²	66.1	75%	0.753	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.8	-173.7	-27.5	35.6	0	0	0	114.6	T353	P351-T353 PolarHBondContact O-N 3.27Å
352	N	91.6	Very high	94.6	Very high	155 Å²	155	64.6 Å²	64.6	83%	0.829	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	2.3	-178	-61.9	-10.5	0	0	0	113.8	V350	V350-N352 PolarHBondContact O-N 3.17Å; V350-N352 VanDerWaalsContact O-N 3.07Å
353	T	93.5	Very high	94.4	Very high	8 Å²	8	65.7 Å²	65.7	5%	0.049	33%	0.334	C	S	.	.	S	Bend	trans	-74.2	125.3	179.1	-51.6	0	0	0	0	109.7	M203 L208 V350 P351 L355	M203-T353 HydrophobicContact CG-CG2 4.4Å; L208-T353 HydrophobicContact CD1-CG2 4.36Å; V350-T353 WeakPolarHBondContact O-CB 3.46Å; V350-T353 PolarHBondContact O-N 2.93Å; V350-T353 VanDerWaalsContact O-N 3.12Å; V350-T353 PolarHBondContact O-OG1 3.5Å; P351-T353 PolarHBondContact O-N 3.27Å; T353-L355 PolarHBondContact O-N 2.77Å
354	P	93.9	Very high	94.1	Very high	35 Å²	35	66.5 Å²	66.5	23%	0.227	34%	0.34	C	S	.	.			trans	-54.7	139.8	174.7	-24.2	34.2	0	0	0	111.4	M203 W322 L361	M203-P354 VanDerWaalsContact CG-CD 3.42Å; M203-P354 HydrophobicContact CG-CG 4.2Å; M203-P354 HydrophobicContact SD-CG 4.13Å; W322-P354 PolarHBondContact NE1-O 3.41Å; P354-L361 HydrophobicContact CB-CD1 4.17Å; P354-L361 HydrophobicContact CG-CD1 3.94Å
355	L	93.2	Very high	93.6	Very high	106 Å²	106	74 Å²	74	56%	0.555	37%	0.373	S	S	*	.			trans	-93.8	-8.9	-179.8	-53.3	-179.2	0	0	0	113.2	K284 T353	K284-L355 HydrophobicContact CB-CB 4.44Å; K284-L355 HydrophobicContact CD-CD2 3.71Å; K284-L355 PolarHBondContact N-O 2.93Å; K284-L355 VanDerWaalsContact N-O 3.11Å; T353-L355 PolarHBondContact O-N 2.77Å
356	C	93.1	Very high	92.9	Very high	24 Å²	24	77.8 Å²	77.8	16%	0.162	39%	0.385	C	S	.	.	S	Bend	trans	-84.1	170.1	179.4	63.9	0	0	0	0	111.5	W322 D360	W322-C356 WeakPolarHBondContact CZ2-O 3.19Å; C356-D360 HydrophobicContact CB-CB 3.78Å
357	S	94.4	Very high	92.3	Very high	4 Å²	4	78.2 Å²	78.2	3%	0.028	39%	0.391	C	S	.	.			trans	-65.9	165	176.8	68.8	0	0	0	0	111.7	L282 R359 D360 L361	L282-S357 WeakPolarHBondContact O-CA 3.26Å; S357-R359 VanDerWaalsContact C-N 3.27Å; S357-R359 PolarHBondContact O-N 2.99Å; S357-D360 PolarHBondContact N-OD2 3.38Å; S357-D360 VanDerWaalsContact N-OD2 3.11Å; S357-D360 PolarHBondContact O-N 3.17Å; S357-D360 PolarHBondContact OG-N 2.98Å; S357-D360 VanDerWaalsContact OG-N 3.08Å; S357-D360 PolarHBondContact OG-OD2 2.84Å; S357-L361 PolarHBondContact O-N 3.29Å; S357-L361 VanDerWaalsContact O-N 3.11Å
358	A	93.9	Very high	91.5	Very high	7 Å²	7	82 Å²	82	6%	0.058	41%	0.409	C	S	.	.	H	α-helix	trans	-64.9	-34.6	173.2	0	0	0	0	0	111.4	L208 I273 Y280 L361 A362	L208-A358 HydrophobicContact CD2-CB 4.17Å; I273-A358 HydrophobicContact CB-CB 4.16Å; I273-A358 HydrophobicContact CG2-CB 3.57Å; I273-A358 WeakPolarHBondContact O-CB 3.41Å; Y280-A358 HydrophobicContact CD2-CB 3.66Å; Y280-A358 HydrophobicContact CE2-CB 3.99Å; Y280-A358 PolarHBondContact O-N 3.45Å; A358-L361 WeakPolarHBondContact O-CB 3.25Å; A358-L361 PolarHBondContact O-N 2.92Å; A358-A362 PolarHBondContact O-N 3.13Å
359	R	93.5	Very high	90.6	Very high	101 Å²	101	80.5 Å²	80.5	38%	0.381	41%	0.412	S	S	.	.	H	α-helix	trans	-56.4	-53.8	170.5	-178	-177.6	-71.4	171.1	-2.9	112	Y280 D281 S357 L361 A362 E363	Y280-R359 HydrophobicContact CD1-CB 3.89Å; Y280-R359 HydrophobicContact CD1-CG 4.45Å; Y280-R359 HydrophobicContact CE1-CB 3.58Å; Y280-R359 HydrophobicContact CE1-CG 3.84Å; Y280-R359 HydrophobicContact CE2-CB 4.28Å; Y280-R359 HydrophobicContact CG-CB 4.38Å; Y280-R359 VanDerWaalsContact CZ-CA 3.46Å; Y280-R359 PolarHBondContact O-N 3.23Å; Y280-R359 VanDerWaalsContact O-N 3.07Å; D281-R359 IonicContact OD1-CZ 2.97Å; D281-R359 IonicContact OD1-NE 3.33Å; D281-R359 PolarHBondContact OD1-NE 2.88Å; D281-R359 IonicContact OD1-NH1 2.72Å; D281-R359 PolarHBondContact OD1-NH1 2.85Å; D281-R359 IonicContact OD1-NH2 2.77Å; D281-R359 PolarHBondContact OD1-NH2 2.94Å; D281-R359 IonicContact OD2-CZ 3.91Å; D281-R359 IonicContact OD2-NH1 2.72Å; D281-R359 PolarHBondContact OD2-NH1 3.42Å; D281-R359 IonicContact OD2-NH2 3.19Å; D281-R359 PolarHBondContact OD2-NH2 3.41Å; S357-R359 VanDerWaalsContact C-N 3.27Å; S357-R359 PolarHBondContact O-N 2.99Å; R359-L361 PolarHBondContact O-N 2.82Å; R359-A362 PolarHBondContact O-N 3.41Å; R359-A362 VanDerWaalsContact O-N 3.09Å; R359-E363 HydrophobicContact CG-CG 4.44Å; R359-E363 WeakPolarHBondContact O-CG 3.22Å; R359-E363 PolarHBondContact O-N 3.44Å
360	D	93.4	Very high	89.5	Confident	60 Å²	60	76.9 Å²	76.9	32%	0.321	40%	0.397	S	S	.	.	H	α-helix	trans	-60.4	-33.9	-179.9	-59.1	-41.8	0	0	0	111.6	C356 S357 K364	C356-D360 HydrophobicContact CB-CB 3.78Å; S357-D360 PolarHBondContact N-OD2 3.38Å; S357-D360 VanDerWaalsContact N-OD2 3.11Å; S357-D360 PolarHBondContact O-N 3.17Å; S357-D360 PolarHBondContact OG-N 2.98Å; S357-D360 VanDerWaalsContact OG-N 3.08Å; S357-D360 PolarHBondContact OG-OD2 2.84Å; D360-K364 WeakPolarHBondContact O-CB 3.34Å; D360-K364 WeakPolarHBondContact O-CG 3.44Å; D360-K364 PolarHBondContact O-N 3.14Å
361	L	91.8	Very high	88.3	Confident	47 Å²	47	77.5 Å²	77.5	25%	0.246	41%	0.406	C	S	.	.	H	α-helix	trans	-69	-42	177.5	-169.6	69.3	0	0	0	111.4	M203 P354 S357 A358 R359 K365	M203-L361 HydrophobicContact CE-CD2 3.79Å; M203-L361 HydrophobicContact SD-CD2 3.91Å; P354-L361 HydrophobicContact CB-CD1 4.17Å; P354-L361 HydrophobicContact CG-CD1 3.94Å; S357-L361 PolarHBondContact O-N 3.29Å; S357-L361 VanDerWaalsContact O-N 3.11Å; A358-L361 WeakPolarHBondContact O-CB 3.25Å; A358-L361 PolarHBondContact O-N 2.92Å; R359-L361 PolarHBondContact O-N 2.82Å; L361-K365 WeakPolarHBondContact O-CB 3.48Å; L361-K365 PolarHBondContact O-N 3.02Å; L361-K365 VanDerWaalsContact O-N 3.07Å
362	A	90.8	Very high	87.2	Confident	42 Å²	42	77.3 Å²	77.3	35%	0.347	40%	0.399	S	S	.	.	H	α-helix	trans	-65.5	-44.7	175.7	0	0	0	0	0	111.7	Y280 A358 R359 K365 Y366	Y280-A362 WeakPolarHBondContact OH-CB 3.38Å; A358-A362 PolarHBondContact O-N 3.13Å; R359-A362 PolarHBondContact O-N 3.41Å; R359-A362 VanDerWaalsContact O-N 3.09Å; A362-K365 PolarHBondContact O-N 3.38Å; A362-Y366 PolarHBondContact O-N 3.47Å
363	E	90.6	Very high	86.1	Confident	102 Å²	102	72.7 Å²	72.7	48%	0.477	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-45.5	176.4	-72.8	-179.7	-172.3	0	0	111.9	R359 K365 Y366 I367	R359-E363 HydrophobicContact CG-CG 4.44Å; R359-E363 WeakPolarHBondContact O-CG 3.22Å; R359-E363 PolarHBondContact O-N 3.44Å; E363-K365 VanDerWaalsContact C-N 3.32Å; E363-K365 PolarHBondContact O-N 2.95Å; E363-Y366 WeakPolarHBondContact O-CB 3.39Å; E363-Y366 PolarHBondContact O-N 3.1Å; E363-I367 VanDerWaalsContact O-CG1 3.3Å; E363-I367 WeakPolarHBondContact O-CG1 3.43Å; E363-I367 PolarHBondContact O-N 3.21Å
364	K	88.6	Confident	84.8	Confident	112 Å²	112	78.4 Å²	78.4	49%	0.487	40%	0.403	S	S	.	.	H	α-helix	trans	-60.2	-42	175.5	-77.4	171.4	-175	171.3	0	112	D360 Y366 I367 L368	D360-K364 WeakPolarHBondContact O-CB 3.34Å; D360-K364 WeakPolarHBondContact O-CG 3.44Å; D360-K364 PolarHBondContact O-N 3.14Å; K364-Y366 VanDerWaalsContact C-N 3.33Å; K364-I367 PolarHBondContact O-N 2.92Å; K364-L368 WeakPolarHBondContact O-CB 3.28Å; K364-L368 WeakPolarHBondContact O-CD1 3.45Å; K364-L368 WeakPolarHBondContact O-CG 3.39Å; K364-L368 PolarHBondContact O-N 3.49Å
365	K	86.2	Confident	83.7	Confident	158 Å²	158	80.6 Å²	80.6	69%	0.687	42%	0.418	S	S	*	.	H	α-helix	trans	-62.8	-41.6	177.1	-172.6	-179.7	178.2	-175.6	0	111.2	L361 A362 E363 L368 S369	L361-K365 WeakPolarHBondContact O-CB 3.48Å; L361-K365 PolarHBondContact O-N 3.02Å; L361-K365 VanDerWaalsContact O-N 3.07Å; A362-K365 PolarHBondContact O-N 3.38Å; E363-K365 VanDerWaalsContact C-N 3.32Å; E363-K365 PolarHBondContact O-N 2.95Å; K365-L368 PolarHBondContact O-N 3.3Å; K365-S369 PolarHBondContact O-N 2.89Å; K365-S369 PolarHBondContact O-OG 2.84Å
366	Y	83.3	Confident	82.5	Confident	152 Å²	152	83 Å²	83	60%	0.596	42%	0.421	S	S	*	.	H	α-helix	trans	-64.9	-42.3	176.6	-177	-101.8	0	0	0	112.6	A362 E363 K364 S369 N370	A362-Y366 PolarHBondContact O-N 3.47Å; E363-Y366 WeakPolarHBondContact O-CB 3.39Å; E363-Y366 PolarHBondContact O-N 3.1Å; K364-Y366 VanDerWaalsContact C-N 3.33Å; Y366-S369 WeakPolarHBondContact CA-OG 3.29Å; Y366-S369 PolarHBondContact O-N 3.47Å; Y366-S369 PolarHBondContact O-OG 2.96Å; Y366-N370 WeakPolarHBondContact CE1-ND2 3.01Å; Y366-N370 WeakPolarHBondContact O-CB 3.11Å; Y366-N370 PolarHBondContact O-N 3.36Å; Y366-N370 PolarHBondContact OH-ND2 2.58Å
367	I	85.1	Confident	81.4	Confident	112 Å²	112	87.7 Å²	87.7	57%	0.574	44%	0.441	S	S	*	.	H	α-helix	trans	-63.6	-44.4	176	-66.7	164.3	0	0	0	110.8	E363 K364 N370 A371	E363-I367 VanDerWaalsContact O-CG1 3.3Å; E363-I367 WeakPolarHBondContact O-CG1 3.43Å; E363-I367 PolarHBondContact O-N 3.21Å; K364-I367 PolarHBondContact O-N 2.92Å; I367-N370 PolarHBondContact O-N 3.26Å; I367-A371 WeakPolarHBondContact O-CB 3.38Å; I367-A371 PolarHBondContact O-N 2.83Å
368	L	81.8	Confident	80.5	Confident	112 Å²	112	90.8 Å²	90.8	59%	0.586	46%	0.457	S	S	*	.	H	α-helix	trans	-64	-40.6	177.5	-81.9	155.1	0	0	0	112.2	K364 K365 N372	K364-L368 WeakPolarHBondContact O-CB 3.28Å; K364-L368 WeakPolarHBondContact O-CD1 3.45Å; K364-L368 WeakPolarHBondContact O-CG 3.39Å; K364-L368 PolarHBondContact O-N 3.49Å; K365-L368 PolarHBondContact O-N 3.3Å; L368-N372 PolarHBondContact O-N 3.39Å
369	S	78.6	Confident	79.6	Confident	57 Å²	57	96.4 Å²	96.4	40%	0.399	48%	0.482	S	S	.	.	H	α-helix	trans	-67.4	-40	176.2	57.1	0	0	0	0	112.3	K365 Y366 N372 S373	K365-S369 PolarHBondContact O-N 2.89Å; K365-S369 PolarHBondContact O-OG 2.84Å; Y366-S369 WeakPolarHBondContact CA-OG 3.29Å; Y366-S369 PolarHBondContact O-N 3.47Å; Y366-S369 PolarHBondContact O-OG 2.96Å; S369-N372 PolarHBondContact O-N 2.89Å; S369-S373 WeakPolarHBondContact O-CB 3.06Å; S369-S373 PolarHBondContact O-N 3.38Å
370	N	73.2	Confident	78.7	Confident	70 Å²	70	94.8 Å²	94.8	37%	0.374	48%	0.483	S	S	.	.	H	α-helix	trans	-71.5	-36.4	179.1	-77.4	7.5	0	0	0	112.5	Y366 I367 N372 S373 F374	Y366-N370 WeakPolarHBondContact CE1-ND2 3.01Å; Y366-N370 WeakPolarHBondContact O-CB 3.11Å; Y366-N370 PolarHBondContact O-N 3.36Å; Y366-N370 PolarHBondContact OH-ND2 2.58Å; I367-N370 PolarHBondContact O-N 3.26Å; N370-N372 VanDerWaalsContact C-N 3.31Å; N370-N372 PolarHBondContact O-N 2.83Å; N370-S373 PolarHBondContact O-N 3.21Å; N370-F374 WeakPolarHBondContact O-CB 3.27Å; N370-F374 PolarHBondContact O-N 3.36Å
371	A	71.6	Confident	77.9	Confident	47 Å²	47	94.1 Å²	94.1	39%	0.388	49%	0.486	S	S	.	.	H	α-helix	trans	-61.7	-42.7	173.4	0	0	0	0	0	111	I367 F374 C375	I367-A371 WeakPolarHBondContact O-CB 3.38Å; I367-A371 PolarHBondContact O-N 2.83Å; A371-F374 PolarHBondContact O-N 3.22Å; A371-C375 WeakPolarHBondContact O-CB 3.35Å; A371-C375 PolarHBondContact O-N 2.02Å; A371-C375 PolarHBondContact O-SG 3.27Å
372	N	69	Low	76.9	Confident	113 Å²	113	97 Å²	97	60%	0.604	50%	0.501	S	S	*	.	H	α-helix	trans	-67.2	-38.6	175.8	-70	-7.7	0	0	0	112.2	L368 S369 N370 Y376	L368-N372 PolarHBondContact O-N 3.39Å; S369-N372 PolarHBondContact O-N 2.89Å; N370-N372 VanDerWaalsContact C-N 3.31Å; N370-N372 PolarHBondContact O-N 2.83Å; N372-Y376 VanDerWaalsContact O-CB 3.3Å; N372-Y376 WeakPolarHBondContact O-CB 3.44Å; N372-Y376 PolarHBondContact O-N 3.41Å
373	S	68	Low	76	Confident	58 Å²	58	98.3 Å²	98.3	41%	0.406	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-41	175.3	-164	0	0	0	0	111.9	S369 N370 Y376 E377	S369-S373 WeakPolarHBondContact O-CB 3.06Å; S369-S373 PolarHBondContact O-N 3.38Å; N370-S373 PolarHBondContact O-N 3.21Å; S373-Y376 PolarHBondContact O-N 3.03Å; S373-E377 WeakPolarHBondContact O-CB 3.39Å; S373-E377 WeakPolarHBondContact O-CG 3.4Å; S373-E377 PolarHBondContact O-N 3.4Å
374	F	67.5	Low	74.9	Confident	128 Å²	128	95.8 Å²	95.8	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-69.2	-39.2	178.1	-174.5	-106.9	0	0	0	111.9	N370 A371 N378	N370-F374 WeakPolarHBondContact O-CB 3.27Å; N370-F374 PolarHBondContact O-N 3.36Å; A371-F374 PolarHBondContact O-N 3.22Å; F374-N378 VanDerWaalsContact CD1-ND2 3.29Å; F374-N378 WeakPolarHBondContact CD1-ND2 3.39Å; F374-N378 WeakPolarHBondContact CE1-ND2 3.28Å; F374-N378 WeakPolarHBondContact CZ-ND2 3.07Å; F374-N378 WeakPolarHBondContact O-CB 3.31Å; F374-N378 PolarHBondContact O-N 3.48Å; F374-N378 PolarHBondContact O-ND2 3.37Å; F374-N378 VanDerWaalsContact O-ND2 3.08Å
375	C	69.7	Low	73.9	Confident	80 Å²	80	97.3 Å²	97.3	54%	0.541	51%	0.505	S	S	.	.	H	α-helix	trans	-62.9	-43.9	172.1	-71.4	0	0	0	0	111.3	A371 N378 E379	A371-C375 WeakPolarHBondContact O-CB 3.35Å; A371-C375 PolarHBondContact O-N 2.02Å; A371-C375 PolarHBondContact O-SG 3.27Å; C375-N378 PolarHBondContact O-N 2.89Å; C375-E379 VanDerWaalsContact O-CB 3.31Å; C375-E379 WeakPolarHBondContact O-CB 3.46Å; C375-E379 PolarHBondContact O-N 3.22Å
376	Y	68.4	Low	72.8	Confident	158 Å²	158	96.3 Å²	96.3	62%	0.62	50%	0.503	S	S	*	.	H	α-helix	trans	-66.3	-44.4	178.6	-174.2	-102.6	0	0	0	112.4	N372 S373 N378 E379 V380	N372-Y376 VanDerWaalsContact O-CB 3.3Å; N372-Y376 WeakPolarHBondContact O-CB 3.44Å; N372-Y376 PolarHBondContact O-N 3.41Å; S373-Y376 PolarHBondContact O-N 3.03Å; Y376-N378 VanDerWaalsContact C-N 3.33Å; Y376-N378 PolarHBondContact O-N 3.2Å; Y376-E379 PolarHBondContact O-N 2.93Å; Y376-V380 HydrophobicContact CD1-CG2 4.2Å; Y376-V380 HydrophobicContact CE1-CG2 3.85Å; Y376-V380 HydrophobicContact CE2-CG2 4.21Å; Y376-V380 WeakPolarHBondContact O-CB 3.26Å; Y376-V380 VanDerWaalsContact O-CG2 3.28Å; Y376-V380 WeakPolarHBondContact O-CG2 3.32Å; Y376-V380 PolarHBondContact O-N 3.46Å
377	E	71.2	Confident	71.7	Confident	122 Å²	122	96 Å²	96	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-62.1	-40.7	175.5	-80	-177.8	172.9	0	0	111.8	S373 A381	S373-E377 WeakPolarHBondContact O-CB 3.39Å; S373-E377 WeakPolarHBondContact O-CG 3.4Å; S373-E377 PolarHBondContact O-N 3.4Å; E377-A381 WeakPolarHBondContact O-CB 3.36Å; E377-A381 PolarHBondContact O-N 2.78Å
378	N	74	Confident	70.5	Confident	68 Å²	68	96.9 Å²	96.9	36%	0.364	51%	0.513	S	S	.	.	H	α-helix	trans	-68.6	-37.4	175.8	-72.8	-30	0	0	0	112.3	F374 C375 Y376 A381 L382	F374-N378 VanDerWaalsContact CD1-ND2 3.29Å; F374-N378 WeakPolarHBondContact CD1-ND2 3.39Å; F374-N378 WeakPolarHBondContact CE1-ND2 3.28Å; F374-N378 WeakPolarHBondContact CZ-ND2 3.07Å; F374-N378 WeakPolarHBondContact O-CB 3.31Å; F374-N378 PolarHBondContact O-N 3.48Å; F374-N378 PolarHBondContact O-ND2 3.37Å; F374-N378 VanDerWaalsContact O-ND2 3.08Å; C375-N378 PolarHBondContact O-N 2.89Å; Y376-N378 VanDerWaalsContact C-N 3.33Å; Y376-N378 PolarHBondContact O-N 3.2Å; N378-A381 PolarHBondContact O-N 3.42Å; N378-L382 WeakPolarHBondContact O-CB 3.49Å; N378-L382 WeakPolarHBondContact O-CD1 3.37Å; N378-L382 WeakPolarHBondContact O-CG 3.37Å; N378-L382 PolarHBondContact O-N 3Å
379	E	74.5	Confident	69.3	Low	126 Å²	126	98.7 Å²	98.7	59%	0.589	52%	0.523	S	S	*	.	H	α-helix	trans	-65.9	-43.9	177	-164.1	174.5	-167.3	0	0	110.9	C375 Y376 L382 T383	C375-E379 VanDerWaalsContact O-CB 3.31Å; C375-E379 WeakPolarHBondContact O-CB 3.46Å; C375-E379 PolarHBondContact O-N 3.22Å; Y376-E379 PolarHBondContact O-N 2.93Å; E379-L382 PolarHBondContact O-N 2.9Å; E379-T383 WeakPolarHBondContact O-CG2 3.48Å; E379-T383 PolarHBondContact O-N 3.07Å; E379-T383 PolarHBondContact O-OG1 2.72Å
380	V	76.1	Confident	68.1	Low	66 Å²	66	100.6 Å²	100.6	40%	0.4	54%	0.536	S	S	.	.	H	α-helix	trans	-67.3	-35.5	174.9	175.3	0	0	0	0	112.3	Y376 L382 T383 S384	Y376-V380 HydrophobicContact CD1-CG2 4.2Å; Y376-V380 HydrophobicContact CE1-CG2 3.85Å; Y376-V380 HydrophobicContact CE2-CG2 4.21Å; Y376-V380 WeakPolarHBondContact O-CB 3.26Å; Y376-V380 VanDerWaalsContact O-CG2 3.28Å; Y376-V380 WeakPolarHBondContact O-CG2 3.32Å; Y376-V380 PolarHBondContact O-N 3.46Å; V380-L382 VanDerWaalsContact C-N 3.34Å; V380-T383 WeakPolarHBondContact CA-OG1 3.26Å; V380-T383 PolarHBondContact O-OG1 2.82Å; V380-T383 VanDerWaalsContact O-OG1 3.06Å; V380-S384 WeakPolarHBondContact O-CB 3.39Å; V380-S384 PolarHBondContact O-N 3.37Å; V380-S384 VanDerWaalsContact O-N 3.08Å; V380-S384 PolarHBondContact O-OG 2.88Å
381	A	75.5	Confident	66.9	Low	46 Å²	46	105 Å²	105	38%	0.38	55%	0.554	S	S	.	*	H	α-helix	trans	-71.3	-28.6	175.5	0	0	0	0	0	112.9	E377 N378 S384 K385	E377-A381 WeakPolarHBondContact O-CB 3.36Å; E377-A381 PolarHBondContact O-N 2.78Å; N378-A381 PolarHBondContact O-N 3.42Å; A381-S384 WeakPolarHBondContact CA-OG 3.24Å; A381-S384 PolarHBondContact O-OG 2.9Å; A381-K385 PolarHBondContact O-N 3.45Å
382	L	72.5	Confident	65.5	Low	109 Å²	109	111 Å²	111	57%	0.571	58%	0.58	S	S	*	*	H	α-helix	trans	-75	-44.1	174.4	-76.7	164.1	0	0	0	111	N378 E379 V380 S384 K385 E386	N378-L382 WeakPolarHBondContact O-CB 3.49Å; N378-L382 WeakPolarHBondContact O-CD1 3.37Å; N378-L382 WeakPolarHBondContact O-CG 3.37Å; N378-L382 PolarHBondContact O-N 3Å; E379-L382 PolarHBondContact O-N 2.9Å; V380-L382 VanDerWaalsContact C-N 3.34Å; L382-S384 PolarHBondContact O-N 2.94Å; L382-K385 PolarHBondContact O-N 3.4Å; L382-E386 WeakPolarHBondContact O-CG 3.45Å; L382-E386 PolarHBondContact O-N 3.32Å; L382-E386 VanDerWaalsContact O-N 3.1Å
383	T	70.9	Confident	64	Low	68 Å²	68	109.4 Å²	109.4	42%	0.417	59%	0.591	S	S	.	*	H	α-helix	trans	-65.6	-39.3	177.9	53.9	0	0	0	0	112.5	E379 V380 K385 E386 E387	E379-T383 WeakPolarHBondContact O-CG2 3.48Å; E379-T383 PolarHBondContact O-N 3.07Å; E379-T383 PolarHBondContact O-OG1 2.72Å; V380-T383 WeakPolarHBondContact CA-OG1 3.26Å; V380-T383 PolarHBondContact O-OG1 2.82Å; V380-T383 VanDerWaalsContact O-OG1 3.06Å; T383-K385 VanDerWaalsContact C-N 3.35Å; T383-K385 PolarHBondContact O-N 3.41Å; T383-E386 PolarHBondContact O-N 3.09Å; T383-E387 WeakPolarHBondContact O-CG 3.41Å; T383-E387 PolarHBondContact O-N 3.38Å; T383-E387 VanDerWaalsContact O-N 3.13Å
384	S	67.8	Low	62.8	Low	50 Å²	50	113.3 Å²	113.3	35%	0.35	61%	0.611	S	S	.	*	H	α-helix	trans	-66.6	-32.1	176.2	47.6	0	0	0	0	113.7	V380 A381 L382 D388	V380-S384 WeakPolarHBondContact O-CB 3.39Å; V380-S384 PolarHBondContact O-N 3.37Å; V380-S384 VanDerWaalsContact O-N 3.08Å; V380-S384 PolarHBondContact O-OG 2.88Å; A381-S384 WeakPolarHBondContact CA-OG 3.24Å; A381-S384 PolarHBondContact O-OG 2.9Å; L382-S384 PolarHBondContact O-N 2.94Å; S384-D388 PolarHBondContact O-N 2.86Å; S384-D388 VanDerWaalsContact O-N 3.1Å
385	K	67.1	Low	61.6	Low	143 Å²	143	112.1 Å²	112.1	62%	0.622	62%	0.616	S	S	*	*	H	α-helix	trans	-73.3	-36.3	173.8	-84	-177.6	174.6	175.6	0	113.3	A381 L382 T383 E387 D388 D389	A381-K385 PolarHBondContact O-N 3.45Å; L382-K385 PolarHBondContact O-N 3.4Å; T383-K385 VanDerWaalsContact C-N 3.35Å; T383-K385 PolarHBondContact O-N 3.41Å; K385-E387 VanDerWaalsContact C-N 3.26Å; K385-E387 PolarHBondContact O-N 2.72Å; K385-D388 PolarHBondContact O-N 3.32Å; K385-D389 PolarHBondContact O-N 3.06Å; K385-D389 VanDerWaalsContact O-N 3.09Å
386	E	63.8	Low	60.2	Low	138 Å²	138	116.2 Å²	116.2	65%	0.645	63%	0.628	S	S	*	*	H	α-helix	trans	-66.7	-30.9	175.5	-72.2	179.9	178.6	0	0	111.7	L382 T383 S390	L382-E386 WeakPolarHBondContact O-CG 3.45Å; L382-E386 PolarHBondContact O-N 3.32Å; L382-E386 VanDerWaalsContact O-N 3.1Å; T383-E386 PolarHBondContact O-N 3.09Å; E386-S390 PolarHBondContact O-OG 2.9Å
387	E	60.4	Low	58.8	Low	145 Å²	145	113.7 Å²	113.7	68%	0.678	63%	0.633	S	S	*	*	H	α-helix	trans	-75.1	-40.1	174	-70.7	178.6	177	0	0	112.6	T383 K385	T383-E387 WeakPolarHBondContact O-CG 3.41Å; T383-E387 PolarHBondContact O-N 3.38Å; T383-E387 VanDerWaalsContact O-N 3.13Å; K385-E387 VanDerWaalsContact C-N 3.26Å; K385-E387 PolarHBondContact O-N 2.72Å
388	D	58.5	Low	57.3	Low	131 Å²	131	113.9 Å²	113.9	70%	0.701	64%	0.643	S	S	*	*	H	α-helix	trans	-75.3	-29.3	-179.1	-83.8	-21.2	0	0	0	114.3	S384 K385 S390	S384-D388 PolarHBondContact O-N 2.86Å; S384-D388 VanDerWaalsContact O-N 3.1Å; K385-D388 PolarHBondContact O-N 3.32Å; D388-S390 VanDerWaalsContact C-N 3.26Å; D388-S390 PolarHBondContact O-N 3.36Å
389	D	57.8	Low	55.7	Low	149 Å²	149	115.3 Å²	115.3	80%	0.797	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-3	178.6	-80.6	-27.6	0	0	0	113.4	K385	K385-D389 PolarHBondContact O-N 3.06Å; K385-D389 VanDerWaalsContact O-N 3.09Å
390	S	53	Low	54	Low	98 Å²	98	115.2 Å²	115.2	69%	0.685	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-7.6	-175.6	-61.1	0	0	0	0	114.8	E386 D388	E386-S390 PolarHBondContact O-OG 2.9Å; D388-S390 VanDerWaalsContact C-N 3.26Å; D388-S390 PolarHBondContact O-N 3.36Å
391	E	48.3	Very low	52.3	Low	161 Å²	161	120 Å²	120	75%	0.752	69%	0.689	S	S	*	*	S	Bend	trans	-117.1	73.2	-176.4	-73	-166.4	152.4	0	0	112.5
392	N	42.9	Very low	50.9	Low	174 Å²	174	124 Å²	124	93%	0.93	71%	0.709	S	S	*	*			trans	-169.5	104.5	156.9	-91.4	-44.4	0	0	0	112.9
393	G	35.7	Very low	49.6	Very low	80 Å²	80	124.1 Å²	124.1	83%	0.825	72%	0.717	S	S	*	*			trans	130.2	74.8	154.3	0	0	0	0	0	118.8
394	V	43.3	Very low	48.2	Very low	139 Å²	139	125.6 Å²	125.6	84%	0.842	73%	0.728	S	S	*	*			trans	-88.9	167.6	154.9	-149.6	0	0	0	0	106.9
395	P	42.5	Very low	46.6	Very low	103 Å²	103	130 Å²	130	67%	0.669	75%	0.747	S	S	*	*			cis	-138.6	178.8	13.8	43.1	-21.7	0	0	0	114.3
396	E	39.7	Very low	45.1	Very low	167 Å²	167	130.6 Å²	130.6	78%	0.78	76%	0.756	S	S	*	*				-176.8	132.6	53.2	-140.9	171.1	-161.7	0	0	111.9
397	S	40.1	Very low	43.9	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	76%	0.761	S	S	*	*			trans	66.1	142.5	138.2	84.7	0	0	0	0	120.2
398	T	39.2	Very low	42.6	Very low	127 Å²	127	130.7 Å²	130.7	78%	0.779	76%	0.764	S	S	*	*			cis	-165.7	138.8	7.9	-38.6	0	0	0	0	104.8
399	S	40.7	Very low	41.5	Very low	98 Å²	98	133 Å²	133	69%	0.685	77%	0.771	S	S	*	*				172.8	126.8	82	55	0	0	0	0	113
400	T	38.2	Very low	40.6	Very low	124 Å²	124	131.6 Å²	131.6	76%	0.761	76%	0.763	S	S	*	*			trans	47.6	113.2	139.8	49.2	0	0	0	0	122.7
401	D	40.8	Very low	39.7	Very low	165 Å²	165	134.9 Å²	134.9	88%	0.882	77%	0.768	S	S	*	*				-168.7	132	106.7	-91.5	-21.5	0	0	0	112.7
402	T	45.2	Very low	39.1	Very low	130 Å²	130	132.4 Å²	132.4	80%	0.798	78%	0.775	S	S	*	*			trans	-84.3	-179.3	-173.5	18.9	0	0	0	0	115.4
403	P	45	Very low	38.9	Very low	112 Å²	112	128.8 Å²	128.8	73%	0.727	76%	0.763	S	S	*	*			cis	-139.3	-151.7	-34.3	36.4	-12.7	0	0	0	111.7
404	P	42.5	Very low	39.3	Very low	99 Å²	99	130.7 Å²	130.7	64%	0.643	76%	0.759	S	S	*	*				-128.7	178.7	-77.8	42.3	-24.1	0	0	0	115.2
405	D	34	Very low	39.3	Very low	143 Å²	143	130 Å²	130	77%	0.765	76%	0.757	S	S	*	*			trans	63.3	110.1	148.9	-57.7	-28.6	0	0	0	121.3
406	I	36.4	Very low	39.2	Very low	156 Å²	156	133 Å²	133	80%	0.8	77%	0.766	S	S	*	*			trans	176.4	118.2	131.6	-84.4	147.2	0	0	0	106.5
407	D	37.1	Very low	39.2	Very low	143 Å²	143	133 Å²	133	77%	0.765	77%	0.766	S	S	*	*			trans	165.6	114.1	141.3	-85.5	-27.9	0	0	0	109.5
408	L	34	Very low	39.4	Very low	141 Å²	141	134 Å²	134	74%	0.738	77%	0.771	S	S	*	*				78.7	90.9	81.9	-156.6	87.7	0	0	0	112.6
409	H	35.8	Very low	39.3	Very low	181 Å²	181	138.8 Å²	138.8	84%	0.838	77%	0.774	S	S	*	*			trans	-136.6	99.7	152.3	-101.1	-14.7	0	0	0	109.3
410	N	37.4	Very low	39.1	Very low	119 Å²	119	139.6 Å²	139.6	64%	0.636	78%	0.778	S	S	*	*				61	86.2	97.4	-87.9	-4.5	0	0	0	111.6
411	Q	34.9	Very low	39.2	Very low	166 Å²	166	142.7 Å²	142.7	78%	0.776	79%	0.788	S	S	*	*				60.6	82.2	96	-78.6	-171.7	7.9	0	0	112.9	S413	Q411-S413 PolarHBondContact O-N 3.28Å
412	A	35.1	Very low	39	Very low	109 Å²	109	145.8 Å²	145.8	90%	0.901	79%	0.788	S	S	*	*			trans	-61.6	103.4	145	0	0	0	0	0	108.7
413	S	40.1	Very low	38.8	Very low	99 Å²	99	149.8 Å²	149.8	69%	0.692	79%	0.788	S	S	*	*			trans	-108.1	108.7	166.3	50.7	0	0	0	0	108.7	Q411	Q411-S413 PolarHBondContact O-N 3.28Å
414	V	42.6	Very low	38.3	Very low	120 Å²	120	152.2 Å²	152.2	73%	0.727	79%	0.79	S	S	*	*			trans	-67	131.6	174.6	175.3	0	0	0	0	109.3	L416	V414-L416 PolarHBondContact O-N 3.18Å
415	P	43.1	Very low	38.3	Very low	125 Å²	125	153.1 Å²	153.1	81%	0.812	80%	0.799	S	S	*	*			trans	-73.4	107.9	162.2	-5	21.9	0	0	0	108	E417	P415-E417 PolarHBondContact O-N 3.18Å
416	L	41.4	Very low	38.3	Very low	164 Å²	164	155.6 Å²	155.6	86%	0.859	81%	0.806	S	S	*	*			trans	-63.9	116.8	170.7	-87.6	148.9	0	0	0	110	V414	V414-L416 PolarHBondContact O-N 3.18Å
417	E	39.1	Very low	38.7	Very low	167 Å²	167	159.7 Å²	159.7	78%	0.78	83%	0.827	S	S	*	*			trans	-46.8	135	166.1	-157.4	-179	169.8	0	0	112	P415 R419	P415-E417 PolarHBondContact O-N 3.18Å; E417-R419 PolarHBondContact O-N 2.98Å
418	P	44.9	Very low	38.7	Very low	127 Å²	127	160.6 Å²	160.6	83%	0.825	83%	0.83	S	S	*	*			trans	-75.9	94	171	29.9	-29.2	0	0	0	109.1
419	R	37.2	Very low	39	Very low	226 Å²	226	161.6 Å²	161.6	85%	0.853	84%	0.835	S	S	*	*			trans	-55.7	137	167.1	-110.2	179.4	175.9	177.9	-0.4	110.5	E417 L421	E417-R419 PolarHBondContact O-N 2.98Å; R419-L421 PolarHBondContact O-N 2.95Å
420	P	36.9	Very low	39.2	Very low	116 Å²	116	160.5 Å²	160.5	75%	0.753	83%	0.834	S	S	*	*			trans	-73.8	128.2	177.5	30.1	-31.6	0	0	0	110	R422	P420-R422 PolarHBondContact O-N 3.41Å
421	L	39.7	Very low	39.3	Very low	188 Å²	188	162.9 Å²	162.9	98%	0.984	85%	0.846	S	S	*	*			trans	-71.2	93.8	167.9	-81.6	164.7	0	0	0	109.1	R419	R419-L421 PolarHBondContact O-N 2.95Å
422	R	37.5	Very low	39.5	Very low	230 Å²	230	162.8 Å²	162.8	87%	0.868	85%	0.85	S	S	*	*			trans	-106.4	112.8	160.5	-176.2	-179.6	-175.3	165.8	2.2	107.8	P420	P420-R422 PolarHBondContact O-N 3.41Å
423	R	39.2	Very low	39.8	Very low	214 Å²	214	166.3 Å²	166.3	81%	0.808	85%	0.847	S	S	*	*			trans	-179.4	110.5	148.6	-104.9	-163.5	169.9	141.1	7	109
424	E	36.5	Very low	39.8	Very low	163 Å²	163	171.1 Å²	171.1	76%	0.762	86%	0.858	S	S	*	*				80	98.9	96	-83.1	177.9	160.3	0	0	112.5
425	S	40.9	Very low	39.6	Very low	119 Å²	119	175.1 Å²	175.1	83%	0.832	87%	0.868	S	S	*	*			trans	-154.1	100	132.2	58.4	0	0	0	0	108.5
426	E	34.9	Very low	39.3	Very low	195 Å²	195	179.3 Å²	179.3	91%	0.911	87%	0.873	S	S	*	*			trans	-59.3	124	151.5	-68.1	172.9	139.8	0	0	108.6
427	I	43.4	Very low	39.1	Very low	242 Å²	242	180.6 Å²	180.6	100%	1.241	87%	0.874	S	S	*	*				-145	0	130	-62.2	-169.4	0	0	0	106.3

Retrieved 427 of 427 residues in 71.7 ms (Link to these results)

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