A0A096MS42_PAPAN Loading...

Inward rectifier potassium channel 2

AlphaFold DB (P63253), UniProt , Accession A0A096MS42, Species PAPAN (Papio anubis, Olive baboon), 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 96.8 ms (Link to these results)

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