A0A087XR45_POEFO Loading...

Mitochondrial tRNA-specific 2-thiouridylase 1

Catalyzes the 2-thiolation of uridine at the wobble position (U34) of mitochondrial tRNA(Lys), tRNA(Glu) and tRNA(Gln). Required for the formation of 5-taurinomethyl-2-thiouridine (tm5s2U) of mitochondrial tRNA(Lys), tRNA(Glu), and tRNA(Gln) at the wobble position. ATP is required to activate the C2 atom of the wobble base.

AlphaFold DB , UniProt , Accession A0A087XR45, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 447 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	24.3	Very low	231 Å²	231	157.3 Å²	157.3	100%	1.138	87%	0.867	S	S	*	*				0	161	0	-85.3	-178.4	177.4	0	0	108.7
2	W	22.3	Very low	24.3	Very low	253 Å²	253	156 Å²	156	96%	0.958	87%	0.867	S	S	*	*			trans	83.4	133.9	-168.4	-57.2	102.5	0	0	0	114.7
3	T	21.2	Very low	24	Very low	127 Å²	127	153 Å²	153	78%	0.779	86%	0.855	S	S	*	*			trans	-131.6	138.4	-144.5	-53.1	0	0	0	0	108.3
4	L	22	Very low	23.9	Very low	157 Å²	157	156.1 Å²	156.1	82%	0.822	85%	0.847	S	S	*	*			trans	40.6	108.1	146.4	-160.7	92.7	0	0	0	119
5	Q	21.5	Very low	23.7	Very low	179 Å²	179	158.7 Å²	158.7	84%	0.836	85%	0.85	S	S	*	*				-178.5	128.9	123.7	-105.6	176	-34.5	0	0	110
6	L	23.8	Very low	23.7	Very low	178 Å²	178	158.8 Å²	158.8	93%	0.932	84%	0.844	S	S	*	*			trans	-156.8	139.7	154	-111.9	164.5	0	0	0	110.1
7	T	24.7	Very low	23.6	Very low	115 Å²	115	153.9 Å²	153.9	71%	0.706	84%	0.841	S	S	*	*			trans	-102.1	149.8	-166.2	43.7	0	0	0	0	112.9
8	L	24.3	Very low	23.5	Very low	166 Å²	166	154 Å²	154	87%	0.869	84%	0.838	S	S	*	*			trans	22.5	106.4	144.3	-70.3	161.1	0	0	0	118.3
9	S	25.8	Very low	23.4	Very low	131 Å²	131	155.9 Å²	155.9	92%	0.916	84%	0.843	S	S	*	*				161.2	146.3	126.3	51.6	0	0	0	0	110.3
10	G	24.9	Very low	23.2	Very low	71 Å²	71	151.4 Å²	151.4	73%	0.732	84%	0.835	S	S	*	*			trans	163.3	68.4	-178.2	0	0	0	0	0	114.4
11	S	21.3	Very low	23.1	Very low	122 Å²	122	150.4 Å²	150.4	85%	0.853	83%	0.833	S	S	*	*			trans	-70.4	128.1	165.9	-56.4	0	0	0	0	109.8
12	V	24.1	Very low	22.7	Very low	142 Å²	142	146.8 Å²	146.8	86%	0.861	82%	0.818	S	S	*	*			trans	-125.3	133.5	168.4	179.8	0	0	0	0	108.8
13	V	21.1	Very low	22.7	Very low	117 Å²	117	142.4 Å²	142.4	71%	0.709	81%	0.809	S	S	*	*			trans	-117	110.7	-167.5	154.9	0	0	0	0	109.4
14	W	22.2	Very low	23	Very low	197 Å²	197	141 Å²	141	75%	0.746	80%	0.801	S	S	*	*			trans	53.8	134.7	148.5	-62.9	82.4	0	0	0	122.2	H16	W14-H16 AromaticContact CE3-CE1 3.91Å; W14-H16 AromaticContact CE3-ND1 3.79Å
15	H	21.3	Very low	23.7	Very low	194 Å²	194	139.5 Å²	139.5	90%	0.898	80%	0.801	S	S	*	*			trans	-140.9	151.4	133.2	-104.1	45.4	0	0	0	109.5
16	H	22.9	Very low	24.6	Very low	160 Å²	160	141.2 Å²	141.2	74%	0.741	80%	0.799	S	S	*	*			trans	-86.8	149	-166.5	-85.4	23.6	0	0	0	115.2	W14	W14-H16 AromaticContact CE3-CE1 3.91Å; W14-H16 AromaticContact CE3-ND1 3.79Å
17	G	21.8	Very low	25.9	Very low	77 Å²	77	135.1 Å²	135.1	79%	0.794	78%	0.779	S	S	*	*			trans	-169.8	132.7	166.8	0	0	0	0	0	112.1
18	I	22.8	Very low	27.3	Very low	155 Å²	155	131.7 Å²	131.7	80%	0.795	76%	0.757	S	S	*	*			trans	-120.9	141.1	-168.3	-68.3	162.1	0	0	0	107.3
19	M	20.6	Very low	28.7	Very low	190 Å²	190	125.5 Å²	125.5	94%	0.936	72%	0.724	S	S	*	*			cis	-152.7	164.7	28.4	-159.3	170.4	175.2	0	0	111.3
20	G	19.8	Very low	30.1	Very low	66 Å²	66	119.3 Å²	119.3	68%	0.68	68%	0.681	S	S	*	*			trans	154.2	95.5	157.1	0	0	0	0	0	119.1
21	V	22	Very low	31.4	Very low	131 Å²	131	115.9 Å²	115.9	79%	0.794	65%	0.646	S	S	*	*			trans	61.9	97.9	159.9	-169.3	0	0	0	0	117.8	M23	V21-M23 HydrophobicContact CG1-CG 3.94Å; V21-M23 PolarHBondContact O-N 3.41Å
22	L	25.5	Very low	33	Very low	155 Å²	155	110.1 Å²	110.1	81%	0.812	61%	0.605	S	S	*	*			trans	-59.2	126	144.1	-102.9	76.9	0	0	0	109.1	T24	L22-T24 HydrophobicContact CD2-CG2 4.49Å
23	M	23.6	Very low	34.4	Very low	160 Å²	160	103.5 Å²	103.5	79%	0.788	57%	0.566	S	S	*	*			trans	-121.9	101.3	137.3	-68.3	-160.4	82.5	0	0	107.8	V21	V21-M23 HydrophobicContact CG1-CG 3.94Å; V21-M23 PolarHBondContact O-N 3.41Å
24	T	26.8	Very low	35.9	Very low	98 Å²	98	98.5 Å²	98.5	60%	0.601	54%	0.535	S	S	*	.			trans	-55.1	142.4	153.2	41	0	0	0	0	107.9	L22 R26	L22-T24 HydrophobicContact CD2-CG2 4.49Å; T24-R26 PolarHBondContact O-N 3.46Å
25	P	36.9	Very low	36.8	Very low	125 Å²	125	89.3 Å²	89.3	81%	0.812	50%	0.501	S	S	*	.			trans	-61.3	113	166.9	26.9	-31.5	0	0	0	106.5	G27	P25-G27 PolarHBondContact O-N 2.93Å
26	R	40.6	Very low	37.5	Very low	215 Å²	215	80.5 Å²	80.5	81%	0.811	46%	0.461	S	S	*	.			trans	-59	114.5	165.8	-79.6	-175.1	172.9	-175.2	-2	105.8	T24 L28	T24-R26 PolarHBondContact O-N 3.46Å; R26-L28 PolarHBondContact O-N 3.31Å
27	G	50.2	Low	38.1	Very low	50 Å²	50	73.1 Å²	73.1	52%	0.515	43%	0.427	S	S	.	.			trans	-61	109.2	171.8	0	0	0	0	0	107.8	P25 L29	P25-G27 PolarHBondContact O-N 2.93Å; G27-L29 PolarHBondContact O-N 3.46Å
28	L	55.1	Low	38.8	Very low	44 Å²	44	70.1 Å²	70.1	23%	0.23	39%	0.394	C	S	.	.			trans	-57.4	119.9	-176	-67	171.9	0	0	0	109.2	R26 M58 Y60 N61 F170	R26-L28 PolarHBondContact O-N 3.31Å; L28-M58 HydrophobicContact CD1-SD 4.19Å; L28-Y60 HydrophobicContact CB-CD1 3.95Å; L28-Y60 HydrophobicContact CB-CE1 4.39Å; L28-Y60 HydrophobicContact CD1-CD1 4.44Å; L28-Y60 HydrophobicContact CD1-CE1 4.1Å; L28-N61 PolarHBondContact O-N 3.1Å; L28-F170 HydrophobicContact CB-CD1 3.87Å; L28-F170 HydrophobicContact CB-CE1 4.01Å; L28-F170 HydrophobicContact CB-CG 4.49Å; L28-F170 HydrophobicContact CD1-CB 3.89Å; L28-F170 HydrophobicContact CD1-CD1 3.97Å; L28-F170 HydrophobicContact CD1-CD2 4.17Å; L28-F170 HydrophobicContact CD1-CG 3.74Å; L28-F170 HydrophobicContact CD2-CB 3.94Å; L28-F170 HydrophobicContact CD2-CD1 3.94Å; L28-F170 HydrophobicContact CD2-CG 4.18Å; L28-F170 HydrophobicContact CG-CB 4.49Å; L28-F170 HydrophobicContact CG-CD1 4.13Å; L28-F170 HydrophobicContact CG-CG 4.35Å
29	L	54	Low	39.7	Very low	36 Å²	36	67.8 Å²	67.8	19%	0.188	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	112.3	-173	-177.1	61.2	0	0	0	109.5	G27 N61 L149 A151 D152	G27-L29 PolarHBondContact O-N 3.46Å; L29-N61 HydrophobicContact CD1-CB 4.08Å; L29-L149 WeakPolarHBondContact CD2-O 3.4Å; L29-A151 HydrophobicContact CD2-CB 4.44Å; L29-A151 HydrophobicContact CG-CB 4.1Å; L29-A151 WeakPolarHBondContact O-CA 2.77Å; L29-A151 WeakPolarHBondContact O-CB 3.45Å; L29-D152 PolarHBondContact N-OD2 2.95Å; L29-D152 PolarHBondContact O-N 3.27Å
30	L	53.9	Low	40.4	Very low	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.7	-176.6	-179.8	60.7	0	0	0	110.3	V32 C52 Y60 N61 V62 T63 A153 A155 F170 L220	L30-V32 PolarHBondContact O-N 3.32Å; L30-C52 HydrophobicContact CD2-CB 3.83Å; L30-C52 WeakPolarHBondContact CD2-SG 3.46Å; L30-Y60 HydrophobicContact CB-CG 4.4Å; L30-Y60 HydrophobicContact CD2-CD1 4.49Å; L30-Y60 HydrophobicContact CD2-CD2 3.99Å; L30-Y60 HydrophobicContact CD2-CG 3.97Å; L30-N61 PolarHBondContact N-O 3.38Å; L30-V62 WeakPolarHBondContact O-CA 3.49Å; L30-T63 PolarHBondContact O-N 3.47Å; L30-A153 HydrophobicContact CD1-CB 3.87Å; L30-A155 HydrophobicContact CD1-CB 4.01Å; L30-A155 HydrophobicContact CD2-CB 4.28Å; L30-A155 HydrophobicContact CG-CB 4.27Å; L30-F170 HydrophobicContact CD1-CZ 4.22Å; L30-L220 HydrophobicContact CD1-CD1 3.86Å; L30-L220 HydrophobicContact CD2-CD1 3.8Å
31	T	52	Low	42	Very low	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.6	173.5	-58.1	0	0	0	0	110.4	T63 V65 F141 A145 L149 A151 A153 M154 A155	T31-T63 CarbonylContact C-O 3.51Å; T31-T63 WeakPolarHBondContact CA-O 3.4Å; T31-V65 HydrophobicContact CG2-CB 4.27Å; T31-V65 HydrophobicContact CG2-CG2 3.35Å; T31-F141 HydrophobicContact CG2-CE2 4.15Å; T31-F141 HydrophobicContact CG2-CZ 3.8Å; T31-A145 HydrophobicContact CG2-CB 3.97Å; T31-L149 HydrophobicContact CG2-CD1 3.87Å; T31-A151 WeakPolarHBondContact OG1-CB 3.39Å; T31-A153 PolarHBondContact N-O 3.27Å; T31-M154 CarbonylContact O-C 3.52Å; T31-M154 VanDerWaalsContact O-CA 3.23Å; T31-M154 WeakPolarHBondContact O-CA 3.41Å; T31-A155 PolarHBondContact O-N 2.77Å
32	V	56.4	Low	43.5	Very low	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	124	172	177.3	0	0	0	0	109.8	L30 L34 T48 S49 C52 V62 T63 V65 A155	L30-V32 PolarHBondContact O-N 3.32Å; V32-L34 HydrophobicContact CG1-CD2 4.25Å; V32-L34 PolarHBondContact O-N 3Å; V32-T48 HydrophobicContact CG1-CG2 3.61Å; V32-T48 HydrophobicContact CG2-CG2 4.26Å; V32-S49 WeakPolarHBondContact CG1-OG 3.4Å; V32-C52 HydrophobicContact CG2-CB 4.34Å; V32-V62 HydrophobicContact CB-CG1 4.18Å; V32-V62 HydrophobicContact CG2-CG1 3.57Å; V32-T63 PolarHBondContact N-O 3.45Å; V32-V65 PolarHBondContact O-N 3.46Å; V32-A155 HydrophobicContact CG2-CB 4.01Å
33	S	52.6	Low	44.7	Very low	4 Å²	4	45.3 Å²	45.3	3%	0.028	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	99.8	169.9	-149.6	0	0	0	0	110.2	A35 S45 M67 F141 A155	S33-A35 PolarHBondContact O-N 3.07Å; S33-A35 WeakPolarHBondContact OG-CB 3.49Å; S33-S45 PolarHBondContact O-OG 3.48Å; S33-M67 WeakPolarHBondContact OG-CE 3.32Å; S33-F141 VanDerWaalsContact CB-CE1 3.46Å; S33-F141 VanDerWaalsContact OG-CE1 3.27Å; S33-F141 WeakPolarHBondContact OG-CE1 3.44Å; S33-A155 WeakPolarHBondContact CB-O 3.42Å; S33-A155 PolarHBondContact N-O 3.33Å
34	L	52.4	Low	46.3	Very low	11 Å²	11	37.8 Å²	37.8	6%	0.058	20%	0.203	C	C	.	.			trans	-81.6	9.4	163.9	-61.2	-177.9	0	0	0	111.9	V32 S49 V65 A88 C92 F99	V32-L34 HydrophobicContact CG1-CD2 4.25Å; V32-L34 PolarHBondContact O-N 3Å; L34-S49 WeakPolarHBondContact CD2-OG 3.35Å; L34-V65 CarbonylContact C-O 3.58Å; L34-V65 WeakPolarHBondContact CA-O 3.36Å; L34-V65 WeakPolarHBondContact CB-O 3.41Å; L34-V65 PolarHBondContact N-O 3.36Å; L34-A88 HydrophobicContact CB-CB 4.4Å; L34-C92 WeakPolarHBondContact CD1-SG 3.48Å; L34-F99 HydrophobicContact CD1-CD2 4.23Å; L34-F99 HydrophobicContact CD1-CE2 4.49Å
35	A	41.9	Very low	48	Very low	4 Å²	4	33.3 Å²	33.3	3%	0.033	18%	0.175	C	C	.	.			trans	-48.5	143.1	-174.8	0	0	0	0	0	112.8	S33 L37 V65 M67	S33-A35 PolarHBondContact O-N 3.07Å; S33-A35 WeakPolarHBondContact OG-CB 3.49Å; A35-L37 PolarHBondContact O-N 3.38Å; A35-V65 PolarHBondContact N-O 3.34Å; A35-V65 VanDerWaalsContact N-O 3.11Å; A35-M67 HydrophobicContact CB-CB 3.94Å; A35-M67 HydrophobicContact CB-CE 3.36Å; A35-M67 HydrophobicContact CB-CG 3.64Å; A35-M67 HydrophobicContact CB-SD 3.99Å
36	S	35.4	Very low	49.3	Very low	9 Å²	9	27.4 Å²	27.4	6%	0.063	14%	0.137	C	C	.	.			trans	-64.2	64.3	-177.4	-164.9	0	0	0	0	113.7	S38 F254	S36-S38 PolarHBondContact O-N 3.11Å; S36-F254 WeakPolarHBondContact O-CD1 3.29Å; S36-F254 WeakPolarHBondContact O-CE1 3.43Å
37	L	35.6	Very low	50.2	Low	5 Å²	5	17.2 Å²	17.2	3%	0.026	10%	0.099	C	C	.	.			trans	-74.3	73.2	161.7	-82.4	162.7	0	0	0	107.3	A35 R39 R41 K137	A35-L37 PolarHBondContact O-N 3.38Å; L37-R39 PolarHBondContact O-N 3.02Å; L37-R41 HydrophobicContact CB-CB 3.56Å; L37-R41 HydrophobicContact CB-CG 3.71Å; L37-R41 VanDerWaalsContact CD2-CZ 3.48Å; L37-R41 WeakPolarHBondContact O-CB 3.48Å; L37-R41 PolarHBondContact O-N 3.02Å; L37-K137 HydrophobicContact CD1-CD 4.16Å
38	S	37.4	Very low	50.8	Low	15 Å²	15	14.8 Å²	14.8	11%	0.105	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	19.5	97.2	161.9	57.7	0	0	0	0	113.5	S36 S40 S249	S36-S38 PolarHBondContact O-N 3.11Å; S38-S40 WeakPolarHBondContact O-CB 3.31Å; S38-S40 PolarHBondContact O-N 3.48Å; S38-S40 PolarHBondContact O-OG 2.67Å; S38-S249 VanDerWaalsContact CB-CB 3.41Å; S38-S249 WeakPolarHBondContact CB-OG 3.3Å; S38-S249 WeakPolarHBondContact O-CB 3.47Å; S38-S249 PolarHBondContact O-OG 2.9Å; S38-S249 VanDerWaalsContact O-OG 3.14Å
39	R	40.5	Very low	51.2	Low	106 Å²	106	12.7 Å²	12.7	40%	0.4	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.9	-51.7	174.7	-52	-179.6	178.7	166.8	1	118.5	L37 R41 K246 K247 S249	L37-R39 PolarHBondContact O-N 3.02Å; R39-R41 VanDerWaalsContact C-N 3.33Å; R39-R41 PolarHBondContact O-N 3.21Å; R39-K246 HydrophobicContact CB-CB 4.41Å; R39-K246 HydrophobicContact CB-CD 4.49Å; R39-K247 WeakPolarHBondContact CB-O 3.07Å; R39-S249 VanDerWaalsContact CB-OG 3.28Å; R39-S249 WeakPolarHBondContact CB-OG 3.42Å; R39-S249 WeakPolarHBondContact CG-OG 3.32Å; R39-S249 PolarHBondContact N-OG 3.47Å
40	S	36.6	Very low	51.7	Low	14 Å²	14	12.2 Å²	12.2	10%	0.098	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-35.1	173.2	61	0	0	0	0	116.9	S38 K228	S38-S40 WeakPolarHBondContact O-CB 3.31Å; S38-S40 PolarHBondContact O-N 3.48Å; S38-S40 PolarHBondContact O-OG 2.67Å; S40-K228 PolarHBondContact O-NZ 3.05Å; S40-K228 VanDerWaalsContact O-NZ 3.17Å
41	R	51.6	Low	52.4	Low	27 Å²	27	13.8 Å²	13.8	10%	0.102	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	2.5	-170.7	-37.6	-161.9	-152.5	177.6	1.5	113.8	L37 R39 T43 A44 S45 H158	L37-R41 HydrophobicContact CB-CB 3.56Å; L37-R41 HydrophobicContact CB-CG 3.71Å; L37-R41 VanDerWaalsContact CD2-CZ 3.48Å; L37-R41 WeakPolarHBondContact O-CB 3.48Å; L37-R41 PolarHBondContact O-N 3.02Å; R39-R41 VanDerWaalsContact C-N 3.33Å; R39-R41 PolarHBondContact O-N 3.21Å; R41-T43 VanDerWaalsContact C-N 3.27Å; R41-T43 PolarHBondContact O-N 3.47Å; R41-A44 HydrophobicContact CB-CB 4.12Å; R41-A44 WeakPolarHBondContact O-CA 3.43Å; R41-A44 VanDerWaalsContact O-CB 3.31Å; R41-A44 WeakPolarHBondContact O-CB 3.46Å; R41-A44 PolarHBondContact O-N 3.45Å; R41-S45 PolarHBondContact O-N 2.99Å; R41-H158 PolarHBondContact NH1-CD2 2.88Å; R41-H158 PolarHBondContact NH1-NE2 3.25Å; R41-H158 VanDerWaalsContact NH1-NE2 3.18Å
42	V	54.7	Low	52.9	Low	18 Å²	18	14 Å²	14	11%	0.109	7%	0.07	C	C	.	.	H	α-helix	trans	-58.1	-43.7	168.1	-174.3	0	0	0	0	109.7	A44 S45 V46 V243	V42-A44 VanDerWaalsContact C-N 3.26Å; V42-A44 PolarHBondContact O-N 2.96Å; V42-S45 PolarHBondContact O-N 3.08Å; V42-V46 HydrophobicContact CG1-CG2 4.3Å; V42-V46 WeakPolarHBondContact O-CB 3.38Å; V42-V46 WeakPolarHBondContact O-CG2 3.43Å; V42-V46 PolarHBondContact O-N 3.04Å; V42-V243 HydrophobicContact CB-CG1 3.78Å; V42-V243 HydrophobicContact CG1-CG1 3.6Å; V42-V243 HydrophobicContact CG1-CG2 4.42Å
43	T	50.8	Low	53.1	Low	10 Å²	10	18.6 Å²	18.6	6%	0.061	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-36.2	172.8	-38.7	0	0	0	0	112.8	R41 V47 V231 A235 L244	R41-T43 VanDerWaalsContact C-N 3.27Å; R41-T43 PolarHBondContact O-N 3.47Å; T43-V47 WeakPolarHBondContact O-CB 3.35Å; T43-V47 WeakPolarHBondContact O-CG2 3.26Å; T43-V47 PolarHBondContact O-N 3.29Å; T43-V47 VanDerWaalsContact O-N 3.11Å; T43-V231 HydrophobicContact CG2-CG1 4.35Å; T43-A235 HydrophobicContact CG2-CB 3.78Å; T43-L244 HydrophobicContact CG2-CD2 3.57Å
44	A	56.9	Low	53.4	Low	2 Å²	2	22.1 Å²	22.1	2%	0.017	11%	0.109	C	C	.	.	H	α-helix	trans	-68.1	-50.4	178.9	0	0	0	0	0	110.2	R41 V42 V46 V47 T48 G157 L223	R41-A44 HydrophobicContact CB-CB 4.12Å; R41-A44 WeakPolarHBondContact O-CA 3.43Å; R41-A44 VanDerWaalsContact O-CB 3.31Å; R41-A44 WeakPolarHBondContact O-CB 3.46Å; R41-A44 PolarHBondContact O-N 3.45Å; V42-A44 VanDerWaalsContact C-N 3.26Å; V42-A44 PolarHBondContact O-N 2.96Å; A44-V46 PolarHBondContact O-N 3.47Å; A44-V47 PolarHBondContact O-N 2.76Å; A44-T48 WeakPolarHBondContact O-CB 3.44Å; A44-T48 PolarHBondContact O-N 3.44Å; A44-T48 PolarHBondContact O-OG1 3.33Å; A44-G157 WeakPolarHBondContact CB-O 3.4Å; A44-L223 HydrophobicContact CB-CD1 3.53Å
45	S	62.7	Low	53.9	Low	4 Å²	4	24 Å²	24	3%	0.028	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-39.4	175.5	-69.6	0	0	0	0	113.3	S33 R41 V42 V47 T48 S49	S33-S45 PolarHBondContact O-OG 3.48Å; R41-S45 PolarHBondContact O-N 2.99Å; V42-S45 PolarHBondContact O-N 3.08Å; S45-V47 PolarHBondContact O-N 2.72Å; S45-T48 WeakPolarHBondContact O-CB 3.47Å; S45-T48 PolarHBondContact O-N 2.94Å; S45-S49 PolarHBondContact O-N 2.85Å; S45-S49 PolarHBondContact O-OG 3.26Å
46	V	63.4	Low	54.2	Low	2 Å²	2	33.6 Å²	33.6	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-55.6	-50.4	172.3	166.6	0	0	0	0	111	V42 A44 S49 L50 V91 F240 V243	V42-V46 HydrophobicContact CG1-CG2 4.3Å; V42-V46 WeakPolarHBondContact O-CB 3.38Å; V42-V46 WeakPolarHBondContact O-CG2 3.43Å; V42-V46 PolarHBondContact O-N 3.04Å; A44-V46 PolarHBondContact O-N 3.47Å; V46-S49 PolarHBondContact O-N 3.49Å; V46-L50 WeakPolarHBondContact O-CB 3.49Å; V46-L50 PolarHBondContact O-N 3.28Å; V46-V91 HydrophobicContact CB-CG1 4.36Å; V46-V91 HydrophobicContact CG2-CB 4.24Å; V46-V91 HydrophobicContact CG2-CG1 3.69Å; V46-V91 HydrophobicContact CG2-CG2 3.54Å; V46-F240 HydrophobicContact CG1-CB 4.12Å; V46-F240 HydrophobicContact CG1-CD1 4.24Å; V46-F240 HydrophobicContact CG1-CD2 3.4Å; V46-F240 HydrophobicContact CG1-CE2 3.82Å; V46-F240 HydrophobicContact CG1-CG 3.64Å; V46-F240 HydrophobicContact CG1-CZ 4.41Å; V46-V243 HydrophobicContact CG2-CG2 4.37Å
47	V	59.7	Low	54.8	Low	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-75.4	-31.6	-176.7	173.9	0	0	0	0	111.5	T43 A44 S45 L50 I51 L223 V231 M234 A235	T43-V47 WeakPolarHBondContact O-CB 3.35Å; T43-V47 WeakPolarHBondContact O-CG2 3.26Å; T43-V47 PolarHBondContact O-N 3.29Å; T43-V47 VanDerWaalsContact O-N 3.11Å; A44-V47 PolarHBondContact O-N 2.76Å; S45-V47 PolarHBondContact O-N 2.72Å; V47-L50 PolarHBondContact O-N 2.96Å; V47-I51 HydrophobicContact CG1-CD1 3.65Å; V47-I51 HydrophobicContact CG1-CG1 4.17Å; V47-I51 WeakPolarHBondContact O-CB 3.43Å; V47-I51 WeakPolarHBondContact O-CD1 3.4Å; V47-I51 WeakPolarHBondContact O-CG1 3.42Å; V47-I51 PolarHBondContact O-N 3.42Å; V47-L223 HydrophobicContact CB-CD2 4.28Å; V47-L223 HydrophobicContact CG1-CD2 3.86Å; V47-V231 HydrophobicContact CB-CG1 3.93Å; V47-V231 HydrophobicContact CG1-CG1 4.11Å; V47-V231 HydrophobicContact CG1-CG2 4.38Å; V47-V231 HydrophobicContact CG2-CG1 3.88Å; V47-V231 WeakPolarHBondContact CG2-O 3.45Å; V47-M234 HydrophobicContact CG1-CB 4.26Å; V47-M234 HydrophobicContact CG1-CE 4.09Å; V47-M234 HydrophobicContact CG1-SD 3.82Å; V47-M234 HydrophobicContact CG2-CB 4.24Å; V47-A235 HydrophobicContact CG2-CB 3.81Å
48	T	63.6	Low	55.7	Low	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.4	-52.8	165.8	-65.7	0	0	0	0	110.9	V32 A44 S45 L50 I51 C52 A155 G157 P222	V32-T48 HydrophobicContact CG1-CG2 3.61Å; V32-T48 HydrophobicContact CG2-CG2 4.26Å; A44-T48 WeakPolarHBondContact O-CB 3.44Å; A44-T48 PolarHBondContact O-N 3.44Å; A44-T48 PolarHBondContact O-OG1 3.33Å; S45-T48 WeakPolarHBondContact O-CB 3.47Å; S45-T48 PolarHBondContact O-N 2.94Å; T48-L50 PolarHBondContact O-N 3.04Å; T48-I51 PolarHBondContact O-N 3.12Å; T48-C52 WeakPolarHBondContact O-CB 3.19Å; T48-C52 PolarHBondContact O-N 3.12Å; T48-C52 PolarHBondContact O-SG 2.86Å; T48-A155 HydrophobicContact CG2-CB 3.94Å; T48-G157 WeakPolarHBondContact OG1-CA 3.4Å; T48-P222 HydrophobicContact CG2-CB 4.39Å; T48-P222 HydrophobicContact CG2-CG 3.88Å
49	S	63.1	Low	56.8	Low	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-42.8	176.2	-69.9	0	0	0	0	112.7	V32 L34 S45 V46 R53	V32-S49 WeakPolarHBondContact CG1-OG 3.4Å; L34-S49 WeakPolarHBondContact CD2-OG 3.35Å; S45-S49 PolarHBondContact O-N 2.85Å; S45-S49 PolarHBondContact O-OG 3.26Å; V46-S49 PolarHBondContact O-N 3.49Å; S49-R53 WeakPolarHBondContact O-CB 3.36Å; S49-R53 PolarHBondContact O-N 3.37Å
50	L	64.8	Low	58.4	Low	25 Å²	25	40.8 Å²	40.8	13%	0.131	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-49.3	177.4	-176.8	70.6	0	0	0	111.8	V46 V47 T48 R53 T54 L95 A238	V46-L50 WeakPolarHBondContact O-CB 3.49Å; V46-L50 PolarHBondContact O-N 3.28Å; V47-L50 PolarHBondContact O-N 2.96Å; T48-L50 PolarHBondContact O-N 3.04Å; L50-R53 PolarHBondContact O-N 3.46Å; L50-T54 HydrophobicContact CD1-CG2 3.84Å; L50-T54 HydrophobicContact CG-CG2 4.35Å; L50-T54 VanDerWaalsContact O-CB 3.32Å; L50-T54 WeakPolarHBondContact O-CB 3.33Å; L50-T54 VanDerWaalsContact O-CG2 3.29Å; L50-T54 WeakPolarHBondContact O-CG2 3.44Å; L50-T54 PolarHBondContact O-N 2.94Å; L50-T54 PolarHBondContact O-OG1 2.99Å; L50-L95 HydrophobicContact CD1-CD2 3.9Å; L50-A238 HydrophobicContact CD1-CB 4.17Å; L50-A238 HydrophobicContact CD2-CB 3.73Å
51	I	67.3	Low	60.4	Low	34 Å²	34	44.1 Å²	44.1	17%	0.174	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-50.1	178.1	-70.6	164.3	0	0	0	109.9	V47 T48 R53 T54 N55 P222 L223 L226 M234	V47-I51 HydrophobicContact CG1-CD1 3.65Å; V47-I51 HydrophobicContact CG1-CG1 4.17Å; V47-I51 WeakPolarHBondContact O-CB 3.43Å; V47-I51 WeakPolarHBondContact O-CD1 3.4Å; V47-I51 WeakPolarHBondContact O-CG1 3.42Å; V47-I51 PolarHBondContact O-N 3.42Å; T48-I51 PolarHBondContact O-N 3.12Å; I51-R53 VanDerWaalsContact C-N 3.31Å; I51-R53 PolarHBondContact O-N 3.13Å; I51-T54 PolarHBondContact O-N 3.48Å; I51-N55 WeakPolarHBondContact O-CB 3.19Å; I51-N55 PolarHBondContact O-N 3.09Å; I51-P222 HydrophobicContact CB-CB 4.3Å; I51-P222 HydrophobicContact CD1-CB 4.39Å; I51-P222 WeakPolarHBondContact CD1-O 3.2Å; I51-P222 HydrophobicContact CG2-CB 3.98Å; I51-L223 HydrophobicContact CD1-CD2 4.04Å; I51-L226 HydrophobicContact CD1-CD1 3.5Å; I51-M234 HydrophobicContact CD1-CE 4.09Å; I51-M234 HydrophobicContact CD1-SD 4.48Å; I51-M234 HydrophobicContact CG1-CE 3.69Å
52	C	62.9	Low	61.9	Low	3 Å²	3	43 Å²	43	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-37	178.6	-66.4	0	0	0	0	112.9	L30 V32 T48 Y60 V62	L30-C52 HydrophobicContact CD2-CB 3.83Å; L30-C52 WeakPolarHBondContact CD2-SG 3.46Å; V32-C52 HydrophobicContact CG2-CB 4.34Å; T48-C52 WeakPolarHBondContact O-CB 3.19Å; T48-C52 PolarHBondContact O-N 3.12Å; T48-C52 PolarHBondContact O-SG 2.86Å; C52-Y60 HydrophobicContact CB-CD2 4.3Å; C52-Y60 WeakPolarHBondContact O-CD2 3.11Å; C52-V62 HydrophobicContact CB-CG2 3.67Å
53	R	60.9	Low	63.3	Low	97 Å²	97	42.8 Å²	42.8	37%	0.366	22%	0.221	S	C	.	.	H	α-helix	trans	-76.4	-31.7	179.8	-172.8	64.7	174.7	102	-4.7	113.5	S49 L50 I51	S49-R53 WeakPolarHBondContact O-CB 3.36Å; S49-R53 PolarHBondContact O-N 3.37Å; L50-R53 PolarHBondContact O-N 3.46Å; I51-R53 VanDerWaalsContact C-N 3.31Å; I51-R53 PolarHBondContact O-N 3.13Å
54	T	59.1	Low	65	Low	79 Å²	79	42.3 Å²	42.3	49%	0.485	22%	0.218	S	C	.	.	H	α-helix	trans	-104.1	-1.8	-172.2	63.2	0	0	0	0	114.7	L50 I51 K56	L50-T54 HydrophobicContact CD1-CG2 3.84Å; L50-T54 HydrophobicContact CG-CG2 4.35Å; L50-T54 VanDerWaalsContact O-CB 3.32Å; L50-T54 WeakPolarHBondContact O-CB 3.33Å; L50-T54 VanDerWaalsContact O-CG2 3.29Å; L50-T54 WeakPolarHBondContact O-CG2 3.44Å; L50-T54 PolarHBondContact O-N 2.94Å; L50-T54 PolarHBondContact O-OG1 2.99Å; I51-T54 PolarHBondContact O-N 3.48Å; T54-K56 PolarHBondContact O-N 3.38Å
55	N	62.1	Low	66.4	Low	51 Å²	51	42.2 Å²	42.2	27%	0.273	22%	0.218	S	C	.	.			trans	-60.9	110.9	178.5	-172.1	-14	0	0	0	110.1	I51 N57 M58	I51-N55 WeakPolarHBondContact O-CB 3.19Å; I51-N55 PolarHBondContact O-N 3.09Å; N55-N57 PolarHBondContact O-N 3.45Å; N55-N57 PolarHBondContact OD1-N 2.95Å; N55-N57 VanDerWaalsContact OD1-N 3.11Å; N55-M58 CarbonylContact O-C 3.55Å; N55-M58 PolarHBondContact O-N 3.43Å; N55-M58 VanDerWaalsContact O-O 3.08Å
56	K	48.4	Very low	67.6	Low	205 Å²	205	42.1 Å²	42.1	89%	0.891	22%	0.217	S	C	*	.	S	Bend	trans	-68.7	-19	-174.6	-67.1	-174.3	177.3	-178.7	0	113.6	T54	T54-K56 PolarHBondContact O-N 3.38Å
57	N	47.8	Very low	68.7	Low	136 Å²	136	42 Å²	42	73%	0.727	22%	0.216	S	C	*	.	S	Bend	trans	-90.2	-26	-179.1	-63.1	-0	0	0	0	112	N55	N55-N57 PolarHBondContact O-N 3.45Å; N55-N57 PolarHBondContact OD1-N 2.95Å; N55-N57 VanDerWaalsContact OD1-N 3.11Å
58	M	55.2	Low	70	Confident	44 Å²	44	44 Å²	44	22%	0.217	23%	0.225	C	C	.	.			trans	-139.8	106.2	-177.8	-74.4	-67.8	-174.6	0	0	110.6	L28 N55 Y60 E167	L28-M58 HydrophobicContact CD1-SD 4.19Å; N55-M58 CarbonylContact O-C 3.55Å; N55-M58 PolarHBondContact O-N 3.43Å; N55-M58 VanDerWaalsContact O-O 3.08Å; M58-Y60 HydrophobicContact CB-CD1 4.45Å; M58-Y60 HydrophobicContact CB-CD2 4.4Å; M58-Y60 HydrophobicContact CB-CE1 3.79Å; M58-Y60 HydrophobicContact CB-CE2 3.78Å; M58-Y60 VanDerWaalsContact CB-CZ 3.42Å; M58-Y60 WeakPolarHBondContact CB-OH 3.38Å; M58-Y60 HydrophobicContact CG-CE1 4.33Å; M58-Y60 PolarHBondContact O-N 2.91Å; M58-Y60 VanDerWaalsContact O-N 3.08Å; M58-E167 HydrophobicContact CE-CB 4.22Å; M58-E167 HydrophobicContact CE-CG 3.67Å; M58-E167 WeakPolarHBondContact CE-OE1 3.36Å
59	C	61	Low	71.1	Confident	99 Å²	99	44.1 Å²	44.1	67%	0.669	23%	0.225	S	C	*	.			trans	-81.3	84.5	176.2	-166.7	0	0	0	0	110.1
60	Y	73.8	Confident	72.1	Confident	6 Å²	6	44.5 Å²	44.5	2%	0.024	23%	0.227	C	C	.	.			trans	-70.4	136.9	175.9	-58	-59.4	0	0	0	111.2	L28 L30 C52 M58 V62 F170	L28-Y60 HydrophobicContact CB-CD1 3.95Å; L28-Y60 HydrophobicContact CB-CE1 4.39Å; L28-Y60 HydrophobicContact CD1-CD1 4.44Å; L28-Y60 HydrophobicContact CD1-CE1 4.1Å; L30-Y60 HydrophobicContact CB-CG 4.4Å; L30-Y60 HydrophobicContact CD2-CD1 4.49Å; L30-Y60 HydrophobicContact CD2-CD2 3.99Å; L30-Y60 HydrophobicContact CD2-CG 3.97Å; C52-Y60 HydrophobicContact CB-CD2 4.3Å; C52-Y60 WeakPolarHBondContact O-CD2 3.11Å; M58-Y60 HydrophobicContact CB-CD1 4.45Å; M58-Y60 HydrophobicContact CB-CD2 4.4Å; M58-Y60 HydrophobicContact CB-CE1 3.79Å; M58-Y60 HydrophobicContact CB-CE2 3.78Å; M58-Y60 VanDerWaalsContact CB-CZ 3.42Å; M58-Y60 WeakPolarHBondContact CB-OH 3.38Å; M58-Y60 HydrophobicContact CG-CE1 4.33Å; M58-Y60 PolarHBondContact O-N 2.91Å; M58-Y60 VanDerWaalsContact O-N 3.08Å; Y60-V62 PolarHBondContact O-N 3.08Å; Y60-F170 HydrophobicContact CD1-CE1 4.11Å; Y60-F170 HydrophobicContact CD1-CE2 4.07Å; Y60-F170 AromaticContact CD1-CZ 3.62Å; Y60-F170 HydrophobicContact CD1-CZ 3.62Å; Y60-F170 AromaticContact CE1-CD2 3.88Å; Y60-F170 HydrophobicContact CE1-CD2 3.88Å; Y60-F170 AromaticContact CE1-CE1 3.97Å; Y60-F170 HydrophobicContact CE1-CE1 3.97Å; Y60-F170 AromaticContact CE1-CE2 3.17Å; Y60-F170 HydrophobicContact CE1-CE2 3.17Å; Y60-F170 AromaticContact CE1-CZ 3.21Å; Y60-F170 HydrophobicContact CE1-CZ 3.21Å; Y60-F170 AromaticContact CZ-CE2 3.55Å; Y60-F170 AromaticContact CZ-CZ 3.87Å; Y60-F170 WeakPolarHBondContact OH-CE2 3.04Å
61	N	79.3	Confident	72.6	Confident	85 Å²	85	45.3 Å²	45.3	46%	0.455	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	106.1	163	-173.9	10.8	0	0	0	107.6	L28 L29 L30	L28-N61 PolarHBondContact O-N 3.1Å; L29-N61 HydrophobicContact CD1-CB 4.08Å; L30-N61 PolarHBondContact N-O 3.38Å
62	V	82.9	Confident	72.6	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.6	-170.4	173.6	0	0	0	0	110.7	L30 V32 C52 Y60 I97 P98	L30-V62 WeakPolarHBondContact O-CA 3.49Å; V32-V62 HydrophobicContact CB-CG1 4.18Å; V32-V62 HydrophobicContact CG2-CG1 3.57Å; C52-V62 HydrophobicContact CB-CG2 3.67Å; Y60-V62 PolarHBondContact O-N 3.08Å; V62-I97 HydrophobicContact CB-CG2 3.96Å; V62-I97 HydrophobicContact CG1-CD1 4.07Å; V62-I97 HydrophobicContact CG1-CG2 4.1Å; V62-I97 WeakPolarHBondContact O-CB 3.49Å; V62-I97 WeakPolarHBondContact O-CG2 3.37Å; V62-P98 WeakPolarHBondContact O-CD 3.45Å
63	T	84.1	Confident	72.3	Confident	13 Å²	13	50.7 Å²	50.7	8%	0.08	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.4	169.6	-66.6	0	0	0	0	110.1	L30 T31 V32 V65 P98 H100 L149	L30-T63 PolarHBondContact O-N 3.47Å; T31-T63 CarbonylContact C-O 3.51Å; T31-T63 WeakPolarHBondContact CA-O 3.4Å; V32-T63 PolarHBondContact N-O 3.45Å; T63-V65 HydrophobicContact CG2-CG2 4.29Å; T63-P98 HydrophobicContact CG2-CB 4.31Å; T63-H100 VanDerWaalsContact CG2-CD2 3.45Å; T63-H100 WeakPolarHBondContact CG2-CD2 3.33Å; T63-L149 HydrophobicContact CG2-CD1 4.2Å
64	G	85.9	Confident	71.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.5	175.5	0	0	0	0	0	112.3	P98 F99 H100	G64-P98 PolarHBondContact N-O 2.82Å; G64-F99 CarbonylContact O-C 3.42Å; G64-F99 WeakPolarHBondContact O-CA 3.29Å; G64-H100 PolarHBondContact O-N 2.95Å
65	V	87.3	Confident	71.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.4	178.3	-173.9	0	0	0	0	112.5	T31 V32 L34 A35 T63 H100 V102 F141 Y144 L149	T31-V65 HydrophobicContact CG2-CB 4.27Å; T31-V65 HydrophobicContact CG2-CG2 3.35Å; V32-V65 PolarHBondContact O-N 3.46Å; L34-V65 CarbonylContact C-O 3.58Å; L34-V65 WeakPolarHBondContact CA-O 3.36Å; L34-V65 WeakPolarHBondContact CB-O 3.41Å; L34-V65 PolarHBondContact N-O 3.36Å; A35-V65 PolarHBondContact N-O 3.34Å; A35-V65 VanDerWaalsContact N-O 3.11Å; T63-V65 HydrophobicContact CG2-CG2 4.29Å; V65-H100 CarbonylContact C-O 3.56Å; V65-H100 WeakPolarHBondContact CA-O 3.43Å; V65-H100 HydrophobicContact CG1-CB 4.47Å; V65-H100 HydrophobicContact CG2-CB 4.27Å; V65-V102 HydrophobicContact CG1-CG1 3.89Å; V65-F141 HydrophobicContact CB-CE2 3.66Å; V65-F141 HydrophobicContact CB-CZ 4.26Å; V65-F141 HydrophobicContact CG1-CD2 4.31Å; V65-F141 HydrophobicContact CG1-CE2 3.72Å; V65-F141 HydrophobicContact CG2-CE2 4.12Å; V65-Y144 HydrophobicContact CG1-CE1 4.08Å; V65-L149 HydrophobicContact CG2-CD1 3.64Å
66	F	87.1	Confident	71.2	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.009	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.2	173.4	-175.3	-90.1	0	0	0	111.4	T81 D84 C85 A88 F99 H100 Q101 V102	F66-T81 HydrophobicContact CE1-CG2 4.28Å; F66-T81 HydrophobicContact CZ-CG2 4.23Å; F66-D84 HydrophobicContact CE2-CB 4.38Å; F66-D84 WeakPolarHBondContact CE2-O 3.47Å; F66-C85 HydrophobicContact CD1-CB 4.02Å; F66-C85 HydrophobicContact CD2-CB 4.45Å; F66-C85 HydrophobicContact CE1-CB 3.59Å; F66-C85 HydrophobicContact CE2-CB 4.05Å; F66-C85 HydrophobicContact CG-CB 4.42Å; F66-C85 HydrophobicContact CZ-CB 3.57Å; F66-A88 HydrophobicContact CD2-CB 3.79Å; F66-A88 HydrophobicContact CE2-CB 4.41Å; F66-F99 HydrophobicContact CB-CE2 3.73Å; F66-F99 HydrophobicContact CB-CZ 3.62Å; F66-F99 HydrophobicContact CG-CZ 4.39Å; F66-H100 PolarHBondContact N-O 3.35Å; F66-Q101 HydrophobicContact CD1-CG 4.3Å; F66-Q101 WeakPolarHBondContact O-CA 3.4Å; F66-V102 PolarHBondContact O-N 3.33Å
67	M	87.1	Confident	71.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122	177.6	-60	-171.7	-133	0	0	111.4	S33 A35 N69 V102 Y104 I136 K137 F141	S33-M67 WeakPolarHBondContact OG-CE 3.32Å; A35-M67 HydrophobicContact CB-CB 3.94Å; A35-M67 HydrophobicContact CB-CE 3.36Å; A35-M67 HydrophobicContact CB-CG 3.64Å; A35-M67 HydrophobicContact CB-SD 3.99Å; M67-N69 WeakPolarHBondContact CB-OD1 3.47Å; M67-V102 CarbonylContact C-O 3.55Å; M67-V102 WeakPolarHBondContact CA-O 3.26Å; M67-V102 HydrophobicContact CB-CG1 4.49Å; M67-V102 HydrophobicContact CG-CG1 4.02Å; M67-Y104 HydrophobicContact CB-CD2 4.3Å; M67-Y104 HydrophobicContact CG-CD2 4.01Å; M67-Y104 HydrophobicContact CG-CE2 3.87Å; M67-Y104 HydrophobicContact SD-CD2 3.73Å; M67-Y104 HydrophobicContact SD-CE2 3.72Å; M67-I136 HydrophobicContact SD-CG2 4.05Å; M67-K137 HydrophobicContact CE-CB 4.3Å; M67-K137 HydrophobicContact CE-CG 4.04Å; M67-F141 HydrophobicContact CE-CB 3.48Å; M67-F141 VanDerWaalsContact CE-CB 3.48Å; M67-F141 HydrophobicContact CE-CD1 3.63Å; M67-F141 HydrophobicContact CE-CD2 3.83Å; M67-F141 HydrophobicContact CE-CE1 4.36Å; M67-F141 HydrophobicContact CE-CG 3.32Å; M67-F141 HydrophobicContact CG-CD2 4.42Å; M67-F141 HydrophobicContact SD-CB 3.88Å; M67-F141 HydrophobicContact SD-CD2 4.42Å; M67-F141 HydrophobicContact SD-CG 4.18Å
68	K	87.3	Confident	71.7	Confident	43 Å²	43	45.3 Å²	45.3	19%	0.187	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	107.3	163.8	-172.2	-173.4	-173.7	-172.2	0	108.9	W70 D71 T81 V102 S103 Y104 V105	K68-W70 WeakPolarHBondContact CE-O 3.5Å; K68-D71 WeakPolarHBondContact CE-OD2 3.22Å; K68-D71 IonicContact NZ-OD1 3.59Å; K68-D71 PolarHBondContact NZ-OD1 3.39Å; K68-D71 IonicContact NZ-OD2 2.76Å; K68-D71 PolarHBondContact NZ-OD2 3.25Å; K68-T81 HydrophobicContact CG-CG2 4.13Å; K68-V102 PolarHBondContact N-O 2.98Å; K68-S103 CarbonylContact O-C 3.36Å; K68-S103 VanDerWaalsContact O-CA 3.3Å; K68-S103 WeakPolarHBondContact O-CA 3.44Å; K68-S103 PolarHBondContact O-OG 3.11Å; K68-Y104 PolarHBondContact O-N 3.08Å; K68-V105 HydrophobicContact CD-CG2 4.49Å; K68-V105 HydrophobicContact CG-CG2 4.21Å; K68-V105 WeakPolarHBondContact O-CG2 3.44Å; K68-V105 PolarHBondContact O-N 3.35Å
69	N	85.8	Confident	71.7	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	27%	0.267	C	S	.	.			trans	-119.6	-1.3	-173.8	-61.7	-11.5	0	0	0	113.9	M67 Y104 Y108 I136 F254	M67-N69 WeakPolarHBondContact CB-OD1 3.47Å; N69-Y104 VanDerWaalsContact OD1-CB 3.31Å; N69-Y104 WeakPolarHBondContact OD1-CB 3.46Å; N69-Y104 PolarHBondContact OD1-N 3.11Å; N69-Y108 HydrophobicContact CB-CD2 4.33Å; N69-Y108 HydrophobicContact CB-CG 4.3Å; N69-Y108 VanDerWaalsContact O-CB 3.32Å; N69-Y108 WeakPolarHBondContact O-CB 3.43Å; N69-Y108 WeakPolarHBondContact O-CD1 3.45Å; N69-I136 WeakPolarHBondContact ND2-CG2 3.5Å; N69-F254 HydrophobicContact CB-CB 4.2Å; N69-F254 HydrophobicContact CB-CD1 3.91Å; N69-F254 HydrophobicContact CB-CD2 3.62Å; N69-F254 HydrophobicContact CB-CE1 4.17Å; N69-F254 HydrophobicContact CB-CE2 3.88Å; N69-F254 HydrophobicContact CB-CG 3.65Å; N69-F254 HydrophobicContact CB-CZ 4.2Å; N69-F254 WeakPolarHBondContact ND2-CE1 3.4Å; N69-F254 WeakPolarHBondContact ND2-CE2 3.47Å; N69-F254 WeakPolarHBondContact ND2-CZ 3.31Å
70	W	83.5	Confident	72	Confident	9 Å²	9	41.4 Å²	41.4	3%	0.034	25%	0.246	C	C	.	.			trans	-137.8	143.9	171.3	-163.9	-102.1	0	0	0	107.9	K68 E75 Y108 W109 F113 F254 V255 F263	K68-W70 WeakPolarHBondContact CE-O 3.5Å; W70-E75 PolarHBondContact NE1-OE2 2.84Å; W70-Y108 AromaticContact CE3-CD1 3.68Å; W70-Y108 HydrophobicContact CE3-CD1 3.68Å; W70-Y108 AromaticContact CE3-CE1 3.5Å; W70-Y108 HydrophobicContact CE3-CE1 3.5Å; W70-Y108 VanDerWaalsContact CE3-CE1 3.5Å; W70-Y108 AromaticContact CZ3-CD1 3.94Å; W70-Y108 HydrophobicContact CZ3-CD1 3.94Å; W70-Y108 AromaticContact CZ3-CE1 3.65Å; W70-Y108 HydrophobicContact CZ3-CE1 3.65Å; W70-W109 HydrophobicContact CH2-CE3 4Å; W70-W109 AromaticContact CH2-CZ3 3.73Å; W70-W109 HydrophobicContact CH2-CZ3 3.73Å; W70-W109 HydrophobicContact CZ2-CZ3 4.47Å; W70-W109 AromaticContact CZ3-CE3 3.96Å; W70-W109 HydrophobicContact CZ3-CE3 3.96Å; W70-W109 HydrophobicContact CZ3-CZ3 4.18Å; W70-F113 AromaticContact CH2-CD1 3.77Å; W70-F113 HydrophobicContact CH2-CD1 3.77Å; W70-F113 AromaticContact CH2-CD2 3.79Å; W70-F113 HydrophobicContact CH2-CD2 3.79Å; W70-F113 AromaticContact CH2-CE1 3.74Å; W70-F113 HydrophobicContact CH2-CE1 3.74Å; W70-F113 AromaticContact CH2-CE2 3.78Å; W70-F113 HydrophobicContact CH2-CE2 3.78Å; W70-F113 AromaticContact CH2-CG 3.79Å; W70-F113 HydrophobicContact CH2-CG 3.79Å; W70-F113 AromaticContact CH2-CZ 3.75Å; W70-F113 HydrophobicContact CH2-CZ 3.75Å; W70-F113 HydrophobicContact CZ3-CB 4.11Å; W70-F113 HydrophobicContact CZ3-CD1 4.06Å; W70-F113 AromaticContact CZ3-CD2 3.86Å; W70-F113 HydrophobicContact CZ3-CD2 3.86Å; W70-F113 HydrophobicContact CZ3-CE1 4.47Å; W70-F113 HydrophobicContact CZ3-CE2 4.31Å; W70-F113 AromaticContact CZ3-CG 3.73Å; W70-F113 HydrophobicContact CZ3-CG 3.73Å; W70-F254 HydrophobicContact CB-CB 4.06Å; W70-V255 HydrophobicContact CD2-CG2 3.92Å; W70-V255 HydrophobicContact CE3-CG2 4.01Å; W70-V255 HydrophobicContact CG-CG2 4.47Å; W70-V255 HydrophobicContact CH2-CG2 4.36Å; W70-V255 HydrophobicContact CZ2-CG2 4.28Å; W70-V255 HydrophobicContact CZ3-CG2 4.23Å; W70-F263 HydrophobicContact CZ2-CE2 4.28Å; W70-F263 HydrophobicContact CZ2-CZ 4.33Å
71	D	76.8	Confident	71.7	Confident	41 Å²	41	41.8 Å²	41.8	22%	0.219	25%	0.249	C	C	.	.			trans	-105.6	129.8	167.3	-136.8	-35.3	0	0	0	109.3	K68 V105	K68-D71 WeakPolarHBondContact CE-OD2 3.22Å; K68-D71 IonicContact NZ-OD1 3.59Å; K68-D71 PolarHBondContact NZ-OD1 3.39Å; K68-D71 IonicContact NZ-OD2 2.76Å; K68-D71 PolarHBondContact NZ-OD2 3.25Å; D71-V105 HydrophobicContact CB-CG1 4.42Å
72	S	65.7	Low	71.5	Confident	13 Å²	13	43.2 Å²	43.2	9%	0.091	25%	0.253	C	S	.	.	S	Bend	trans	-96.7	-0.6	178.5	53.6	0	0	0	0	112.6	D74 E75	S72-D74 VanDerWaalsContact C-N 3.28Å; S72-E75 PolarHBondContact O-N 3.49Å
73	L	57.4	Low	71.3	Confident	137 Å²	137	49.1 Å²	49.1	72%	0.717	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-23.4	177.8	-68.1	171.4	0	0	0	112.8	E75	L73-E75 VanDerWaalsContact C-N 3.28Å; L73-E75 PolarHBondContact O-N 3.26Å
74	D	51.3	Low	71	Confident	144 Å²	144	49 Å²	49	77%	0.77	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	1	178.7	-61.3	-42.2	0	0	0	113.2	S72	S72-D74 VanDerWaalsContact C-N 3.28Å
75	E	56.9	Low	70.9	Confident	20 Å²	20	49.5 Å²	49.5	9%	0.093	28%	0.277	C	S	.	.	S	Bend	trans	-136	156.6	-172.2	-60.7	173	112.1	0	0	111.8	W70 S72 L73 G77 R258 F263 Y267	W70-E75 PolarHBondContact NE1-OE2 2.84Å; S72-E75 PolarHBondContact O-N 3.49Å; L73-E75 VanDerWaalsContact C-N 3.28Å; L73-E75 PolarHBondContact O-N 3.26Å; E75-G77 PolarHBondContact O-N 2.88Å; E75-R258 IonicContact OE1-CZ 2.64Å; E75-R258 IonicContact OE1-NH1 2.67Å; E75-R258 PolarHBondContact OE1-NH1 3.4Å; E75-R258 IonicContact OE1-NH2 2.79Å; E75-R258 IonicContact OE2-CZ 2.86Å; E75-R258 IonicContact OE2-NH1 2.7Å; E75-R258 PolarHBondContact OE2-NH1 3.29Å; E75-R258 IonicContact OE2-NH2 3.03Å; E75-R258 PolarHBondContact OE2-NH2 3.49Å; E75-F263 WeakPolarHBondContact OE1-CE2 3.43Å; E75-Y267 PolarHBondContact OE1-OH 3.33Å
76	S	50.8	Low	70.7	Confident	131 Å²	131	53.4 Å²	53.4	92%	0.916	30%	0.298	S	S	*	.	S	Bend	trans	-74.4	27.7	-179.9	59.7	0	0	0	0	114.8
77	G	52.8	Low	70.4	Confident	36 Å²	36	54.1 Å²	54.1	37%	0.371	30%	0.302	S	S	.	.	S	Bend	trans	-100.4	150.5	-171.2	0	0	0	0	0	114.8	E75 C79	E75-G77 PolarHBondContact O-N 2.88Å; G77-C79 PolarHBondContact O-N 2.98Å
78	V	53.2	Low	70.2	Confident	124 Å²	124	54.4 Å²	54.4	75%	0.752	30%	0.304	S	S	*	.			trans	-73.5	118.1	174.2	-172.1	0	0	0	0	110	S80	V78-S80 PolarHBondContact O-N 3.39Å
79	C	55.3	Low	70.1	Confident	30 Å²	30	57.6 Å²	57.6	20%	0.203	32%	0.316	C	S	.	.			trans	-52.9	115.3	179.3	-172.6	0	0	0	0	112	G77 E82 R83	G77-C79 PolarHBondContact O-N 2.98Å; C79-E82 PolarHBondContact SG-OE1 2.89Å; C79-R83 PolarHBondContact O-NE 3.06Å; C79-R83 PolarHBondContact O-NH2 2.84Å
80	S	67.1	Low	70.1	Confident	31 Å²	31	63.6 Å²	63.6	22%	0.217	34%	0.338	C	S	.	.			trans	-100.2	-29.3	174.5	52.7	0	0	0	0	111.9	V78 E82 R83 D84	V78-S80 PolarHBondContact O-N 3.39Å; S80-E82 PolarHBondContact O-N 3.27Å; S80-R83 PolarHBondContact O-N 3.45Å; S80-D84 PolarHBondContact O-N 3.31Å; S80-D84 VanDerWaalsContact O-N 3.1Å
81	T	69	Low	70.1	Confident	15 Å²	15	63.2 Å²	63.2	9%	0.092	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-39.4	-171	-49.4	0	0	0	0	113.2	F66 K68 D84 C85	F66-T81 HydrophobicContact CE1-CG2 4.28Å; F66-T81 HydrophobicContact CZ-CG2 4.23Å; K68-T81 HydrophobicContact CG-CG2 4.13Å; T81-D84 PolarHBondContact O-N 2.87Å; T81-C85 WeakPolarHBondContact O-CB 3.31Å; T81-C85 PolarHBondContact O-N 2.9Å
82	E	74.8	Confident	70.4	Confident	114 Å²	114	61.3 Å²	61.3	53%	0.533	33%	0.327	S	S	.	.	H	α-helix	trans	-60.3	-48.9	174.5	-75.7	156.8	-148	0	0	111.5	C79 S80 D84 C85 D86	C79-E82 PolarHBondContact SG-OE1 2.89Å; S80-E82 PolarHBondContact O-N 3.27Å; E82-D84 VanDerWaalsContact C-N 3.29Å; E82-D84 PolarHBondContact O-N 3.04Å; E82-C85 CarbonylContact O-C 3.5Å; E82-C85 WeakPolarHBondContact O-CA 3.44Å; E82-C85 VanDerWaalsContact O-CB 3.26Å; E82-C85 WeakPolarHBondContact O-CB 3.34Å; E82-C85 PolarHBondContact O-N 3.44Å; E82-D86 PolarHBondContact O-N 2.64Å
83	R	78.3	Confident	71.4	Confident	127 Å²	127	66.2 Å²	66.2	48%	0.479	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-31.9	179.1	-72.5	179.3	-76.5	179.7	-6	113.3	C79 S80 D87	C79-R83 PolarHBondContact O-NE 3.06Å; C79-R83 PolarHBondContact O-NH2 2.84Å; S80-R83 PolarHBondContact O-N 3.45Å; R83-D87 PolarHBondContact O-N 2.7Å
84	D	78	Confident	72.6	Confident	10 Å²	10	64 Å²	64	5%	0.053	34%	0.341	C	S	.	.	H	α-helix	trans	-75.8	-26.5	173.2	-73.9	-23	0	0	0	111.8	F66 S80 T81 E82 A88 K246	F66-D84 HydrophobicContact CE2-CB 4.38Å; F66-D84 WeakPolarHBondContact CE2-O 3.47Å; S80-D84 PolarHBondContact O-N 3.31Å; S80-D84 VanDerWaalsContact O-N 3.1Å; T81-D84 PolarHBondContact O-N 2.87Å; E82-D84 VanDerWaalsContact C-N 3.29Å; E82-D84 PolarHBondContact O-N 3.04Å; D84-A88 WeakPolarHBondContact O-CB 3.39Å; D84-A88 PolarHBondContact O-N 3.39Å; D84-K246 IonicContact OD1-NZ 3.85Å; D84-K246 PolarHBondContact OD1-NZ 3.39Å
85	C	82.4	Confident	74	Confident	12 Å²	12	58.2 Å²	58.2	8%	0.081	31%	0.31	C	S	.	.	H	α-helix	trans	-71.5	-46.8	171.4	-166.5	0	0	0	0	112	F66 T81 E82 D87 A88 Y89	F66-C85 HydrophobicContact CD1-CB 4.02Å; F66-C85 HydrophobicContact CD2-CB 4.45Å; F66-C85 HydrophobicContact CE1-CB 3.59Å; F66-C85 HydrophobicContact CE2-CB 4.05Å; F66-C85 HydrophobicContact CG-CB 4.42Å; F66-C85 HydrophobicContact CZ-CB 3.57Å; T81-C85 WeakPolarHBondContact O-CB 3.31Å; T81-C85 PolarHBondContact O-N 2.9Å; E82-C85 CarbonylContact O-C 3.5Å; E82-C85 WeakPolarHBondContact O-CA 3.44Å; E82-C85 VanDerWaalsContact O-CB 3.26Å; E82-C85 WeakPolarHBondContact O-CB 3.34Å; E82-C85 PolarHBondContact O-N 3.44Å; C85-D87 VanDerWaalsContact C-N 3.31Å; C85-D87 PolarHBondContact O-N 3.21Å; C85-A88 PolarHBondContact O-N 3.31Å; C85-A88 VanDerWaalsContact O-N 3.16Å; C85-Y89 PolarHBondContact O-N 3.06Å
86	D	84.2	Confident	75.3	Confident	81 Å²	81	63.3 Å²	63.3	43%	0.433	34%	0.338	S	S	.	.	H	α-helix	trans	-57.3	-43.7	176.8	-73.2	-14.4	0	0	0	111.9	E82 Y89 R90	E82-D86 PolarHBondContact O-N 2.64Å; D86-Y89 PolarHBondContact O-N 3.36Å; D86-R90 VanDerWaalsContact O-CG 3.31Å; D86-R90 WeakPolarHBondContact O-CG 3.39Å; D86-R90 PolarHBondContact O-N 2.83Å
87	D	81.6	Confident	76.9	Confident	18 Å²	18	57.8 Å²	57.8	10%	0.096	30%	0.298	C	S	.	.	H	α-helix	trans	-70.4	-35.2	178.3	-74.2	-22	0	0	0	111.8	R83 C85 Y89 R90 V91 K246	R83-D87 PolarHBondContact O-N 2.7Å; C85-D87 VanDerWaalsContact C-N 3.31Å; C85-D87 PolarHBondContact O-N 3.21Å; D87-Y89 VanDerWaalsContact C-N 3.35Å; D87-R90 PolarHBondContact O-N 3.25Å; D87-R90 IonicContact OD1-CZ 3.37Å; D87-R90 IonicContact OD1-NH1 3.57Å; D87-R90 PolarHBondContact OD1-NH1 3.16Å; D87-V91 WeakPolarHBondContact O-CG2 3.37Å; D87-V91 PolarHBondContact O-N 2.87Å; D87-K246 WeakPolarHBondContact OD2-CE 3.43Å; D87-K246 IonicContact OD2-NZ 3.66Å; D87-K246 PolarHBondContact OD2-NZ 3.47Å
88	A	82.4	Confident	78.5	Confident	6 Å²	6	59.2 Å²	59.2	5%	0.05	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-39.5	172	0	0	0	0	0	112	L34 F66 D84 C85 V91 C92 F99	L34-A88 HydrophobicContact CB-CB 4.4Å; F66-A88 HydrophobicContact CD2-CB 3.79Å; F66-A88 HydrophobicContact CE2-CB 4.41Å; D84-A88 WeakPolarHBondContact O-CB 3.39Å; D84-A88 PolarHBondContact O-N 3.39Å; C85-A88 PolarHBondContact O-N 3.31Å; C85-A88 VanDerWaalsContact O-N 3.16Å; A88-V91 PolarHBondContact O-N 2.67Å; A88-C92 PolarHBondContact O-N 3.03Å; A88-F99 HydrophobicContact CB-CE2 3.99Å
89	Y	85.3	Confident	80.1	Confident	110 Å²	110	55.6 Å²	55.6	43%	0.431	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-46.2	174.6	178	-107	0	0	0	112.1	C85 D86 D87 V91 C92 Q93 F99	C85-Y89 PolarHBondContact O-N 3.06Å; D86-Y89 PolarHBondContact O-N 3.36Å; D87-Y89 VanDerWaalsContact C-N 3.35Å; Y89-V91 VanDerWaalsContact C-N 3.27Å; Y89-V91 PolarHBondContact O-N 3.21Å; Y89-C92 WeakPolarHBondContact O-CB 3.46Å; Y89-C92 PolarHBondContact O-N 2.89Å; Y89-C92 VanDerWaalsContact O-N 3.12Å; Y89-Q93 HydrophobicContact CD1-CG 4.36Å; Y89-Q93 HydrophobicContact CE1-CG 3.98Å; Y89-Q93 VanDerWaalsContact CE1-NE2 3.28Å; Y89-Q93 HydrophobicContact CE2-CG 4.34Å; Y89-Q93 WeakPolarHBondContact O-CG 3.4Å; Y89-Q93 PolarHBondContact O-N 3.17Å; Y89-Q93 PolarHBondContact OH-NE2 3.25Å; Y89-Q93 VanDerWaalsContact OH-NE2 3.12Å; Y89-F99 HydrophobicContact CD2-CB 4.12Å; Y89-F99 AromaticContact CD2-CD1 3.7Å; Y89-F99 HydrophobicContact CD2-CD1 3.7Å; Y89-F99 HydrophobicContact CD2-CE1 4.21Å; Y89-F99 AromaticContact CD2-CG 3.89Å; Y89-F99 HydrophobicContact CD2-CG 3.89Å; Y89-F99 HydrophobicContact CE2-CD1 4.49Å
90	R	84.9	Confident	81.7	Confident	126 Å²	126	57.4 Å²	57.4	48%	0.475	28%	0.28	S	S	.	.	H	α-helix	trans	-58.2	-38.5	174.4	-73.3	169.2	-178.4	146.4	5.2	112.5	D86 D87 Q93 T94	D86-R90 VanDerWaalsContact O-CG 3.31Å; D86-R90 WeakPolarHBondContact O-CG 3.39Å; D86-R90 PolarHBondContact O-N 2.83Å; D87-R90 PolarHBondContact O-N 3.25Å; D87-R90 IonicContact OD1-CZ 3.37Å; D87-R90 IonicContact OD1-NH1 3.57Å; D87-R90 PolarHBondContact OD1-NH1 3.16Å; R90-Q93 PolarHBondContact O-N 2.91Å; R90-T94 WeakPolarHBondContact O-CB 3.45Å; R90-T94 PolarHBondContact O-N 3.33Å; R90-T94 PolarHBondContact O-OG1 2.88Å
91	V	83.1	Confident	82.8	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-46.1	175	167.8	0	0	0	0	110.7	V46 D87 A88 Y89 Q93 T94 L95 F240	V46-V91 HydrophobicContact CB-CG1 4.36Å; V46-V91 HydrophobicContact CG2-CB 4.24Å; V46-V91 HydrophobicContact CG2-CG1 3.69Å; V46-V91 HydrophobicContact CG2-CG2 3.54Å; D87-V91 WeakPolarHBondContact O-CG2 3.37Å; D87-V91 PolarHBondContact O-N 2.87Å; A88-V91 PolarHBondContact O-N 2.67Å; Y89-V91 VanDerWaalsContact C-N 3.27Å; Y89-V91 PolarHBondContact O-N 3.21Å; V91-Q93 PolarHBondContact O-N 2.89Å; V91-T94 PolarHBondContact O-N 3.02Å; V91-L95 HydrophobicContact CG1-CD1 3.94Å; V91-L95 WeakPolarHBondContact O-CG 3.28Å; V91-L95 PolarHBondContact O-N 2.79Å; V91-F240 HydrophobicContact CB-CE1 4.27Å; V91-F240 HydrophobicContact CG1-CE1 4.3Å; V91-F240 HydrophobicContact CG2-CD1 3.92Å; V91-F240 HydrophobicContact CG2-CE1 3.87Å
92	C	83.8	Confident	83.8	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-56.7	-48	173.5	-90.8	0	0	0	0	112.8	L34 A88 Y89 T94 L95 D96 I97 F99	L34-C92 WeakPolarHBondContact CD1-SG 3.48Å; A88-C92 PolarHBondContact O-N 3.03Å; Y89-C92 WeakPolarHBondContact O-CB 3.46Å; Y89-C92 PolarHBondContact O-N 2.89Å; Y89-C92 VanDerWaalsContact O-N 3.12Å; C92-T94 VanDerWaalsContact C-N 3.32Å; C92-T94 PolarHBondContact O-N 3.33Å; C92-L95 PolarHBondContact O-N 3.31Å; C92-D96 PolarHBondContact O-N 3.4Å; C92-D96 VanDerWaalsContact O-N 3.09Å; C92-I97 HydrophobicContact CB-CG1 4Å; C92-I97 WeakPolarHBondContact CB-O 3.34Å; C92-I97 PolarHBondContact O-N 3.4Å; C92-I97 VanDerWaalsContact O-N 3.13Å; C92-F99 HydrophobicContact CB-CB 3.87Å; C92-F99 HydrophobicContact CB-CD2 4.19Å; C92-F99 HydrophobicContact CB-CG 4.45Å
93	Q	86.8	Confident	84.5	Confident	117 Å²	117	59.5 Å²	59.5	55%	0.547	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-40.7	177.3	-69.8	-174.3	-49.6	0	0	112.4	Y89 R90 V91 L95 D96	Y89-Q93 HydrophobicContact CD1-CG 4.36Å; Y89-Q93 HydrophobicContact CE1-CG 3.98Å; Y89-Q93 VanDerWaalsContact CE1-NE2 3.28Å; Y89-Q93 HydrophobicContact CE2-CG 4.34Å; Y89-Q93 WeakPolarHBondContact O-CG 3.4Å; Y89-Q93 PolarHBondContact O-N 3.17Å; Y89-Q93 PolarHBondContact OH-NE2 3.25Å; Y89-Q93 VanDerWaalsContact OH-NE2 3.12Å; R90-Q93 PolarHBondContact O-N 2.91Å; V91-Q93 PolarHBondContact O-N 2.89Å; Q93-L95 VanDerWaalsContact C-N 3.33Å; Q93-L95 PolarHBondContact O-N 3Å; Q93-D96 PolarHBondContact O-N 2.97Å
94	T	83.6	Confident	85.2	Confident	91 Å²	91	54.1 Å²	54.1	56%	0.558	27%	0.274	S	S	*	.	H	α-helix	trans	-69.3	-31.7	-179.6	-52.7	0	0	0	0	112.3	R90 V91 C92 F240	R90-T94 WeakPolarHBondContact O-CB 3.45Å; R90-T94 PolarHBondContact O-N 3.33Å; R90-T94 PolarHBondContact O-OG1 2.88Å; V91-T94 PolarHBondContact O-N 3.02Å; C92-T94 VanDerWaalsContact C-N 3.32Å; C92-T94 PolarHBondContact O-N 3.33Å; T94-F240 HydrophobicContact CG2-CE1 3.8Å; T94-F240 HydrophobicContact CG2-CZ 3.66Å
95	L	80.6	Confident	85.8	Confident	21 Å²	21	55.2 Å²	55.2	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-92.8	-0.8	-179	-66.1	178.9	0	0	0	114	L50 V91 C92 Q93 I97 F240	L50-L95 HydrophobicContact CD1-CD2 3.9Å; V91-L95 HydrophobicContact CG1-CD1 3.94Å; V91-L95 WeakPolarHBondContact O-CG 3.28Å; V91-L95 PolarHBondContact O-N 2.79Å; C92-L95 PolarHBondContact O-N 3.31Å; Q93-L95 VanDerWaalsContact C-N 3.33Å; Q93-L95 PolarHBondContact O-N 3Å; L95-I97 HydrophobicContact CB-CD1 4.31Å; L95-I97 HydrophobicContact CB-CG1 4.06Å; L95-I97 HydrophobicContact CB-CG2 4.46Å; L95-I97 HydrophobicContact CD1-CD1 4.37Å; L95-F240 HydrophobicContact CD1-CZ 4.44Å; L95-F240 HydrophobicContact CD2-CE2 4.02Å; L95-F240 HydrophobicContact CD2-CZ 3.87Å; L95-F240 HydrophobicContact CG-CE2 4.46Å; L95-F240 HydrophobicContact CG-CZ 3.91Å
96	D	84.2	Confident	86.3	Confident	128 Å²	128	63 Å²	63	68%	0.684	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	58.1	-173.1	-170.9	42.9	0	0	0	111.9	C92 Q93	C92-D96 PolarHBondContact O-N 3.4Å; C92-D96 VanDerWaalsContact O-N 3.09Å; Q93-D96 PolarHBondContact O-N 2.97Å
97	I	83.4	Confident	86.8	Confident	14 Å²	14	62 Å²	62	7%	0.072	31%	0.307	C	S	.	.			trans	-128.9	141.4	176.6	57.2	169.6	0	0	0	111.1	V62 C92 L95	V62-I97 HydrophobicContact CB-CG2 3.96Å; V62-I97 HydrophobicContact CG1-CD1 4.07Å; V62-I97 HydrophobicContact CG1-CG2 4.1Å; V62-I97 WeakPolarHBondContact O-CB 3.49Å; V62-I97 WeakPolarHBondContact O-CG2 3.37Å; C92-I97 HydrophobicContact CB-CG1 4Å; C92-I97 WeakPolarHBondContact CB-O 3.34Å; C92-I97 PolarHBondContact O-N 3.4Å; C92-I97 VanDerWaalsContact O-N 3.13Å; L95-I97 HydrophobicContact CB-CD1 4.31Å; L95-I97 HydrophobicContact CB-CG1 4.06Å; L95-I97 HydrophobicContact CB-CG2 4.46Å; L95-I97 HydrophobicContact CD1-CD1 4.37Å
98	P	87.3	Confident	87.4	Confident	66 Å²	66	61.2 Å²	61.2	43%	0.429	30%	0.302	S	S	.	.			trans	-55.7	146.7	174.1	-26.3	35.4	0	0	0	112.6	V62 T63 G64	V62-P98 WeakPolarHBondContact O-CD 3.45Å; T63-P98 HydrophobicContact CG2-CB 4.31Å; G64-P98 PolarHBondContact N-O 2.82Å
99	F	86.3	Confident	87.9	Confident	48 Å²	48	66 Å²	66	21%	0.211	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.2	178	179.5	-97.1	0	0	0	110.7	L34 G64 F66 A88 Y89 C92 Q101	L34-F99 HydrophobicContact CD1-CD2 4.23Å; L34-F99 HydrophobicContact CD1-CE2 4.49Å; G64-F99 CarbonylContact O-C 3.42Å; G64-F99 WeakPolarHBondContact O-CA 3.29Å; F66-F99 HydrophobicContact CB-CE2 3.73Å; F66-F99 HydrophobicContact CB-CZ 3.62Å; F66-F99 HydrophobicContact CG-CZ 4.39Å; A88-F99 HydrophobicContact CB-CE2 3.99Å; Y89-F99 HydrophobicContact CD2-CB 4.12Å; Y89-F99 AromaticContact CD2-CD1 3.7Å; Y89-F99 HydrophobicContact CD2-CD1 3.7Å; Y89-F99 HydrophobicContact CD2-CE1 4.21Å; Y89-F99 AromaticContact CD2-CG 3.89Å; Y89-F99 HydrophobicContact CD2-CG 3.89Å; Y89-F99 HydrophobicContact CE2-CD1 4.49Å; C92-F99 HydrophobicContact CB-CB 3.87Å; C92-F99 HydrophobicContact CB-CD2 4.19Å; C92-F99 HydrophobicContact CB-CG 4.45Å; F99-Q101 HydrophobicContact CE1-CB 4.25Å
100	H	88.5	Confident	88.3	Confident	69 Å²	69	67.1 Å²	67.1	32%	0.319	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.9	169.8	-64	-108.2	0	0	0	110.6	T63 G64 V65 F66	T63-H100 VanDerWaalsContact CG2-CD2 3.45Å; T63-H100 WeakPolarHBondContact CG2-CD2 3.33Å; G64-H100 PolarHBondContact O-N 2.95Å; V65-H100 CarbonylContact C-O 3.56Å; V65-H100 WeakPolarHBondContact CA-O 3.43Å; V65-H100 HydrophobicContact CG1-CB 4.47Å; V65-H100 HydrophobicContact CG2-CB 4.27Å; F66-H100 PolarHBondContact N-O 3.35Å
101	Q	89.4	Confident	88.8	Confident	114 Å²	114	63.2 Å²	63.2	53%	0.533	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.2	169.2	-177.1	174.8	7.6	0	0	109.2	F66 F99	F66-Q101 HydrophobicContact CD1-CG 4.3Å; F66-Q101 WeakPolarHBondContact O-CA 3.4Å; F99-Q101 HydrophobicContact CE1-CB 4.25Å
102	V	90.1	Very high	89.3	Confident	21 Å²	21	63.2 Å²	63.2	13%	0.127	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.6	174.3	66.4	0	0	0	0	109.8	V65 F66 M67 K68 Y104 Y144	V65-V102 HydrophobicContact CG1-CG1 3.89Å; F66-V102 PolarHBondContact O-N 3.33Å; M67-V102 CarbonylContact C-O 3.55Å; M67-V102 WeakPolarHBondContact CA-O 3.26Å; M67-V102 HydrophobicContact CB-CG1 4.49Å; M67-V102 HydrophobicContact CG-CG1 4.02Å; K68-V102 PolarHBondContact N-O 2.98Å; V102-Y104 HydrophobicContact CB-CE2 4.41Å; V102-Y104 HydrophobicContact CG1-CD2 4.18Å; V102-Y104 HydrophobicContact CG1-CE2 3.45Å; V102-Y104 VanDerWaalsContact CG1-CE2 3.45Å; V102-Y104 HydrophobicContact CG2-CD1 4.43Å; V102-Y104 HydrophobicContact CG2-CE1 3.77Å; V102-Y104 HydrophobicContact CG2-CE2 4.07Å; V102-Y144 HydrophobicContact CB-CE1 4.42Å
103	S	90.9	Very high	89.8	Confident	69 Å²	69	63.1 Å²	63.1	48%	0.483	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.1	176.5	-175.5	0	0	0	0	109.7	K68	K68-S103 CarbonylContact O-C 3.36Å; K68-S103 VanDerWaalsContact O-CA 3.3Å; K68-S103 WeakPolarHBondContact O-CA 3.44Å; K68-S103 PolarHBondContact O-OG 3.11Å
104	Y	92.4	Very high	90.2	Very high	13 Å²	13	58.7 Å²	58.7	5%	0.051	30%	0.298	C	S	.	.			trans	-123.4	31.8	169.1	-53	-64	0	0	0	111.6	M67 K68 N69 V102 K106 E107 Y108 I136 H140 F141 Y144	M67-Y104 HydrophobicContact CB-CD2 4.3Å; M67-Y104 HydrophobicContact CG-CD2 4.01Å; M67-Y104 HydrophobicContact CG-CE2 3.87Å; M67-Y104 HydrophobicContact SD-CD2 3.73Å; M67-Y104 HydrophobicContact SD-CE2 3.72Å; K68-Y104 PolarHBondContact O-N 3.08Å; N69-Y104 VanDerWaalsContact OD1-CB 3.31Å; N69-Y104 WeakPolarHBondContact OD1-CB 3.46Å; N69-Y104 PolarHBondContact OD1-N 3.11Å; V102-Y104 HydrophobicContact CB-CE2 4.41Å; V102-Y104 HydrophobicContact CG1-CD2 4.18Å; V102-Y104 HydrophobicContact CG1-CE2 3.45Å; V102-Y104 VanDerWaalsContact CG1-CE2 3.45Å; V102-Y104 HydrophobicContact CG2-CD1 4.43Å; V102-Y104 HydrophobicContact CG2-CE1 3.77Å; V102-Y104 HydrophobicContact CG2-CE2 4.07Å; Y104-K106 VanDerWaalsContact C-N 3.29Å; Y104-K106 PolarHBondContact O-N 2.88Å; Y104-E107 WeakPolarHBondContact CA-OE2 3.41Å; Y104-E107 PolarHBondContact O-N 3.48Å; Y104-Y108 VanDerWaalsContact O-CB 3.24Å; Y104-Y108 WeakPolarHBondContact O-CB 3.45Å; Y104-Y108 PolarHBondContact O-N 3.22Å; Y104-I136 HydrophobicContact CD2-CG2 3.81Å; Y104-I136 HydrophobicContact CG-CG2 4.13Å; Y104-H140 HydrophobicContact CD1-CB 4.09Å; Y104-H140 HydrophobicContact CE1-CB 3.96Å; Y104-H140 PolarHBondContact OH-O 3.46Å; Y104-F141 HydrophobicContact CE2-CB 4.01Å; Y104-F141 WeakPolarHBondContact OH-CA 3.42Å; Y104-Y144 WeakPolarHBondContact OH-CB 3.46Å
105	V	91.1	Very high	90.7	Very high	34 Å²	34	56.7 Å²	56.7	21%	0.206	28%	0.284	C	S	.	.	H	α-helix	trans	-57.8	-41.8	179.6	177.3	0	0	0	0	111.2	K68 D71 W109	K68-V105 HydrophobicContact CD-CG2 4.49Å; K68-V105 HydrophobicContact CG-CG2 4.21Å; K68-V105 WeakPolarHBondContact O-CG2 3.44Å; K68-V105 PolarHBondContact O-N 3.35Å; D71-V105 HydrophobicContact CB-CG1 4.42Å; V105-W109 VanDerWaalsContact O-CB 3.26Å; V105-W109 WeakPolarHBondContact O-CB 3.46Å; V105-W109 PolarHBondContact O-N 3Å
106	K	93.4	Very high	91.4	Very high	176 Å²	176	55.8 Å²	55.8	77%	0.765	28%	0.279	S	S	*	.	H	α-helix	trans	-69.3	-44.6	-178.1	-66.1	-178.7	178.6	179.6	0	111.6	Y104 W109 H110	Y104-K106 VanDerWaalsContact C-N 3.29Å; Y104-K106 PolarHBondContact O-N 2.88Å; K106-W109 PolarHBondContact O-N 3.39Å; K106-H110 WeakPolarHBondContact O-CB 3.3Å; K106-H110 PolarHBondContact O-N 3.43Å
107	E	94.4	Very high	91.9	Very high	60 Å²	60	50.8 Å²	50.8	28%	0.28	25%	0.252	S	S	.	.	H	α-helix	trans	-66	-45.6	179	-63.3	78.1	175.4	0	0	110.5	Y104 W109 H110 D111 I136	Y104-E107 WeakPolarHBondContact CA-OE2 3.41Å; Y104-E107 PolarHBondContact O-N 3.48Å; E107-W109 PolarHBondContact O-N 2.58Å; E107-H110 PolarHBondContact O-N 3.44Å; E107-D111 WeakPolarHBondContact O-CB 3.5Å; E107-D111 PolarHBondContact O-N 2.88Å; E107-I136 HydrophobicContact CB-CD1 3.79Å
108	Y	93.4	Very high	92.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-61.8	-43.6	174.5	-177	-86.6	0	0	0	111.4	N69 W70 Y104 H110 V112 F113 C132 I136 I252 C253 F254	N69-Y108 HydrophobicContact CB-CD2 4.33Å; N69-Y108 HydrophobicContact CB-CG 4.3Å; N69-Y108 VanDerWaalsContact O-CB 3.32Å; N69-Y108 WeakPolarHBondContact O-CB 3.43Å; N69-Y108 WeakPolarHBondContact O-CD1 3.45Å; W70-Y108 AromaticContact CE3-CD1 3.68Å; W70-Y108 HydrophobicContact CE3-CD1 3.68Å; W70-Y108 AromaticContact CE3-CE1 3.5Å; W70-Y108 HydrophobicContact CE3-CE1 3.5Å; W70-Y108 VanDerWaalsContact CE3-CE1 3.5Å; W70-Y108 AromaticContact CZ3-CD1 3.94Å; W70-Y108 HydrophobicContact CZ3-CD1 3.94Å; W70-Y108 AromaticContact CZ3-CE1 3.65Å; W70-Y108 HydrophobicContact CZ3-CE1 3.65Å; Y104-Y108 VanDerWaalsContact O-CB 3.24Å; Y104-Y108 WeakPolarHBondContact O-CB 3.45Å; Y104-Y108 PolarHBondContact O-N 3.22Å; Y108-H110 VanDerWaalsContact C-N 3.35Å; Y108-H110 PolarHBondContact O-N 2.89Å; Y108-V112 HydrophobicContact CD2-CB 3.99Å; Y108-V112 HydrophobicContact CD2-CG1 4.32Å; Y108-V112 HydrophobicContact CD2-CG2 3.91Å; Y108-V112 HydrophobicContact CE2-CB 3.9Å; Y108-V112 HydrophobicContact CE2-CG1 3.72Å; Y108-V112 HydrophobicContact CE2-CG2 4.11Å; Y108-V112 HydrophobicContact CG-CB 4.33Å; Y108-V112 HydrophobicContact CG-CG2 4.5Å; Y108-V112 WeakPolarHBondContact O-CA 3.05Å; Y108-V112 VanDerWaalsContact O-CB 3.29Å; Y108-V112 WeakPolarHBondContact O-CB 3.45Å; Y108-V112 PolarHBondContact O-N 3.04Å; Y108-F113 HydrophobicContact CD1-CB 4.45Å; Y108-F113 HydrophobicContact CE1-CB 4.21Å; Y108-F113 PolarHBondContact O-N 3.49Å; Y108-C132 HydrophobicContact CE2-CB 4.31Å; Y108-I136 HydrophobicContact CD2-CG1 4.17Å; Y108-I252 WeakPolarHBondContact OH-CG2 3.45Å; Y108-C253 PolarHBondContact OH-O 3.27Å; Y108-F254 AromaticContact CD2-CD2 3.95Å; Y108-F254 HydrophobicContact CD2-CD2 3.95Å; Y108-F254 HydrophobicContact CD2-CE2 4.48Å; Y108-F254 AromaticContact CE2-CD2 3.76Å; Y108-F254 HydrophobicContact CE2-CD2 3.76Å; Y108-F254 HydrophobicContact CE2-CE2 4.49Å
109	W	93.5	Very high	92.9	Very high	108 Å²	108	52.5 Å²	52.5	41%	0.409	25%	0.252	S	S	.	.	I	π-helix	trans	-59.9	-44	176	-174.6	-87.3	0	0	0	112.2	W70 V105 K106 E107 F113 S114 Y267	W70-W109 HydrophobicContact CH2-CE3 4Å; W70-W109 AromaticContact CH2-CZ3 3.73Å; W70-W109 HydrophobicContact CH2-CZ3 3.73Å; W70-W109 HydrophobicContact CZ2-CZ3 4.47Å; W70-W109 AromaticContact CZ3-CE3 3.96Å; W70-W109 HydrophobicContact CZ3-CE3 3.96Å; W70-W109 HydrophobicContact CZ3-CZ3 4.18Å; V105-W109 VanDerWaalsContact O-CB 3.26Å; V105-W109 WeakPolarHBondContact O-CB 3.46Å; V105-W109 PolarHBondContact O-N 3Å; K106-W109 PolarHBondContact O-N 3.39Å; E107-W109 PolarHBondContact O-N 2.58Å; W109-F113 HydrophobicContact CD2-CD1 4.12Å; W109-F113 AromaticContact CE3-CD1 3.67Å; W109-F113 HydrophobicContact CE3-CD1 3.67Å; W109-F113 HydrophobicContact CE3-CE1 4.32Å; W109-F113 HydrophobicContact CE3-CG 4.4Å; W109-F113 AromaticContact CH2-CD1 3.77Å; W109-F113 HydrophobicContact CH2-CD1 3.77Å; W109-F113 AromaticContact CH2-CE1 3.75Å; W109-F113 HydrophobicContact CH2-CE1 3.75Å; W109-F113 HydrophobicContact CZ2-CD1 4.19Å; W109-F113 HydrophobicContact CZ2-CE1 4.45Å; W109-F113 AromaticContact CZ3-CD1 3.49Å; W109-F113 HydrophobicContact CZ3-CD1 3.49Å; W109-F113 VanDerWaalsContact CZ3-CD1 3.49Å; W109-F113 AromaticContact CZ3-CE1 3.67Å; W109-F113 HydrophobicContact CZ3-CE1 3.67Å; W109-S114 VanDerWaalsContact O-CB 3.28Å; W109-S114 WeakPolarHBondContact O-CB 3.39Å; W109-S114 PolarHBondContact O-N 3.01Å; W109-S114 PolarHBondContact O-OG 2.81Å; W109-Y267 HydrophobicContact CH2-CD1 4.02Å; W109-Y267 AromaticContact CH2-CE1 3.6Å; W109-Y267 HydrophobicContact CH2-CE1 3.6Å; W109-Y267 HydrophobicContact CZ3-CE1 4.1Å
110	H	94.3	Very high	93.3	Very high	133 Å²	133	51 Å²	51	62%	0.616	25%	0.245	S	C	*	.	I	π-helix	trans	-74.8	-54.4	-177.5	-167.2	75.3	0	0	0	113.1	K106 E107 Y108	K106-H110 WeakPolarHBondContact O-CB 3.3Å; K106-H110 PolarHBondContact O-N 3.43Å; E107-H110 PolarHBondContact O-N 3.44Å; Y108-H110 VanDerWaalsContact C-N 3.35Å; Y108-H110 PolarHBondContact O-N 2.89Å
111	D	93.9	Very high	93.6	Very high	44 Å²	44	51.9 Å²	51.9	24%	0.235	25%	0.25	C	C	.	.	I	π-helix	trans	-83.4	-28.7	-170.6	-79.2	4	0	0	0	113.4	E107 H135	E107-D111 WeakPolarHBondContact O-CB 3.5Å; E107-D111 PolarHBondContact O-N 2.88Å; D111-H135 HydrophobicContact CB-CB 3.8Å; D111-H135 IonicContact OD2-CE1 3.43Å; D111-H135 IonicContact OD2-CG 2.75Å; D111-H135 IonicContact OD2-ND1 3.22Å; D111-H135 PolarHBondContact OD2-ND1 2.86Å
112	V	94.7	Very high	93.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-108.7	-60.8	-175	-172.7	0	0	0	0	110.9	Y108 N115 L116 P128 L131 I136	Y108-V112 HydrophobicContact CD2-CB 3.99Å; Y108-V112 HydrophobicContact CD2-CG1 4.32Å; Y108-V112 HydrophobicContact CD2-CG2 3.91Å; Y108-V112 HydrophobicContact CE2-CB 3.9Å; Y108-V112 HydrophobicContact CE2-CG1 3.72Å; Y108-V112 HydrophobicContact CE2-CG2 4.11Å; Y108-V112 HydrophobicContact CG-CB 4.33Å; Y108-V112 HydrophobicContact CG-CG2 4.5Å; Y108-V112 WeakPolarHBondContact O-CA 3.05Å; Y108-V112 VanDerWaalsContact O-CB 3.29Å; Y108-V112 WeakPolarHBondContact O-CB 3.45Å; Y108-V112 PolarHBondContact O-N 3.04Å; V112-N115 PolarHBondContact O-N 3.02Å; V112-L116 WeakPolarHBondContact O-CB 3.46Å; V112-L116 PolarHBondContact O-N 2.81Å; V112-P128 HydrophobicContact CG1-CB 3.83Å; V112-P128 WeakPolarHBondContact CG1-O 3.46Å; V112-L131 HydrophobicContact CG1-CB 4.22Å; V112-L131 HydrophobicContact CG2-CB 4.26Å; V112-I136 HydrophobicContact CG2-CG1 4.07Å
113	F	94	Very high	94.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-73	-45.8	-168.5	-164.7	-112.6	0	0	0	112.9	W70 Y108 W109 N115 L116 L117 F263 Y267	W70-F113 AromaticContact CH2-CD1 3.77Å; W70-F113 HydrophobicContact CH2-CD1 3.77Å; W70-F113 AromaticContact CH2-CD2 3.79Å; W70-F113 HydrophobicContact CH2-CD2 3.79Å; W70-F113 AromaticContact CH2-CE1 3.74Å; W70-F113 HydrophobicContact CH2-CE1 3.74Å; W70-F113 AromaticContact CH2-CE2 3.78Å; W70-F113 HydrophobicContact CH2-CE2 3.78Å; W70-F113 AromaticContact CH2-CG 3.79Å; W70-F113 HydrophobicContact CH2-CG 3.79Å; W70-F113 AromaticContact CH2-CZ 3.75Å; W70-F113 HydrophobicContact CH2-CZ 3.75Å; W70-F113 HydrophobicContact CZ3-CB 4.11Å; W70-F113 HydrophobicContact CZ3-CD1 4.06Å; W70-F113 AromaticContact CZ3-CD2 3.86Å; W70-F113 HydrophobicContact CZ3-CD2 3.86Å; W70-F113 HydrophobicContact CZ3-CE1 4.47Å; W70-F113 HydrophobicContact CZ3-CE2 4.31Å; W70-F113 AromaticContact CZ3-CG 3.73Å; W70-F113 HydrophobicContact CZ3-CG 3.73Å; Y108-F113 HydrophobicContact CD1-CB 4.45Å; Y108-F113 HydrophobicContact CE1-CB 4.21Å; Y108-F113 PolarHBondContact O-N 3.49Å; W109-F113 HydrophobicContact CD2-CD1 4.12Å; W109-F113 AromaticContact CE3-CD1 3.67Å; W109-F113 HydrophobicContact CE3-CD1 3.67Å; W109-F113 HydrophobicContact CE3-CE1 4.32Å; W109-F113 HydrophobicContact CE3-CG 4.4Å; W109-F113 AromaticContact CH2-CD1 3.77Å; W109-F113 HydrophobicContact CH2-CD1 3.77Å; W109-F113 AromaticContact CH2-CE1 3.75Å; W109-F113 HydrophobicContact CH2-CE1 3.75Å; W109-F113 HydrophobicContact CZ2-CD1 4.19Å; W109-F113 HydrophobicContact CZ2-CE1 4.45Å; W109-F113 AromaticContact CZ3-CD1 3.49Å; W109-F113 HydrophobicContact CZ3-CD1 3.49Å; W109-F113 VanDerWaalsContact CZ3-CD1 3.49Å; W109-F113 AromaticContact CZ3-CE1 3.67Å; W109-F113 HydrophobicContact CZ3-CE1 3.67Å; F113-N115 VanDerWaalsContact C-N 3.25Å; F113-N115 PolarHBondContact O-N 2.85Å; F113-L116 HydrophobicContact CD2-CD2 4Å; F113-L116 HydrophobicContact CE2-CD2 3.79Å; F113-L116 WeakPolarHBondContact O-CA 3.15Å; F113-L116 WeakPolarHBondContact O-CB 3.4Å; F113-L116 PolarHBondContact O-N 2.97Å; F113-L117 HydrophobicContact CD1-CD1 4.1Å; F113-L117 HydrophobicContact CD1-CG 4.33Å; F113-L117 HydrophobicContact CE1-CD1 3.8Å; F113-L117 HydrophobicContact CE1-CD2 4.14Å; F113-L117 HydrophobicContact CE1-CG 4.05Å; F113-L117 HydrophobicContact CZ-CD1 4.5Å; F113-L117 HydrophobicContact CZ-CD2 4Å; F113-L117 HydrophobicContact CZ-CG 4.34Å; F113-L117 PolarHBondContact O-N 2.87Å; F113-F263 AromaticContact CE2-CE1 3.86Å; F113-F263 HydrophobicContact CE2-CE1 3.86Å; F113-F263 AromaticContact CE2-CZ 3.57Å; F113-F263 HydrophobicContact CE2-CZ 3.57Å; F113-F263 HydrophobicContact CZ-CE1 4.17Å; F113-F263 AromaticContact CZ-CZ 3.73Å; F113-F263 HydrophobicContact CZ-CZ 3.73Å; F113-Y267 AromaticContact CE1-CD1 3.99Å; F113-Y267 HydrophobicContact CE1-CD1 3.99Å; F113-Y267 AromaticContact CE1-CD2 4Å; F113-Y267 HydrophobicContact CE1-CD2 4Å; F113-Y267 HydrophobicContact CE1-CE1 4.06Å; F113-Y267 HydrophobicContact CE1-CE2 4.03Å; F113-Y267 AromaticContact CE1-CG 3.95Å; F113-Y267 HydrophobicContact CE1-CG 3.95Å; F113-Y267 HydrophobicContact CZ-CD1 4.44Å; F113-Y267 AromaticContact CZ-CD2 3.61Å; F113-Y267 HydrophobicContact CZ-CD2 3.61Å; F113-Y267 AromaticContact CZ-CE2 3.65Å; F113-Y267 HydrophobicContact CZ-CE2 3.65Å; F113-Y267 HydrophobicContact CZ-CG 4.01Å
114	S	94.7	Very high	94.4	Very high	24 Å²	24	50 Å²	50	17%	0.168	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-32.9	177.1	-62.9	0	0	0	0	112.4	W109 K118	W109-S114 VanDerWaalsContact O-CB 3.28Å; W109-S114 WeakPolarHBondContact O-CB 3.39Å; W109-S114 PolarHBondContact O-N 3.01Å; W109-S114 PolarHBondContact O-OG 2.81Å; S114-K118 WeakPolarHBondContact O-CD 3.35Å; S114-K118 VanDerWaalsContact O-CG 3.23Å; S114-K118 WeakPolarHBondContact O-CG 3.45Å; S114-K118 PolarHBondContact O-N 3.06Å
115	N	94.6	Very high	94.5	Very high	49 Å²	49	50 Å²	50	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-72.1	-39.1	171.5	177.3	78.5	0	0	0	111.8	V112 F113 L117 K118 E119 L131	V112-N115 PolarHBondContact O-N 3.02Å; F113-N115 VanDerWaalsContact C-N 3.25Å; F113-N115 PolarHBondContact O-N 2.85Å; N115-L117 PolarHBondContact O-N 2.9Å; N115-K118 PolarHBondContact O-N 3.21Å; N115-E119 WeakPolarHBondContact O-CG 3.43Å; N115-E119 PolarHBondContact O-N 3.33Å; N115-L131 HydrophobicContact CB-CD1 4.47Å; N115-L131 WeakPolarHBondContact ND2-CD1 3.44Å
116	L	94.6	Very high	94.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-57.4	-48.1	175.1	170.6	139.6	0	0	0	111.6	V112 F113 E119 Y120 P126 P128 I252 I264	V112-L116 WeakPolarHBondContact O-CB 3.46Å; V112-L116 PolarHBondContact O-N 2.81Å; F113-L116 HydrophobicContact CD2-CD2 4Å; F113-L116 HydrophobicContact CE2-CD2 3.79Å; F113-L116 WeakPolarHBondContact O-CA 3.15Å; F113-L116 WeakPolarHBondContact O-CB 3.4Å; F113-L116 PolarHBondContact O-N 2.97Å; L116-E119 PolarHBondContact O-N 3.38Å; L116-Y120 HydrophobicContact CD1-CE2 3.92Å; L116-Y120 HydrophobicContact CD2-CD2 3.81Å; L116-Y120 HydrophobicContact CD2-CE2 3.76Å; L116-Y120 HydrophobicContact CG-CD2 3.78Å; L116-Y120 HydrophobicContact CG-CE2 3.58Å; L116-Y120 VanDerWaalsContact O-CD2 3.24Å; L116-Y120 WeakPolarHBondContact O-CD2 3.44Å; L116-Y120 PolarHBondContact O-N 3.33Å; L116-Y120 VanDerWaalsContact O-N 3.09Å; L116-P126 HydrophobicContact CB-CG 4.16Å; L116-P126 HydrophobicContact CD1-CG 4.09Å; L116-P126 HydrophobicContact CG-CG 3.79Å; L116-P128 HydrophobicContact CD1-CB 3.65Å; L116-P128 HydrophobicContact CD1-CG 3.57Å; L116-I252 HydrophobicContact CD1-CD1 4.19Å; L116-I264 HydrophobicContact CD2-CD1 4.21Å
117	L	95	Very high	94.8	Very high	23 Å²	23	41.1 Å²	41.1	12%	0.12	19%	0.192	C	C	.	.	H	α-helix	trans	-57.6	-52.1	175.7	-63.4	-180	0	0	0	111.5	F113 N115 E119 Y120 E121 I264 Y267 L268	F113-L117 HydrophobicContact CD1-CD1 4.1Å; F113-L117 HydrophobicContact CD1-CG 4.33Å; F113-L117 HydrophobicContact CE1-CD1 3.8Å; F113-L117 HydrophobicContact CE1-CD2 4.14Å; F113-L117 HydrophobicContact CE1-CG 4.05Å; F113-L117 HydrophobicContact CZ-CD1 4.5Å; F113-L117 HydrophobicContact CZ-CD2 4Å; F113-L117 HydrophobicContact CZ-CG 4.34Å; F113-L117 PolarHBondContact O-N 2.87Å; N115-L117 PolarHBondContact O-N 2.9Å; L117-E119 VanDerWaalsContact C-N 3.26Å; L117-E119 PolarHBondContact O-N 3.1Å; L117-Y120 WeakPolarHBondContact O-CB 3.42Å; L117-Y120 PolarHBondContact O-N 2.99Å; L117-Y120 VanDerWaalsContact O-N 3.12Å; L117-E121 WeakPolarHBondContact O-CG 3.14Å; L117-E121 PolarHBondContact O-N 2.79Å; L117-I264 HydrophobicContact CD2-CD1 3.68Å; L117-Y267 HydrophobicContact CD2-CG 4.36Å; L117-L268 HydrophobicContact CB-CD2 4.27Å; L117-L268 HydrophobicContact CD2-CD2 4.3Å; L117-L268 HydrophobicContact CD2-CG 4.18Å
118	K	95.8	Very high	94.7	Very high	114 Å²	114	38.9 Å²	38.9	50%	0.496	18%	0.183	S	C	.	.	H	α-helix	trans	-60.2	-29.1	-179.8	-72.7	169.6	-174.6	174.9	0	114.4	S114 N115 K122	S114-K118 WeakPolarHBondContact O-CD 3.35Å; S114-K118 VanDerWaalsContact O-CG 3.23Å; S114-K118 WeakPolarHBondContact O-CG 3.45Å; S114-K118 PolarHBondContact O-N 3.06Å; N115-K118 PolarHBondContact O-N 3.21Å; K118-K122 VanDerWaalsContact O-CD 3.3Å; K118-K122 WeakPolarHBondContact O-CD 3.1Å; K118-K122 WeakPolarHBondContact O-CE 3.33Å; K118-K122 VanDerWaalsContact O-CG 3.24Å; K118-K122 WeakPolarHBondContact O-CG 3.48Å
119	E	96.1	Very high	94.7	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-81.6	-36.4	177.1	-67.4	-66	96.7	0	0	111.4	N115 L116 L117 K122 R124 P126 K413	N115-E119 WeakPolarHBondContact O-CG 3.43Å; N115-E119 PolarHBondContact O-N 3.33Å; L116-E119 PolarHBondContact O-N 3.38Å; L117-E119 VanDerWaalsContact C-N 3.26Å; L117-E119 PolarHBondContact O-N 3.1Å; E119-K122 CarbonylContact O-C 3.6Å; E119-K122 PolarHBondContact O-N 2.96Å; E119-K122 IonicContact OE1-NZ 2.68Å; E119-K122 PolarHBondContact OE1-NZ 3.34Å; E119-R124 HydrophobicContact CB-CB 4.41Å; E119-R124 VanDerWaalsContact CD-NH2 3.31Å; E119-R124 WeakPolarHBondContact O-CA 3.34Å; E119-R124 WeakPolarHBondContact O-CB 3.27Å; E119-R124 PolarHBondContact O-N 3.01Å; E119-R124 IonicContact OE1-CZ 2.68Å; E119-R124 IonicContact OE1-NE 3.74Å; E119-R124 IonicContact OE1-NH2 3.75Å; E119-R124 PolarHBondContact OE1-NH2 3.2Å; E119-R124 IonicContact OE2-CZ 2.69Å; E119-R124 IonicContact OE2-NE 3.04Å; E119-R124 PolarHBondContact OE2-NE 3.2Å; E119-R124 IonicContact OE2-NH2 3.47Å; E119-R124 PolarHBondContact OE2-NH2 2.82Å; E119-R124 VanDerWaalsContact OE2-NH2 3.09Å; E119-P126 HydrophobicContact CB-CB 3.98Å; E119-P126 HydrophobicContact CB-CG 4.09Å; E119-K413 IonicContact OE1-NZ 3.78Å; E119-K413 IonicContact OE2-NZ 3.77Å; E119-K413 PolarHBondContact OE2-NZ 3.19Å
120	Y	95.5	Very high	94.8	Very high	16 Å²	16	35 Å²	35	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-44.6	171.5	-85.5	-55.1	0	0	0	112.5	L116 L117 K122 G123 R124 T125 P126 F260 I264 F291	L116-Y120 HydrophobicContact CD1-CE2 3.92Å; L116-Y120 HydrophobicContact CD2-CD2 3.81Å; L116-Y120 HydrophobicContact CD2-CE2 3.76Å; L116-Y120 HydrophobicContact CG-CD2 3.78Å; L116-Y120 HydrophobicContact CG-CE2 3.58Å; L116-Y120 VanDerWaalsContact O-CD2 3.24Å; L116-Y120 WeakPolarHBondContact O-CD2 3.44Å; L116-Y120 PolarHBondContact O-N 3.33Å; L116-Y120 VanDerWaalsContact O-N 3.09Å; L117-Y120 WeakPolarHBondContact O-CB 3.42Å; L117-Y120 PolarHBondContact O-N 2.99Å; L117-Y120 VanDerWaalsContact O-N 3.12Å; Y120-K122 PolarHBondContact O-N 3.5Å; Y120-G123 PolarHBondContact O-N 3.24Å; Y120-R124 WeakPolarHBondContact CA-O 3.41Å; Y120-R124 WeakPolarHBondContact CD1-O 3.23Å; Y120-T125 HydrophobicContact CE1-CG2 4.18Å; Y120-P126 HydrophobicContact CD2-CG 3.85Å; Y120-P126 HydrophobicContact CE1-CG 4.5Å; Y120-P126 HydrophobicContact CE2-CG 3.64Å; Y120-P126 HydrophobicContact CG-CG 4.35Å; Y120-F260 HydrophobicContact CD1-CZ 4.31Å; Y120-F260 HydrophobicContact CD2-CZ 4.34Å; Y120-F260 HydrophobicContact CE1-CE1 4.23Å; Y120-F260 HydrophobicContact CE1-CE2 4.49Å; Y120-F260 AromaticContact CE1-CZ 3.62Å; Y120-F260 HydrophobicContact CE1-CZ 3.62Å; Y120-F260 AromaticContact CE2-CE2 3.85Å; Y120-F260 HydrophobicContact CE2-CE2 3.85Å; Y120-F260 AromaticContact CE2-CZ 3.64Å; Y120-F260 HydrophobicContact CE2-CZ 3.64Å; Y120-F260 AromaticContact CZ-CE2 3.71Å; Y120-F260 AromaticContact CZ-CZ 3.25Å; Y120-F260 WeakPolarHBondContact OH-CE2 3.45Å; Y120-F260 VanDerWaalsContact OH-CZ 3.32Å; Y120-F260 WeakPolarHBondContact OH-CZ 3.28Å; Y120-I264 HydrophobicContact CD2-CD1 3.78Å; Y120-I264 HydrophobicContact CD2-CG1 4.43Å; Y120-I264 HydrophobicContact CE2-CD1 4.22Å; Y120-I264 HydrophobicContact CG-CD1 4.42Å; Y120-F291 WeakPolarHBondContact CD1-O 3.5Å; Y120-F291 WeakPolarHBondContact O-CB 3.35Å
121	E	94.2	Very high	94.8	Very high	88 Å²	88	29.4 Å²	29.4	41%	0.411	15%	0.145	S	C	.	.	H	α-helix	trans	-54.9	-38.9	173.3	-71	-176.7	115.1	0	0	112.2	L117 G123 L268 W290	L117-E121 WeakPolarHBondContact O-CG 3.14Å; L117-E121 PolarHBondContact O-N 2.79Å; E121-G123 PolarHBondContact O-N 3.15Å; E121-L268 HydrophobicContact CG-CD1 4.07Å; E121-L268 HydrophobicContact CG-CD2 3.64Å; E121-W290 PolarHBondContact O-NE1 3.39Å
122	K	95.5	Very high	94.8	Very high	93 Å²	93	27.3 Å²	27.3	40%	0.404	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	21.5	175.9	-61	168.1	-155.4	157.9	0	113.5	K118 E119 Y120 R124 I315	K118-K122 VanDerWaalsContact O-CD 3.3Å; K118-K122 WeakPolarHBondContact O-CD 3.1Å; K118-K122 WeakPolarHBondContact O-CE 3.33Å; K118-K122 VanDerWaalsContact O-CG 3.24Å; K118-K122 WeakPolarHBondContact O-CG 3.48Å; E119-K122 CarbonylContact O-C 3.6Å; E119-K122 PolarHBondContact O-N 2.96Å; E119-K122 IonicContact OE1-NZ 2.68Å; E119-K122 PolarHBondContact OE1-NZ 3.34Å; Y120-K122 PolarHBondContact O-N 3.5Å; K122-R124 WeakPolarHBondContact O-CG 3.49Å; K122-R124 PolarHBondContact O-N 3.05Å; K122-I315 VanDerWaalsContact C-CD1 3.45Å; K122-I315 WeakPolarHBondContact O-CD1 3.46Å
123	G	94.7	Very high	94.9	Very high	11 Å²	11	27.4 Å²	27.4	11%	0.113	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-2.3	177.7	0	0	0	0	0	115.8	Y120 E121 K313	Y120-G123 PolarHBondContact O-N 3.24Å; E121-G123 PolarHBondContact O-N 3.15Å; G123-K313 WeakPolarHBondContact O-CD 3.45Å; G123-K313 PolarHBondContact O-NZ 2.96Å
124	R	96.4	Very high	94.9	Very high	61 Å²	61	30.7 Å²	30.7	23%	0.23	15%	0.148	C	C	.	.			trans	-85.7	156.5	-177	-59.4	-159.9	-82.7	-102.1	2.7	110.9	E119 Y120 K122 P126 P396	E119-R124 HydrophobicContact CB-CB 4.41Å; E119-R124 VanDerWaalsContact CD-NH2 3.31Å; E119-R124 WeakPolarHBondContact O-CA 3.34Å; E119-R124 WeakPolarHBondContact O-CB 3.27Å; E119-R124 PolarHBondContact O-N 3.01Å; E119-R124 IonicContact OE1-CZ 2.68Å; E119-R124 IonicContact OE1-NE 3.74Å; E119-R124 IonicContact OE1-NH2 3.75Å; E119-R124 PolarHBondContact OE1-NH2 3.2Å; E119-R124 IonicContact OE2-CZ 2.69Å; E119-R124 IonicContact OE2-NE 3.04Å; E119-R124 PolarHBondContact OE2-NE 3.2Å; E119-R124 IonicContact OE2-NH2 3.47Å; E119-R124 PolarHBondContact OE2-NH2 2.82Å; E119-R124 VanDerWaalsContact OE2-NH2 3.09Å; Y120-R124 WeakPolarHBondContact CA-O 3.41Å; Y120-R124 WeakPolarHBondContact CD1-O 3.23Å; K122-R124 WeakPolarHBondContact O-CG 3.49Å; K122-R124 PolarHBondContact O-N 3.05Å; R124-P126 WeakPolarHBondContact O-CD 3.44Å; R124-P396 WeakPolarHBondContact CA-O 3.49Å; R124-P396 WeakPolarHBondContact CB-O 3.36Å; R124-P396 HydrophobicContact CG-CB 3.92Å
125	T	95.6	Very high	95	Very high	12 Å²	12	31.7 Å²	31.7	7%	0.074	15%	0.15	C	C	.	.			trans	-107.8	97.3	173.8	-55.2	0	0	0	0	108.5	Y120 T294 P396 G397 Q398	Y120-T125 HydrophobicContact CE1-CG2 4.18Å; T125-T294 HydrophobicContact CG2-CG2 3.95Å; T125-T294 VanDerWaalsContact CG2-OG1 3.3Å; T125-T294 WeakPolarHBondContact CG2-OG1 3.14Å; T125-T294 WeakPolarHBondContact OG1-CG2 3.11Å; T125-T294 PolarHBondContact OG1-OG1 3.47Å; T125-P396 PolarHBondContact N-O 2.89Å; T125-G397 CarbonylContact O-C 3.59Å; T125-Q398 PolarHBondContact O-N 3.11Å; T125-Q398 VanDerWaalsContact O-N 3.11Å; T125-Q398 PolarHBondContact O-NE2 2.77Å
126	P	94.9	Very high	95	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.039	14%	0.138	C	C	.	.			trans	-68.6	162.7	-178.8	28.9	-36.8	0	0	0	113.4	L116 E119 Y120 R124 G397 Q398	L116-P126 HydrophobicContact CB-CG 4.16Å; L116-P126 HydrophobicContact CD1-CG 4.09Å; L116-P126 HydrophobicContact CG-CG 3.79Å; E119-P126 HydrophobicContact CB-CB 3.98Å; E119-P126 HydrophobicContact CB-CG 4.09Å; Y120-P126 HydrophobicContact CD2-CG 3.85Å; Y120-P126 HydrophobicContact CE1-CG 4.5Å; Y120-P126 HydrophobicContact CE2-CG 3.64Å; Y120-P126 HydrophobicContact CG-CG 4.35Å; R124-P126 WeakPolarHBondContact O-CD 3.44Å; P126-G397 WeakPolarHBondContact CA-O 3.19Å; P126-Q398 PolarHBondContact O-NE2 2.93Å
127	N	94.3	Very high	94.8	Very high	17 Å²	17	29.5 Å²	29.5	9%	0.091	14%	0.138	C	C	.	.			trans	-112.5	97.6	168.3	-164	-58.9	0	0	0	110.4	D129 I130 Q398 F399	N127-D129 VanDerWaalsContact C-N 3.33Å; N127-D129 PolarHBondContact O-N 2.72Å; N127-D129 PolarHBondContact OD1-N 3.16Å; N127-I130 HydrophobicContact CB-CD1 4.13Å; N127-I130 PolarHBondContact OD1-N 2.93Å; N127-Q398 PolarHBondContact ND2-OE1 2.81Å; N127-F399 HydrophobicContact CB-CD2 3.96Å; N127-F399 HydrophobicContact CB-CE2 4.3Å
128	P	93.4	Very high	94.8	Very high	13 Å²	13	28.4 Å²	28.4	8%	0.084	13%	0.132	C	C	.	.	H	α-helix	trans	-71	-26.5	-176.3	27.6	-33.6	0	0	0	113.1	V112 L116 I130 L131 C132 I252	V112-P128 HydrophobicContact CG1-CB 3.83Å; V112-P128 WeakPolarHBondContact CG1-O 3.46Å; L116-P128 HydrophobicContact CD1-CB 3.65Å; L116-P128 HydrophobicContact CD1-CG 3.57Å; P128-I130 PolarHBondContact O-N 2.86Å; P128-L131 PolarHBondContact O-N 2.98Å; P128-C132 VanDerWaalsContact O-CB 3.24Å; P128-C132 WeakPolarHBondContact O-CB 3.49Å; P128-C132 PolarHBondContact O-N 3.07Å; P128-I252 HydrophobicContact CB-CG2 4.13Å; P128-I252 HydrophobicContact CG-CB 4.39Å; P128-I252 HydrophobicContact CG-CG1 4.05Å; P128-I252 HydrophobicContact CG-CG2 3.75Å
129	D	92.7	Very high	94.7	Very high	26 Å²	26	24.8 Å²	24.8	14%	0.139	12%	0.119	C	C	.	.	H	α-helix	trans	-68.8	-35.3	-176.6	-73.3	5.8	0	0	0	112.2	N127 C132 N133 F207 C253	N127-D129 VanDerWaalsContact C-N 3.33Å; N127-D129 PolarHBondContact O-N 2.72Å; N127-D129 PolarHBondContact OD1-N 3.16Å; D129-C132 WeakPolarHBondContact O-CB 3.44Å; D129-N133 PolarHBondContact O-N 3.48Å; D129-N133 PolarHBondContact O-ND2 3.43Å; D129-F207 HydrophobicContact CB-CD1 3.68Å; D129-F207 HydrophobicContact CB-CE1 3.95Å; D129-C253 WeakPolarHBondContact OD1-CB 3.18Å; D129-C253 PolarHBondContact OD1-N 3.42Å
130	I	95.7	Very high	94.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-45.7	171.5	-74.7	173.3	0	0	0	110.8	N127 P128 N133 K134 F206 F207 Q210 F399	N127-I130 HydrophobicContact CB-CD1 4.13Å; N127-I130 PolarHBondContact OD1-N 2.93Å; P128-I130 PolarHBondContact O-N 2.86Å; I130-N133 PolarHBondContact O-N 2.76Å; I130-K134 WeakPolarHBondContact O-CB 2.99Å; I130-K134 PolarHBondContact O-N 3.14Å; I130-F206 HydrophobicContact CD1-CD1 4.44Å; I130-F206 HydrophobicContact CD1-CE1 3.95Å; I130-F206 HydrophobicContact CD1-CZ 4.34Å; I130-F207 HydrophobicContact CG1-CD1 4.33Å; I130-Q210 HydrophobicContact CG2-CB 3.85Å; I130-Q210 HydrophobicContact CG2-CG 3.36Å; I130-F399 HydrophobicContact CB-CD2 4.32Å; I130-F399 HydrophobicContact CB-CE2 4.3Å; I130-F399 HydrophobicContact CD1-CB 3.63Å; I130-F399 HydrophobicContact CD1-CD2 3.64Å; I130-F399 HydrophobicContact CD1-CE2 4.45Å; I130-F399 HydrophobicContact CD1-CG 3.7Å; I130-F399 HydrophobicContact CG2-CD1 4.23Å; I130-F399 HydrophobicContact CG2-CD2 4.08Å; I130-F399 HydrophobicContact CG2-CE1 4.1Å; I130-F399 HydrophobicContact CG2-CE2 3.93Å; I130-F399 HydrophobicContact CG2-CG 4.22Å; I130-F399 HydrophobicContact CG2-CZ 3.95Å
131	L	95.6	Very high	94.5	Very high	17 Å²	17	26.6 Å²	26.6	9%	0.089	13%	0.127	C	C	.	.	H	α-helix	trans	-69.3	-39	178.7	-62	178.6	0	0	0	111.9	V112 N115 P128 N133 K134 H135 F399	V112-L131 HydrophobicContact CG1-CB 4.22Å; V112-L131 HydrophobicContact CG2-CB 4.26Å; N115-L131 HydrophobicContact CB-CD1 4.47Å; N115-L131 WeakPolarHBondContact ND2-CD1 3.44Å; P128-L131 PolarHBondContact O-N 2.98Å; L131-N133 VanDerWaalsContact C-N 3.3Å; L131-N133 PolarHBondContact O-N 2.92Å; L131-K134 PolarHBondContact O-N 2.86Å; L131-H135 WeakPolarHBondContact O-CB 3.05Å; L131-H135 PolarHBondContact O-CD2 3.17Å; L131-H135 PolarHBondContact O-N 3.11Å; L131-F399 HydrophobicContact CD2-CZ 4.13Å
132	C	94	Very high	94.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-55.1	-44.2	171.6	164.9	0	0	0	0	112	Y108 P128 D129 I136 K137 C253 F254	Y108-C132 HydrophobicContact CE2-CB 4.31Å; P128-C132 VanDerWaalsContact O-CB 3.24Å; P128-C132 WeakPolarHBondContact O-CB 3.49Å; P128-C132 PolarHBondContact O-N 3.07Å; D129-C132 WeakPolarHBondContact O-CB 3.44Å; C132-I136 WeakPolarHBondContact O-CA 3.34Å; C132-I136 WeakPolarHBondContact O-CB 3.15Å; C132-I136 PolarHBondContact O-N 3.27Å; C132-K137 PolarHBondContact O-N 3.31Å; C132-K137 PolarHBondContact SG-NZ 2.87Å; C132-C253 VanDerWaalsContact SG-SG 3.61Å; C132-F254 WeakPolarHBondContact SG-CE2 3.29Å
133	N	95	Very high	94.3	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.011	11%	0.114	C	C	.	.	I	π-helix	trans	-66.2	-51.3	173.6	-74.9	-27.1	0	0	0	111.3	D129 I130 L131 H135 K137 F138 F207 L208 I211	D129-N133 PolarHBondContact O-N 3.48Å; D129-N133 PolarHBondContact O-ND2 3.43Å; I130-N133 PolarHBondContact O-N 2.76Å; L131-N133 VanDerWaalsContact C-N 3.3Å; L131-N133 PolarHBondContact O-N 2.92Å; N133-H135 PolarHBondContact O-N 3.15Å; N133-K137 PolarHBondContact O-N 2.84Å; N133-K137 WeakPolarHBondContact OD1-CD 3.28Å; N133-K137 PolarHBondContact OD1-NZ 3.11Å; N133-F138 HydrophobicContact CB-CD2 4.11Å; N133-F138 HydrophobicContact CB-CE2 4.36Å; N133-F138 WeakPolarHBondContact O-CB 3.39Å; N133-F138 WeakPolarHBondContact O-CD2 3.45Å; N133-F138 PolarHBondContact O-N 2.99Å; N133-F207 WeakPolarHBondContact ND2-CB 3.38Å; N133-F207 PolarHBondContact ND2-O 3.06Å; N133-L208 HydrophobicContact CB-CD2 4.31Å; N133-I211 HydrophobicContact CB-CG2 4.49Å
134	K	95.8	Very high	94.2	Very high	68 Å²	68	25.3 Å²	25.3	30%	0.296	12%	0.117	S	C	.	.	I	π-helix	trans	-55.7	-49.6	-178.6	-177.8	178.1	-159.6	165.5	0	113.6	I130 L131 N139 Q210	I130-K134 WeakPolarHBondContact O-CB 2.99Å; I130-K134 PolarHBondContact O-N 3.14Å; L131-K134 PolarHBondContact O-N 2.86Å; K134-N139 VanDerWaalsContact O-CB 3.31Å; K134-N139 WeakPolarHBondContact O-CB 3.43Å; K134-Q210 HydrophobicContact CB-CB 4Å; K134-Q210 HydrophobicContact CD-CB 3.97Å; K134-Q210 HydrophobicContact CG-CB 4.22Å; K134-Q210 WeakPolarHBondContact CG-O 3.44Å
135	H	96.1	Very high	93.7	Very high	46 Å²	46	22.4 Å²	22.4	21%	0.213	11%	0.106	C	C	.	.	I	π-helix	trans	-94	-46.9	-170.2	-68.8	-92.5	0	0	0	112.3	D111 L131 N133 N139 H140	D111-H135 HydrophobicContact CB-CB 3.8Å; D111-H135 IonicContact OD2-CE1 3.43Å; D111-H135 IonicContact OD2-CG 2.75Å; D111-H135 IonicContact OD2-ND1 3.22Å; D111-H135 PolarHBondContact OD2-ND1 2.86Å; L131-H135 WeakPolarHBondContact O-CB 3.05Å; L131-H135 PolarHBondContact O-CD2 3.17Å; L131-H135 PolarHBondContact O-N 3.11Å; N133-H135 PolarHBondContact O-N 3.15Å; H135-N139 VanDerWaalsContact O-CB 3.24Å; H135-N139 WeakPolarHBondContact O-CB 3.49Å; H135-H140 PolarHBondContact O-CD2 3.45Å; H135-H140 VanDerWaalsContact O-CD2 3.23Å; H135-H140 PolarHBondContact O-N 2.65Å
136	I	94.1	Very high	93.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-90.3	-58.9	-171.7	-46.9	-56.4	0	0	0	111	M67 N69 Y104 E107 Y108 V112 C132 H140 F141	M67-I136 HydrophobicContact SD-CG2 4.05Å; N69-I136 WeakPolarHBondContact ND2-CG2 3.5Å; Y104-I136 HydrophobicContact CD2-CG2 3.81Å; Y104-I136 HydrophobicContact CG-CG2 4.13Å; E107-I136 HydrophobicContact CB-CD1 3.79Å; Y108-I136 HydrophobicContact CD2-CG1 4.17Å; V112-I136 HydrophobicContact CG2-CG1 4.07Å; C132-I136 WeakPolarHBondContact O-CA 3.34Å; C132-I136 WeakPolarHBondContact O-CB 3.15Å; C132-I136 PolarHBondContact O-N 3.27Å; I136-H140 PolarHBondContact O-N 2.86Å; I136-F141 WeakPolarHBondContact O-CB 3.42Å; I136-F141 PolarHBondContact O-N 2.84Å
137	K	91.4	Very high	93.1	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.013	13%	0.129	C	C	.	.	I	π-helix	trans	-74.6	-42.1	-171.1	-51.2	-161.1	-163.3	101.4	0	114	L37 M67 C132 N133 F141 H142	L37-K137 HydrophobicContact CD1-CD 4.16Å; M67-K137 HydrophobicContact CE-CB 4.3Å; M67-K137 HydrophobicContact CE-CG 4.04Å; C132-K137 PolarHBondContact O-N 3.31Å; C132-K137 PolarHBondContact SG-NZ 2.87Å; N133-K137 PolarHBondContact O-N 2.84Å; N133-K137 WeakPolarHBondContact OD1-CD 3.28Å; N133-K137 PolarHBondContact OD1-NZ 3.11Å; K137-F141 WeakPolarHBondContact O-CD1 3.39Å; K137-H142 PolarHBondContact O-N 3.02Å
138	F	94.5	Very high	92.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	I	π-helix	trans	-106.5	21.6	-175.7	-65.8	-100	0	0	0	112.7	N133 M154 T156 L208 I211 A215 T219 F221	N133-F138 HydrophobicContact CB-CD2 4.11Å; N133-F138 HydrophobicContact CB-CE2 4.36Å; N133-F138 WeakPolarHBondContact O-CB 3.39Å; N133-F138 WeakPolarHBondContact O-CD2 3.45Å; N133-F138 PolarHBondContact O-N 2.99Å; F138-M154 HydrophobicContact CD1-CE 4.31Å; F138-M154 HydrophobicContact CE1-CE 4.27Å; F138-T156 HydrophobicContact CZ-CG2 4.33Å; F138-L208 HydrophobicContact CD2-CD2 4.25Å; F138-L208 HydrophobicContact CE2-CD2 3.36Å; F138-L208 HydrophobicContact CZ-CD2 3.53Å; F138-I211 HydrophobicContact CB-CB 4.01Å; F138-I211 HydrophobicContact CB-CG2 3.73Å; F138-I211 HydrophobicContact CD1-CB 4.14Å; F138-I211 HydrophobicContact CD1-CD1 4.21Å; F138-I211 HydrophobicContact CD1-CG2 3.85Å; F138-I211 HydrophobicContact CD2-CG2 3.53Å; F138-I211 HydrophobicContact CE1-CD1 4.14Å; F138-I211 HydrophobicContact CE1-CG2 4.31Å; F138-I211 HydrophobicContact CE2-CG2 4.07Å; F138-I211 HydrophobicContact CG-CB 4.02Å; F138-I211 HydrophobicContact CG-CG2 3.43Å; F138-I211 VanDerWaalsContact CG-CG2 3.43Å; F138-I211 HydrophobicContact CZ-CG2 4.43Å; F138-A215 HydrophobicContact CB-CB 3.99Å; F138-A215 HydrophobicContact CD1-CB 4.31Å; F138-A215 WeakPolarHBondContact O-CB 3.45Å; F138-T219 HydrophobicContact CE1-CG2 3.79Å; F138-T219 HydrophobicContact CZ-CG2 4.44Å; F138-F221 HydrophobicContact CE1-CE1 4.24Å; F138-F221 HydrophobicContact CE1-CZ 4.05Å; F138-F221 AromaticContact CZ-CE1 3.97Å; F138-F221 HydrophobicContact CZ-CE1 3.97Å; F138-F221 HydrophobicContact CZ-CZ 4.14Å
139	N	94.4	Very high	92.6	Very high	39 Å²	39	32.6 Å²	32.6	21%	0.209	16%	0.158	C	C	.	.	I	π-helix	trans	-143.6	-69.9	172.3	165	28.5	0	0	0	110.8	K134 H135 K143	K134-N139 VanDerWaalsContact O-CB 3.31Å; K134-N139 WeakPolarHBondContact O-CB 3.43Å; H135-N139 VanDerWaalsContact O-CB 3.24Å; H135-N139 WeakPolarHBondContact O-CB 3.49Å; N139-K143 VanDerWaalsContact O-CB 3.3Å; N139-K143 WeakPolarHBondContact O-CB 3.13Å; N139-K143 VanDerWaalsContact O-CG 3.25Å; N139-K143 WeakPolarHBondContact O-CG 3.24Å; N139-K143 PolarHBondContact O-N 3.26Å; N139-K143 WeakPolarHBondContact OD1-CD 3.43Å; N139-K143 VanDerWaalsContact OD1-CE 3.23Å; N139-K143 WeakPolarHBondContact OD1-CE 3.38Å; N139-K143 PolarHBondContact OD1-NZ 3.48Å
140	H	94.5	Very high	92.4	Very high	56 Å²	56	33.7 Å²	33.7	26%	0.259	18%	0.176	S	C	.	.	I	π-helix	trans	-63	-48.7	178.9	-80.2	-78.8	0	0	0	113.5	Y104 H135 I136 Y144	Y104-H140 HydrophobicContact CD1-CB 4.09Å; Y104-H140 HydrophobicContact CE1-CB 3.96Å; Y104-H140 PolarHBondContact OH-O 3.46Å; H135-H140 PolarHBondContact O-CD2 3.45Å; H135-H140 VanDerWaalsContact O-CD2 3.23Å; H135-H140 PolarHBondContact O-N 2.65Å; I136-H140 PolarHBondContact O-N 2.86Å; H140-Y144 WeakPolarHBondContact O-CB 3.38Å; H140-Y144 PolarHBondContact O-N 3.43Å; H140-Y144 VanDerWaalsContact O-N 3.08Å
141	F	92.3	Very high	91.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-70	-40.5	177	172.4	-107.6	0	0	0	112.9	T31 S33 V65 M67 Y104 I136 K137 Y144 A145 M154	T31-F141 HydrophobicContact CG2-CE2 4.15Å; T31-F141 HydrophobicContact CG2-CZ 3.8Å; S33-F141 VanDerWaalsContact CB-CE1 3.46Å; S33-F141 VanDerWaalsContact OG-CE1 3.27Å; S33-F141 WeakPolarHBondContact OG-CE1 3.44Å; V65-F141 HydrophobicContact CB-CE2 3.66Å; V65-F141 HydrophobicContact CB-CZ 4.26Å; V65-F141 HydrophobicContact CG1-CD2 4.31Å; V65-F141 HydrophobicContact CG1-CE2 3.72Å; V65-F141 HydrophobicContact CG2-CE2 4.12Å; M67-F141 HydrophobicContact CE-CB 3.48Å; M67-F141 VanDerWaalsContact CE-CB 3.48Å; M67-F141 HydrophobicContact CE-CD1 3.63Å; M67-F141 HydrophobicContact CE-CD2 3.83Å; M67-F141 HydrophobicContact CE-CE1 4.36Å; M67-F141 HydrophobicContact CE-CG 3.32Å; M67-F141 HydrophobicContact CG-CD2 4.42Å; M67-F141 HydrophobicContact SD-CB 3.88Å; M67-F141 HydrophobicContact SD-CD2 4.42Å; M67-F141 HydrophobicContact SD-CG 4.18Å; Y104-F141 HydrophobicContact CE2-CB 4.01Å; Y104-F141 WeakPolarHBondContact OH-CA 3.42Å; I136-F141 WeakPolarHBondContact O-CB 3.42Å; I136-F141 PolarHBondContact O-N 2.84Å; K137-F141 WeakPolarHBondContact O-CD1 3.39Å; F141-Y144 HydrophobicContact CD2-CD1 4.49Å; F141-Y144 PolarHBondContact O-N 2.92Å; F141-A145 WeakPolarHBondContact O-CB 3.47Å; F141-A145 PolarHBondContact O-N 2.97Å; F141-M154 HydrophobicContact CD1-CE 3.86Å; F141-M154 HydrophobicContact CD1-SD 4.08Å; F141-M154 HydrophobicContact CE1-CB 4.28Å; F141-M154 HydrophobicContact CE1-CE 3.87Å; F141-M154 HydrophobicContact CE1-SD 4.15Å
142	H	92.2	Very high	91.3	Very high	16 Å²	16	36.3 Å²	36.3	7%	0.074	19%	0.19	C	C	.	.	H	α-helix	trans	-55	-52.5	173	169.5	-106.2	0	0	0	111.3	K137 Y144 A145 I146 M154 A215 Q218	K137-H142 PolarHBondContact O-N 3.02Å; H142-Y144 VanDerWaalsContact C-N 3.33Å; H142-Y144 PolarHBondContact O-N 2.89Å; H142-A145 PolarHBondContact O-N 2.77Å; H142-I146 WeakPolarHBondContact O-CG1 3.44Å; H142-I146 PolarHBondContact O-N 3.04Å; H142-M154 HydrophobicContact CB-SD 3.66Å; H142-A215 HydrophobicContact CB-CB 4.4Å; H142-Q218 PolarHBondContact CE1-OE1 2.86Å; H142-Q218 PolarHBondContact NE2-OE1 3.48Å
143	K	92.4	Very high	90.9	Very high	105 Å²	105	36.3 Å²	36.3	46%	0.457	19%	0.19	S	C	.	.	H	α-helix	trans	-60	-39.7	177	-75	169.1	177.1	165.9	0	113.1	N139 H147	N139-K143 VanDerWaalsContact O-CB 3.3Å; N139-K143 WeakPolarHBondContact O-CB 3.13Å; N139-K143 VanDerWaalsContact O-CG 3.25Å; N139-K143 WeakPolarHBondContact O-CG 3.24Å; N139-K143 PolarHBondContact O-N 3.26Å; N139-K143 WeakPolarHBondContact OD1-CD 3.43Å; N139-K143 VanDerWaalsContact OD1-CE 3.23Å; N139-K143 WeakPolarHBondContact OD1-CE 3.38Å; N139-K143 PolarHBondContact OD1-NZ 3.48Å; K143-H147 WeakPolarHBondContact O-CA 3.38Å; K143-H147 VanDerWaalsContact O-CB 3.26Å; K143-H147 WeakPolarHBondContact O-CB 3.39Å; K143-H147 PolarHBondContact O-CD2 2.64Å; K143-H147 PolarHBondContact O-N 2.8Å
144	Y	92.1	Very high	90.7	Very high	44 Å²	44	36.2 Å²	36.2	17%	0.173	19%	0.19	C	C	.	.	I	π-helix	trans	-64.6	-46	176.1	174.7	-102.5	0	0	0	112	V65 V102 Y104 H140 F141 H142 T148 L149	V65-Y144 HydrophobicContact CG1-CE1 4.08Å; V102-Y144 HydrophobicContact CB-CE1 4.42Å; Y104-Y144 WeakPolarHBondContact OH-CB 3.46Å; H140-Y144 WeakPolarHBondContact O-CB 3.38Å; H140-Y144 PolarHBondContact O-N 3.43Å; H140-Y144 VanDerWaalsContact O-N 3.08Å; F141-Y144 HydrophobicContact CD2-CD1 4.49Å; F141-Y144 PolarHBondContact O-N 2.92Å; H142-Y144 VanDerWaalsContact C-N 3.33Å; H142-Y144 PolarHBondContact O-N 2.89Å; Y144-T148 HydrophobicContact CD2-CG2 3.86Å; Y144-T148 HydrophobicContact CE2-CG2 3.68Å; Y144-T148 CarbonylContact O-C 3.54Å; Y144-T148 WeakPolarHBondContact O-CA 3.44Å; Y144-T148 WeakPolarHBondContact O-CB 3.16Å; Y144-T148 PolarHBondContact O-N 2.98Å; Y144-L149 HydrophobicContact CD1-CD1 4.24Å; Y144-L149 HydrophobicContact CD1-CG 4.34Å; Y144-L149 HydrophobicContact CE1-CD1 3.71Å; Y144-L149 HydrophobicContact CE1-CD2 4.22Å; Y144-L149 HydrophobicContact CE1-CG 3.84Å; Y144-L149 PolarHBondContact O-N 2.82Å
145	A	87.8	Confident	90.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-59.1	-51.3	176.7	0	0	0	0	0	111.6	T31 F141 H142 L149 G150 A151 M154	T31-A145 HydrophobicContact CG2-CB 3.97Å; F141-A145 WeakPolarHBondContact O-CB 3.47Å; F141-A145 PolarHBondContact O-N 2.97Å; H142-A145 PolarHBondContact O-N 2.77Å; A145-L149 WeakPolarHBondContact O-CB 3.37Å; A145-G150 PolarHBondContact O-N 2.8Å; A145-A151 WeakPolarHBondContact O-CB 3.18Å; A145-A151 PolarHBondContact O-N 2.77Å; A145-M154 HydrophobicContact CB-CB 4.39Å
146	I	87.6	Confident	89.9	Confident	12 Å²	12	30.9 Å²	30.9	6%	0.062	17%	0.166	C	C	.	.	I	π-helix	trans	-75.5	-46.7	-174.7	-53.8	-59.1	0	0	0	112.2	H142 G150 A151 H174 Q218	H142-I146 WeakPolarHBondContact O-CG1 3.44Å; H142-I146 PolarHBondContact O-N 3.04Å; I146-G150 VanDerWaalsContact O-CA 3.29Å; I146-G150 WeakPolarHBondContact O-CA 2.96Å; I146-G150 PolarHBondContact O-N 2.8Å; I146-A151 WeakPolarHBondContact CD1-O 3.49Å; I146-H174 VanDerWaalsContact CG2-CE1 3.47Å; I146-H174 WeakPolarHBondContact CG2-CE1 3.3Å; I146-Q218 HydrophobicContact CD1-CB 4.45Å
147	H	89.7	Confident	89.5	Confident	116 Å²	116	31 Å²	31	54%	0.537	17%	0.167	S	C	.	.	I	π-helix	trans	-95.6	-22.4	-171.5	-53.1	-57.1	0	0	0	114.9	K143 H174	K143-H147 WeakPolarHBondContact O-CA 3.38Å; K143-H147 VanDerWaalsContact O-CB 3.26Å; K143-H147 WeakPolarHBondContact O-CB 3.39Å; K143-H147 PolarHBondContact O-CD2 2.64Å; K143-H147 PolarHBondContact O-N 2.8Å; H147-H174 AromaticContact CE1-CE1 3.69Å; H147-H174 AromaticContact CE1-NE2 3.6Å
148	T	90.6	Very high	89.4	Confident	98 Å²	98	30.9 Å²	30.9	60%	0.601	17%	0.167	S	C	*	.	I	π-helix	trans	-105.3	-42.1	-178.5	-47.2	0	0	0	0	112.4	Y144	Y144-T148 HydrophobicContact CD2-CG2 3.86Å; Y144-T148 HydrophobicContact CE2-CG2 3.68Å; Y144-T148 CarbonylContact O-C 3.54Å; Y144-T148 WeakPolarHBondContact O-CA 3.44Å; Y144-T148 WeakPolarHBondContact O-CB 3.16Å; Y144-T148 PolarHBondContact O-N 2.98Å
149	L	87.3	Confident	89.2	Confident	36 Å²	36	31.2 Å²	31.2	19%	0.188	17%	0.168	C	C	.	.	S	Bend	trans	-86.3	-12.1	172.5	-59.5	-179.8	0	0	0	112.9	L29 T31 T63 V65 Y144 A145 A151	L29-L149 WeakPolarHBondContact CD2-O 3.4Å; T31-L149 HydrophobicContact CG2-CD1 3.87Å; T63-L149 HydrophobicContact CG2-CD1 4.2Å; V65-L149 HydrophobicContact CG2-CD1 3.64Å; Y144-L149 HydrophobicContact CD1-CD1 4.24Å; Y144-L149 HydrophobicContact CD1-CG 4.34Å; Y144-L149 HydrophobicContact CE1-CD1 3.71Å; Y144-L149 HydrophobicContact CE1-CD2 4.22Å; Y144-L149 HydrophobicContact CE1-CG 3.84Å; Y144-L149 PolarHBondContact O-N 2.82Å; A145-L149 WeakPolarHBondContact O-CB 3.37Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 3.1Å
150	G	87.7	Confident	89.2	Confident	49 Å²	49	29.3 Å²	29.3	51%	0.505	16%	0.158	S	C	.	.			trans	72.1	21.2	179.2	0	0	0	0	0	114	A145 I146	A145-G150 PolarHBondContact O-N 2.8Å; I146-G150 VanDerWaalsContact O-CA 3.29Å; I146-G150 WeakPolarHBondContact O-CA 2.96Å; I146-G150 PolarHBondContact O-N 2.8Å
151	A	85.2	Confident	89.2	Confident	4 Å²	4	30.9 Å²	30.9	3%	0.033	16%	0.161	C	C	.	.			trans	-72.7	145.7	-176.6	0	0	0	0	0	112.4	L29 T31 A145 I146 L149 A153	L29-A151 HydrophobicContact CD2-CB 4.44Å; L29-A151 HydrophobicContact CG-CB 4.1Å; L29-A151 WeakPolarHBondContact O-CA 2.77Å; L29-A151 WeakPolarHBondContact O-CB 3.45Å; T31-A151 WeakPolarHBondContact OG1-CB 3.39Å; A145-A151 WeakPolarHBondContact O-CB 3.18Å; A145-A151 PolarHBondContact O-N 2.77Å; I146-A151 WeakPolarHBondContact CD1-O 3.49Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 3.1Å; A151-A153 VanDerWaalsContact C-N 3.34Å
152	D	82.6	Confident	89.2	Confident	69 Å²	69	32.1 Å²	32.1	37%	0.369	17%	0.169	S	C	.	.	S	Bend	trans	-73.1	-32.6	175.4	-57.3	-64.8	0	0	0	110.9	L29 F170	L29-D152 PolarHBondContact N-OD2 2.95Å; L29-D152 PolarHBondContact O-N 3.27Å; D152-F170 HydrophobicContact CB-CD1 3.86Å; D152-F170 HydrophobicContact CB-CE1 4.26Å
153	A	86.8	Confident	89.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	167.2	179.2	0	0	0	0	0	112.5	L30 T31 A151 V169 F170	L30-A153 HydrophobicContact CD1-CB 3.87Å; T31-A153 PolarHBondContact N-O 3.27Å; A151-A153 VanDerWaalsContact C-N 3.34Å; A153-V169 HydrophobicContact CB-CG1 3.73Å; A153-F170 HydrophobicContact CB-CD1 4.48Å; A153-F170 HydrophobicContact CB-CE1 3.88Å; A153-F170 HydrophobicContact CB-CZ 4.17Å
154	M	88.8	Confident	88.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	155.4	165.7	60	173	-87.9	0	0	111.8	T31 F138 F141 H142 A145 T156 Q218 T219 L220	T31-M154 CarbonylContact O-C 3.52Å; T31-M154 VanDerWaalsContact O-CA 3.23Å; T31-M154 WeakPolarHBondContact O-CA 3.41Å; F138-M154 HydrophobicContact CD1-CE 4.31Å; F138-M154 HydrophobicContact CE1-CE 4.27Å; F141-M154 HydrophobicContact CD1-CE 3.86Å; F141-M154 HydrophobicContact CD1-SD 4.08Å; F141-M154 HydrophobicContact CE1-CB 4.28Å; F141-M154 HydrophobicContact CE1-CE 3.87Å; F141-M154 HydrophobicContact CE1-SD 4.15Å; H142-M154 HydrophobicContact CB-SD 3.66Å; A145-M154 HydrophobicContact CB-CB 4.39Å; M154-T156 HydrophobicContact CE-CG2 3.41Å; M154-T156 VanDerWaalsContact CE-CG2 3.41Å; M154-Q218 WeakPolarHBondContact CG-O 3.44Å; M154-Q218 PolarHBondContact N-O 3.05Å; M154-T219 HydrophobicContact CE-CG2 4.2Å; M154-T219 HydrophobicContact CG-CG2 4.33Å; M154-T219 WeakPolarHBondContact CG-OG1 3.28Å; M154-T219 CarbonylContact O-C 3.58Å; M154-T219 VanDerWaalsContact O-CA 3.28Å; M154-T219 WeakPolarHBondContact O-CA 3.09Å; M154-L220 PolarHBondContact O-N 2.96Å
155	A	86.7	Confident	88.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.7	172.6	0	0	0	0	0	111	L30 T31 V32 S33 T48 L220 P222	L30-A155 HydrophobicContact CD1-CB 4.01Å; L30-A155 HydrophobicContact CD2-CB 4.28Å; L30-A155 HydrophobicContact CG-CB 4.27Å; T31-A155 PolarHBondContact O-N 2.77Å; V32-A155 HydrophobicContact CG2-CB 4.01Å; S33-A155 WeakPolarHBondContact CB-O 3.42Å; S33-A155 PolarHBondContact N-O 3.33Å; T48-A155 HydrophobicContact CG2-CB 3.94Å; A155-L220 WeakPolarHBondContact CA-O 3.47Å; A155-L220 HydrophobicContact CB-CB 4.12Å; A155-P222 HydrophobicContact CB-CG 4.32Å
156	T	88.3	Confident	87.4	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	21%	0.211	C	C	.	.			trans	-136.8	147.8	175.9	71.9	0	0	0	0	112.2	F138 M154 H158 T219 L220 F221	F138-T156 HydrophobicContact CZ-CG2 4.33Å; M154-T156 HydrophobicContact CE-CG2 3.41Å; M154-T156 VanDerWaalsContact CE-CG2 3.41Å; T156-H158 WeakPolarHBondContact CB-ND1 3.46Å; T156-H158 PolarHBondContact O-N 3.31Å; T156-H158 PolarHBondContact OG1-ND1 3.37Å; T156-T219 HydrophobicContact CG2-CG2 4.38Å; T156-L220 PolarHBondContact N-O 3.44Å; T156-L220 VanDerWaalsContact N-O 3.15Å; T156-F221 WeakPolarHBondContact OG1-CD1 3.49Å; T156-F221 WeakPolarHBondContact OG1-CE1 3.4Å
157	G	86.1	Confident	86.5	Confident	2 Å²	2	42.1 Å²	42.1	2%	0.021	23%	0.228	C	C	.	.			trans	-74	35.6	173.1	0	0	0	0	0	114.5	A44 T48	A44-G157 WeakPolarHBondContact CB-O 3.4Å; T48-G157 WeakPolarHBondContact OG1-CA 3.4Å
158	H	89.6	Confident	85.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.			trans	-85.4	141.4	173.1	-69.6	99.9	0	0	0	111.4	R41 T156 A160 Q204 L208 F221	R41-H158 PolarHBondContact NH1-CD2 2.88Å; R41-H158 PolarHBondContact NH1-NE2 3.25Å; R41-H158 VanDerWaalsContact NH1-NE2 3.18Å; T156-H158 WeakPolarHBondContact CB-ND1 3.46Å; T156-H158 PolarHBondContact O-N 3.31Å; T156-H158 PolarHBondContact OG1-ND1 3.37Å; H158-A160 VanDerWaalsContact C-N 3.35Å; H158-A160 PolarHBondContact O-N 2.87Å; H158-A160 VanDerWaalsContact O-N 3.11Å; H158-Q204 VanDerWaalsContact CA-OE1 3.24Å; H158-Q204 PolarHBondContact CD2-OE1 3.38Å; H158-L208 HydrophobicContact CB-CD1 4.03Å; H158-F221 HydrophobicContact CB-CD1 3.89Å; H158-F221 HydrophobicContact CB-CE1 3.95Å
159	Y	91.6	Very high	84.7	Confident	7 Å²	7	36 Å²	36	3%	0.027	19%	0.193	C	C	.	.	S	Bend	trans	-84.6	80.3	174	-72.4	-105.9	0	0	0	109.1	D199 K202 D203 Q204 L223 L226 K228 V231	Y159-D199 HydrophobicContact CD1-CB 4.03Å; Y159-D199 HydrophobicContact CE1-CB 4.41Å; Y159-K202 WeakPolarHBondContact CB-O 3.44Å; Y159-K202 HydrophobicContact CD1-CB 3.96Å; Y159-K202 HydrophobicContact CD2-CB 4.4Å; Y159-K202 HydrophobicContact CE1-CB 4.34Å; Y159-K202 HydrophobicContact CG-CB 3.98Å; Y159-D203 WeakPolarHBondContact O-CA 3.32Å; Y159-Q204 VanDerWaalsContact N-OE1 3.13Å; Y159-Q204 PolarHBondContact O-N 3.25Å; Y159-L223 HydrophobicContact CD2-CD1 4.35Å; Y159-L223 HydrophobicContact CE1-CB 4.41Å; Y159-L223 HydrophobicContact CE2-CD1 3.71Å; Y159-L226 WeakPolarHBondContact CE1-O 3.3Å; Y159-K228 WeakPolarHBondContact OH-CD 3.45Å; Y159-V231 WeakPolarHBondContact OH-CG2 3.37Å
160	A	93.7	Very high	83.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	166.8	177.2	0	0	0	0	0	109.6	H158 L194 T205 L208 F221 A224	H158-A160 VanDerWaalsContact C-N 3.35Å; H158-A160 PolarHBondContact O-N 2.87Å; H158-A160 VanDerWaalsContact O-N 3.11Å; A160-L194 HydrophobicContact CB-CD1 4.09Å; A160-T205 HydrophobicContact CB-CG2 4.08Å; A160-L208 HydrophobicContact CB-CD1 3.66Å; A160-F221 HydrophobicContact CB-CD1 4.42Å; A160-F221 HydrophobicContact CB-CD2 4.18Å; A160-F221 HydrophobicContact CB-CE2 4.31Å; A160-F221 HydrophobicContact CB-CG 4.25Å; A160-F221 HydrophobicContact CB-CZ 4.49Å; A160-F221 WeakPolarHBondContact O-CB 3.39Å; A160-A224 VanDerWaalsContact O-CA 3.3Å; A160-A224 WeakPolarHBondContact O-CA 3.44Å; A160-A224 WeakPolarHBondContact O-CB 3.46Å
161	R	93.6	Very high	82.5	Confident	88 Å²	88	40.1 Å²	40.1	33%	0.332	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	155.5	173.4	-77.9	-174.6	-65.9	156.7	2.6	109.7	C195 K196 A224 D406	R161-C195 HydrophobicContact CB-CB 3.82Å; R161-C195 PolarHBondContact N-O 3.46Å; R161-C195 PolarHBondContact O-N 3.18Å; R161-K196 PolarHBondContact NE-O 3.36Å; R161-K196 PolarHBondContact NH2-O 2.89Å; R161-A224 HydrophobicContact CG-CB 3.59Å; R161-D406 IonicContact NH2-OD2 3.47Å; R161-D406 PolarHBondContact NH2-OD2 3.16Å
162	T	92.9	Very high	81.3	Confident	27 Å²	27	41.9 Å²	41.9	17%	0.166	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	174.1	159.8	62.7	0	0	0	0	109.2	Q164 V192 K193 L216 F221	T162-Q164 VanDerWaalsContact C-N 3.28Å; T162-Q164 PolarHBondContact OG1-N 2.71Å; T162-Q164 PolarHBondContact OG1-O 3.16Å; T162-Q164 VanDerWaalsContact OG1-O 3.1Å; T162-V192 HydrophobicContact CG2-CG1 4.28Å; T162-K193 CarbonylContact C-O 3.04Å; T162-K193 VanDerWaalsContact CA-O 3.24Å; T162-K193 WeakPolarHBondContact CA-O 3.45Å; T162-L216 HydrophobicContact CG2-CD1 3.66Å; T162-F221 HydrophobicContact CG2-CD2 3.81Å; T162-F221 HydrophobicContact CG2-CE2 3.82Å
163	S	90.6	Very high	79.8	Confident	61 Å²	61	46.2 Å²	46.2	43%	0.427	23%	0.228	S	C	.	.	S	Bend	trans	-87.5	5.7	163.8	61.3	0	0	0	0	113.7	K193	S163-K193 PolarHBondContact N-O 3.18Å; S163-K193 PolarHBondContact OG-N 2.67Å
164	Q	84.9	Confident	77.9	Confident	30 Å²	30	50.9 Å²	50.9	14%	0.14	25%	0.249	C	C	.	.	S	Bend	trans	-100.5	146.5	178.5	-63.5	-159.5	-80.1	0	0	109.6	T162 E168 V169 Q172 V192	T162-Q164 VanDerWaalsContact C-N 3.28Å; T162-Q164 PolarHBondContact OG1-N 2.71Å; T162-Q164 PolarHBondContact OG1-O 3.16Å; T162-Q164 VanDerWaalsContact OG1-O 3.1Å; Q164-E168 WeakPolarHBondContact CA-OE2 3.41Å; Q164-E168 HydrophobicContact CB-CB 4.22Å; Q164-E168 WeakPolarHBondContact CB-OE2 3.45Å; Q164-E168 WeakPolarHBondContact CG-OE2 3.26Å; Q164-E168 PolarHBondContact NE2-OE2 3.03Å; Q164-V169 HydrophobicContact CB-CG2 4.43Å; Q164-Q172 VanDerWaalsContact OE1-NE2 3.09Å; Q164-V192 HydrophobicContact CG-CB 4.35Å; Q164-V192 HydrophobicContact CG-CG1 3.93Å; Q164-V192 HydrophobicContact CG-CG2 3.57Å
165	E	79	Confident	76	Confident	141 Å²	141	55.7 Å²	55.7	66%	0.659	28%	0.279	S	S	*	.			trans	-75.7	152.9	163.6	-59.2	-168.6	172.8	0	0	109.9	E167 E168	E165-E167 PolarHBondContact O-N 3.19Å; E165-E167 VanDerWaalsContact O-N 3.07Å; E165-E168 HydrophobicContact CB-CG 4.4Å; E165-E168 WeakPolarHBondContact O-CB 3.5Å; E165-E168 PolarHBondContact O-N 2.88Å
166	D	71.5	Confident	74.1	Confident	65 Å²	65	60.7 Å²	60.7	35%	0.348	31%	0.309	S	S	.	.	H	α-helix	trans	-55.5	-31.9	-175.6	-74.1	-3.3	0	0	0	112.1	V169 F170 L220	D166-V169 PolarHBondContact O-N 3.19Å; D166-F170 WeakPolarHBondContact O-CD2 3.43Å; D166-F170 WeakPolarHBondContact O-CE2 3.31Å; D166-L220 HydrophobicContact CB-CD2 4.05Å
167	E	69	Low	72	Confident	89 Å²	89	68.4 Å²	68.4	42%	0.416	34%	0.338	S	S	.	.	H	α-helix	trans	-68.7	-36.1	178	-48.2	-161.8	167	0	0	113	M58 E165 V169 F170 Q171	M58-E167 HydrophobicContact CE-CB 4.22Å; M58-E167 HydrophobicContact CE-CG 3.67Å; M58-E167 WeakPolarHBondContact CE-OE1 3.36Å; E165-E167 PolarHBondContact O-N 3.19Å; E165-E167 VanDerWaalsContact O-N 3.07Å; E167-V169 PolarHBondContact O-N 3.22Å; E167-F170 PolarHBondContact O-N 2.69Å; E167-F170 VanDerWaalsContact O-N 3.17Å; E167-Q171 WeakPolarHBondContact O-CG 3.32Å; E167-Q171 PolarHBondContact O-N 3.37Å
168	E	72	Confident	70.1	Confident	84 Å²	84	71.5 Å²	71.5	39%	0.393	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-23.9	179.9	-61.7	-173.4	169.7	0	0	112.5	Q164 E165 F170 Q172	Q164-E168 WeakPolarHBondContact CA-OE2 3.41Å; Q164-E168 HydrophobicContact CB-CB 4.22Å; Q164-E168 WeakPolarHBondContact CB-OE2 3.45Å; Q164-E168 WeakPolarHBondContact CG-OE2 3.26Å; Q164-E168 PolarHBondContact NE2-OE2 3.03Å; E165-E168 HydrophobicContact CB-CG 4.4Å; E165-E168 WeakPolarHBondContact O-CB 3.5Å; E165-E168 PolarHBondContact O-N 2.88Å; E168-F170 VanDerWaalsContact C-N 3.3Å; E168-Q172 WeakPolarHBondContact O-CG 3.46Å; E168-Q172 PolarHBondContact O-NE2 3.11Å
169	V	70.5	Confident	68.1	Low	3 Å²	3	78.7 Å²	78.7	2%	0.018	40%	0.402	C	S	.	.	H	α-helix	trans	-65.2	-37.1	176.3	178.3	0	0	0	0	110.7	A153 Q164 D166 E167 L220	A153-V169 HydrophobicContact CB-CG1 3.73Å; Q164-V169 HydrophobicContact CB-CG2 4.43Å; D166-V169 PolarHBondContact O-N 3.19Å; E167-V169 PolarHBondContact O-N 3.22Å; V169-L220 HydrophobicContact CB-CD2 4Å; V169-L220 HydrophobicContact CG1-CD2 4.19Å; V169-L220 HydrophobicContact CG1-CG 4.47Å; V169-L220 HydrophobicContact CG2-CD2 3.75Å
170	F	66.8	Low	66.1	Low	28 Å²	28	82.7 Å²	82.7	12%	0.123	43%	0.427	C	S	.	.	H	α-helix	trans	-88.3	-18.4	-177.8	-61.5	-81.6	0	0	0	114.5	L28 L30 Y60 D152 A153 D166 E167 E168 Q172 L220	L28-F170 HydrophobicContact CB-CD1 3.87Å; L28-F170 HydrophobicContact CB-CE1 4.01Å; L28-F170 HydrophobicContact CB-CG 4.49Å; L28-F170 HydrophobicContact CD1-CB 3.89Å; L28-F170 HydrophobicContact CD1-CD1 3.97Å; L28-F170 HydrophobicContact CD1-CD2 4.17Å; L28-F170 HydrophobicContact CD1-CG 3.74Å; L28-F170 HydrophobicContact CD2-CB 3.94Å; L28-F170 HydrophobicContact CD2-CD1 3.94Å; L28-F170 HydrophobicContact CD2-CG 4.18Å; L28-F170 HydrophobicContact CG-CB 4.49Å; L28-F170 HydrophobicContact CG-CD1 4.13Å; L28-F170 HydrophobicContact CG-CG 4.35Å; L30-F170 HydrophobicContact CD1-CZ 4.22Å; Y60-F170 HydrophobicContact CD1-CE1 4.11Å; Y60-F170 HydrophobicContact CD1-CE2 4.07Å; Y60-F170 AromaticContact CD1-CZ 3.62Å; Y60-F170 HydrophobicContact CD1-CZ 3.62Å; Y60-F170 AromaticContact CE1-CD2 3.88Å; Y60-F170 HydrophobicContact CE1-CD2 3.88Å; Y60-F170 AromaticContact CE1-CE1 3.97Å; Y60-F170 HydrophobicContact CE1-CE1 3.97Å; Y60-F170 AromaticContact CE1-CE2 3.17Å; Y60-F170 HydrophobicContact CE1-CE2 3.17Å; Y60-F170 AromaticContact CE1-CZ 3.21Å; Y60-F170 HydrophobicContact CE1-CZ 3.21Å; Y60-F170 AromaticContact CZ-CE2 3.55Å; Y60-F170 AromaticContact CZ-CZ 3.87Å; Y60-F170 WeakPolarHBondContact OH-CE2 3.04Å; D152-F170 HydrophobicContact CB-CD1 3.86Å; D152-F170 HydrophobicContact CB-CE1 4.26Å; A153-F170 HydrophobicContact CB-CD1 4.48Å; A153-F170 HydrophobicContact CB-CE1 3.88Å; A153-F170 HydrophobicContact CB-CZ 4.17Å; D166-F170 WeakPolarHBondContact O-CD2 3.43Å; D166-F170 WeakPolarHBondContact O-CE2 3.31Å; E167-F170 PolarHBondContact O-N 2.69Å; E167-F170 VanDerWaalsContact O-N 3.17Å; E168-F170 VanDerWaalsContact C-N 3.3Å; F170-Q172 PolarHBondContact O-N 3.34Å; F170-L220 HydrophobicContact CE2-CD1 3.87Å; F170-L220 HydrophobicContact CZ-CD1 3.8Å
171	Q	62.3	Low	63.9	Low	142 Å²	142	91.3 Å²	91.3	66%	0.664	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.2	176.9	-67.2	176.3	23.8	0	0	113.2	E167 L173	E167-Q171 WeakPolarHBondContact O-CG 3.32Å; E167-Q171 PolarHBondContact O-N 3.37Å; Q171-L173 PolarHBondContact O-N 3.47Å
172	Q	59.5	Low	61.7	Low	42 Å²	42	95.5 Å²	95.5	20%	0.196	49%	0.494	C	S	.	.			trans	-80.5	103.9	-177.1	-73	172.4	74.6	0	0	111.6	Q164 E168 F170 H174 R217	Q164-Q172 VanDerWaalsContact OE1-NE2 3.09Å; E168-Q172 WeakPolarHBondContact O-CG 3.46Å; E168-Q172 PolarHBondContact O-NE2 3.11Å; F170-Q172 PolarHBondContact O-N 3.34Å; Q172-H174 PolarHBondContact O-N 3.18Å; Q172-R217 PolarHBondContact NE2-O 3.42Å
173	L	50.6	Low	59.5	Low	160 Å²	160	100.9 Å²	100.9	84%	0.838	51%	0.511	S	S	*	.			trans	-53.9	131.7	168.8	-72.8	169.4	0	0	0	110.6	Q171 T175	Q171-L173 PolarHBondContact O-N 3.47Å; L173-T175 VanDerWaalsContact C-N 3.3Å; L173-T175 PolarHBondContact O-N 3.19Å
174	H	48.6	Very low	57.2	Low	97 Å²	97	102.7 Å²	102.7	45%	0.449	52%	0.516	S	S	.	.			trans	-73.7	80	-178.3	-166.8	100.4	0	0	0	111.1	I146 H147 Q172 T176 Q218	I146-H174 VanDerWaalsContact CG2-CE1 3.47Å; I146-H174 WeakPolarHBondContact CG2-CE1 3.3Å; H147-H174 AromaticContact CE1-CE1 3.69Å; H147-H174 AromaticContact CE1-NE2 3.6Å; Q172-H174 PolarHBondContact O-N 3.18Å; H174-T176 PolarHBondContact O-N 3.38Å; H174-Q218 PolarHBondContact ND1-NE2 3.39Å
175	T	48.4	Very low	55.3	Low	102 Å²	102	112.1 Å²	112.1	63%	0.626	55%	0.55	S	S	*	.			trans	-84.3	103	171.9	-44.3	0	0	0	0	109.3	L173 R177	L173-T175 VanDerWaalsContact C-N 3.3Å; L173-T175 PolarHBondContact O-N 3.19Å; T175-R177 PolarHBondContact O-N 3Å
176	T	46	Very low	53.6	Low	105 Å²	105	113.1 Å²	113.1	64%	0.644	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-57.5	127.3	166	44.7	0	0	0	0	109.3	H174	H174-T176 PolarHBondContact O-N 3.38Å
177	R	45.5	Very low	52.5	Low	163 Å²	163	115.3 Å²	115.3	62%	0.615	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-48.5	129.6	179.4	-84.6	-172.6	-174.6	177.3	6.4	111.2	T175 T179 D214	T175-R177 PolarHBondContact O-N 3Å; R177-T179 PolarHBondContact O-N 3.26Å; R177-D214 IonicContact CZ-OD1 3.36Å; R177-D214 IonicContact CZ-OD2 2.8Å; R177-D214 IonicContact NE-OD1 3.7Å; R177-D214 IonicContact NE-OD2 2.75Å; R177-D214 IonicContact NH2-OD1 3.64Å; R177-D214 PolarHBondContact NH2-OD1 3.32Å; R177-D214 IonicContact NH2-OD2 2.91Å; R177-D214 PolarHBondContact NH2-OD2 2.95Å; R177-D214 VanDerWaalsContact NH2-OD2 3.09Å
178	P	44.7	Very low	51.6	Low	68 Å²	68	114.6 Å²	114.6	44%	0.442	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-54.5	130.3	163.6	-23.7	34.1	0	0	0	109.9	T180	P178-T180 HydrophobicContact CB-CG2 4.48Å; P178-T180 PolarHBondContact O-N 2.88Å; P178-T180 VanDerWaalsContact O-N 3.15Å
179	T	48.3	Very low	50.8	Low	150 Å²	150	120.9 Å²	120.9	92%	0.92	58%	0.579	S	S	*	*			trans	-78.6	16.7	175.7	40.8	0	0	0	0	112.9	R177	R177-T179 PolarHBondContact O-N 3.26Å
180	T	48.8	Very low	51	Low	91 Å²	91	127.5 Å²	127.5	56%	0.558	61%	0.614	S	S	*	*			trans	-74	138.3	-178.4	48.1	0	0	0	0	111.8	P178 F182	P178-T180 HydrophobicContact CB-CG2 4.48Å; P178-T180 PolarHBondContact O-N 2.88Å; P178-T180 VanDerWaalsContact O-N 3.15Å; T180-F182 PolarHBondContact O-N 2.85Å; T180-F182 VanDerWaalsContact O-N 3.16Å; T180-F182 PolarHBondContact OG1-O 2.99Å
181	L	49.2	Very low	51.9	Low	181 Å²	181	128.5 Å²	128.5	95%	0.948	62%	0.624	S	S	*	*	S	Bend	trans	-60	-24.1	174.9	-73.3	167.4	0	0	0	113.1	R183	L181-R183 PolarHBondContact O-N 3.24Å
182	F	46.2	Very low	53.4	Low	177 Å²	177	122 Å²	122	78%	0.776	59%	0.594	S	S	*	*	S	Bend	trans	-85	101.4	169.6	-64.2	-82.1	0	0	0	109.1	T180 D184	T180-F182 PolarHBondContact O-N 2.85Å; T180-F182 VanDerWaalsContact O-N 3.16Å; T180-F182 PolarHBondContact OG1-O 2.99Å; F182-D184 PolarHBondContact O-N 3.36Å; F182-D184 VanDerWaalsContact O-N 3.12Å
183	R	47.4	Very low	55.1	Low	139 Å²	139	124 Å²	124	53%	0.525	60%	0.602	S	S	.	*			trans	-60.4	107.7	162.9	-177.1	-178.1	-168.9	-171.1	2.3	107.2	L181 R185 D347	L181-R183 PolarHBondContact O-N 3.24Å; R183-R185 PolarHBondContact O-N 3.08Å; R183-D347 IonicContact CZ-OD1 2.93Å; R183-D347 IonicContact CZ-OD2 2.94Å; R183-D347 IonicContact NH1-OD1 3.99Å; R183-D347 PolarHBondContact NH1-OD1 2.94Å; R183-D347 IonicContact NH1-OD2 3.76Å; R183-D347 PolarHBondContact NH1-OD2 3Å; R183-D347 IonicContact NH2-OD1 3.92Å; R183-D347 PolarHBondContact NH2-OD1 3.09Å; R183-D347 IonicContact NH2-OD2 2.99Å; R183-D347 PolarHBondContact NH2-OD2 3.07Å
184	D	42.5	Very low	57.3	Low	99 Å²	99	116.4 Å²	116.4	53%	0.529	56%	0.562	S	S	.	*			trans	-62.9	112.4	176.6	-158.9	-28.5	0	0	0	108.2	F182 F186 E187	F182-D184 PolarHBondContact O-N 3.36Å; F182-D184 VanDerWaalsContact O-N 3.12Å; D184-F186 PolarHBondContact O-N 3.36Å; D184-E187 HydrophobicContact CB-CG 4.36Å; D184-E187 PolarHBondContact O-N 2.85Å
185	R	45.6	Very low	59.6	Low	229 Å²	229	112.7 Å²	112.7	86%	0.864	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-5	-164.5	-153.6	-177.8	-67	-167.8	0.4	111.9	R183	R183-R185 PolarHBondContact O-N 3.08Å
186	F	42.4	Very low	61.9	Low	162 Å²	162	108.9 Å²	108.9	71%	0.711	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-11.5	-175.1	-64	-80	0	0	0	114.9	D184 R189	D184-F186 PolarHBondContact O-N 3.36Å; F186-R189 WeakPolarHBondContact O-CG 3.22Å
187	E	47.3	Very low	64	Low	111 Å²	111	104 Å²	104	52%	0.519	49%	0.491	S	S	.	.	S	Bend	trans	-80.2	-14.7	-173.6	-75.8	-163.6	137.8	0	0	115.4	D184 R189	D184-E187 HydrophobicContact CB-CG 4.36Å; D184-E187 PolarHBondContact O-N 2.85Å; E187-R189 VanDerWaalsContact C-N 3.33Å; E187-R189 PolarHBondContact O-N 3.22Å
188	I	50.8	Low	66.2	Low	74 Å²	74	98.9 Å²	98.9	38%	0.379	48%	0.484	S	S	.	.			trans	-91.9	67.6	174.6	-49.5	179.8	0	0	0	109.4	N190 P191	I188-N190 VanDerWaalsContact C-N 3.32Å; I188-N190 PolarHBondContact O-N 2.75Å; I188-P191 HydrophobicContact CG2-CB 4.45Å
189	R	56	Low	68.4	Low	215 Å²	215	96.8 Å²	96.8	81%	0.811	47%	0.469	S	S	*	.	S	Bend	trans	-71.3	-17.4	-175.6	-87.9	-162.9	174.1	-158.6	-1.6	115.9	F186 E187	F186-R189 WeakPolarHBondContact O-CG 3.22Å; E187-R189 VanDerWaalsContact C-N 3.33Å; E187-R189 PolarHBondContact O-N 3.22Å
190	N	73.8	Confident	70.5	Confident	142 Å²	142	95.2 Å²	95.2	76%	0.759	46%	0.455	S	S	*	.	S	Bend	trans	-163.2	120.1	161.4	-92.8	-35.4	0	0	0	109.2	I188	I188-N190 VanDerWaalsContact C-N 3.32Å; I188-N190 PolarHBondContact O-N 2.75Å
191	P	86.7	Confident	72.4	Confident	50 Å²	50	93.8 Å²	93.8	33%	0.325	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-72.3	133.7	171.4	28.7	-31.9	0	0	0	110.6	I188 Q213 A345	I188-P191 HydrophobicContact CG2-CB 4.45Å; P191-Q213 VanDerWaalsContact CA-NE2 3.31Å; P191-A345 HydrophobicContact CB-CB 3.86Å; P191-A345 HydrophobicContact CG-CB 4.11Å
192	V	92.2	Very high	74.3	Confident	5 Å²	5	87.8 Å²	87.8	3%	0.03	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-65.2	138.4	168	-178	0	0	0	0	109.6	T162 Q164 Q213 L216 R217	T162-V192 HydrophobicContact CG2-CG1 4.28Å; Q164-V192 HydrophobicContact CG-CB 4.35Å; Q164-V192 HydrophobicContact CG-CG1 3.93Å; Q164-V192 HydrophobicContact CG-CG2 3.57Å; V192-Q213 PolarHBondContact O-NE2 3.49Å; V192-Q213 PolarHBondContact O-OE1 2.98Å; V192-L216 HydrophobicContact CB-CD2 4.43Å; V192-L216 HydrophobicContact CB-CG 4.41Å; V192-L216 HydrophobicContact CG1-CD2 4.07Å; V192-L216 HydrophobicContact CG1-CG 3.89Å; V192-R217 HydrophobicContact CB-CG 4.26Å; V192-R217 HydrophobicContact CG2-CG 3.54Å
193	K	95.3	Very high	76.6	Confident	85 Å²	85	79.5 Å²	79.5	37%	0.37	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-99.6	142.1	176.8	-53.7	178.4	164.1	-149.1	0	109.9	T162 S163 E407	T162-K193 CarbonylContact C-O 3.04Å; T162-K193 VanDerWaalsContact CA-O 3.24Å; T162-K193 WeakPolarHBondContact CA-O 3.45Å; S163-K193 PolarHBondContact N-O 3.18Å; S163-K193 PolarHBondContact OG-N 2.67Å; K193-E407 HydrophobicContact CB-CG 4.16Å; K193-E407 HydrophobicContact CD-CG 4.31Å; K193-E407 WeakPolarHBondContact CD-OE2 3.4Å; K193-E407 WeakPolarHBondContact CE-OE2 3.46Å; K193-E407 HydrophobicContact CG-CG 4.44Å; K193-E407 IonicContact NZ-OE1 3.35Å; K193-E407 IonicContact NZ-OE2 2.76Å; K193-E407 PolarHBondContact NZ-OE2 2.57Å
194	L	97.5	Very high	78.8	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.8	166.9	176	64.6	0	0	0	107.9	A160 T205 L208 I211 L216 F221 I344 C408	A160-L194 HydrophobicContact CB-CD1 4.09Å; L194-T205 HydrophobicContact CD1-CG2 4.09Å; L194-T205 HydrophobicContact CD2-CG2 4.45Å; L194-T205 HydrophobicContact CG-CG2 3.93Å; L194-L208 HydrophobicContact CD1-CB 4.33Å; L194-L208 HydrophobicContact CD1-CD1 4.2Å; L194-L208 HydrophobicContact CD2-CB 3.74Å; L194-I211 HydrophobicContact CD2-CD1 4.48Å; L194-L216 HydrophobicContact CB-CD2 4Å; L194-L216 HydrophobicContact CD1-CD1 4.44Å; L194-F221 HydrophobicContact CD1-CE2 4.29Å; L194-I344 HydrophobicContact CB-CG1 4.25Å; L194-I344 HydrophobicContact CB-CG2 4.03Å; L194-I344 HydrophobicContact CD2-CD1 4.06Å; L194-I344 HydrophobicContact CD2-CG1 4.34Å; L194-C408 HydrophobicContact CB-CB 4.21Å; L194-C408 HydrophobicContact CD2-CB 3.96Å; L194-C408 HydrophobicContact CG-CB 3.96Å; L194-C408 WeakPolarHBondContact O-CB 3.19Å; L194-C408 PolarHBondContact O-N 2.85Å
195	C	97.1	Very high	81.4	Confident	19 Å²	19	69.2 Å²	69.2	13%	0.128	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.3	-174.6	-67.7	0	0	0	0	111.4	R161 T205 D406	R161-C195 HydrophobicContact CB-CB 3.82Å; R161-C195 PolarHBondContact N-O 3.46Å; R161-C195 PolarHBondContact O-N 3.18Å; C195-T205 VanDerWaalsContact C-CG2 3.47Å; C195-T205 WeakPolarHBondContact O-CG2 3.2Å; C195-D406 CarbonylContact C-O 3.59Å; C195-D406 VanDerWaalsContact CA-O 3.32Å; C195-D406 WeakPolarHBondContact CA-O 3.4Å
196	K	95.8	Very high	83.8	Confident	22 Å²	22	58.3 Å²	58.3	10%	0.096	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	141	177.3	-63.7	-179.7	-145.7	131.5	0	111.4	R161 L200 Y403 G405 D406	R161-K196 PolarHBondContact NE-O 3.36Å; R161-K196 PolarHBondContact NH2-O 2.89Å; K196-L200 HydrophobicContact CB-CD2 4.24Å; K196-L200 HydrophobicContact CD-CD2 4.03Å; K196-Y403 HydrophobicContact CG-CE1 4.42Å; K196-G405 WeakPolarHBondContact CE-O 3.35Å; K196-G405 PolarHBondContact NZ-O 3.47Å; K196-D406 PolarHBondContact N-O 2.92Å; K196-D406 IonicContact NZ-OD1 2.72Å; K196-D406 PolarHBondContact NZ-OD1 3.49Å
197	G	91.9	Very high	86.4	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.01	27%	0.267	C	S	.	.			trans	-62.3	157	169.6	0	0	0	0	0	112.1	D199	G197-D199 VanDerWaalsContact C-N 3.29Å; G197-D199 PolarHBondContact O-N 2.88Å
198	A	90.8	Very high	88.8	Confident	57 Å²	57	46.5 Å²	46.5	47%	0.471	24%	0.242	S	C	.	.	S	Bend	trans	-63.3	-35	177.6	0	0	0	0	0	112.6	L200 A224	A198-L200 PolarHBondContact O-N 3.47Å; A198-L200 VanDerWaalsContact O-N 3.15Å; A198-A224 WeakPolarHBondContact CB-O 3.41Å; A198-A224 PolarHBondContact N-O 3.02Å
199	D	91.3	Very high	91.1	Very high	23 Å²	23	43 Å²	43	12%	0.123	22%	0.224	C	C	.	.			trans	-78.4	89.6	168.6	-169.1	-33.5	0	0	0	110.1	Y159 G197 A201 K202 D203 T227 K228	Y159-D199 HydrophobicContact CD1-CB 4.03Å; Y159-D199 HydrophobicContact CE1-CB 4.41Å; G197-D199 VanDerWaalsContact C-N 3.29Å; G197-D199 PolarHBondContact O-N 2.88Å; D199-A201 PolarHBondContact O-N 3.5Å; D199-A201 PolarHBondContact OD1-N 2.91Å; D199-K202 HydrophobicContact CB-CB 4.25Å; D199-K202 CarbonylContact O-C 3.58Å; D199-K202 PolarHBondContact O-N 2.74Å; D199-K202 PolarHBondContact OD1-N 3.16Å; D199-D203 PolarHBondContact O-N 2.95Å; D199-T227 WeakPolarHBondContact OD2-CA 3.5Å; D199-K228 PolarHBondContact OD2-N 3.46Å
200	L	91.1	Very high	93.1	Very high	117 Å²	117	33.1 Å²	33.1	61%	0.613	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.4	-179.3	-64.4	179.4	0	0	0	113.6	K196 A198	K196-L200 HydrophobicContact CB-CD2 4.24Å; K196-L200 HydrophobicContact CD-CD2 4.03Å; A198-L200 PolarHBondContact O-N 3.47Å; A198-L200 VanDerWaalsContact O-N 3.15Å
201	A	89.6	Confident	94.1	Very high	62 Å²	62	26.4 Å²	26.4	51%	0.512	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-27.1	176.9	0	0	0	0	0	111.9	D199 Q367	D199-A201 PolarHBondContact O-N 3.5Å; D199-A201 PolarHBondContact OD1-N 2.91Å; A201-Q367 PolarHBondContact O-NE2 2.82Å
202	K	89.9	Confident	94.5	Very high	55 Å²	55	26 Å²	26	24%	0.239	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-3	177.9	-64.2	-74	-179.2	172.7	0	114.1	Y159 D199 Q204 K228 E248	Y159-K202 WeakPolarHBondContact CB-O 3.44Å; Y159-K202 HydrophobicContact CD1-CB 3.96Å; Y159-K202 HydrophobicContact CD2-CB 4.4Å; Y159-K202 HydrophobicContact CE1-CB 4.34Å; Y159-K202 HydrophobicContact CG-CB 3.98Å; D199-K202 HydrophobicContact CB-CB 4.25Å; D199-K202 CarbonylContact O-C 3.58Å; D199-K202 PolarHBondContact O-N 2.74Å; D199-K202 PolarHBondContact OD1-N 3.16Å; K202-Q204 WeakPolarHBondContact O-CG 3.46Å; K202-Q204 PolarHBondContact O-N 3.01Å; K202-K228 HydrophobicContact CG-CB 4.05Å; K202-E248 VanDerWaalsContact NZ-CD 3.29Å; K202-E248 IonicContact NZ-OE1 2.67Å; K202-E248 PolarHBondContact NZ-OE1 2.99Å; K202-E248 IonicContact NZ-OE2 3.3Å; K202-E248 PolarHBondContact NZ-OE2 3.26Å
203	D	93.2	Very high	94.5	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.011	15%	0.151	C	C	.	.			trans	-41.4	124.3	174.4	164.6	46.3	0	0	0	112.5	Y159 D199 T205 R363 H366	Y159-D203 WeakPolarHBondContact O-CA 3.32Å; D199-D203 PolarHBondContact O-N 2.95Å; D203-T205 WeakPolarHBondContact OD1-CB 3.4Å; D203-T205 VanDerWaalsContact OD1-CG2 3.28Å; D203-T205 WeakPolarHBondContact OD1-CG2 3.41Å; D203-T205 PolarHBondContact OD1-N 2.96Å; D203-T205 PolarHBondContact OD1-OG1 3.28Å; D203-T205 PolarHBondContact OD2-OG1 3.2Å; D203-T205 VanDerWaalsContact OD2-OG1 3.12Å; D203-R363 IonicContact OD2-CZ 2.8Å; D203-R363 IonicContact OD2-NH1 2.64Å; D203-R363 PolarHBondContact OD2-NH1 3.47Å; D203-R363 IonicContact OD2-NH2 2.89Å; D203-R363 PolarHBondContact OD2-NH2 2.76Å; D203-H366 PolarHBondContact O-NE2 3Å
204	Q	93.9	Very high	94.3	Very high	22 Å²	22	25.6 Å²	25.6	10%	0.103	15%	0.152	C	C	.	.			trans	-113.5	7	-175.1	-84.6	164.8	-5	0	0	113.6	H158 Y159 K202 F206 F207 L208	H158-Q204 VanDerWaalsContact CA-OE1 3.24Å; H158-Q204 PolarHBondContact CD2-OE1 3.38Å; Y159-Q204 VanDerWaalsContact N-OE1 3.13Å; Y159-Q204 PolarHBondContact O-N 3.25Å; K202-Q204 WeakPolarHBondContact O-CG 3.46Å; K202-Q204 PolarHBondContact O-N 3.01Å; Q204-F206 PolarHBondContact O-N 3.22Å; Q204-F206 VanDerWaalsContact O-N 3.1Å; Q204-F207 HydrophobicContact CG-CD2 4.22Å; Q204-F207 PolarHBondContact O-N 3.12Å; Q204-L208 PolarHBondContact O-N 3.4Å
205	T	97	Very high	94.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-53.2	-33.2	175.8	53.4	0	0	0	0	113.3	A160 L194 C195 D203 F207 L208 S209 R363 Y403 C408	A160-T205 HydrophobicContact CB-CG2 4.08Å; L194-T205 HydrophobicContact CD1-CG2 4.09Å; L194-T205 HydrophobicContact CD2-CG2 4.45Å; L194-T205 HydrophobicContact CG-CG2 3.93Å; C195-T205 VanDerWaalsContact C-CG2 3.47Å; C195-T205 WeakPolarHBondContact O-CG2 3.2Å; D203-T205 WeakPolarHBondContact OD1-CB 3.4Å; D203-T205 VanDerWaalsContact OD1-CG2 3.28Å; D203-T205 WeakPolarHBondContact OD1-CG2 3.41Å; D203-T205 PolarHBondContact OD1-N 2.96Å; D203-T205 PolarHBondContact OD1-OG1 3.28Å; D203-T205 PolarHBondContact OD2-OG1 3.2Å; D203-T205 VanDerWaalsContact OD2-OG1 3.12Å; T205-F207 VanDerWaalsContact C-N 3.31Å; T205-F207 PolarHBondContact O-N 2.76Å; T205-L208 CarbonylContact O-C 3.49Å; T205-L208 PolarHBondContact O-N 2.88Å; T205-S209 PolarHBondContact O-N 3.1Å; T205-R363 PolarHBondContact OG1-NH2 3.01Å; T205-Y403 WeakPolarHBondContact OG1-CE1 3.07Å; T205-Y403 PolarHBondContact OG1-OH 2.58Å; T205-Y403 VanDerWaalsContact OG1-OH 3.1Å; T205-C408 HydrophobicContact CG2-CB 4.39Å
206	F	97.4	Very high	93.9	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-51.9	-47.9	173.8	179.7	-91.4	0	0	0	112.4	I130 Q204 L208 S209 R363 F364 H366 V401 Y403	I130-F206 HydrophobicContact CD1-CD1 4.44Å; I130-F206 HydrophobicContact CD1-CE1 3.95Å; I130-F206 HydrophobicContact CD1-CZ 4.34Å; Q204-F206 PolarHBondContact O-N 3.22Å; Q204-F206 VanDerWaalsContact O-N 3.1Å; F206-L208 VanDerWaalsContact C-N 3.31Å; F206-L208 PolarHBondContact O-N 2.68Å; F206-S209 WeakPolarHBondContact O-CB 3.48Å; F206-S209 PolarHBondContact O-OG 2.97Å; F206-R363 HydrophobicContact CD2-CG 4.17Å; F206-F364 WeakPolarHBondContact CZ-O 3.38Å; F206-H366 HydrophobicContact CD1-CB 3.96Å; F206-H366 HydrophobicContact CE1-CB 4.29Å; F206-H366 HydrophobicContact CG-CB 4.39Å; F206-V401 HydrophobicContact CD2-CB 4.06Å; F206-V401 HydrophobicContact CD2-CG2 3.44Å; F206-V401 VanDerWaalsContact CD2-CG2 3.44Å; F206-V401 HydrophobicContact CE2-CB 4.3Å; F206-V401 HydrophobicContact CE2-CG2 3.44Å; F206-V401 VanDerWaalsContact CE2-CG2 3.44Å; F206-V401 HydrophobicContact CG-CG2 4.24Å; F206-V401 HydrophobicContact CZ-CG2 4.24Å; F206-Y403 WeakPolarHBondContact CA-OH 3.45Å; F206-Y403 PolarHBondContact N-OH 3.44Å
207	F	96.4	Very high	93.7	Very high	24 Å²	24	27.8 Å²	27.8	11%	0.105	16%	0.156	C	C	.	.	H	α-helix	trans	-77.4	-17.4	179.4	-60.6	-74.7	0	0	0	113.3	D129 I130 N133 Q204 T205 H366	D129-F207 HydrophobicContact CB-CD1 3.68Å; D129-F207 HydrophobicContact CB-CE1 3.95Å; I130-F207 HydrophobicContact CG1-CD1 4.33Å; N133-F207 WeakPolarHBondContact ND2-CB 3.38Å; N133-F207 PolarHBondContact ND2-O 3.06Å; Q204-F207 HydrophobicContact CG-CD2 4.22Å; Q204-F207 PolarHBondContact O-N 3.12Å; T205-F207 VanDerWaalsContact C-N 3.31Å; T205-F207 PolarHBondContact O-N 2.76Å; F207-H366 HydrophobicContact CE2-CB 3.95Å; F207-H366 AromaticContact CE2-CD2 3.55Å; F207-H366 AromaticContact CE2-CE1 3.84Å; F207-H366 AromaticContact CE2-CG 3.41Å; F207-H366 VanDerWaalsContact CE2-CG 3.41Å; F207-H366 AromaticContact CE2-ND1 3.6Å; F207-H366 AromaticContact CE2-NE2 3.81Å; F207-H366 HydrophobicContact CZ-CB 3.75Å; F207-H366 AromaticContact CZ-CG 3.71Å; F207-H366 AromaticContact CZ-ND1 3.97Å
208	L	97.3	Very high	93.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-95.7	-2.1	179	-62.9	178.7	0	0	0	112.8	N133 F138 H158 A160 L194 Q204 T205 F206 Q210 I211 F221	N133-L208 HydrophobicContact CB-CD2 4.31Å; F138-L208 HydrophobicContact CD2-CD2 4.25Å; F138-L208 HydrophobicContact CE2-CD2 3.36Å; F138-L208 HydrophobicContact CZ-CD2 3.53Å; H158-L208 HydrophobicContact CB-CD1 4.03Å; A160-L208 HydrophobicContact CB-CD1 3.66Å; L194-L208 HydrophobicContact CD1-CB 4.33Å; L194-L208 HydrophobicContact CD1-CD1 4.2Å; L194-L208 HydrophobicContact CD2-CB 3.74Å; Q204-L208 PolarHBondContact O-N 3.4Å; T205-L208 CarbonylContact O-C 3.49Å; T205-L208 PolarHBondContact O-N 2.88Å; F206-L208 VanDerWaalsContact C-N 3.31Å; F206-L208 PolarHBondContact O-N 2.68Å; L208-Q210 PolarHBondContact O-N 2.95Å; L208-I211 HydrophobicContact CB-CD1 4.28Å; L208-I211 HydrophobicContact CB-CG2 4.41Å; L208-I211 HydrophobicContact CD2-CG2 4.18Å; L208-I211 VanDerWaalsContact O-CG1 3.3Å; L208-I211 WeakPolarHBondContact O-CG1 3.25Å; L208-I211 WeakPolarHBondContact O-CG2 3.24Å; L208-I211 PolarHBondContact O-N 3.35Å; L208-I211 VanDerWaalsContact O-N 3.08Å; L208-F221 HydrophobicContact CD1-CE1 3.83Å; L208-F221 HydrophobicContact CD1-CZ 3.79Å
209	S	98.3	Very high	93.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-3.6	-174	62.5	0	0	0	0	116.5	T205 F206 H342 V401 G410 S411	T205-S209 PolarHBondContact O-N 3.1Å; F206-S209 WeakPolarHBondContact O-CB 3.48Å; F206-S209 PolarHBondContact O-OG 2.97Å; S209-H342 PolarHBondContact O-CD2 2.97Å; S209-V401 VanDerWaalsContact CB-CG1 3.47Å; S209-G410 CarbonylContact O-C 3.54Å; S209-G410 WeakPolarHBondContact O-CA 3.3Å; S209-S411 WeakPolarHBondContact CB-OG 3.44Å; S209-S411 PolarHBondContact O-N 3.1Å; S209-S411 PolarHBondContact O-OG 3.04Å; S209-S411 WeakPolarHBondContact OG-CB 3.5Å; S209-S411 PolarHBondContact OG-OG 3.27Å
210	Q	97.9	Very high	93.4	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.037	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	2.9	179.3	-74.7	-71	-44.5	0	0	114	I130 K134 L208 H342 F399 S411	I130-Q210 HydrophobicContact CG2-CB 3.85Å; I130-Q210 HydrophobicContact CG2-CG 3.36Å; K134-Q210 HydrophobicContact CB-CB 4Å; K134-Q210 HydrophobicContact CD-CB 3.97Å; K134-Q210 HydrophobicContact CG-CB 4.22Å; K134-Q210 WeakPolarHBondContact CG-O 3.44Å; L208-Q210 PolarHBondContact O-N 2.95Å; Q210-H342 PolarHBondContact O-CE1 2.83Å; Q210-H342 PolarHBondContact O-NE2 3.47Å; Q210-F399 HydrophobicContact CG-CD1 4.16Å; Q210-F399 HydrophobicContact CG-CE1 3.89Å; Q210-S411 WeakPolarHBondContact CG-OG 3.48Å; Q210-S411 PolarHBondContact NE2-O 2.87Å; Q210-S411 PolarHBondContact NE2-OG 3.38Å
211	I	96.4	Very high	93.4	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.107	C	C	.	.			trans	-67.4	148.6	179.7	68.7	-173.3	0	0	0	111	N133 F138 L194 L208 L216 H342 I344	N133-I211 HydrophobicContact CB-CG2 4.49Å; F138-I211 HydrophobicContact CB-CB 4.01Å; F138-I211 HydrophobicContact CB-CG2 3.73Å; F138-I211 HydrophobicContact CD1-CB 4.14Å; F138-I211 HydrophobicContact CD1-CD1 4.21Å; F138-I211 HydrophobicContact CD1-CG2 3.85Å; F138-I211 HydrophobicContact CD2-CG2 3.53Å; F138-I211 HydrophobicContact CE1-CD1 4.14Å; F138-I211 HydrophobicContact CE1-CG2 4.31Å; F138-I211 HydrophobicContact CE2-CG2 4.07Å; F138-I211 HydrophobicContact CG-CB 4.02Å; F138-I211 HydrophobicContact CG-CG2 3.43Å; F138-I211 VanDerWaalsContact CG-CG2 3.43Å; F138-I211 HydrophobicContact CZ-CG2 4.43Å; L194-I211 HydrophobicContact CD2-CD1 4.48Å; L208-I211 HydrophobicContact CB-CD1 4.28Å; L208-I211 HydrophobicContact CB-CG2 4.41Å; L208-I211 HydrophobicContact CD2-CG2 4.18Å; L208-I211 VanDerWaalsContact O-CG1 3.3Å; L208-I211 WeakPolarHBondContact O-CG1 3.25Å; L208-I211 WeakPolarHBondContact O-CG2 3.24Å; L208-I211 PolarHBondContact O-N 3.35Å; L208-I211 VanDerWaalsContact O-N 3.08Å; I211-L216 HydrophobicContact CD1-CB 4.03Å; I211-L216 HydrophobicContact CD1-CD1 3.83Å; I211-L216 HydrophobicContact CD1-CD2 4.42Å; I211-L216 HydrophobicContact CD1-CG 4.31Å; I211-L216 HydrophobicContact CG1-CB 4.38Å; I211-H342 PolarHBondContact O-CE1 3.08Å; I211-H342 PolarHBondContact O-NE2 2.91Å; I211-I344 HydrophobicContact CG1-CD1 4.08Å
212	S	94.6	Very high	93.2	Very high	42 Å²	42	18 Å²	18	29%	0.294	9%	0.087	S	C	.	.			trans	-72.1	152.9	176.5	67.7	0	0	0	0	111.1	D214 A215 L216	S212-D214 VanDerWaalsContact C-N 3.27Å; S212-D214 PolarHBondContact O-N 2.89Å; S212-A215 PolarHBondContact O-N 3Å; S212-A215 VanDerWaalsContact OG-CB 3.28Å; S212-A215 WeakPolarHBondContact OG-CB 3.48Å; S212-A215 PolarHBondContact OG-N 3.44Å; S212-L216 WeakPolarHBondContact O-CB 3.41Å; S212-L216 PolarHBondContact O-N 3.21Å
213	Q	92.9	Very high	93	Very high	12 Å²	12	15.3 Å²	15.3	6%	0.056	8%	0.076	C	C	.	.	H	α-helix	trans	-64	-37.1	176.1	-171.8	63.4	-44.3	0	0	111.9	P191 V192 A215 L216 R217 I344	P191-Q213 VanDerWaalsContact CA-NE2 3.31Å; V192-Q213 PolarHBondContact O-NE2 3.49Å; V192-Q213 PolarHBondContact O-OE1 2.98Å; Q213-A215 VanDerWaalsContact C-N 3.33Å; Q213-A215 PolarHBondContact O-N 3.37Å; Q213-L216 PolarHBondContact O-N 2.86Å; Q213-R217 WeakPolarHBondContact O-CB 3.4Å; Q213-R217 VanDerWaalsContact O-CG 3.25Å; Q213-R217 WeakPolarHBondContact O-CG 3.34Å; Q213-R217 PolarHBondContact O-N 3.46Å; Q213-I344 WeakPolarHBondContact CB-O 3.19Å; Q213-I344 VanDerWaalsContact CD-O 3.28Å; Q213-I344 PolarHBondContact OE1-O 2.78Å
214	D	90.7	Very high	92.8	Very high	70 Å²	70	16.4 Å²	16.4	37%	0.374	9%	0.085	S	C	.	.	H	α-helix	trans	-64.8	-37.6	-179.4	-48.2	-39.9	0	0	0	111.1	R177 S212	R177-D214 IonicContact CZ-OD1 3.36Å; R177-D214 IonicContact CZ-OD2 2.8Å; R177-D214 IonicContact NE-OD1 3.7Å; R177-D214 IonicContact NE-OD2 2.75Å; R177-D214 IonicContact NH2-OD1 3.64Å; R177-D214 PolarHBondContact NH2-OD1 3.32Å; R177-D214 IonicContact NH2-OD2 2.91Å; R177-D214 PolarHBondContact NH2-OD2 2.95Å; R177-D214 VanDerWaalsContact NH2-OD2 3.09Å; S212-D214 VanDerWaalsContact C-N 3.27Å; S212-D214 PolarHBondContact O-N 2.89Å
215	A	91.7	Very high	92.4	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-75.6	-37.4	174.5	0	0	0	0	0	112.9	F138 H142 S212 Q213 R217 Q218 T219	F138-A215 HydrophobicContact CB-CB 3.99Å; F138-A215 HydrophobicContact CD1-CB 4.31Å; F138-A215 WeakPolarHBondContact O-CB 3.45Å; H142-A215 HydrophobicContact CB-CB 4.4Å; S212-A215 PolarHBondContact O-N 3Å; S212-A215 VanDerWaalsContact OG-CB 3.28Å; S212-A215 WeakPolarHBondContact OG-CB 3.48Å; S212-A215 PolarHBondContact OG-N 3.44Å; Q213-A215 VanDerWaalsContact C-N 3.33Å; Q213-A215 PolarHBondContact O-N 3.37Å; A215-R217 VanDerWaalsContact C-N 3.35Å; A215-R217 PolarHBondContact O-N 3.23Å; A215-Q218 CarbonylContact O-C 3.55Å; A215-Q218 PolarHBondContact O-N 2.78Å; A215-T219 WeakPolarHBondContact O-CB 3.2Å; A215-T219 PolarHBondContact O-N 3.34Å; A215-T219 PolarHBondContact O-OG1 3.22Å
216	L	93.6	Very high	92	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-42.3	176.3	179.7	55.9	0	0	0	111.8	T162 V192 L194 I211 S212 Q213 Q218 T219 F221 I344	T162-L216 HydrophobicContact CG2-CD1 3.66Å; V192-L216 HydrophobicContact CB-CD2 4.43Å; V192-L216 HydrophobicContact CB-CG 4.41Å; V192-L216 HydrophobicContact CG1-CD2 4.07Å; V192-L216 HydrophobicContact CG1-CG 3.89Å; L194-L216 HydrophobicContact CB-CD2 4Å; L194-L216 HydrophobicContact CD1-CD1 4.44Å; I211-L216 HydrophobicContact CD1-CB 4.03Å; I211-L216 HydrophobicContact CD1-CD1 3.83Å; I211-L216 HydrophobicContact CD1-CD2 4.42Å; I211-L216 HydrophobicContact CD1-CG 4.31Å; I211-L216 HydrophobicContact CG1-CB 4.38Å; S212-L216 WeakPolarHBondContact O-CB 3.41Å; S212-L216 PolarHBondContact O-N 3.21Å; Q213-L216 PolarHBondContact O-N 2.86Å; L216-Q218 PolarHBondContact O-N 3.47Å; L216-T219 PolarHBondContact O-N 2.88Å; L216-T219 VanDerWaalsContact O-N 3.16Å; L216-F221 HydrophobicContact CD1-CE2 3.83Å; L216-F221 HydrophobicContact CD1-CZ 4.33Å; L216-I344 HydrophobicContact CD2-CG2 3.4Å; L216-I344 VanDerWaalsContact CD2-CG2 3.4Å
217	R	91.4	Very high	91.7	Very high	86 Å²	86	23 Å²	23	33%	0.325	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.9	175.8	-77.6	-179	72.8	162.4	6.1	114.6	Q172 V192 Q213 A215	Q172-R217 PolarHBondContact NE2-O 3.42Å; V192-R217 HydrophobicContact CB-CG 4.26Å; V192-R217 HydrophobicContact CG2-CG 3.54Å; Q213-R217 WeakPolarHBondContact O-CB 3.4Å; Q213-R217 VanDerWaalsContact O-CG 3.25Å; Q213-R217 WeakPolarHBondContact O-CG 3.34Å; Q213-R217 PolarHBondContact O-N 3.46Å; A215-R217 VanDerWaalsContact C-N 3.35Å; A215-R217 PolarHBondContact O-N 3.23Å
218	Q	89.8	Confident	91.2	Very high	27 Å²	27	22.5 Å²	22.5	13%	0.126	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	19.3	-178.8	-71.1	174.4	-21.2	0	0	112	H142 I146 M154 H174 A215 L216	H142-Q218 PolarHBondContact CE1-OE1 2.86Å; H142-Q218 PolarHBondContact NE2-OE1 3.48Å; I146-Q218 HydrophobicContact CD1-CB 4.45Å; M154-Q218 WeakPolarHBondContact CG-O 3.44Å; M154-Q218 PolarHBondContact N-O 3.05Å; H174-Q218 PolarHBondContact ND1-NE2 3.39Å; A215-Q218 CarbonylContact O-C 3.55Å; A215-Q218 PolarHBondContact O-N 2.78Å; L216-Q218 PolarHBondContact O-N 3.47Å
219	T	89.1	Confident	90.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.3	177.3	-57.4	0	0	0	0	113	F138 M154 T156 A215 L216 F221	F138-T219 HydrophobicContact CE1-CG2 3.79Å; F138-T219 HydrophobicContact CZ-CG2 4.44Å; M154-T219 HydrophobicContact CE-CG2 4.2Å; M154-T219 HydrophobicContact CG-CG2 4.33Å; M154-T219 WeakPolarHBondContact CG-OG1 3.28Å; M154-T219 CarbonylContact O-C 3.58Å; M154-T219 VanDerWaalsContact O-CA 3.28Å; M154-T219 WeakPolarHBondContact O-CA 3.09Å; T156-T219 HydrophobicContact CG2-CG2 4.38Å; A215-T219 WeakPolarHBondContact O-CB 3.2Å; A215-T219 PolarHBondContact O-N 3.34Å; A215-T219 PolarHBondContact O-OG1 3.22Å; L216-T219 PolarHBondContact O-N 2.88Å; L216-T219 VanDerWaalsContact O-N 3.16Å; T219-F221 HydrophobicContact CG2-CD1 4.32Å; T219-F221 HydrophobicContact CG2-CE1 3.86Å; T219-F221 HydrophobicContact CG2-CE2 4.47Å; T219-F221 HydrophobicContact CG2-CZ 3.93Å
220	L	88.9	Confident	90.3	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	146.8	164.7	-61.6	177.7	0	0	0	112	L30 M154 A155 T156 D166 V169 F170 P222	L30-L220 HydrophobicContact CD1-CD1 3.86Å; L30-L220 HydrophobicContact CD2-CD1 3.8Å; M154-L220 PolarHBondContact O-N 2.96Å; A155-L220 WeakPolarHBondContact CA-O 3.47Å; A155-L220 HydrophobicContact CB-CB 4.12Å; T156-L220 PolarHBondContact N-O 3.44Å; T156-L220 VanDerWaalsContact N-O 3.15Å; D166-L220 HydrophobicContact CB-CD2 4.05Å; V169-L220 HydrophobicContact CB-CD2 4Å; V169-L220 HydrophobicContact CG1-CD2 4.19Å; V169-L220 HydrophobicContact CG1-CG 4.47Å; V169-L220 HydrophobicContact CG2-CD2 3.75Å; F170-L220 HydrophobicContact CE2-CD1 3.87Å; F170-L220 HydrophobicContact CZ-CD1 3.8Å; L220-P222 HydrophobicContact CB-CG 4.31Å
221	F	90.5	Very high	89.8	Confident	7 Å²	7	32.3 Å²	32.3	3%	0.031	18%	0.179	C	C	.	.			trans	-121.5	77.6	169.9	-61.3	-64	0	0	0	110.8	F138 T156 H158 A160 T162 L194 L208 L216 T219 L223 A224	F138-F221 HydrophobicContact CE1-CE1 4.24Å; F138-F221 HydrophobicContact CE1-CZ 4.05Å; F138-F221 AromaticContact CZ-CE1 3.97Å; F138-F221 HydrophobicContact CZ-CE1 3.97Å; F138-F221 HydrophobicContact CZ-CZ 4.14Å; T156-F221 WeakPolarHBondContact OG1-CD1 3.49Å; T156-F221 WeakPolarHBondContact OG1-CE1 3.4Å; H158-F221 HydrophobicContact CB-CD1 3.89Å; H158-F221 HydrophobicContact CB-CE1 3.95Å; A160-F221 HydrophobicContact CB-CD1 4.42Å; A160-F221 HydrophobicContact CB-CD2 4.18Å; A160-F221 HydrophobicContact CB-CE2 4.31Å; A160-F221 HydrophobicContact CB-CG 4.25Å; A160-F221 HydrophobicContact CB-CZ 4.49Å; A160-F221 WeakPolarHBondContact O-CB 3.39Å; T162-F221 HydrophobicContact CG2-CD2 3.81Å; T162-F221 HydrophobicContact CG2-CE2 3.82Å; L194-F221 HydrophobicContact CD1-CE2 4.29Å; L208-F221 HydrophobicContact CD1-CE1 3.83Å; L208-F221 HydrophobicContact CD1-CZ 3.79Å; L216-F221 HydrophobicContact CD1-CE2 3.83Å; L216-F221 HydrophobicContact CD1-CZ 4.33Å; T219-F221 HydrophobicContact CG2-CD1 4.32Å; T219-F221 HydrophobicContact CG2-CE1 3.86Å; T219-F221 HydrophobicContact CG2-CE2 4.47Å; T219-F221 HydrophobicContact CG2-CZ 3.93Å; F221-L223 PolarHBondContact O-N 3.48Å; F221-A224 WeakPolarHBondContact O-CA 3.24Å; F221-A224 WeakPolarHBondContact O-CB 3.25Å; F221-A224 PolarHBondContact O-N 3.02Å
222	P	86.2	Confident	89.3	Confident	17 Å²	17	35.9 Å²	35.9	11%	0.11	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8	-172.5	-28.4	40.3	0	0	0	115.9	T48 I51 A155 L220	T48-P222 HydrophobicContact CG2-CB 4.39Å; T48-P222 HydrophobicContact CG2-CG 3.88Å; I51-P222 HydrophobicContact CB-CB 4.3Å; I51-P222 HydrophobicContact CD1-CB 4.39Å; I51-P222 WeakPolarHBondContact CD1-O 3.2Å; I51-P222 HydrophobicContact CG2-CB 3.98Å; A155-P222 HydrophobicContact CB-CG 4.32Å; L220-P222 HydrophobicContact CB-CG 4.31Å
223	L	86.8	Confident	89	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	1.9	173.4	-49.2	-172.8	0	0	0	113	A44 V47 I51 Y159 F221 G225 L226 V231	A44-L223 HydrophobicContact CB-CD1 3.53Å; V47-L223 HydrophobicContact CB-CD2 4.28Å; V47-L223 HydrophobicContact CG1-CD2 3.86Å; I51-L223 HydrophobicContact CD1-CD2 4.04Å; Y159-L223 HydrophobicContact CD2-CD1 4.35Å; Y159-L223 HydrophobicContact CE1-CB 4.41Å; Y159-L223 HydrophobicContact CE2-CD1 3.71Å; F221-L223 PolarHBondContact O-N 3.48Å; L223-G225 VanDerWaalsContact C-N 3.3Å; L223-G225 PolarHBondContact O-N 2.83Å; L223-G225 VanDerWaalsContact O-N 3.16Å; L223-L226 HydrophobicContact CD2-CD1 4.24Å; L223-L226 PolarHBondContact O-N 3.39Å; L223-V231 HydrophobicContact CD2-CG2 3.98Å
224	A	87.1	Confident	88.6	Confident	25 Å²	25	40.2 Å²	40.2	21%	0.207	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-37.3	-51.8	178.7	0	0	0	0	0	115.3	A160 R161 A198 F221	A160-A224 VanDerWaalsContact O-CA 3.3Å; A160-A224 WeakPolarHBondContact O-CA 3.44Å; A160-A224 WeakPolarHBondContact O-CB 3.46Å; R161-A224 HydrophobicContact CG-CB 3.59Å; A198-A224 WeakPolarHBondContact CB-O 3.41Å; A198-A224 PolarHBondContact N-O 3.02Å; F221-A224 WeakPolarHBondContact O-CA 3.24Å; F221-A224 WeakPolarHBondContact O-CB 3.25Å; F221-A224 PolarHBondContact O-N 3.02Å
225	G	87.1	Confident	88.3	Confident	56 Å²	56	36.9 Å²	36.9	58%	0.577	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	4.8	-176.1	0	0	0	0	0	114.9	L223	L223-G225 VanDerWaalsContact C-N 3.3Å; L223-G225 PolarHBondContact O-N 2.83Å; L223-G225 VanDerWaalsContact O-N 3.16Å
226	L	88.1	Confident	88.1	Confident	36 Å²	36	38.1 Å²	38.1	19%	0.188	20%	0.201	C	C	.	.			trans	-109.7	142.9	-168.4	-53.7	-174.7	0	0	0	112.3	I51 Y159 L223 F230 V231 M234	I51-L226 HydrophobicContact CD1-CD1 3.5Å; Y159-L226 WeakPolarHBondContact CE1-O 3.3Å; L223-L226 HydrophobicContact CD2-CD1 4.24Å; L223-L226 PolarHBondContact O-N 3.39Å; L226-F230 HydrophobicContact CB-CD1 4.48Å; L226-F230 HydrophobicContact CD1-CD1 4.34Å; L226-F230 HydrophobicContact CD2-CD1 3.84Å; L226-F230 HydrophobicContact CD2-CE1 3.98Å; L226-F230 HydrophobicContact CG-CD1 4.45Å; L226-V231 HydrophobicContact CB-CG2 3.76Å; L226-V231 HydrophobicContact CD1-CG2 4.07Å; L226-M234 HydrophobicContact CD1-SD 3.93Å
227	T	90.3	Very high	87.8	Confident	70 Å²	70	44.5 Å²	44.5	43%	0.429	23%	0.231	S	C	.	.			trans	-83.4	151.9	170	65.6	0	0	0	0	111.1	D199 E229 F230 V231	D199-T227 WeakPolarHBondContact OD2-CA 3.5Å; T227-E229 PolarHBondContact O-N 3.37Å; T227-F230 PolarHBondContact O-N 3.37Å; T227-F230 VanDerWaalsContact O-N 3.08Å; T227-F230 WeakPolarHBondContact OG1-CB 3.26Å; T227-F230 PolarHBondContact OG1-N 3.31Å; T227-V231 WeakPolarHBondContact O-CG2 3.34Å; T227-V231 PolarHBondContact O-N 2.92Å
228	K	86.6	Confident	87.3	Confident	13 Å²	13	42 Å²	42	6%	0.057	23%	0.229	C	C	.	.	H	α-helix	trans	-56.6	-35.8	179	179.8	69.8	-175.6	-145	0	113.3	S40 Y159 D199 K202 V231 K232 E248	S40-K228 PolarHBondContact O-NZ 3.05Å; S40-K228 VanDerWaalsContact O-NZ 3.17Å; Y159-K228 WeakPolarHBondContact OH-CD 3.45Å; D199-K228 PolarHBondContact OD2-N 3.46Å; K202-K228 HydrophobicContact CG-CB 4.05Å; K228-V231 PolarHBondContact O-N 3.18Å; K228-K232 WeakPolarHBondContact O-CG 3.17Å; K228-K232 PolarHBondContact O-N 3.39Å; K228-E248 VanDerWaalsContact CE-OE1 3.22Å; K228-E248 WeakPolarHBondContact CE-OE1 3.47Å; K228-E248 IonicContact NZ-OE1 3.38Å; K228-E248 PolarHBondContact NZ-OE1 3.35Å
229	E	88.2	Confident	87.1	Confident	119 Å²	119	43 Å²	43	56%	0.556	25%	0.246	S	C	*	.	H	α-helix	trans	-71.4	-36.3	178	-58.5	-45.6	117.5	0	0	112.2	T227 K232 K233	T227-E229 PolarHBondContact O-N 3.37Å; E229-K232 PolarHBondContact O-N 3.48Å; E229-K232 IonicContact OE1-NZ 3.6Å; E229-K232 PolarHBondContact OE1-NZ 3.24Å; E229-K232 VanDerWaalsContact OE2-CD 3.26Å; E229-K232 WeakPolarHBondContact OE2-CD 3.24Å; E229-K232 IonicContact OE2-NZ 2.75Å; E229-K232 PolarHBondContact OE2-NZ 3.03Å; E229-K233 PolarHBondContact O-N 2.95Å
230	F	88.5	Confident	86.8	Confident	95 Å²	95	43.1 Å²	43.1	42%	0.417	25%	0.246	S	C	.	.	H	α-helix	trans	-65.9	-42	171.9	-170.1	-100.2	0	0	0	111.6	L226 T227 K232 K233 M234	L226-F230 HydrophobicContact CB-CD1 4.48Å; L226-F230 HydrophobicContact CD1-CD1 4.34Å; L226-F230 HydrophobicContact CD2-CD1 3.84Å; L226-F230 HydrophobicContact CD2-CE1 3.98Å; L226-F230 HydrophobicContact CG-CD1 4.45Å; T227-F230 PolarHBondContact O-N 3.37Å; T227-F230 VanDerWaalsContact O-N 3.08Å; T227-F230 WeakPolarHBondContact OG1-CB 3.26Å; T227-F230 PolarHBondContact OG1-N 3.31Å; F230-K232 VanDerWaalsContact C-N 3.35Å; F230-K232 PolarHBondContact O-N 3.23Å; F230-K233 WeakPolarHBondContact O-CB 3.49Å; F230-K233 PolarHBondContact O-N 3Å; F230-K233 VanDerWaalsContact O-N 3.1Å; F230-M234 HydrophobicContact CD1-CG 4.04Å; F230-M234 HydrophobicContact CD1-SD 3.71Å; F230-M234 HydrophobicContact CE1-CG 3.77Å; F230-M234 HydrophobicContact CE1-SD 3.4Å; F230-M234 WeakPolarHBondContact CE1-SD 3.17Å; F230-M234 HydrophobicContact CZ-CG 4.26Å; F230-M234 HydrophobicContact CZ-SD 4.34Å; F230-M234 WeakPolarHBondContact O-CG 3.38Å; F230-M234 PolarHBondContact O-N 3.45Å
231	V	86.6	Confident	86.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-42.9	173.7	170	0	0	0	0	111.6	T43 V47 Y159 L223 L226 T227 K228 K233 M234 A235	T43-V231 HydrophobicContact CG2-CG1 4.35Å; V47-V231 HydrophobicContact CB-CG1 3.93Å; V47-V231 HydrophobicContact CG1-CG1 4.11Å; V47-V231 HydrophobicContact CG1-CG2 4.38Å; V47-V231 HydrophobicContact CG2-CG1 3.88Å; V47-V231 WeakPolarHBondContact CG2-O 3.45Å; Y159-V231 WeakPolarHBondContact OH-CG2 3.37Å; L223-V231 HydrophobicContact CD2-CG2 3.98Å; L226-V231 HydrophobicContact CB-CG2 3.76Å; L226-V231 HydrophobicContact CD1-CG2 4.07Å; T227-V231 WeakPolarHBondContact O-CG2 3.34Å; T227-V231 PolarHBondContact O-N 2.92Å; K228-V231 PolarHBondContact O-N 3.18Å; V231-K233 VanDerWaalsContact C-N 3.35Å; V231-K233 PolarHBondContact O-N 3.41Å; V231-M234 PolarHBondContact O-N 3.26Å; V231-A235 PolarHBondContact O-N 3.42Å; V231-A235 VanDerWaalsContact O-N 3.11Å
232	K	86.4	Confident	85.9	Confident	76 Å²	76	51 Å²	51	33%	0.33	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-42	172.9	-73.1	166.4	173.5	169.6	0	112.2	K228 E229 F230 A235 A236 L244	K228-K232 WeakPolarHBondContact O-CG 3.17Å; K228-K232 PolarHBondContact O-N 3.39Å; E229-K232 PolarHBondContact O-N 3.48Å; E229-K232 IonicContact OE1-NZ 3.6Å; E229-K232 PolarHBondContact OE1-NZ 3.24Å; E229-K232 VanDerWaalsContact OE2-CD 3.26Å; E229-K232 WeakPolarHBondContact OE2-CD 3.24Å; E229-K232 IonicContact OE2-NZ 2.75Å; E229-K232 PolarHBondContact OE2-NZ 3.03Å; F230-K232 VanDerWaalsContact C-N 3.35Å; F230-K232 PolarHBondContact O-N 3.23Å; K232-A235 PolarHBondContact O-N 3.49Å; K232-A236 PolarHBondContact O-N 2.94Å; K232-L244 HydrophobicContact CB-CD2 3.98Å; K232-L244 HydrophobicContact CG-CD2 3.98Å; K232-L244 WeakPolarHBondContact O-CD1 3.33Å
233	K	88.2	Confident	85.2	Confident	113 Å²	113	50.2 Å²	50.2	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-48.5	177.9	-180	178.9	169.1	179.7	0	111.5	E229 F230 V231 A235 A236 E237	E229-K233 PolarHBondContact O-N 2.95Å; F230-K233 WeakPolarHBondContact O-CB 3.49Å; F230-K233 PolarHBondContact O-N 3Å; F230-K233 VanDerWaalsContact O-N 3.1Å; V231-K233 VanDerWaalsContact C-N 3.35Å; V231-K233 PolarHBondContact O-N 3.41Å; K233-A235 VanDerWaalsContact C-N 3.32Å; K233-A235 PolarHBondContact O-N 3.4Å; K233-A236 WeakPolarHBondContact O-CB 3.26Å; K233-A236 PolarHBondContact O-N 2.85Å; K233-E237 WeakPolarHBondContact CE-OE1 3.4Å; K233-E237 HydrophobicContact CG-CG 4.44Å; K233-E237 IonicContact NZ-OE1 3.09Å; K233-E237 WeakPolarHBondContact O-CG 3.43Å; K233-E237 PolarHBondContact O-N 3.41Å
234	M	85.1	Confident	84.8	Confident	32 Å²	32	52.8 Å²	52.8	16%	0.158	29%	0.291	C	S	.	.	H	α-helix	trans	-57.3	-43.6	176.1	-67	178.9	74.5	0	0	112.3	V47 I51 L226 F230 V231 A236 E237 A238	V47-M234 HydrophobicContact CG1-CB 4.26Å; V47-M234 HydrophobicContact CG1-CE 4.09Å; V47-M234 HydrophobicContact CG1-SD 3.82Å; V47-M234 HydrophobicContact CG2-CB 4.24Å; I51-M234 HydrophobicContact CD1-CE 4.09Å; I51-M234 HydrophobicContact CD1-SD 4.48Å; I51-M234 HydrophobicContact CG1-CE 3.69Å; L226-M234 HydrophobicContact CD1-SD 3.93Å; F230-M234 HydrophobicContact CD1-CG 4.04Å; F230-M234 HydrophobicContact CD1-SD 3.71Å; F230-M234 HydrophobicContact CE1-CG 3.77Å; F230-M234 HydrophobicContact CE1-SD 3.4Å; F230-M234 WeakPolarHBondContact CE1-SD 3.17Å; F230-M234 HydrophobicContact CZ-CG 4.26Å; F230-M234 HydrophobicContact CZ-SD 4.34Å; F230-M234 WeakPolarHBondContact O-CG 3.38Å; F230-M234 PolarHBondContact O-N 3.45Å; V231-M234 PolarHBondContact O-N 3.26Å; M234-A236 VanDerWaalsContact C-N 3.32Å; M234-A236 PolarHBondContact O-N 3.39Å; M234-E237 PolarHBondContact O-N 2.96Å; M234-A238 WeakPolarHBondContact O-CB 3.48Å; M234-A238 PolarHBondContact O-N 3.28Å
235	A	84.1	Confident	84.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65	-34.5	176.6	0	0	0	0	0	112.7	T43 V47 V231 K232 K233 G239 F240 L244	T43-A235 HydrophobicContact CG2-CB 3.78Å; V47-A235 HydrophobicContact CG2-CB 3.81Å; V231-A235 PolarHBondContact O-N 3.42Å; V231-A235 VanDerWaalsContact O-N 3.11Å; K232-A235 PolarHBondContact O-N 3.49Å; K233-A235 VanDerWaalsContact C-N 3.32Å; K233-A235 PolarHBondContact O-N 3.4Å; A235-G239 PolarHBondContact O-N 2.69Å; A235-F240 HydrophobicContact CB-CB 4.41Å; A235-F240 WeakPolarHBondContact O-CA 3.36Å; A235-F240 WeakPolarHBondContact O-CB 3.45Å; A235-F240 PolarHBondContact O-N 2.97Å; A235-L244 HydrophobicContact CB-CD2 4.06Å; A235-L244 HydrophobicContact CB-CG 4.45Å
236	A	87	Confident	83.4	Confident	25 Å²	25	61.1 Å²	61.1	21%	0.207	30%	0.302	C	S	.	.	H	α-helix	trans	-67.4	-48.1	174.4	0	0	0	0	0	111.4	K232 K233 M234 A238 G239 H241 L244	K232-A236 PolarHBondContact O-N 2.94Å; K233-A236 WeakPolarHBondContact O-CB 3.26Å; K233-A236 PolarHBondContact O-N 2.85Å; M234-A236 VanDerWaalsContact C-N 3.32Å; M234-A236 PolarHBondContact O-N 3.39Å; A236-A238 PolarHBondContact O-N 3.45Å; A236-G239 PolarHBondContact O-N 3.31Å; A236-H241 PolarHBondContact O-CE1 3.4Å; A236-H241 PolarHBondContact O-NE2 2.81Å; A236-L244 HydrophobicContact CB-CD1 3.67Å
237	E	87.5	Confident	82.3	Confident	135 Å²	135	68.3 Å²	68.3	63%	0.631	33%	0.331	S	S	*	.	H	α-helix	trans	-62.5	-31.7	179.7	-70.5	172.3	161.1	0	0	112.3	K233 M234 G239	K233-E237 WeakPolarHBondContact CE-OE1 3.4Å; K233-E237 HydrophobicContact CG-CG 4.44Å; K233-E237 IonicContact NZ-OE1 3.09Å; K233-E237 WeakPolarHBondContact O-CG 3.43Å; K233-E237 PolarHBondContact O-N 3.41Å; M234-E237 PolarHBondContact O-N 2.96Å; E237-G239 VanDerWaalsContact C-N 3.29Å; E237-G239 PolarHBondContact O-N 2.87Å
238	A	81.2	Confident	81	Confident	34 Å²	34	68.7 Å²	68.7	28%	0.281	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	11.5	172.6	0	0	0	0	0	114.6	L50 M234 A236 F240	L50-A238 HydrophobicContact CD1-CB 4.17Å; L50-A238 HydrophobicContact CD2-CB 3.73Å; M234-A238 WeakPolarHBondContact O-CB 3.48Å; M234-A238 PolarHBondContact O-N 3.28Å; A236-A238 PolarHBondContact O-N 3.45Å; A238-F240 HydrophobicContact CB-CD2 3.77Å; A238-F240 HydrophobicContact CB-CE2 3.78Å; A238-F240 WeakPolarHBondContact O-CD2 3.28Å; A238-F240 WeakPolarHBondContact O-CE2 3.4Å; A238-F240 PolarHBondContact O-N 2.94Å
239	G	85.1	Confident	79.8	Confident	46 Å²	46	69.2 Å²	69.2	47%	0.474	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	0.2	173.3	0	0	0	0	0	116.3	A235 A236 E237 H241	A235-G239 PolarHBondContact O-N 2.69Å; A236-G239 PolarHBondContact O-N 3.31Å; E237-G239 VanDerWaalsContact C-N 3.29Å; E237-G239 PolarHBondContact O-N 2.87Å; G239-H241 PolarHBondContact O-N 2.86Å
240	F	83.3	Confident	78.4	Confident	3 Å²	3	69.5 Å²	69.5	1%	0.013	34%	0.336	C	S	.	.			trans	-80.4	32.9	-177.4	-59.1	-73.5	0	0	0	114.2	V46 V91 T94 L95 A235 A238 H242 V243 L244	V46-F240 HydrophobicContact CG1-CB 4.12Å; V46-F240 HydrophobicContact CG1-CD1 4.24Å; V46-F240 HydrophobicContact CG1-CD2 3.4Å; V46-F240 HydrophobicContact CG1-CE2 3.82Å; V46-F240 HydrophobicContact CG1-CG 3.64Å; V46-F240 HydrophobicContact CG1-CZ 4.41Å; V91-F240 HydrophobicContact CB-CE1 4.27Å; V91-F240 HydrophobicContact CG1-CE1 4.3Å; V91-F240 HydrophobicContact CG2-CD1 3.92Å; V91-F240 HydrophobicContact CG2-CE1 3.87Å; T94-F240 HydrophobicContact CG2-CE1 3.8Å; T94-F240 HydrophobicContact CG2-CZ 3.66Å; L95-F240 HydrophobicContact CD1-CZ 4.44Å; L95-F240 HydrophobicContact CD2-CE2 4.02Å; L95-F240 HydrophobicContact CD2-CZ 3.87Å; L95-F240 HydrophobicContact CG-CE2 4.46Å; L95-F240 HydrophobicContact CG-CZ 3.91Å; A235-F240 HydrophobicContact CB-CB 4.41Å; A235-F240 WeakPolarHBondContact O-CA 3.36Å; A235-F240 WeakPolarHBondContact O-CB 3.45Å; A235-F240 PolarHBondContact O-N 2.97Å; A238-F240 HydrophobicContact CB-CD2 3.77Å; A238-F240 HydrophobicContact CB-CE2 3.78Å; A238-F240 WeakPolarHBondContact O-CD2 3.28Å; A238-F240 WeakPolarHBondContact O-CE2 3.4Å; A238-F240 PolarHBondContact O-N 2.94Å; F240-H242 AromaticContact CD1-CE1 3.96Å; F240-H242 PolarHBondContact O-N 3.36Å; F240-H242 VanDerWaalsContact O-N 3.08Å; F240-V243 HydrophobicContact CB-CG2 4.14Å; F240-V243 WeakPolarHBondContact O-CB 3.44Å; F240-V243 PolarHBondContact O-N 2.9Å; F240-L244 PolarHBondContact O-N 3.07Å
241	H	82.3	Confident	77.4	Confident	111 Å²	111	67.5 Å²	67.5	51%	0.514	34%	0.342	S	S	.	.	H	α-helix	trans	-54.2	-30.6	178.9	-62.5	-75.2	0	0	0	113.7	A236 G239 V243 L244 R245	A236-H241 PolarHBondContact O-CE1 3.4Å; A236-H241 PolarHBondContact O-NE2 2.81Å; G239-H241 PolarHBondContact O-N 2.86Å; H241-V243 VanDerWaalsContact C-N 3.31Å; H241-V243 PolarHBondContact O-N 3.47Å; H241-L244 PolarHBondContact O-N 3.38Å; H241-R245 PolarHBondContact O-N 2.78Å
242	H	78.1	Confident	76.8	Confident	64 Å²	64	68.7 Å²	68.7	30%	0.296	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-35.7	178.1	65.4	-88.9	0	0	0	112.5	F240	F240-H242 AromaticContact CD1-CE1 3.96Å; F240-H242 PolarHBondContact O-N 3.36Å; F240-H242 VanDerWaalsContact O-N 3.08Å
243	V	72.4	Confident	76	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-68.7	-38.9	176	-173	0	0	0	0	110.8	V42 V46 F240 H241 R245 K246	V42-V243 HydrophobicContact CB-CG1 3.78Å; V42-V243 HydrophobicContact CG1-CG1 3.6Å; V42-V243 HydrophobicContact CG1-CG2 4.42Å; V46-V243 HydrophobicContact CG2-CG2 4.37Å; F240-V243 HydrophobicContact CB-CG2 4.14Å; F240-V243 WeakPolarHBondContact O-CB 3.44Å; F240-V243 PolarHBondContact O-N 2.9Å; H241-V243 VanDerWaalsContact C-N 3.31Å; H241-V243 PolarHBondContact O-N 3.47Å; V243-R245 PolarHBondContact O-N 3.49Å; V243-K246 WeakPolarHBondContact O-CB 3.41Å; V243-K246 PolarHBondContact O-N 3.32Å
244	L	77.9	Confident	75	Confident	55 Å²	55	60.5 Å²	60.5	29%	0.288	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-21.1	-179.1	-63.1	178.2	0	0	0	114.1	T43 K232 A235 A236 F240 H241 K246	T43-L244 HydrophobicContact CG2-CD2 3.57Å; K232-L244 HydrophobicContact CB-CD2 3.98Å; K232-L244 HydrophobicContact CG-CD2 3.98Å; K232-L244 WeakPolarHBondContact O-CD1 3.33Å; A235-L244 HydrophobicContact CB-CD2 4.06Å; A235-L244 HydrophobicContact CB-CG 4.45Å; A236-L244 HydrophobicContact CB-CD1 3.67Å; F240-L244 PolarHBondContact O-N 3.07Å; H241-L244 PolarHBondContact O-N 3.38Å; L244-K246 VanDerWaalsContact C-N 3.3Å
245	R	75.5	Confident	74.3	Confident	204 Å²	204	59.4 Å²	59.4	77%	0.77	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-12.1	175.2	-64.5	-176.5	-62.1	-151.9	2.2	113.3	H241 V243	H241-R245 PolarHBondContact O-N 2.78Å; V243-R245 PolarHBondContact O-N 3.49Å
246	K	69.7	Low	73.5	Confident	52 Å²	52	60.2 Å²	60.2	23%	0.226	32%	0.317	C	S	.	.	S	Bend	trans	-73.8	128.7	174.9	-68.1	-171	174.4	-178.7	0	109.9	R39 D84 D87 V243 L244	R39-K246 HydrophobicContact CB-CB 4.41Å; R39-K246 HydrophobicContact CB-CD 4.49Å; D84-K246 IonicContact OD1-NZ 3.85Å; D84-K246 PolarHBondContact OD1-NZ 3.39Å; D87-K246 WeakPolarHBondContact OD2-CE 3.43Å; D87-K246 IonicContact OD2-NZ 3.66Å; D87-K246 PolarHBondContact OD2-NZ 3.47Å; V243-K246 WeakPolarHBondContact O-CB 3.41Å; V243-K246 PolarHBondContact O-N 3.32Å; L244-K246 VanDerWaalsContact C-N 3.3Å
247	K	65	Low	72.7	Confident	186 Å²	186	66.3 Å²	66.3	81%	0.809	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-62	149.1	169.6	-70	-173.3	176.8	-176.9	0	110.3	R39 S249	R39-K247 WeakPolarHBondContact CB-O 3.07Å; K247-S249 PolarHBondContact O-N 3.36Å
248	E	63	Low	72.2	Confident	79 Å²	79	63.9 Å²	63.9	37%	0.369	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-61.7	130.3	169.2	-65.8	-166.4	142.6	0	0	109.4	K202 K228	K202-E248 VanDerWaalsContact NZ-CD 3.29Å; K202-E248 IonicContact NZ-OE1 2.67Å; K202-E248 PolarHBondContact NZ-OE1 2.99Å; K202-E248 IonicContact NZ-OE2 3.3Å; K202-E248 PolarHBondContact NZ-OE2 3.26Å; K228-E248 VanDerWaalsContact CE-OE1 3.22Å; K228-E248 WeakPolarHBondContact CE-OE1 3.47Å; K228-E248 IonicContact NZ-OE1 3.38Å; K228-E248 PolarHBondContact NZ-OE1 3.35Å
249	S	59.8	Low	72.3	Confident	23 Å²	23	67 Å²	67	16%	0.161	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-74.8	133.8	172.1	-69.2	0	0	0	0	111	S38 R39 K247	S38-S249 VanDerWaalsContact CB-CB 3.41Å; S38-S249 WeakPolarHBondContact CB-OG 3.3Å; S38-S249 WeakPolarHBondContact O-CB 3.47Å; S38-S249 PolarHBondContact O-OG 2.9Å; S38-S249 VanDerWaalsContact O-OG 3.14Å; R39-S249 VanDerWaalsContact CB-OG 3.28Å; R39-S249 WeakPolarHBondContact CB-OG 3.42Å; R39-S249 WeakPolarHBondContact CG-OG 3.32Å; R39-S249 PolarHBondContact N-OG 3.47Å; K247-S249 PolarHBondContact O-N 3.36Å
250	M	60.2	Low	72.3	Confident	126 Å²	126	67.8 Å²	67.8	62%	0.621	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-103.3	161.8	164.3	-51.6	-58.9	-78.1	0	0	108.6	E257	M250-E257 WeakPolarHBondContact O-CB 3.32Å
251	G	67.3	Low	72.5	Confident	52 Å²	52	70.8 Å²	70.8	54%	0.536	34%	0.342	S	S	.	.	S	Bend	trans	99.7	-175.4	179.5	0	0	0	0	0	114.3
252	I	74.6	Confident	72.7	Confident	26 Å²	26	69.7 Å²	69.7	13%	0.133	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-66.2	134	-172.5	-62.3	171.2	0	0	0	110	Y108 L116 P128 F254 V255 G256 F263	Y108-I252 WeakPolarHBondContact OH-CG2 3.45Å; L116-I252 HydrophobicContact CD1-CD1 4.19Å; P128-I252 HydrophobicContact CB-CG2 4.13Å; P128-I252 HydrophobicContact CG-CB 4.39Å; P128-I252 HydrophobicContact CG-CG1 4.05Å; P128-I252 HydrophobicContact CG-CG2 3.75Å; I252-F254 PolarHBondContact O-N 3.18Å; I252-V255 HydrophobicContact CB-CB 4.11Å; I252-V255 HydrophobicContact CB-CG2 4.25Å; I252-V255 HydrophobicContact CG2-CB 4.18Å; I252-V255 HydrophobicContact CG2-CG2 3.77Å; I252-V255 PolarHBondContact O-N 2.9Å; I252-G256 PolarHBondContact O-N 2.79Å; I252-G256 VanDerWaalsContact O-N 3.11Å; I252-F263 HydrophobicContact CD1-CE1 4.12Å
253	C	68.5	Low	73.2	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.014	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	134.2	178.4	-168.8	0	0	0	0	111.8	Y108 D129 C132 V255	Y108-C253 PolarHBondContact OH-O 3.27Å; D129-C253 WeakPolarHBondContact OD1-CB 3.18Å; D129-C253 PolarHBondContact OD1-N 3.42Å; C132-C253 VanDerWaalsContact SG-SG 3.61Å; C253-V255 PolarHBondContact O-N 3.12Å
254	F	68	Low	74	Confident	15 Å²	15	66.8 Å²	66.8	7%	0.066	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	-24.2	-175	-49.9	-71	0	0	0	117.8	S36 N69 W70 Y108 C132 I252	S36-F254 WeakPolarHBondContact O-CD1 3.29Å; S36-F254 WeakPolarHBondContact O-CE1 3.43Å; N69-F254 HydrophobicContact CB-CB 4.2Å; N69-F254 HydrophobicContact CB-CD1 3.91Å; N69-F254 HydrophobicContact CB-CD2 3.62Å; N69-F254 HydrophobicContact CB-CE1 4.17Å; N69-F254 HydrophobicContact CB-CE2 3.88Å; N69-F254 HydrophobicContact CB-CG 3.65Å; N69-F254 HydrophobicContact CB-CZ 4.2Å; N69-F254 WeakPolarHBondContact ND2-CE1 3.4Å; N69-F254 WeakPolarHBondContact ND2-CE2 3.47Å; N69-F254 WeakPolarHBondContact ND2-CZ 3.31Å; W70-F254 HydrophobicContact CB-CB 4.06Å; Y108-F254 AromaticContact CD2-CD2 3.95Å; Y108-F254 HydrophobicContact CD2-CD2 3.95Å; Y108-F254 HydrophobicContact CD2-CE2 4.48Å; Y108-F254 AromaticContact CE2-CD2 3.76Å; Y108-F254 HydrophobicContact CE2-CD2 3.76Å; Y108-F254 HydrophobicContact CE2-CE2 4.49Å; C132-F254 WeakPolarHBondContact SG-CE2 3.29Å; I252-F254 PolarHBondContact O-N 3.18Å
255	V	69.3	Low	74.6	Confident	8 Å²	8	66.1 Å²	66.1	5%	0.048	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-34.2	176.4	-177.6	0	0	0	0	112.1	W70 I252 C253 R258 F263	W70-V255 HydrophobicContact CD2-CG2 3.92Å; W70-V255 HydrophobicContact CE3-CG2 4.01Å; W70-V255 HydrophobicContact CG-CG2 4.47Å; W70-V255 HydrophobicContact CH2-CG2 4.36Å; W70-V255 HydrophobicContact CZ2-CG2 4.28Å; W70-V255 HydrophobicContact CZ3-CG2 4.23Å; I252-V255 HydrophobicContact CB-CB 4.11Å; I252-V255 HydrophobicContact CB-CG2 4.25Å; I252-V255 HydrophobicContact CG2-CB 4.18Å; I252-V255 HydrophobicContact CG2-CG2 3.77Å; I252-V255 PolarHBondContact O-N 2.9Å; C253-V255 PolarHBondContact O-N 3.12Å; V255-R258 PolarHBondContact O-NE 3.05Å; V255-F263 HydrophobicContact CG1-CD2 4.28Å; V255-F263 HydrophobicContact CG1-CE1 4.2Å; V255-F263 HydrophobicContact CG1-CE2 3.55Å; V255-F263 HydrophobicContact CG1-CZ 3.51Å; V255-F263 HydrophobicContact CG2-CZ 4.33Å
256	G	67.5	Low	75.4	Confident	18 Å²	18	61.1 Å²	61.1	19%	0.186	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	90.4	-167	177.9	0	0	0	0	0	115	I252	I252-G256 PolarHBondContact O-N 2.79Å; I252-G256 VanDerWaalsContact O-N 3.11Å
257	E	70.4	Confident	76.4	Confident	153 Å²	153	61.8 Å²	61.8	72%	0.715	31%	0.31	S	S	*	.	S	Bend	trans	-86.4	118.6	-179.1	-171.7	176.8	-173.3	0	0	110.2	M250	M250-E257 WeakPolarHBondContact O-CB 3.32Å
258	R	76.1	Confident	77.7	Confident	84 Å²	84	53.5 Å²	53.5	32%	0.317	28%	0.275	S	S	.	.			trans	-144	163.7	-178.3	-61.3	-172.1	-175.8	-156.3	13.8	111.1	E75 V255 F260 F263	E75-R258 IonicContact OE1-CZ 2.64Å; E75-R258 IonicContact OE1-NH1 2.67Å; E75-R258 PolarHBondContact OE1-NH1 3.4Å; E75-R258 IonicContact OE1-NH2 2.79Å; E75-R258 IonicContact OE2-CZ 2.86Å; E75-R258 IonicContact OE2-NH1 2.7Å; E75-R258 PolarHBondContact OE2-NH1 3.29Å; E75-R258 IonicContact OE2-NH2 3.03Å; E75-R258 PolarHBondContact OE2-NH2 3.49Å; V255-R258 PolarHBondContact O-NE 3.05Å; R258-F260 PolarHBondContact O-N 3.03Å; R258-F263 HydrophobicContact CB-CB 4.45Å
259	N	84.5	Confident	79.1	Confident	98 Å²	98	57.1 Å²	57.1	52%	0.524	29%	0.291	S	S	.	.			trans	-68.7	110.8	163.1	-177	-50	0	0	0	108.6	E261 N262 F263	N259-E261 VanDerWaalsContact C-N 3.33Å; N259-E261 PolarHBondContact O-N 2.82Å; N259-E261 WeakPolarHBondContact OD1-CB 3.24Å; N259-E261 PolarHBondContact OD1-N 3.34Å; N259-N262 HydrophobicContact CB-CB 4.35Å; N259-N262 PolarHBondContact O-N 3.46Å; N259-N262 PolarHBondContact OD1-N 3.43Å; N259-F263 WeakPolarHBondContact O-CB 3.4Å; N259-F263 PolarHBondContact O-N 2.81Å
260	F	85.3	Confident	80.7	Confident	63 Å²	63	60 Å²	60	28%	0.276	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-37.3	-175	176	-100.4	0	0	0	113.6	Y120 R258 F263 I264	Y120-F260 HydrophobicContact CD1-CZ 4.31Å; Y120-F260 HydrophobicContact CD2-CZ 4.34Å; Y120-F260 HydrophobicContact CE1-CE1 4.23Å; Y120-F260 HydrophobicContact CE1-CE2 4.49Å; Y120-F260 AromaticContact CE1-CZ 3.62Å; Y120-F260 HydrophobicContact CE1-CZ 3.62Å; Y120-F260 AromaticContact CE2-CE2 3.85Å; Y120-F260 HydrophobicContact CE2-CE2 3.85Å; Y120-F260 AromaticContact CE2-CZ 3.64Å; Y120-F260 HydrophobicContact CE2-CZ 3.64Å; Y120-F260 AromaticContact CZ-CE2 3.71Å; Y120-F260 AromaticContact CZ-CZ 3.25Å; Y120-F260 WeakPolarHBondContact OH-CE2 3.45Å; Y120-F260 VanDerWaalsContact OH-CZ 3.32Å; Y120-F260 WeakPolarHBondContact OH-CZ 3.28Å; R258-F260 PolarHBondContact O-N 3.03Å; F260-F263 PolarHBondContact O-N 3.4Å; F260-I264 HydrophobicContact CE1-CB 4.37Å; F260-I264 HydrophobicContact CE1-CG2 4.12Å; F260-I264 HydrophobicContact CE2-CB 4.17Å; F260-I264 HydrophobicContact CE2-CD1 4.41Å; F260-I264 HydrophobicContact CE2-CG1 4.48Å; F260-I264 HydrophobicContact CZ-CB 3.91Å; F260-I264 HydrophobicContact CZ-CD1 4.32Å; F260-I264 HydrophobicContact CZ-CG1 4.04Å; F260-I264 HydrophobicContact CZ-CG2 4.14Å; F260-I264 WeakPolarHBondContact O-CG2 3.46Å; F260-I264 PolarHBondContact O-N 3.04Å
261	E	86.9	Confident	82.2	Confident	66 Å²	66	58.1 Å²	58.1	31%	0.308	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-46.4	-179.9	-177.8	-179.8	119.6	0	0	111	N259 L265 K288 T292	N259-E261 VanDerWaalsContact C-N 3.33Å; N259-E261 PolarHBondContact O-N 2.82Å; N259-E261 WeakPolarHBondContact OD1-CB 3.24Å; N259-E261 PolarHBondContact OD1-N 3.34Å; E261-L265 HydrophobicContact CG-CD1 3.97Å; E261-L265 WeakPolarHBondContact O-CB 3.29Å; E261-L265 VanDerWaalsContact O-CD1 3.29Å; E261-L265 WeakPolarHBondContact O-CD1 3.46Å; E261-L265 WeakPolarHBondContact O-CG 3.17Å; E261-L265 PolarHBondContact O-N 2.91Å; E261-K288 WeakPolarHBondContact OE1-CD 3.35Å; E261-K288 WeakPolarHBondContact OE1-CE 3.29Å; E261-K288 IonicContact OE1-NZ 3.88Å; E261-K288 PolarHBondContact OE1-NZ 2.81Å; E261-T292 HydrophobicContact CG-CG2 4.05Å
262	N	87.4	Confident	83.5	Confident	88 Å²	88	60.6 Å²	60.6	47%	0.471	31%	0.305	S	S	.	.	H	α-helix	trans	-64.2	-48.3	177.1	-66.1	0.9	0	0	0	110.7	N259 I264 L265 E266	N259-N262 HydrophobicContact CB-CB 4.35Å; N259-N262 PolarHBondContact O-N 3.46Å; N259-N262 PolarHBondContact OD1-N 3.43Å; N262-I264 PolarHBondContact O-N 3.32Å; N262-L265 PolarHBondContact O-N 2.68Å; N262-E266 PolarHBondContact O-N 2.99Å
263	F	87.8	Confident	84.5	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-58.7	-45	-178.5	172	-105.6	0	0	0	113	W70 E75 F113 I252 V255 R258 N259 F260 L265 E266 Y267	W70-F263 HydrophobicContact CZ2-CE2 4.28Å; W70-F263 HydrophobicContact CZ2-CZ 4.33Å; E75-F263 WeakPolarHBondContact OE1-CE2 3.43Å; F113-F263 AromaticContact CE2-CE1 3.86Å; F113-F263 HydrophobicContact CE2-CE1 3.86Å; F113-F263 AromaticContact CE2-CZ 3.57Å; F113-F263 HydrophobicContact CE2-CZ 3.57Å; F113-F263 HydrophobicContact CZ-CE1 4.17Å; F113-F263 AromaticContact CZ-CZ 3.73Å; F113-F263 HydrophobicContact CZ-CZ 3.73Å; I252-F263 HydrophobicContact CD1-CE1 4.12Å; V255-F263 HydrophobicContact CG1-CD2 4.28Å; V255-F263 HydrophobicContact CG1-CE1 4.2Å; V255-F263 HydrophobicContact CG1-CE2 3.55Å; V255-F263 HydrophobicContact CG1-CZ 3.51Å; V255-F263 HydrophobicContact CG2-CZ 4.33Å; R258-F263 HydrophobicContact CB-CB 4.45Å; N259-F263 WeakPolarHBondContact O-CB 3.4Å; N259-F263 PolarHBondContact O-N 2.81Å; F260-F263 PolarHBondContact O-N 3.4Å; F263-L265 VanDerWaalsContact C-N 3.29Å; F263-L265 PolarHBondContact O-N 3.49Å; F263-E266 WeakPolarHBondContact O-CB 3.43Å; F263-E266 PolarHBondContact O-N 3.03Å; F263-Y267 HydrophobicContact CD2-CE2 4.12Å; F263-Y267 HydrophobicContact CE2-CD2 4.43Å; F263-Y267 AromaticContact CE2-CE2 3.61Å; F263-Y267 HydrophobicContact CE2-CE2 3.61Å; F263-Y267 HydrophobicContact CZ-CD2 4.48Å; F263-Y267 AromaticContact CZ-CE2 3.93Å; F263-Y267 HydrophobicContact CZ-CE2 3.93Å; F263-Y267 WeakPolarHBondContact O-CD2 3.23Å
264	I	89.9	Confident	85.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-71.3	-27	-179	-159.9	66.2	0	0	0	112.2	L116 L117 Y120 F260 N262 E266 Y267 L268 F291 T292	L116-I264 HydrophobicContact CD2-CD1 4.21Å; L117-I264 HydrophobicContact CD2-CD1 3.68Å; Y120-I264 HydrophobicContact CD2-CD1 3.78Å; Y120-I264 HydrophobicContact CD2-CG1 4.43Å; Y120-I264 HydrophobicContact CE2-CD1 4.22Å; Y120-I264 HydrophobicContact CG-CD1 4.42Å; F260-I264 HydrophobicContact CE1-CB 4.37Å; F260-I264 HydrophobicContact CE1-CG2 4.12Å; F260-I264 HydrophobicContact CE2-CB 4.17Å; F260-I264 HydrophobicContact CE2-CD1 4.41Å; F260-I264 HydrophobicContact CE2-CG1 4.48Å; F260-I264 HydrophobicContact CZ-CB 3.91Å; F260-I264 HydrophobicContact CZ-CD1 4.32Å; F260-I264 HydrophobicContact CZ-CG1 4.04Å; F260-I264 HydrophobicContact CZ-CG2 4.14Å; F260-I264 WeakPolarHBondContact O-CG2 3.46Å; F260-I264 PolarHBondContact O-N 3.04Å; N262-I264 PolarHBondContact O-N 3.32Å; I264-E266 VanDerWaalsContact C-N 3.29Å; I264-E266 PolarHBondContact O-N 2.89Å; I264-Y267 PolarHBondContact O-N 2.74Å; I264-L268 HydrophobicContact CD1-CD1 4.23Å; I264-L268 HydrophobicContact CG1-CD1 3.93Å; I264-L268 HydrophobicContact CG1-CG 4.35Å; I264-L268 PolarHBondContact O-N 3.32Å; I264-F291 HydrophobicContact CG1-CD2 4.3Å; I264-F291 HydrophobicContact CG2-CD2 4.03Å; I264-F291 HydrophobicContact CG2-CE2 4.23Å; I264-T292 HydrophobicContact CG2-CG2 4.01Å
265	L	90.9	Very high	87.4	Confident	42 Å²	42	62.5 Å²	62.5	22%	0.22	32%	0.317	C	S	.	.	H	α-helix	trans	-77.3	-10.2	176.1	-68.4	169.3	0	0	0	113.6	E261 N262 F263 P270 K288 F291 T292	E261-L265 HydrophobicContact CG-CD1 3.97Å; E261-L265 WeakPolarHBondContact O-CB 3.29Å; E261-L265 VanDerWaalsContact O-CD1 3.29Å; E261-L265 WeakPolarHBondContact O-CD1 3.46Å; E261-L265 WeakPolarHBondContact O-CG 3.17Å; E261-L265 PolarHBondContact O-N 2.91Å; N262-L265 PolarHBondContact O-N 2.68Å; F263-L265 VanDerWaalsContact C-N 3.29Å; F263-L265 PolarHBondContact O-N 3.49Å; L265-P270 HydrophobicContact CD2-CB 4.19Å; L265-P270 HydrophobicContact CD2-CG 4.03Å; L265-K288 HydrophobicContact CD1-CD 3.95Å; L265-F291 HydrophobicContact CD2-CE2 3.57Å; L265-F291 HydrophobicContact CD2-CZ 3.79Å; L265-F291 HydrophobicContact CG-CE2 4.39Å; L265-T292 HydrophobicContact CD2-CG2 4.41Å; L265-T292 HydrophobicContact CG-CG2 4.4Å
266	E	90.6	Very high	88.8	Confident	99 Å²	99	62.7 Å²	62.7	46%	0.463	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.9	166.7	-66.8	165.6	-133.9	0	0	111.6	N262 F263 I264	N262-E266 PolarHBondContact O-N 2.99Å; F263-E266 WeakPolarHBondContact O-CB 3.43Å; F263-E266 PolarHBondContact O-N 3.03Å; I264-E266 VanDerWaalsContact C-N 3.29Å; I264-E266 PolarHBondContact O-N 2.89Å
267	Y	91.4	Very high	90.2	Very high	66 Å²	66	61.9 Å²	61.9	26%	0.259	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-24.9	-174.5	-61.1	-71.5	0	0	0	115.3	E75 W109 F113 L117 F263 I264	E75-Y267 PolarHBondContact OE1-OH 3.33Å; W109-Y267 HydrophobicContact CH2-CD1 4.02Å; W109-Y267 AromaticContact CH2-CE1 3.6Å; W109-Y267 HydrophobicContact CH2-CE1 3.6Å; W109-Y267 HydrophobicContact CZ3-CE1 4.1Å; F113-Y267 AromaticContact CE1-CD1 3.99Å; F113-Y267 HydrophobicContact CE1-CD1 3.99Å; F113-Y267 AromaticContact CE1-CD2 4Å; F113-Y267 HydrophobicContact CE1-CD2 4Å; F113-Y267 HydrophobicContact CE1-CE1 4.06Å; F113-Y267 HydrophobicContact CE1-CE2 4.03Å; F113-Y267 AromaticContact CE1-CG 3.95Å; F113-Y267 HydrophobicContact CE1-CG 3.95Å; F113-Y267 HydrophobicContact CZ-CD1 4.44Å; F113-Y267 AromaticContact CZ-CD2 3.61Å; F113-Y267 HydrophobicContact CZ-CD2 3.61Å; F113-Y267 AromaticContact CZ-CE2 3.65Å; F113-Y267 HydrophobicContact CZ-CE2 3.65Å; F113-Y267 HydrophobicContact CZ-CG 4.01Å; L117-Y267 HydrophobicContact CD2-CG 4.36Å; F263-Y267 HydrophobicContact CD2-CE2 4.12Å; F263-Y267 HydrophobicContact CE2-CD2 4.43Å; F263-Y267 AromaticContact CE2-CE2 3.61Å; F263-Y267 HydrophobicContact CE2-CE2 3.61Å; F263-Y267 HydrophobicContact CZ-CD2 4.48Å; F263-Y267 AromaticContact CZ-CE2 3.93Å; F263-Y267 HydrophobicContact CZ-CE2 3.93Å; F263-Y267 WeakPolarHBondContact O-CD2 3.23Å; I264-Y267 PolarHBondContact O-N 2.74Å
268	L	93	Very high	91.4	Very high	12 Å²	12	56.8 Å²	56.8	6%	0.063	29%	0.287	C	S	.	.	S	Bend	trans	-118.1	128	178.5	-62.3	-175.6	0	0	0	110.5	L117 E121 I264 F291	L117-L268 HydrophobicContact CB-CD2 4.27Å; L117-L268 HydrophobicContact CD2-CD2 4.3Å; L117-L268 HydrophobicContact CD2-CG 4.18Å; E121-L268 HydrophobicContact CG-CD1 4.07Å; E121-L268 HydrophobicContact CG-CD2 3.64Å; I264-L268 HydrophobicContact CD1-CD1 4.23Å; I264-L268 HydrophobicContact CG1-CD1 3.93Å; I264-L268 HydrophobicContact CG1-CG 4.35Å; I264-L268 PolarHBondContact O-N 3.32Å; L268-F291 HydrophobicContact CB-CD2 4.3Å; L268-F291 HydrophobicContact CB-CE1 4.46Å; L268-F291 HydrophobicContact CB-CE2 3.9Å; L268-F291 HydrophobicContact CB-CZ 3.98Å; L268-F291 HydrophobicContact CD1-CB 4.2Å; L268-F291 HydrophobicContact CD1-CD1 4.46Å; L268-F291 HydrophobicContact CD1-CD2 3.93Å; L268-F291 HydrophobicContact CD1-CE2 4.38Å; L268-F291 HydrophobicContact CD1-CG 3.97Å
269	E	92.2	Very high	92.3	Very high	154 Å²	154	57 Å²	57	72%	0.72	29%	0.292	S	S	*	.			trans	-58	133.3	176.1	-66.1	-176.6	158.2	0	0	111.3	K271 F291	E269-K271 PolarHBondContact O-N 3.22Å; E269-F291 WeakPolarHBondContact O-CE1 3.39Å; E269-F291 VanDerWaalsContact O-CZ 3.28Å; E269-F291 WeakPolarHBondContact O-CZ 3.28Å
270	P	92.6	Very high	92.8	Very high	85 Å²	85	57 Å²	57	55%	0.552	29%	0.291	S	S	*	.			trans	-56.3	126.8	175.3	-17.7	24.9	0	0	0	111.8	L265 P272	L265-P270 HydrophobicContact CD2-CB 4.19Å; L265-P270 HydrophobicContact CD2-CG 4.03Å; P270-P272 WeakPolarHBondContact O-CD 3.28Å
271	K	92.8	Very high	93.3	Very high	86 Å²	86	56.4 Å²	56.4	37%	0.374	30%	0.303	S	S	.	.			trans	-121.9	81.5	176.5	-69.7	-178.8	-176.8	175.4	0	109.1	E269 K288 G289 W290 F291	E269-K271 PolarHBondContact O-N 3.22Å; K271-K288 CarbonylContact C-O 3.55Å; K271-K288 VanDerWaalsContact C-O 3.29Å; K271-K288 PolarHBondContact N-O 3.38Å; K271-G289 VanDerWaalsContact O-CA 3.27Å; K271-G289 WeakPolarHBondContact O-CA 3.34Å; K271-W290 HydrophobicContact CB-CE3 4.47Å; K271-W290 HydrophobicContact CB-CH2 4.06Å; K271-W290 HydrophobicContact CB-CZ3 3.89Å; K271-W290 HydrophobicContact CD-CH2 3.59Å; K271-W290 HydrophobicContact CD-CZ2 3.98Å; K271-W290 HydrophobicContact CD-CZ3 4.3Å; K271-W290 HydrophobicContact CG-CH2 4.42Å; K271-F291 HydrophobicContact CB-CE1 4.23Å
272	P	94.4	Very high	93.8	Very high	104 Å²	104	55 Å²	55	68%	0.675	30%	0.303	S	S	*	.			trans	-65.1	145.8	-175	27.3	-34.4	0	0	0	111.7	P270 H287	P270-P272 WeakPolarHBondContact O-CD 3.28Å; P272-H287 WeakPolarHBondContact CA-O 3.34Å; P272-H287 WeakPolarHBondContact CB-O 3.33Å
273	G	95.9	Very high	94.2	Very high	9 Å²	9	55.1 Å²	55.1	9%	0.093	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	179.5	-177.6	0	0	0	0	0	111.3	T286 H287	G273-T286 CarbonylContact O-C 3.39Å; G273-T286 VanDerWaalsContact O-CA 3.26Å; G273-T286 WeakPolarHBondContact O-CA 3.48Å; G273-T286 WeakPolarHBondContact O-CB 3.49Å; G273-H287 VanDerWaalsContact CA-CE1 3.41Å; G273-H287 WeakPolarHBondContact CA-CE1 3.18Å; G273-H287 PolarHBondContact N-CE1 2.85Å; G273-H287 PolarHBondContact N-O 2.98Å; G273-H287 PolarHBondContact O-N 2.79Å
274	N	97.9	Very high	94.6	Very high	60 Å²	60	57.4 Å²	57.4	32%	0.321	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	148.4	-172.5	-48.3	-74.5	0	0	0	112.5	V276 V283 G285 H287 D319 V320	N274-V276 HydrophobicContact CB-CG2 4.05Å; N274-V283 HydrophobicContact CB-CG1 4.1Å; N274-V283 HydrophobicContact CB-CG2 4.39Å; N274-G285 WeakPolarHBondContact CA-O 3.35Å; N274-H287 PolarHBondContact O-NE2 2.72Å; N274-D319 VanDerWaalsContact CB-OD1 3.22Å; N274-D319 WeakPolarHBondContact CB-OD1 3.38Å; N274-D319 PolarHBondContact N-OD1 3.49Å; N274-D319 PolarHBondContact ND2-OD1 2.83Å; N274-V320 PolarHBondContact O-N 2.87Å
275	F	98.1	Very high	94.9	Very high	13 Å²	13	58.6 Å²	58.6	6%	0.057	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	113.6	157.7	-72	-59.3	0	0	0	109	V283 K284 G285 T286 H287 L293 A299 I301 V310 V320 V322	F275-V283 CarbonylContact O-C 3.44Å; F275-V283 WeakPolarHBondContact O-CA 3.37Å; F275-K284 PolarHBondContact O-N 3.31Å; F275-G285 PolarHBondContact N-O 2.81Å; F275-T286 VanDerWaalsContact CE2-O 3.28Å; F275-T286 WeakPolarHBondContact CE2-O 3.32Å; F275-H287 HydrophobicContact CE1-CB 4.33Å; F275-H287 AromaticContact CE1-CD2 3.99Å; F275-H287 HydrophobicContact CE2-CB 3.89Å; F275-H287 HydrophobicContact CZ-CB 3.74Å; F275-L293 HydrophobicContact CE1-CD1 3.68Å; F275-L293 HydrophobicContact CZ-CD1 3.87Å; F275-L293 HydrophobicContact CZ-CD2 4.33Å; F275-A299 HydrophobicContact CD1-CB 4.24Å; F275-A299 HydrophobicContact CE1-CB 3.84Å; F275-A299 HydrophobicContact CZ-CB 3.98Å; F275-I301 HydrophobicContact CB-CD1 3.8Å; F275-I301 HydrophobicContact CD2-CD1 3.98Å; F275-I301 HydrophobicContact CD2-CG1 3.86Å; F275-I301 HydrophobicContact CE2-CG1 4.24Å; F275-I301 HydrophobicContact CG-CD1 3.89Å; F275-I301 HydrophobicContact CG-CG1 4.27Å; F275-V310 HydrophobicContact CE1-CG2 4.45Å; F275-V320 WeakPolarHBondContact CA-O 3.4Å; F275-V320 HydrophobicContact CD1-CB 4.08Å; F275-V320 HydrophobicContact CD1-CG1 4.05Å; F275-V320 HydrophobicContact CE1-CB 4.26Å; F275-V320 HydrophobicContact CE1-CG1 4.01Å; F275-V322 HydrophobicContact CB-CG1 4.36Å; F275-V322 HydrophobicContact CB-CG2 4.13Å; F275-V322 HydrophobicContact CD1-CG1 3.53Å; F275-V322 HydrophobicContact CE1-CG1 4.15Å; F275-V322 HydrophobicContact CG-CG1 4.26Å
276	V	98.2	Very high	95.1	Very high	13 Å²	13	61.5 Å²	61.5	8%	0.079	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.3	-178.9	-177.6	0	0	0	0	109.5	N274 V283 D319 V320 F321 V322	N274-V276 HydrophobicContact CB-CG2 4.05Å; V276-V283 HydrophobicContact CG2-CG2 4.48Å; V276-D319 HydrophobicContact CG2-CB 3.87Å; V276-V320 PolarHBondContact N-O 3.28Å; V276-F321 HydrophobicContact CB-CD1 4.07Å; V276-F321 HydrophobicContact CB-CE1 4.13Å; V276-F321 HydrophobicContact CG1-CD1 4.13Å; V276-F321 HydrophobicContact CG1-CE1 3.92Å; V276-F321 CarbonylContact O-C 3.59Å; V276-F321 VanDerWaalsContact O-CA 3.25Å; V276-F321 WeakPolarHBondContact O-CA 3.43Å; V276-V322 WeakPolarHBondContact O-CG2 3.17Å; V276-V322 PolarHBondContact O-N 2.81Å
277	S	97.6	Very high	95.3	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	131.1	179	158.3	0	0	0	0	112.1	E279 D280 G281 A282 V322	S277-E279 PolarHBondContact O-N 2.93Å; S277-E279 PolarHBondContact OG-N 2.84Å; S277-D280 WeakPolarHBondContact CB-OD1 3.42Å; S277-D280 PolarHBondContact OG-OD1 2.94Å; S277-G281 VanDerWaalsContact O-CA 3.22Å; S277-G281 WeakPolarHBondContact O-CA 3.39Å; S277-G281 PolarHBondContact O-N 3.44Å; S277-A282 PolarHBondContact N-O 2.64Å; S277-V322 WeakPolarHBondContact CA-O 3.46Å
278	I	96.5	Very high	95.4	Very high	45 Å²	45	59.3 Å²	59.3	23%	0.231	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.3	-178.7	-158.5	62.9	0	0	0	113.3	V311 F321 V322 A323 A330 F422	I278-V311 HydrophobicContact CB-CG2 3.99Å; I278-V311 HydrophobicContact CG1-CG2 4.19Å; I278-V311 HydrophobicContact CG2-CG2 4.11Å; I278-F321 HydrophobicContact CD1-CB 4.14Å; I278-F321 HydrophobicContact CD1-CD1 3.84Å; I278-F321 HydrophobicContact CD1-CG 4.03Å; I278-V322 PolarHBondContact N-O 2.82Å; I278-A323 HydrophobicContact CG2-CB 3.72Å; I278-A330 HydrophobicContact CG2-CB 4.16Å; I278-F422 HydrophobicContact CG1-CD1 4.24Å; I278-F422 HydrophobicContact CG1-CE1 3.88Å; I278-F422 HydrophobicContact CG2-CE1 4.16Å; I278-F422 HydrophobicContact CG2-CZ 4.32Å; I278-F422 WeakPolarHBondContact O-CE1 3.34Å; I278-F422 WeakPolarHBondContact O-CZ 3.5Å
279	E	94.4	Very high	95.5	Very high	89 Å²	89	58.8 Å²	58.8	42%	0.416	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-55.9	-178.6	-65.5	177.9	149	0	0	111.4	S277 P324 H328 F422 K426	S277-E279 PolarHBondContact O-N 2.93Å; S277-E279 PolarHBondContact OG-N 2.84Å; E279-P324 WeakPolarHBondContact OE1-CG 3.37Å; E279-P324 WeakPolarHBondContact OE2-CG 3.48Å; E279-H328 IonicContact OE1-CD2 2.77Å; E279-H328 IonicContact OE1-NE2 3.09Å; E279-H328 PolarHBondContact OE1-NE2 3.45Å; E279-F422 HydrophobicContact CG-CZ 4.43Å; E279-K426 PolarHBondContact O-NZ 3.47Å
280	D	94.4	Very high	95.6	Very high	97 Å²	97	52.6 Å²	52.6	52%	0.519	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-7.6	-167.4	62.3	-3	0	0	0	114	S277 A282 K284	S277-D280 WeakPolarHBondContact CB-OD1 3.42Å; S277-D280 PolarHBondContact OG-OD1 2.94Å; D280-A282 PolarHBondContact O-N 3.31Å; D280-A282 WeakPolarHBondContact OD1-CB 3.36Å; D280-A282 PolarHBondContact OD1-N 3.14Å; D280-A282 WeakPolarHBondContact OD2-CB 3.19Å; D280-K284 IonicContact OD1-NZ 3.4Å; D280-K284 IonicContact OD2-NZ 3.5Å; D280-K284 PolarHBondContact OD2-NZ 2.87Å
281	G	96	Very high	95.6	Very high	51 Å²	51	48.7 Å²	48.7	53%	0.526	28%	0.281	S	S	.	.			trans	73	5.4	-175.1	0	0	0	0	0	114.5	S277	S277-G281 VanDerWaalsContact O-CA 3.22Å; S277-G281 WeakPolarHBondContact O-CA 3.39Å; S277-G281 PolarHBondContact O-N 3.44Å
282	A	96.7	Very high	95.6	Very high	37 Å²	37	45 Å²	45	31%	0.306	27%	0.265	S	S	.	.			trans	-77.3	136.7	-175.8	0	0	0	0	0	111.9	S277 D280 K284	S277-A282 PolarHBondContact N-O 2.64Å; D280-A282 PolarHBondContact O-N 3.31Å; D280-A282 WeakPolarHBondContact OD1-CB 3.36Å; D280-A282 PolarHBondContact OD1-N 3.14Å; D280-A282 WeakPolarHBondContact OD2-CB 3.19Å; A282-K284 PolarHBondContact O-N 2.83Å
283	V	97.3	Very high	95.7	Very high	91 Å²	91	40.6 Å²	40.6	55%	0.552	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	122.3	171.5	176.8	0	0	0	0	109.3	N274 F275 V276	N274-V283 HydrophobicContact CB-CG1 4.1Å; N274-V283 HydrophobicContact CB-CG2 4.39Å; F275-V283 CarbonylContact O-C 3.44Å; F275-V283 WeakPolarHBondContact O-CA 3.37Å; V276-V283 HydrophobicContact CG2-CG2 4.48Å
284	K	96.3	Very high	95.6	Very high	51 Å²	51	41.8 Å²	41.8	22%	0.222	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-13.4	-179.3	-52.9	-61.1	176.9	-179.5	0	113.1	F275 D280 A282 I301 W308	F275-K284 PolarHBondContact O-N 3.31Å; D280-K284 IonicContact OD1-NZ 3.4Å; D280-K284 IonicContact OD2-NZ 3.5Å; D280-K284 PolarHBondContact OD2-NZ 2.87Å; A282-K284 PolarHBondContact O-N 2.83Å; K284-I301 HydrophobicContact CB-CD1 3.98Å; K284-I301 HydrophobicContact CB-CG2 4.34Å; K284-I301 WeakPolarHBondContact O-CG2 3.25Å; K284-W308 HydrophobicContact CD-CH2 4.32Å; K284-W308 HydrophobicContact CD-CZ2 4.34Å; K284-W308 HydrophobicContact CG-CH2 4.33Å; K284-W308 HydrophobicContact CG-CZ3 4.36Å
285	G	95.2	Very high	95.6	Very high	25 Å²	25	39.8 Å²	39.8	26%	0.258	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	166	-163.5	179.7	0	0	0	0	0	112.5	N274 F275	N274-G285 WeakPolarHBondContact CA-O 3.35Å; F275-G285 PolarHBondContact N-O 2.81Å
286	T	95.9	Very high	95.5	Very high	104 Å²	104	39.7 Å²	39.7	64%	0.638	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132	162.7	179.3	57.7	0	0	0	0	112.8	G273 F275	G273-T286 CarbonylContact O-C 3.39Å; G273-T286 VanDerWaalsContact O-CA 3.26Å; G273-T286 WeakPolarHBondContact O-CA 3.48Å; G273-T286 WeakPolarHBondContact O-CB 3.49Å; F275-T286 VanDerWaalsContact CE2-O 3.28Å; F275-T286 WeakPolarHBondContact CE2-O 3.32Å
287	H	95.1	Very high	95.5	Very high	15 Å²	15	42.8 Å²	42.8	7%	0.069	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	168.4	175.1	58.2	67.7	0	0	0	112.2	P272 G273 N274 F275 G289 L293 G318 V320	P272-H287 WeakPolarHBondContact CA-O 3.34Å; P272-H287 WeakPolarHBondContact CB-O 3.33Å; G273-H287 VanDerWaalsContact CA-CE1 3.41Å; G273-H287 WeakPolarHBondContact CA-CE1 3.18Å; G273-H287 PolarHBondContact N-CE1 2.85Å; G273-H287 PolarHBondContact N-O 2.98Å; G273-H287 PolarHBondContact O-N 2.79Å; N274-H287 PolarHBondContact O-NE2 2.72Å; F275-H287 HydrophobicContact CE1-CB 4.33Å; F275-H287 AromaticContact CE1-CD2 3.99Å; F275-H287 HydrophobicContact CE2-CB 3.89Å; F275-H287 HydrophobicContact CZ-CB 3.74Å; H287-G289 PolarHBondContact ND1-N 2.92Å; H287-L293 HydrophobicContact CB-CD1 3.97Å; H287-G318 PolarHBondContact CE1-O 2.89Å; H287-G318 PolarHBondContact NE2-O 2.78Å; H287-V320 VanDerWaalsContact NE2-CG2 3.25Å; H287-V320 WeakPolarHBondContact NE2-CG2 3.38Å
288	K	93.7	Very high	95.4	Very high	104 Å²	104	50 Å²	50	45%	0.452	28%	0.275	S	S	.	.	S	Bend	trans	-83	-19.3	177.4	-61.7	-179.1	-173.9	166.1	0	114.7	E261 L265 K271	E261-K288 WeakPolarHBondContact OE1-CD 3.35Å; E261-K288 WeakPolarHBondContact OE1-CE 3.29Å; E261-K288 IonicContact OE1-NZ 3.88Å; E261-K288 PolarHBondContact OE1-NZ 2.81Å; L265-K288 HydrophobicContact CD1-CD 3.95Å; K271-K288 CarbonylContact C-O 3.55Å; K271-K288 VanDerWaalsContact C-O 3.29Å; K271-K288 PolarHBondContact N-O 3.38Å
289	G	94	Very high	95.2	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.			trans	172.2	141.7	179.5	0	0	0	0	0	112.3	K271 H287 F291 T292	K271-G289 VanDerWaalsContact O-CA 3.27Å; K271-G289 WeakPolarHBondContact O-CA 3.34Å; H287-G289 PolarHBondContact ND1-N 2.92Å; G289-F291 PolarHBondContact O-N 3.13Å; G289-F291 VanDerWaalsContact O-N 3.13Å; G289-T292 PolarHBondContact O-N 3.04Å; G289-T292 VanDerWaalsContact O-N 3.11Å; G289-T292 PolarHBondContact O-OG1 3.43Å; G289-T292 VanDerWaalsContact O-OG1 3.09Å
290	W	94.4	Very high	95	Very high	25 Å²	25	53.3 Å²	53.3	10%	0.095	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-60.5	-21.3	174.9	59.1	75.9	0	0	0	113	E121 K271 K313 I315 V320	E121-W290 PolarHBondContact O-NE1 3.39Å; K271-W290 HydrophobicContact CB-CE3 4.47Å; K271-W290 HydrophobicContact CB-CH2 4.06Å; K271-W290 HydrophobicContact CB-CZ3 3.89Å; K271-W290 HydrophobicContact CD-CH2 3.59Å; K271-W290 HydrophobicContact CD-CZ2 3.98Å; K271-W290 HydrophobicContact CD-CZ3 4.3Å; K271-W290 HydrophobicContact CG-CH2 4.42Å; W290-K313 HydrophobicContact CB-CD 4.35Å; W290-K313 WeakPolarHBondContact O-CE 3.47Å; W290-K313 PolarHBondContact O-NZ 2.76Å; W290-I315 HydrophobicContact CH2-CG2 4.48Å; W290-I315 HydrophobicContact CZ2-CG2 3.85Å; W290-V320 HydrophobicContact CB-CG2 3.94Å
291	F	93.6	Very high	94.9	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.013	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-78.7	-17.3	178.6	55.9	-102.2	0	0	0	113.9	Y120 I264 L265 L268 E269 K271 G289 L293	Y120-F291 WeakPolarHBondContact CD1-O 3.5Å; Y120-F291 WeakPolarHBondContact O-CB 3.35Å; I264-F291 HydrophobicContact CG1-CD2 4.3Å; I264-F291 HydrophobicContact CG2-CD2 4.03Å; I264-F291 HydrophobicContact CG2-CE2 4.23Å; L265-F291 HydrophobicContact CD2-CE2 3.57Å; L265-F291 HydrophobicContact CD2-CZ 3.79Å; L265-F291 HydrophobicContact CG-CE2 4.39Å; L268-F291 HydrophobicContact CB-CD2 4.3Å; L268-F291 HydrophobicContact CB-CE1 4.46Å; L268-F291 HydrophobicContact CB-CE2 3.9Å; L268-F291 HydrophobicContact CB-CZ 3.98Å; L268-F291 HydrophobicContact CD1-CB 4.2Å; L268-F291 HydrophobicContact CD1-CD1 4.46Å; L268-F291 HydrophobicContact CD1-CD2 3.93Å; L268-F291 HydrophobicContact CD1-CE2 4.38Å; L268-F291 HydrophobicContact CD1-CG 3.97Å; E269-F291 WeakPolarHBondContact O-CE1 3.39Å; E269-F291 VanDerWaalsContact O-CZ 3.28Å; E269-F291 WeakPolarHBondContact O-CZ 3.28Å; K271-F291 HydrophobicContact CB-CE1 4.23Å; G289-F291 PolarHBondContact O-N 3.13Å; G289-F291 VanDerWaalsContact O-N 3.13Å; F291-L293 PolarHBondContact O-N 2.88Å
292	T	92.9	Very high	94.6	Very high	7 Å²	7	50.5 Å²	50.5	4%	0.043	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-83.4	-0.7	174.1	75.4	0	0	0	0	112.8	E261 I264 L265 G289	E261-T292 HydrophobicContact CG-CG2 4.05Å; I264-T292 HydrophobicContact CG2-CG2 4.01Å; L265-T292 HydrophobicContact CD2-CG2 4.41Å; L265-T292 HydrophobicContact CG-CG2 4.4Å; G289-T292 PolarHBondContact O-N 3.04Å; G289-T292 VanDerWaalsContact O-N 3.11Å; G289-T292 PolarHBondContact O-OG1 3.43Å; G289-T292 VanDerWaalsContact O-OG1 3.09Å
293	L	94.6	Very high	94.2	Very high	12 Å²	12	53 Å²	53	6%	0.063	30%	0.304	C	S	.	.			trans	-123.1	155	-170.4	-65.1	164.8	0	0	0	111.1	F275 H287 F291 V310 K313 V320	F275-L293 HydrophobicContact CE1-CD1 3.68Å; F275-L293 HydrophobicContact CZ-CD1 3.87Å; F275-L293 HydrophobicContact CZ-CD2 4.33Å; H287-L293 HydrophobicContact CB-CD1 3.97Å; F291-L293 PolarHBondContact O-N 2.88Å; L293-V310 HydrophobicContact CB-CG2 4.48Å; L293-V310 HydrophobicContact CD2-CG2 4.37Å; L293-K313 WeakPolarHBondContact O-CE 3.38Å; L293-K313 PolarHBondContact O-NZ 2.93Å; L293-V320 HydrophobicContact CD1-CB 4.43Å; L293-V320 HydrophobicContact CD1-CG1 4.18Å; L293-V320 HydrophobicContact CD1-CG2 4.03Å
294	T	95.6	Very high	93.9	Very high	35 Å²	35	52.1 Å²	52.1	22%	0.215	29%	0.294	C	S	.	.			trans	-134.2	150.4	176.8	-67.7	0	0	0	0	109.9	T125 G296 Q297 T395	T125-T294 HydrophobicContact CG2-CG2 3.95Å; T125-T294 VanDerWaalsContact CG2-OG1 3.3Å; T125-T294 WeakPolarHBondContact CG2-OG1 3.14Å; T125-T294 WeakPolarHBondContact OG1-CG2 3.11Å; T125-T294 PolarHBondContact OG1-OG1 3.47Å; T294-G296 PolarHBondContact O-N 2.78Å; T294-Q297 WeakPolarHBondContact O-CB 3.42Å; T294-Q297 PolarHBondContact O-N 3.5Å; T294-Q297 VanDerWaalsContact O-N 3.12Å; T294-T395 HydrophobicContact CG2-CG2 4.02Å
295	L	97.2	Very high	93.6	Very high	17 Å²	17	59.1 Å²	59.1	9%	0.089	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	141.1	177.9	-53.2	-171.1	0	0	0	110.2	Q297 V310 K313 L417	L295-Q297 PolarHBondContact O-N 2.84Å; L295-V310 HydrophobicContact CD2-CG1 3.82Å; L295-K313 HydrophobicContact CD2-CG 4.09Å; L295-L417 HydrophobicContact CD1-CD1 4.08Å
296	G	96.7	Very high	93.4	Very high	12 Å²	12	61.6 Å²	61.6	12%	0.124	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	-1.9	-174.3	0	0	0	0	0	116.1	T294 F309 V310 R392	T294-G296 PolarHBondContact O-N 2.78Å; G296-F309 WeakPolarHBondContact O-CD1 3.4Å; G296-V310 PolarHBondContact N-O 2.91Å; G296-R392 PolarHBondContact O-NH1 2.91Å; G296-R392 PolarHBondContact O-NH2 3Å
297	Q	96.4	Very high	93.4	Very high	78 Å²	78	58 Å²	58	36%	0.364	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-71	141.6	170.3	-175.6	177.2	-16.6	0	0	110.2	T294 L295 A299 F309 V310	T294-Q297 WeakPolarHBondContact O-CB 3.42Å; T294-Q297 PolarHBondContact O-N 3.5Å; T294-Q297 VanDerWaalsContact O-N 3.12Å; L295-Q297 PolarHBondContact O-N 2.84Å; Q297-A299 PolarHBondContact O-N 3.26Å; Q297-F309 WeakPolarHBondContact O-CA 3.08Å; Q297-V310 PolarHBondContact O-N 3.03Å
298	R	95.9	Very high	93.6	Very high	152 Å²	152	58.1 Å²	58.1	57%	0.574	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	117.5	173	-175.3	179.4	178.5	176	2.2	109.9	K300 A307 W308 F309	R298-K300 PolarHBondContact O-N 2.75Å; R298-A307 HydrophobicContact CG-CB 4.45Å; R298-W308 CarbonylContact C-O 3.47Å; R298-W308 WeakPolarHBondContact CA-O 3.4Å; R298-W308 WeakPolarHBondContact CG-O 3.41Å; R298-F309 HydrophobicContact CB-CD1 4.13Å; R298-F309 HydrophobicContact CB-CE1 3.91Å; R298-F309 HydrophobicContact CG-CE1 4.45Å
299	A	92.8	Very high	93.8	Very high	3 Å²	3	54.4 Å²	54.4	3%	0.025	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	119.1	167	0	0	0	0	0	108.1	F275 Q297 I301 W308 V310 V322	F275-A299 HydrophobicContact CD1-CB 4.24Å; F275-A299 HydrophobicContact CE1-CB 3.84Å; F275-A299 HydrophobicContact CZ-CB 3.98Å; Q297-A299 PolarHBondContact O-N 3.26Å; A299-I301 HydrophobicContact CB-CD1 3.97Å; A299-I301 HydrophobicContact CB-CG1 3.86Å; A299-I301 PolarHBondContact O-N 3.19Å; A299-W308 HydrophobicContact CB-CB 4.47Å; A299-W308 PolarHBondContact N-O 3.11Å; A299-V310 HydrophobicContact CB-CG2 4.38Å; A299-V322 HydrophobicContact CB-CG1 3.83Å
300	K	90.4	Very high	94	Very high	200 Å²	200	54.4 Å²	54.4	87%	0.87	30%	0.296	S	S	*	.			trans	-81	56.2	-176.2	-66.2	-178.5	-179.5	175	0	111.5	R298	R298-K300 PolarHBondContact O-N 2.75Å
301	I	91.7	Very high	94.1	Very high	26 Å²	26	53.3 Å²	53.3	13%	0.133	29%	0.292	C	S	.	.			trans	-77.5	125.6	-177.9	-52.9	179.2	0	0	0	109.3	F275 K284 A299 Q304 W308 V322	F275-I301 HydrophobicContact CB-CD1 3.8Å; F275-I301 HydrophobicContact CD2-CD1 3.98Å; F275-I301 HydrophobicContact CD2-CG1 3.86Å; F275-I301 HydrophobicContact CE2-CG1 4.24Å; F275-I301 HydrophobicContact CG-CD1 3.89Å; F275-I301 HydrophobicContact CG-CG1 4.27Å; K284-I301 HydrophobicContact CB-CD1 3.98Å; K284-I301 HydrophobicContact CB-CG2 4.34Å; K284-I301 WeakPolarHBondContact O-CG2 3.25Å; A299-I301 HydrophobicContact CB-CD1 3.97Å; A299-I301 HydrophobicContact CB-CG1 3.86Å; A299-I301 PolarHBondContact O-N 3.19Å; I301-Q304 HydrophobicContact CB-CG 4Å; I301-Q304 HydrophobicContact CG2-CG 3.67Å; I301-W308 HydrophobicContact CD1-CB 4.06Å; I301-W308 HydrophobicContact CD1-CG 4.33Å; I301-V322 HydrophobicContact CD1-CG2 4.13Å
302	G	89.8	Confident	94.3	Very high	64 Å²	64	56.3 Å²	56.3	66%	0.66	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	156.2	178	0	0	0	0	0	113	Q304	G302-Q304 PolarHBondContact O-N 2.82Å; G302-Q304 VanDerWaalsContact O-N 3.15Å
303	G	88.6	Confident	94.5	Very high	89 Å²	89	57.1 Å²	57.1	92%	0.918	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	2	174.2	0	0	0	0	0	116.2
304	Q	90.1	Very high	94.5	Very high	73 Å²	73	58.9 Å²	58.9	34%	0.341	32%	0.32	S	S	.	.			trans	-86.8	136.4	179.6	-59.7	-58.3	-39.7	0	0	111.7	I301 G302 W308	I301-Q304 HydrophobicContact CB-CG 4Å; I301-Q304 HydrophobicContact CG2-CG 3.67Å; G302-Q304 PolarHBondContact O-N 2.82Å; G302-Q304 VanDerWaalsContact O-N 3.15Å; Q304-W308 VanDerWaalsContact OE1-NE1 3.14Å
305	K	90.1	Very high	94.4	Very high	197 Å²	197	60.8 Å²	60.8	86%	0.857	33%	0.329	S	S	*	.	S	Bend	trans	-63.9	-48.1	174.3	-178.1	-172.6	175.6	-169.5	0	111.4
306	D	92.7	Very high	94.3	Very high	78 Å²	78	66.6 Å²	66.6	42%	0.417	37%	0.365	S	S	.	.	S	Bend	trans	-100.6	156.9	-177.6	-65.2	-72.1	0	0	0	111.6	W308 P324	D306-W308 VanDerWaalsContact O-CD1 3.27Å; D306-W308 PolarHBondContact O-N 3.49Å; D306-P324 HydrophobicContact CB-CB 4.47Å
307	A	95.8	Very high	94.2	Very high	28 Å²	28	70 Å²	70	23%	0.231	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-74	123.1	172.5	0	0	0	0	0	110.1	R298 F309 T325	R298-A307 HydrophobicContact CG-CB 4.45Å; A307-F309 HydrophobicContact CB-CE2 3.78Å; A307-F309 HydrophobicContact CB-CZ 4.12Å; A307-F309 WeakPolarHBondContact O-CD2 3.46Å; A307-F309 VanDerWaalsContact O-CE2 3.26Å; A307-F309 WeakPolarHBondContact O-CE2 3.5Å; A307-T325 PolarHBondContact O-N 2.91Å
308	W	97.6	Very high	94.2	Very high	17 Å²	17	66.6 Å²	66.6	6%	0.064	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	145.9	175.4	-72.2	75.7	0	0	0	111.6	K284 R298 A299 I301 Q304 D306 V322 A323 P324	K284-W308 HydrophobicContact CD-CH2 4.32Å; K284-W308 HydrophobicContact CD-CZ2 4.34Å; K284-W308 HydrophobicContact CG-CH2 4.33Å; K284-W308 HydrophobicContact CG-CZ3 4.36Å; R298-W308 CarbonylContact C-O 3.47Å; R298-W308 WeakPolarHBondContact CA-O 3.4Å; R298-W308 WeakPolarHBondContact CG-O 3.41Å; A299-W308 HydrophobicContact CB-CB 4.47Å; A299-W308 PolarHBondContact N-O 3.11Å; I301-W308 HydrophobicContact CD1-CB 4.06Å; I301-W308 HydrophobicContact CD1-CG 4.33Å; Q304-W308 VanDerWaalsContact OE1-NE1 3.14Å; D306-W308 VanDerWaalsContact O-CD1 3.27Å; D306-W308 PolarHBondContact O-N 3.49Å; W308-V322 HydrophobicContact CE3-CB 3.9Å; W308-V322 HydrophobicContact CE3-CG2 3.6Å; W308-V322 HydrophobicContact CZ3-CG2 4.1Å; W308-A323 CarbonylContact C-O 3.6Å; W308-A323 WeakPolarHBondContact CA-O 3.27Å; W308-P324 HydrophobicContact CD2-CB 4.32Å; W308-P324 HydrophobicContact CH2-CB 4.29Å; W308-P324 HydrophobicContact CH2-CG 4.2Å; W308-P324 HydrophobicContact CZ2-CB 4.05Å; W308-P324 HydrophobicContact CZ2-CG 4.39Å; W308-P324 HydrophobicContact CZ3-CG 4.47Å
309	F	98.3	Very high	94.2	Very high	26 Å²	26	60.9 Å²	60.9	11%	0.114	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.4	-177.5	-64.5	-93.3	0	0	0	110.9	G296 Q297 R298 A307 V311 V322 A323 T325 L331	G296-F309 WeakPolarHBondContact O-CD1 3.4Å; Q297-F309 WeakPolarHBondContact O-CA 3.08Å; R298-F309 HydrophobicContact CB-CD1 4.13Å; R298-F309 HydrophobicContact CB-CE1 3.91Å; R298-F309 HydrophobicContact CG-CE1 4.45Å; A307-F309 HydrophobicContact CB-CE2 3.78Å; A307-F309 HydrophobicContact CB-CZ 4.12Å; A307-F309 WeakPolarHBondContact O-CD2 3.46Å; A307-F309 VanDerWaalsContact O-CE2 3.26Å; A307-F309 WeakPolarHBondContact O-CE2 3.5Å; F309-V311 PolarHBondContact O-N 2.85Å; F309-V322 CarbonylContact O-C 3.43Å; F309-V322 WeakPolarHBondContact O-CA 3.49Å; F309-A323 PolarHBondContact N-O 3.15Å; F309-A323 PolarHBondContact O-N 2.83Å; F309-T325 VanDerWaalsContact CD2-C 3.43Å; F309-T325 WeakPolarHBondContact CD2-O 3.47Å; F309-T325 VanDerWaalsContact CE2-C 3.43Å; F309-L331 HydrophobicContact CB-CD1 4.19Å; F309-L331 HydrophobicContact CB-CD2 4.3Å
310	V	98.3	Very high	94.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.6	175.3	177.4	0	0	0	0	109.7	F275 L293 L295 G296 Q297 A299 K313 V320 F321 V322 L331	F275-V310 HydrophobicContact CE1-CG2 4.45Å; L293-V310 HydrophobicContact CB-CG2 4.48Å; L293-V310 HydrophobicContact CD2-CG2 4.37Å; L295-V310 HydrophobicContact CD2-CG1 3.82Å; G296-V310 PolarHBondContact N-O 2.91Å; Q297-V310 PolarHBondContact O-N 3.03Å; A299-V310 HydrophobicContact CB-CG2 4.38Å; V310-K313 HydrophobicContact CG1-CG 4.48Å; V310-V320 HydrophobicContact CB-CG1 4.27Å; V310-V320 HydrophobicContact CG1-CG1 3.55Å; V310-V320 HydrophobicContact CG2-CG1 3.85Å; V310-F321 WeakPolarHBondContact CA-O 3.4Å; V310-V322 HydrophobicContact CG2-CG1 4.33Å; V310-L331 WeakPolarHBondContact O-CD2 3.37Å
311	V	98	Very high	94.8	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-27.3	-177.4	-57.3	0	0	0	0	113.9	I278 F309 F321 A323 A330 L331	I278-V311 HydrophobicContact CB-CG2 3.99Å; I278-V311 HydrophobicContact CG1-CG2 4.19Å; I278-V311 HydrophobicContact CG2-CG2 4.11Å; F309-V311 PolarHBondContact O-N 2.85Å; V311-F321 HydrophobicContact CG2-CB 3.93Å; V311-F321 PolarHBondContact N-O 2.69Å; V311-A323 HydrophobicContact CG1-CB 3.53Å; V311-A323 HydrophobicContact CG2-CB 4.49Å; V311-A330 HydrophobicContact CB-CB 4.01Å; V311-A330 HydrophobicContact CG1-CB 4.12Å; V311-A330 HydrophobicContact CG2-CB 4.16Å; V311-L331 HydrophobicContact CG1-CD2 3.78Å; V311-L331 HydrophobicContact CG1-CG 3.86Å
312	D	97.1	Very high	95.2	Very high	65 Å²	65	52.6 Å²	52.6	35%	0.348	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	172.8	175.7	-135.4	-43.4	0	0	0	110.9	F321 R333	D312-F321 HydrophobicContact CB-CB 4.02Å; D312-F321 HydrophobicContact CB-CD2 4.09Å; D312-F321 HydrophobicContact CB-CG 4.45Å; D312-F321 PolarHBondContact N-O 3.45Å; D312-F321 PolarHBondContact O-N 3.09Å; D312-R333 IonicContact OD2-NH2 3.93Å; D312-R333 PolarHBondContact OD2-NH2 2.97Å
313	K	96.4	Very high	95.5	Very high	24 Å²	24	49.5 Å²	49.5	10%	0.104	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	130.8	178.6	-55.6	176.7	-176.3	-177	0	110.8	G123 W290 L293 L295 V310 V320	G123-K313 WeakPolarHBondContact O-CD 3.45Å; G123-K313 PolarHBondContact O-NZ 2.96Å; W290-K313 HydrophobicContact CB-CD 4.35Å; W290-K313 WeakPolarHBondContact O-CE 3.47Å; W290-K313 PolarHBondContact O-NZ 2.76Å; L293-K313 WeakPolarHBondContact O-CE 3.38Å; L293-K313 PolarHBondContact O-NZ 2.93Å; L295-K313 HydrophobicContact CD2-CG 4.09Å; V310-K313 HydrophobicContact CG1-CG 4.48Å; K313-V320 HydrophobicContact CG-CG2 4.32Å
314	D	95.5	Very high	95.9	Very high	49 Å²	49	46.1 Å²	46.1	26%	0.262	24%	0.242	S	C	.	.			trans	-104.3	116.1	167.9	-179	4.4	0	0	0	110	V316 T317 G318 D319 F321	D314-V316 VanDerWaalsContact C-N 3.35Å; D314-V316 WeakPolarHBondContact OD1-CB 3.28Å; D314-V316 PolarHBondContact OD1-N 3.15Å; D314-T317 VanDerWaalsContact CB-OG1 3.31Å; D314-T317 WeakPolarHBondContact CB-OG1 3.34Å; D314-T317 PolarHBondContact OD1-N 2.93Å; D314-T317 WeakPolarHBondContact OD2-CB 3.42Å; D314-T317 WeakPolarHBondContact OD2-CG2 3.39Å; D314-T317 PolarHBondContact OD2-OG1 3.31Å; D314-G318 CarbonylContact O-C 3.58Å; D314-G318 WeakPolarHBondContact O-CA 3.44Å; D314-G318 PolarHBondContact O-N 2.92Å; D314-D319 PolarHBondContact N-O 2.77Å; D314-D319 PolarHBondContact O-N 3.4Å; D314-F321 HydrophobicContact CB-CE2 3.99Å
315	I	93.9	Very high	96.2	Very high	76 Å²	76	45.7 Å²	45.7	39%	0.39	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-17.9	-177.1	-56.1	146.9	0	0	0	110.8	K122 W290	K122-I315 VanDerWaalsContact C-CD1 3.45Å; K122-I315 WeakPolarHBondContact O-CD1 3.46Å; W290-I315 HydrophobicContact CH2-CG2 4.48Å; W290-I315 HydrophobicContact CZ2-CG2 3.85Å
316	V	94.2	Very high	96.4	Very high	139 Å²	139	39.3 Å²	39.3	84%	0.842	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-46.9	-179.4	-176.5	0	0	0	0	110.6	D314	D314-V316 VanDerWaalsContact C-N 3.35Å; D314-V316 WeakPolarHBondContact OD1-CB 3.28Å; D314-V316 PolarHBondContact OD1-N 3.15Å
317	T	95	Very high	96.6	Very high	84 Å²	84	41.1 Å²	41.1	52%	0.515	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-28	173.1	54.2	0	0	0	0	112.4	D314 D319	D314-T317 VanDerWaalsContact CB-OG1 3.31Å; D314-T317 WeakPolarHBondContact CB-OG1 3.34Å; D314-T317 PolarHBondContact OD1-N 2.93Å; D314-T317 WeakPolarHBondContact OD2-CB 3.42Å; D314-T317 WeakPolarHBondContact OD2-CG2 3.39Å; D314-T317 PolarHBondContact OD2-OG1 3.31Å; T317-D319 VanDerWaalsContact C-N 3.32Å; T317-D319 PolarHBondContact OG1-N 3.11Å
318	G	95.1	Very high	96.7	Very high	5 Å²	5	40.4 Å²	40.4	5%	0.052	22%	0.224	C	C	.	.			trans	85	2.4	-171.8	0	0	0	0	0	113.8	H287 D314	H287-G318 PolarHBondContact CE1-O 2.89Å; H287-G318 PolarHBondContact NE2-O 2.78Å; D314-G318 CarbonylContact O-C 3.58Å; D314-G318 WeakPolarHBondContact O-CA 3.44Å; D314-G318 PolarHBondContact O-N 2.92Å
319	D	97.4	Very high	96.8	Very high	32 Å²	32	41.4 Å²	41.4	17%	0.171	23%	0.232	C	C	.	.			trans	-78.9	142.6	-179.7	-72.8	-25.5	0	0	0	112.5	N274 V276 D314 T317	N274-D319 VanDerWaalsContact CB-OD1 3.22Å; N274-D319 WeakPolarHBondContact CB-OD1 3.38Å; N274-D319 PolarHBondContact N-OD1 3.49Å; N274-D319 PolarHBondContact ND2-OD1 2.83Å; V276-D319 HydrophobicContact CG2-CB 3.87Å; D314-D319 PolarHBondContact N-O 2.77Å; D314-D319 PolarHBondContact O-N 3.4Å; T317-D319 VanDerWaalsContact C-N 3.32Å; T317-D319 PolarHBondContact OG1-N 3.11Å
320	V	98.1	Very high	96.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.3	174.8	174	0	0	0	0	109.7	N274 F275 V276 H287 W290 L293 V310 K313	N274-V320 PolarHBondContact O-N 2.87Å; F275-V320 WeakPolarHBondContact CA-O 3.4Å; F275-V320 HydrophobicContact CD1-CB 4.08Å; F275-V320 HydrophobicContact CD1-CG1 4.05Å; F275-V320 HydrophobicContact CE1-CB 4.26Å; F275-V320 HydrophobicContact CE1-CG1 4.01Å; V276-V320 PolarHBondContact N-O 3.28Å; H287-V320 VanDerWaalsContact NE2-CG2 3.25Å; H287-V320 WeakPolarHBondContact NE2-CG2 3.38Å; W290-V320 HydrophobicContact CB-CG2 3.94Å; L293-V320 HydrophobicContact CD1-CB 4.43Å; L293-V320 HydrophobicContact CD1-CG1 4.18Å; L293-V320 HydrophobicContact CD1-CG2 4.03Å; V310-V320 HydrophobicContact CB-CG1 4.27Å; V310-V320 HydrophobicContact CG1-CG1 3.55Å; V310-V320 HydrophobicContact CG2-CG1 3.85Å; K313-V320 HydrophobicContact CG-CG2 4.32Å
321	F	98.2	Very high	96.7	Very high	55 Å²	55	40.3 Å²	40.3	24%	0.241	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	133.7	179.4	-66.7	-77.1	0	0	0	111.2	V276 I278 V310 V311 D312 D314	V276-F321 HydrophobicContact CB-CD1 4.07Å; V276-F321 HydrophobicContact CB-CE1 4.13Å; V276-F321 HydrophobicContact CG1-CD1 4.13Å; V276-F321 HydrophobicContact CG1-CE1 3.92Å; V276-F321 CarbonylContact O-C 3.59Å; V276-F321 VanDerWaalsContact O-CA 3.25Å; V276-F321 WeakPolarHBondContact O-CA 3.43Å; I278-F321 HydrophobicContact CD1-CB 4.14Å; I278-F321 HydrophobicContact CD1-CD1 3.84Å; I278-F321 HydrophobicContact CD1-CG 4.03Å; V310-F321 WeakPolarHBondContact CA-O 3.4Å; V311-F321 HydrophobicContact CG2-CB 3.93Å; V311-F321 PolarHBondContact N-O 2.69Å; D312-F321 HydrophobicContact CB-CB 4.02Å; D312-F321 HydrophobicContact CB-CD2 4.09Å; D312-F321 HydrophobicContact CB-CG 4.45Å; D312-F321 PolarHBondContact N-O 3.45Å; D312-F321 PolarHBondContact O-N 3.09Å; D314-F321 HydrophobicContact CB-CE2 3.99Å
322	V	98.4	Very high	96.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.1	-179.2	-67.9	0	0	0	0	111.8	F275 V276 S277 I278 A299 I301 W308 F309 V310	F275-V322 HydrophobicContact CB-CG1 4.36Å; F275-V322 HydrophobicContact CB-CG2 4.13Å; F275-V322 HydrophobicContact CD1-CG1 3.53Å; F275-V322 HydrophobicContact CE1-CG1 4.15Å; F275-V322 HydrophobicContact CG-CG1 4.26Å; V276-V322 WeakPolarHBondContact O-CG2 3.17Å; V276-V322 PolarHBondContact O-N 2.81Å; S277-V322 WeakPolarHBondContact CA-O 3.46Å; I278-V322 PolarHBondContact N-O 2.82Å; A299-V322 HydrophobicContact CB-CG1 3.83Å; I301-V322 HydrophobicContact CD1-CG2 4.13Å; W308-V322 HydrophobicContact CE3-CB 3.9Å; W308-V322 HydrophobicContact CE3-CG2 3.6Å; W308-V322 HydrophobicContact CZ3-CG2 4.1Å; F309-V322 CarbonylContact O-C 3.43Å; F309-V322 WeakPolarHBondContact O-CA 3.49Å; V310-V322 HydrophobicContact CG2-CG1 4.33Å
323	A	97.7	Very high	96.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154	174.3	0	0	0	0	0	111.9	I278 W308 F309 V311 H328	I278-A323 HydrophobicContact CG2-CB 3.72Å; W308-A323 CarbonylContact C-O 3.6Å; W308-A323 WeakPolarHBondContact CA-O 3.27Å; F309-A323 PolarHBondContact N-O 3.15Å; F309-A323 PolarHBondContact O-N 2.83Å; V311-A323 HydrophobicContact CG1-CB 3.53Å; V311-A323 HydrophobicContact CG2-CB 4.49Å; A323-H328 HydrophobicContact CB-CB 3.88Å; A323-H328 VanDerWaalsContact CB-ND1 3.28Å; A323-H328 WeakPolarHBondContact CB-ND1 3.32Å
324	P	96.8	Very high	96.9	Very high	18 Å²	18	40.9 Å²	40.9	12%	0.117	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	146.4	-179.8	32.9	-33.9	0	0	0	111.6	E279 D306 W308 H328	E279-P324 WeakPolarHBondContact OE1-CG 3.37Å; E279-P324 WeakPolarHBondContact OE2-CG 3.48Å; D306-P324 HydrophobicContact CB-CB 4.47Å; W308-P324 HydrophobicContact CD2-CB 4.32Å; W308-P324 HydrophobicContact CH2-CB 4.29Å; W308-P324 HydrophobicContact CH2-CG 4.2Å; W308-P324 HydrophobicContact CZ2-CB 4.05Å; W308-P324 HydrophobicContact CZ2-CG 4.39Å; W308-P324 HydrophobicContact CZ3-CG 4.47Å; P324-H328 WeakPolarHBondContact O-CB 3.4Å
325	T	95.8	Very high	97	Very high	64 Å²	64	40.1 Å²	40.1	39%	0.393	23%	0.226	S	C	.	.	S	Bend	trans	69.2	156.6	179.8	86.7	0	0	0	0	115.5	A307 F309 N327	A307-T325 PolarHBondContact O-N 2.91Å; F309-T325 VanDerWaalsContact CD2-C 3.43Å; F309-T325 WeakPolarHBondContact CD2-O 3.47Å; F309-T325 VanDerWaalsContact CE2-C 3.43Å; T325-N327 VanDerWaalsContact C-N 3.26Å; T325-N327 PolarHBondContact O-N 3.11Å
326	T	95.3	Very high	97.2	Very high	63 Å²	63	36.5 Å²	36.5	39%	0.387	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.1	-178	-168.6	0	0	0	0	114.1	L331 R392	T326-L331 WeakPolarHBondContact O-CD1 3.47Å; T326-R392 PolarHBondContact O-NE 3.25Å; T326-R392 PolarHBondContact OG1-NE 3.26Å; T326-R392 PolarHBondContact OG1-NH2 3.09Å
327	N	96.6	Very high	97.4	Very high	116 Å²	116	33.2 Å²	33.2	62%	0.62	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.9	10.3	-174.6	-68.5	-16.9	0	0	0	112.8	T325	T325-N327 VanDerWaalsContact C-N 3.26Å; T325-N327 PolarHBondContact O-N 3.11Å
328	H	97.9	Very high	97.5	Very high	13 Å²	13	29.2 Å²	29.2	6%	0.06	16%	0.156	C	C	.	.			trans	-59.1	131.9	-179.5	-172.2	-92.9	0	0	0	112.2	E279 A323 P324 A330 L331 F332 F422	E279-H328 IonicContact OE1-CD2 2.77Å; E279-H328 IonicContact OE1-NE2 3.09Å; E279-H328 PolarHBondContact OE1-NE2 3.45Å; A323-H328 HydrophobicContact CB-CB 3.88Å; A323-H328 VanDerWaalsContact CB-ND1 3.28Å; A323-H328 WeakPolarHBondContact CB-ND1 3.32Å; P324-H328 WeakPolarHBondContact O-CB 3.4Å; H328-A330 VanDerWaalsContact ND1-CB 3.26Å; H328-A330 WeakPolarHBondContact ND1-CB 3.45Å; H328-A330 PolarHBondContact ND1-N 3.09Å; H328-A330 VanDerWaalsContact ND1-N 3.11Å; H328-A330 PolarHBondContact O-N 3.13Å; H328-L331 HydrophobicContact CB-CD1 4.46Å; H328-L331 WeakPolarHBondContact O-CB 3.28Å; H328-L331 PolarHBondContact O-N 3.12Å; H328-F332 WeakPolarHBondContact O-CD2 3.37Å; H328-F422 AromaticContact CE1-CD2 3.59Å; H328-F422 AromaticContact CE1-CE2 3.73Å; H328-F422 AromaticContact CE1-CG 3.98Å; H328-F422 AromaticContact NE2-CD2 3.94Å; H328-F422 AromaticContact NE2-CE2 3.79Å
329	P	97.8	Very high	97.7	Very high	38 Å²	38	31.8 Å²	31.8	25%	0.247	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-56.6	-25.2	-174.5	-27.2	35.3	0	0	0	115.2	L331 F332 E421 F422	P329-L331 PolarHBondContact O-N 3.33Å; P329-F332 PolarHBondContact O-N 3Å; P329-E421 HydrophobicContact CB-CB 4.25Å; P329-E421 HydrophobicContact CB-CG 4.2Å; P329-F422 HydrophobicContact CB-CB 3.97Å
330	A	97.8	Very high	97.6	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-67.7	-16	176.7	0	0	0	0	0	113.8	I278 V311 H328 F332 R333 F422	I278-A330 HydrophobicContact CG2-CB 4.16Å; V311-A330 HydrophobicContact CB-CB 4.01Å; V311-A330 HydrophobicContact CG1-CB 4.12Å; V311-A330 HydrophobicContact CG2-CB 4.16Å; H328-A330 VanDerWaalsContact ND1-CB 3.26Å; H328-A330 WeakPolarHBondContact ND1-CB 3.45Å; H328-A330 PolarHBondContact ND1-N 3.09Å; H328-A330 VanDerWaalsContact ND1-N 3.11Å; H328-A330 PolarHBondContact O-N 3.13Å; A330-F332 VanDerWaalsContact C-N 3.32Å; A330-R333 PolarHBondContact O-NH1 3.2Å; A330-F422 HydrophobicContact CB-CB 3.75Å; A330-F422 HydrophobicContact CB-CD1 4.22Å; A330-F422 HydrophobicContact CB-CG 4.1Å
331	L	98.1	Very high	97.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-78.1	-15.9	171.2	-70.3	166.6	0	0	0	112.7	F309 V310 V311 T326 H328 P329 R392 A393	F309-L331 HydrophobicContact CB-CD1 4.19Å; F309-L331 HydrophobicContact CB-CD2 4.3Å; V310-L331 WeakPolarHBondContact O-CD2 3.37Å; V311-L331 HydrophobicContact CG1-CD2 3.78Å; V311-L331 HydrophobicContact CG1-CG 3.86Å; T326-L331 WeakPolarHBondContact O-CD1 3.47Å; H328-L331 HydrophobicContact CB-CD1 4.46Å; H328-L331 WeakPolarHBondContact O-CB 3.28Å; H328-L331 PolarHBondContact O-N 3.12Å; P329-L331 PolarHBondContact O-N 3.33Å; L331-R392 HydrophobicContact CB-CG 4.1Å; L331-R392 CarbonylContact O-C 3.29Å; L331-R392 WeakPolarHBondContact O-CA 3.41Å; L331-A393 PolarHBondContact O-N 2.93Å
332	F	98.4	Very high	97.6	Very high	41 Å²	41	39.6 Å²	39.6	18%	0.18	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.7	-167.9	-69.7	-90.3	0	0	0	111.6	H328 P329 A330 L390 R392 S420 E421	H328-F332 WeakPolarHBondContact O-CD2 3.37Å; P329-F332 PolarHBondContact O-N 3Å; A330-F332 VanDerWaalsContact C-N 3.32Å; F332-L390 HydrophobicContact CB-CB 4.08Å; F332-L390 HydrophobicContact CB-CD1 4.17Å; F332-L390 HydrophobicContact CB-CD2 4.34Å; F332-L390 HydrophobicContact CB-CG 4.44Å; F332-L390 HydrophobicContact CD1-CB 4.06Å; F332-R392 HydrophobicContact CD1-CB 4.1Å; F332-R392 HydrophobicContact CE1-CB 3.64Å; F332-R392 HydrophobicContact CE1-CG 4.06Å; F332-R392 HydrophobicContact CE2-CG 4.28Å; F332-R392 HydrophobicContact CZ-CB 3.99Å; F332-R392 HydrophobicContact CZ-CG 3.87Å; F332-S420 WeakPolarHBondContact O-CA 3.23Å; F332-E421 HydrophobicContact CB-CB 4.42Å; F332-E421 PolarHBondContact O-N 2.95Å
333	R	98.2	Very high	97.6	Very high	13 Å²	13	40.3 Å²	40.3	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	150.1	-179.6	-73.7	174.5	179.5	80.6	-14.1	108.9	D312 A330 A391 L394 G418	D312-R333 IonicContact OD2-NH2 3.93Å; D312-R333 PolarHBondContact OD2-NH2 2.97Å; A330-R333 PolarHBondContact O-NH1 3.2Å; R333-A391 PolarHBondContact N-O 3.31Å; R333-A391 VanDerWaalsContact N-O 3.13Å; R333-A391 PolarHBondContact O-N 2.85Å; R333-L394 HydrophobicContact CB-CD1 3.74Å; R333-L394 WeakPolarHBondContact O-CD1 3.35Å; R333-G418 WeakPolarHBondContact CD-O 3.26Å; R333-G418 PolarHBondContact NE-O 2.97Å
334	D	97.9	Very high	97.5	Very high	50 Å²	50	40.5 Å²	40.5	27%	0.267	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-13.5	177.8	54.9	14.6	0	0	0	113.3	L387 L390	D334-L387 VanDerWaalsContact O-CB 3.27Å; D334-L387 WeakPolarHBondContact O-CB 3.49Å; D334-L387 WeakPolarHBondContact O-CG 3.43Å; D334-L387 PolarHBondContact O-N 3.49Å; D334-L390 HydrophobicContact CB-CD2 4.11Å
335	T	98.1	Very high	97.3	Very high	33 Å²	33	41.1 Å²	41.1	20%	0.202	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.6	-168.3	-53.9	0	0	0	0	111.3	W384 I385 G418	T335-W384 HydrophobicContact CG2-CE3 3.76Å; T335-W384 HydrophobicContact CG2-CZ3 3.84Å; T335-I385 WeakPolarHBondContact CA-O 3.12Å; T335-G418 PolarHBondContact O-N 3.01Å
336	V	98.3	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.9	171.5	-62.4	0	0	0	0	112.3	F362 I385 L394 I414 L417	V336-F362 HydrophobicContact CG2-CE2 4.28Å; V336-I385 HydrophobicContact CG2-CB 3.84Å; V336-I385 HydrophobicContact CG2-CD1 4.09Å; V336-I385 HydrophobicContact CG2-CG1 4.26Å; V336-I385 PolarHBondContact N-O 2.94Å; V336-I385 PolarHBondContact O-N 3.18Å; V336-L394 HydrophobicContact CG1-CB 4.19Å; V336-L394 HydrophobicContact CG1-CD1 3.69Å; V336-L394 HydrophobicContact CG1-CD2 3.96Å; V336-L394 HydrophobicContact CG1-CG 4.17Å; V336-I414 HydrophobicContact CB-CG2 4.24Å; V336-I414 HydrophobicContact CG1-CG2 4.23Å; V336-L417 HydrophobicContact CG1-CD2 3.83Å
337	R	98.3	Very high	96.9	Very high	69 Å²	69	40.7 Å²	40.7	26%	0.26	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142	165.3	-164.3	-173.7	172.2	168.6	-3.5	110.2	D380 S382 V383 W384 T415 Q416	R337-D380 IonicContact CZ-OD2 2.64Å; R337-D380 IonicContact NH2-OD2 2.78Å; R337-D380 PolarHBondContact NH2-OD2 2.99Å; R337-S382 PolarHBondContact NE-OG 2.77Å; R337-S382 VanDerWaalsContact NE-OG 3.16Å; R337-S382 PolarHBondContact NH2-OG 3.16Å; R337-S382 VanDerWaalsContact NH2-OG 3.16Å; R337-V383 WeakPolarHBondContact CA-O 3.49Å; R337-W384 HydrophobicContact CB-CD2 3.9Å; R337-W384 HydrophobicContact CB-CE3 3.75Å; R337-W384 HydrophobicContact CB-CH2 3.89Å; R337-W384 HydrophobicContact CB-CZ2 4.05Å; R337-W384 HydrophobicContact CB-CZ3 3.74Å; R337-W384 HydrophobicContact CG-CD2 3.99Å; R337-W384 HydrophobicContact CG-CE3 4.36Å; R337-W384 HydrophobicContact CG-CG 4.43Å; R337-W384 HydrophobicContact CG-CZ2 4.17Å; R337-T415 PolarHBondContact O-N 3.35Å; R337-T415 PolarHBondContact O-OG1 3.32Å; R337-Q416 HydrophobicContact CB-CB 4.14Å; R337-Q416 PolarHBondContact N-O 2.71Å; R337-Q416 PolarHBondContact O-N 2.97Å
338	T	98.4	Very high	96.7	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	172.8	171.7	66.3	0	0	0	0	112.7	F341 S382 V383 I385 A400 K413 T415	T338-F341 HydrophobicContact CG2-CD2 4.27Å; T338-S382 WeakPolarHBondContact O-CB 3.38Å; T338-V383 PolarHBondContact N-O 3.3Å; T338-V383 PolarHBondContact OG1-N 3.28Å; T338-I385 HydrophobicContact CG2-CD1 4.23Å; T338-A400 HydrophobicContact CG2-CB 3.73Å; T338-K413 CarbonylContact C-O 3.47Å; T338-K413 WeakPolarHBondContact CA-O 3.35Å; T338-T415 VanDerWaalsContact C-OG1 3.23Å; T338-T415 PolarHBondContact O-OG1 3.36Å
339	D	97.3	Very high	96.5	Very high	58 Å²	58	38 Å²	38	31%	0.31	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-169.9	151.5	59	5.6	0	0	0	111.1	F341 S382 K413 T415	D339-F341 PolarHBondContact O-N 3.18Å; D339-F341 VanDerWaalsContact O-N 3.11Å; D339-S382 WeakPolarHBondContact O-CA 3.47Å; D339-K413 PolarHBondContact N-O 2.93Å; D339-K413 PolarHBondContact OD1-N 2.95Å; D339-K413 WeakPolarHBondContact OD2-CB 3.35Å; D339-K413 WeakPolarHBondContact OD2-CE 3.41Å; D339-T415 HydrophobicContact CB-CG2 3.81Å
340	R	97.4	Very high	96.2	Very high	200 Å²	200	39.8 Å²	39.8	76%	0.755	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.8	118.4	177.9	-180	174.3	179	168.6	2.9	110.1	G381	R340-G381 WeakPolarHBondContact CA-O 3.37Å
341	F	98	Very high	96	Very high	9 Å²	9	43.1 Å²	43.1	4%	0.039	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-71.3	132.9	-172	-157.3	-84.1	0	0	0	111.1	T338 D339 W343 G381 V383 L402 G410 S411 G412	T338-F341 HydrophobicContact CG2-CD2 4.27Å; D339-F341 PolarHBondContact O-N 3.18Å; D339-F341 VanDerWaalsContact O-N 3.11Å; F341-W343 HydrophobicContact CB-CZ2 4.33Å; F341-W343 AromaticContact CD1-CD2 3.6Å; F341-W343 HydrophobicContact CD1-CD2 3.6Å; F341-W343 AromaticContact CD1-CE2 3.4Å; F341-W343 VanDerWaalsContact CD1-CE2 3.4Å; F341-W343 AromaticContact CD1-CE3 3.88Å; F341-W343 HydrophobicContact CD1-CE3 3.88Å; F341-W343 HydrophobicContact CD1-CG 4.19Å; F341-W343 AromaticContact CD1-CH2 3.86Å; F341-W343 HydrophobicContact CD1-CH2 3.86Å; F341-W343 AromaticContact CD1-CZ2 3.56Å; F341-W343 HydrophobicContact CD1-CZ2 3.56Å; F341-W343 HydrophobicContact CD1-CZ3 4.01Å; F341-W343 AromaticContact CD1-NE1 3.85Å; F341-W343 AromaticContact CE1-CD2 3.97Å; F341-W343 HydrophobicContact CE1-CD2 3.97Å; F341-W343 AromaticContact CE1-CE3 3.74Å; F341-W343 HydrophobicContact CE1-CE3 3.74Å; F341-W343 AromaticContact CE1-CH2 3.86Å; F341-W343 HydrophobicContact CE1-CH2 3.86Å; F341-W343 HydrophobicContact CE1-CZ2 4.06Å; F341-W343 AromaticContact CE1-CZ3 3.69Å; F341-W343 HydrophobicContact CE1-CZ3 3.69Å; F341-W343 HydrophobicContact CG-CZ2 4.04Å; F341-G381 PolarHBondContact N-O 3.05Å; F341-V383 HydrophobicContact CB-CB 4.34Å; F341-V383 HydrophobicContact CB-CG2 3.67Å; F341-V383 HydrophobicContact CD2-CB 3.98Å; F341-V383 HydrophobicContact CD2-CG1 4.39Å; F341-V383 HydrophobicContact CD2-CG2 3.99Å; F341-V383 HydrophobicContact CG-CB 4.44Å; F341-V383 HydrophobicContact CG-CG2 3.96Å; F341-L402 HydrophobicContact CE1-CD1 4.16Å; F341-L402 HydrophobicContact CE2-CD1 3.72Å; F341-L402 HydrophobicContact CE2-CG 3.95Å; F341-L402 HydrophobicContact CZ-CB 4Å; F341-L402 HydrophobicContact CZ-CD1 3.43Å; F341-L402 VanDerWaalsContact CZ-CD1 3.43Å; F341-L402 HydrophobicContact CZ-CG 3.57Å; F341-G410 VanDerWaalsContact CE1-C 3.49Å; F341-S411 VanDerWaalsContact CE2-C 3.48Å; F341-G412 VanDerWaalsContact CE2-N 3.34Å
342	H	98.1	Very high	95.8	Very high	42 Å²	42	43 Å²	43	19%	0.194	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119	173.9	178	93.4	0	0	0	109.2	S209 Q210 I211 G410 S411	S209-H342 PolarHBondContact O-CD2 2.97Å; Q210-H342 PolarHBondContact O-CE1 2.83Å; Q210-H342 PolarHBondContact O-NE2 3.47Å; I211-H342 PolarHBondContact O-CE1 3.08Å; I211-H342 PolarHBondContact O-NE2 2.91Å; H342-G410 CarbonylContact O-C 3.51Å; H342-G410 VanDerWaalsContact O-CA 3.25Å; H342-G410 WeakPolarHBondContact O-CA 3.36Å; H342-S411 WeakPolarHBondContact CB-O 3.42Å; H342-S411 PolarHBondContact N-O 2.93Å; H342-S411 PolarHBondContact O-N 3.44Å
343	W	97.4	Very high	95.5	Very high	16 Å²	16	44.7 Å²	44.7	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.6	174.9	-58	98.2	0	0	0	109.7	F341 A345 S346 D347 P348 P349 L352 V383 L402 L409	F341-W343 HydrophobicContact CB-CZ2 4.33Å; F341-W343 AromaticContact CD1-CD2 3.6Å; F341-W343 HydrophobicContact CD1-CD2 3.6Å; F341-W343 AromaticContact CD1-CE2 3.4Å; F341-W343 VanDerWaalsContact CD1-CE2 3.4Å; F341-W343 AromaticContact CD1-CE3 3.88Å; F341-W343 HydrophobicContact CD1-CE3 3.88Å; F341-W343 HydrophobicContact CD1-CG 4.19Å; F341-W343 AromaticContact CD1-CH2 3.86Å; F341-W343 HydrophobicContact CD1-CH2 3.86Å; F341-W343 AromaticContact CD1-CZ2 3.56Å; F341-W343 HydrophobicContact CD1-CZ2 3.56Å; F341-W343 HydrophobicContact CD1-CZ3 4.01Å; F341-W343 AromaticContact CD1-NE1 3.85Å; F341-W343 AromaticContact CE1-CD2 3.97Å; F341-W343 HydrophobicContact CE1-CD2 3.97Å; F341-W343 AromaticContact CE1-CE3 3.74Å; F341-W343 HydrophobicContact CE1-CE3 3.74Å; F341-W343 AromaticContact CE1-CH2 3.86Å; F341-W343 HydrophobicContact CE1-CH2 3.86Å; F341-W343 HydrophobicContact CE1-CZ2 4.06Å; F341-W343 AromaticContact CE1-CZ3 3.69Å; F341-W343 HydrophobicContact CE1-CZ3 3.69Å; F341-W343 HydrophobicContact CG-CZ2 4.04Å; W343-A345 VanDerWaalsContact C-N 3.26Å; W343-A345 PolarHBondContact O-N 2.89Å; W343-S346 WeakPolarHBondContact O-CA 3.32Å; W343-S346 PolarHBondContact O-N 2.6Å; W343-D347 WeakPolarHBondContact CB-O 3.27Å; W343-P348 HydrophobicContact CD2-CB 4.24Å; W343-P348 HydrophobicContact CG-CB 4.45Å; W343-P348 HydrophobicContact CZ2-CB 4.12Å; W343-P349 HydrophobicContact CE3-CG 4.27Å; W343-P349 HydrophobicContact CZ3-CG 4.03Å; W343-L352 HydrophobicContact CH2-CD2 3.48Å; W343-L352 VanDerWaalsContact CH2-CD2 3.48Å; W343-L352 HydrophobicContact CZ2-CD2 3.49Å; W343-L352 VanDerWaalsContact CZ2-CD2 3.49Å; W343-V383 HydrophobicContact CZ2-CG2 4.2Å; W343-L402 HydrophobicContact CH2-CD1 4.12Å; W343-L402 HydrophobicContact CZ3-CD1 4.39Å; W343-L409 WeakPolarHBondContact CA-O 2.97Å; W343-L409 HydrophobicContact CE3-CB 4.08Å; W343-L409 HydrophobicContact CZ3-CB 3.9Å; W343-L409 HydrophobicContact CZ3-CD1 4.37Å
344	I	96.5	Very high	95.2	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.015	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-41.8	177.1	-64.3	-61.5	0	0	0	110.3	L194 I211 Q213 L216 S346 C408 L409	L194-I344 HydrophobicContact CB-CG1 4.25Å; L194-I344 HydrophobicContact CB-CG2 4.03Å; L194-I344 HydrophobicContact CD2-CD1 4.06Å; L194-I344 HydrophobicContact CD2-CG1 4.34Å; I211-I344 HydrophobicContact CG1-CD1 4.08Å; Q213-I344 WeakPolarHBondContact CB-O 3.19Å; Q213-I344 VanDerWaalsContact CD-O 3.28Å; Q213-I344 PolarHBondContact OE1-O 2.78Å; L216-I344 HydrophobicContact CD2-CG2 3.4Å; L216-I344 VanDerWaalsContact CD2-CG2 3.4Å; I344-S346 PolarHBondContact O-N 2.91Å; I344-C408 WeakPolarHBondContact CG1-O 3.48Å; I344-L409 PolarHBondContact N-O 2.85Å
345	A	92.4	Very high	95	Very high	32 Å²	32	53.7 Å²	53.7	26%	0.264	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	7.9	175	0	0	0	0	0	114.7	P191 W343 D347	P191-A345 HydrophobicContact CB-CB 3.86Å; P191-A345 HydrophobicContact CG-CB 4.11Å; W343-A345 VanDerWaalsContact C-N 3.26Å; W343-A345 PolarHBondContact O-N 2.89Å; A345-D347 PolarHBondContact O-N 2.89Å
346	S	90.9	Very high	94.7	Very high	50 Å²	50	56.3 Å²	56.3	35%	0.35	29%	0.288	S	S	.	.	S	Bend	trans	65.5	-34.7	-171.4	-55.6	0	0	0	0	115.9	W343 I344	W343-S346 WeakPolarHBondContact O-CA 3.32Å; W343-S346 PolarHBondContact O-N 2.6Å; I344-S346 PolarHBondContact O-N 2.91Å
347	D	90.3	Very high	94.6	Very high	68 Å²	68	60.9 Å²	60.9	36%	0.364	31%	0.31	S	S	.	.	S	Bend	trans	-110.3	154.6	175	-59.3	-70.5	0	0	0	111.5	R183 W343 A345	R183-D347 IonicContact CZ-OD1 2.93Å; R183-D347 IonicContact CZ-OD2 2.94Å; R183-D347 IonicContact NH1-OD1 3.99Å; R183-D347 PolarHBondContact NH1-OD1 2.94Å; R183-D347 IonicContact NH1-OD2 3.76Å; R183-D347 PolarHBondContact NH1-OD2 3Å; R183-D347 IonicContact NH2-OD1 3.92Å; R183-D347 PolarHBondContact NH2-OD1 3.09Å; R183-D347 IonicContact NH2-OD2 2.99Å; R183-D347 PolarHBondContact NH2-OD2 3.07Å; W343-D347 WeakPolarHBondContact CB-O 3.27Å; A345-D347 PolarHBondContact O-N 2.89Å
348	P	93.4	Very high	94.5	Very high	37 Å²	37	57.8 Å²	57.8	24%	0.24	30%	0.299	C	S	.	.			trans	-65	153.5	174	-11.1	24.5	0	0	0	111.6	W343 A350 L352 V353 L377	W343-P348 HydrophobicContact CD2-CB 4.24Å; W343-P348 HydrophobicContact CG-CB 4.45Å; W343-P348 HydrophobicContact CZ2-CB 4.12Å; P348-A350 PolarHBondContact O-N 3.37Å; P348-L352 HydrophobicContact CB-CD2 4.33Å; P348-V353 HydrophobicContact CB-CG2 3.87Å; P348-V353 HydrophobicContact CG-CG2 4.15Å; P348-L377 HydrophobicContact CB-CD2 4.15Å; P348-L377 HydrophobicContact CG-CD2 3.99Å
349	P	93.7	Very high	94.5	Very high	34 Å²	34	62.8 Å²	62.8	22%	0.221	32%	0.322	C	S	.	.			trans	-53.3	136.9	175.7	-28.7	36.7	0	0	0	112.6	W343 E351 L352 V353 M358 L409	W343-P349 HydrophobicContact CE3-CG 4.27Å; W343-P349 HydrophobicContact CZ3-CG 4.03Å; P349-E351 PolarHBondContact O-N 2.93Å; P349-E351 VanDerWaalsContact O-N 3.09Å; P349-L352 HydrophobicContact CB-CB 4.4Å; P349-L352 WeakPolarHBondContact O-CA 3.31Å; P349-L352 WeakPolarHBondContact O-CB 3.46Å; P349-L352 PolarHBondContact O-N 3Å; P349-V353 PolarHBondContact O-N 3.44Å; P349-M358 HydrophobicContact CB-CE 4.44Å; P349-M358 HydrophobicContact CB-SD 3.86Å; P349-M358 HydrophobicContact CG-CE 4.03Å; P349-M358 HydrophobicContact CG-SD 4.08Å; P349-L409 HydrophobicContact CG-CD2 4.44Å
350	A	91.5	Very high	94.5	Very high	77 Å²	77	60.4 Å²	60.4	64%	0.636	31%	0.31	S	S	*	.	H	α-helix	trans	-59.4	-27.4	-174.8	0	0	0	0	0	114	P348 R354	P348-A350 PolarHBondContact O-N 3.37Å; A350-R354 VanDerWaalsContact O-CB 3.25Å; A350-R354 WeakPolarHBondContact O-CB 3.21Å; A350-R354 PolarHBondContact O-N 3.11Å; A350-R354 VanDerWaalsContact O-N 3.07Å
351	E	93.3	Very high	94.6	Very high	71 Å²	71	54.3 Å²	54.3	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-58.4	168.8	-174.9	-177.3	159.2	0	0	110.6	P349 V353 R354 T355 M358 K404	P349-E351 PolarHBondContact O-N 2.93Å; P349-E351 VanDerWaalsContact O-N 3.09Å; E351-V353 VanDerWaalsContact C-N 3.29Å; E351-V353 PolarHBondContact O-N 3.01Å; E351-R354 PolarHBondContact O-N 2.92Å; E351-T355 PolarHBondContact O-N 3Å; E351-T355 PolarHBondContact O-OG1 2.75Å; E351-M358 HydrophobicContact CG-CG 4.32Å; E351-K404 IonicContact OE1-NZ 3.52Å; E351-K404 PolarHBondContact OE1-NZ 3.23Å; E351-K404 IonicContact OE2-NZ 2.67Å; E351-K404 PolarHBondContact OE2-NZ 2.99Å
352	L	93.9	Very high	94.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-38	178.4	-176.2	62.7	0	0	0	112.7	W343 P348 P349 Q356 M358 V375 L377	W343-L352 HydrophobicContact CH2-CD2 3.48Å; W343-L352 VanDerWaalsContact CH2-CD2 3.48Å; W343-L352 HydrophobicContact CZ2-CD2 3.49Å; W343-L352 VanDerWaalsContact CZ2-CD2 3.49Å; P348-L352 HydrophobicContact CB-CD2 4.33Å; P349-L352 HydrophobicContact CB-CB 4.4Å; P349-L352 WeakPolarHBondContact O-CA 3.31Å; P349-L352 WeakPolarHBondContact O-CB 3.46Å; P349-L352 PolarHBondContact O-N 3Å; L352-Q356 CarbonylContact O-C 3.37Å; L352-Q356 WeakPolarHBondContact O-CA 3.41Å; L352-Q356 PolarHBondContact O-N 2.85Å; L352-M358 HydrophobicContact CB-CB 4.03Å; L352-M358 HydrophobicContact CB-SD 4.46Å; L352-M358 HydrophobicContact CD1-CB 3.98Å; L352-V375 HydrophobicContact CD1-CG1 4.19Å; L352-V375 WeakPolarHBondContact CD1-O 3.49Å; L352-V375 HydrophobicContact CD2-CG1 4.11Å; L352-L377 HydrophobicContact CD1-CB 3.97Å; L352-L377 HydrophobicContact CD2-CB 4.18Å; L352-L377 HydrophobicContact CG-CB 3.9Å; L352-L377 HydrophobicContact CG-CD2 4.33Å
353	V	92.1	Very high	94.6	Very high	75 Å²	75	52.6 Å²	52.6	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-65.9	-43.9	174.6	-179.9	0	0	0	0	111.4	P348 P349 E351 Q356	P348-V353 HydrophobicContact CB-CG2 3.87Å; P348-V353 HydrophobicContact CG-CG2 4.15Å; P349-V353 PolarHBondContact O-N 3.44Å; E351-V353 VanDerWaalsContact C-N 3.29Å; E351-V353 PolarHBondContact O-N 3.01Å; V353-Q356 PolarHBondContact O-NE2 3.22Å
354	R	92.2	Very high	94.5	Very high	179 Å²	179	51.9 Å²	51.9	68%	0.675	28%	0.279	S	S	*	.	H	α-helix	trans	-72.8	-40.8	-175.8	-178.4	-179.9	64.3	-111.4	-1.7	113.2	A350 E351	A350-R354 VanDerWaalsContact O-CB 3.25Å; A350-R354 WeakPolarHBondContact O-CB 3.21Å; A350-R354 PolarHBondContact O-N 3.11Å; A350-R354 VanDerWaalsContact O-N 3.07Å; E351-R354 PolarHBondContact O-N 2.92Å
355	T	93.3	Very high	94.4	Very high	74 Å²	74	55.9 Å²	55.9	45%	0.454	30%	0.299	S	S	.	.	H	α-helix	trans	-105.8	-3.9	-173.4	51.1	0	0	0	0	113.5	E351 M357	E351-T355 PolarHBondContact O-N 3Å; E351-T355 PolarHBondContact O-OG1 2.75Å; T355-M357 PolarHBondContact O-N 3.33Å; T355-M357 PolarHBondContact OG1-O 2.93Å
356	Q	92.1	Very high	94.3	Very high	87 Å²	87	56.7 Å²	56.7	41%	0.407	30%	0.297	S	S	.	.	S	Bend	trans	59.3	-5.7	-171.1	-60.8	-63.5	-69	0	0	115.2	L352 V353 T376 L377	L352-Q356 CarbonylContact O-C 3.37Å; L352-Q356 WeakPolarHBondContact O-CA 3.41Å; L352-Q356 PolarHBondContact O-N 2.85Å; V353-Q356 PolarHBondContact O-NE2 3.22Å; Q356-T376 VanDerWaalsContact O-CA 3.31Å; Q356-T376 WeakPolarHBondContact O-CA 3.47Å; Q356-L377 PolarHBondContact O-N 2.97Å; Q356-L377 PolarHBondContact OE1-O 2.8Å
357	M	95.3	Very high	94.2	Very high	97 Å²	97	60.4 Å²	60.4	48%	0.478	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.7	179.7	-64.3	177.9	64.5	0	0	111.2	T355 T374 V375 T376	T355-M357 PolarHBondContact O-N 3.33Å; T355-M357 PolarHBondContact OG1-O 2.93Å; M357-T374 HydrophobicContact CE-CG2 3.49Å; M357-T374 VanDerWaalsContact CE-CG2 3.49Å; M357-V375 CarbonylContact C-O 3.53Å; M357-V375 WeakPolarHBondContact CA-O 3.15Å; M357-T376 HydrophobicContact CG-CG2 4.23Å
358	M	97.4	Very high	94.3	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	139	174.8	-179.3	-177.9	65	0	0	112.2	P349 E351 L352 C360 V375 K404 L409	P349-M358 HydrophobicContact CB-CE 4.44Å; P349-M358 HydrophobicContact CB-SD 3.86Å; P349-M358 HydrophobicContact CG-CE 4.03Å; P349-M358 HydrophobicContact CG-SD 4.08Å; E351-M358 HydrophobicContact CG-CG 4.32Å; L352-M358 HydrophobicContact CB-CB 4.03Å; L352-M358 HydrophobicContact CB-SD 4.46Å; L352-M358 HydrophobicContact CD1-CB 3.98Å; M358-C360 HydrophobicContact CE-CB 4.19Å; M358-V375 PolarHBondContact N-O 3.18Å; M358-V375 PolarHBondContact O-N 3.38Å; M358-K404 HydrophobicContact SD-CD 4.36Å; M358-L409 HydrophobicContact CE-CD1 3.72Å
359	E	98.1	Very high	94.4	Very high	107 Å²	107	61.3 Å²	61.3	50%	0.5	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.3	168.1	-71.8	-60.4	119.9	0	0	111.5	T374	E359-T374 WeakPolarHBondContact OE1-CA 3.25Å; E359-T374 VanDerWaalsContact OE1-CB 3.26Å; E359-T374 WeakPolarHBondContact OE1-CB 3.49Å; E359-T374 WeakPolarHBondContact OE1-CG2 3.38Å; E359-T374 PolarHBondContact OE1-OG1 3.12Å
360	C	98.3	Very high	94.5	Very high	7 Å²	7	62.1 Å²	62.1	5%	0.047	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	-161.2	174.5	63.3	0	0	0	0	110.9	M358 C373 V375 Y403 L409	M358-C360 HydrophobicContact CE-CB 4.19Å; C360-C373 PolarHBondContact N-O 3.18Å; C360-C373 PolarHBondContact O-N 3.11Å; C360-V375 WeakPolarHBondContact SG-CG2 3.26Å; C360-Y403 WeakPolarHBondContact CB-O 3.31Å; C360-L409 HydrophobicContact CB-CD1 4.35Å
361	H	98.6	Very high	94.8	Very high	72 Å²	72	58.9 Å²	58.9	33%	0.333	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.9	179.4	-65.2	72.7	0	0	0	111.7	L370 I371 L402 Y403	H361-L370 HydrophobicContact CB-CB 4.04Å; H361-L370 HydrophobicContact CB-CD1 4.22Å; H361-L370 HydrophobicContact CB-CD2 4.15Å; H361-L370 HydrophobicContact CB-CG 4.37Å; H361-I371 CarbonylContact C-O 3.53Å; H361-I371 WeakPolarHBondContact CA-O 3.28Å; H361-L402 CarbonylContact O-C 3.57Å; H361-L402 WeakPolarHBondContact O-CA 3.28Å; H361-Y403 PolarHBondContact N-O 3.02Å; H361-Y403 PolarHBondContact O-N 2.96Å
362	F	98.2	Very high	95.1	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.3	-176.7	160.5	-87.5	0	0	0	112.3	V336 F364 I371 C373 I385 L387 L394 A400 V401 L402	V336-F362 HydrophobicContact CG2-CE2 4.28Å; F362-F364 HydrophobicContact CE1-CB 4.34Å; F362-F364 AromaticContact CE1-CD1 3.68Å; F362-F364 HydrophobicContact CE1-CD1 3.68Å; F362-F364 HydrophobicContact CE1-CG 4.42Å; F362-F364 HydrophobicContact CE2-CB 4.18Å; F362-F364 HydrophobicContact CZ-CB 3.66Å; F362-F364 AromaticContact CZ-CD1 3.69Å; F362-F364 HydrophobicContact CZ-CD1 3.69Å; F362-F364 AromaticContact CZ-CG 3.99Å; F362-F364 HydrophobicContact CZ-CG 3.99Å; F362-I371 PolarHBondContact N-O 2.88Å; F362-I371 PolarHBondContact O-N 3.18Å; F362-C373 HydrophobicContact CB-CB 4.13Å; F362-C373 VanDerWaalsContact CB-SG 3.51Å; F362-I385 HydrophobicContact CB-CG2 4.38Å; F362-I385 HydrophobicContact CD2-CD1 3.98Å; F362-I385 HydrophobicContact CD2-CG2 4.12Å; F362-I385 HydrophobicContact CE2-CD1 4.27Å; F362-I385 HydrophobicContact CG-CG2 4.43Å; F362-L387 HydrophobicContact CB-CD2 3.81Å; F362-L387 HydrophobicContact CD1-CD1 4.11Å; F362-L387 HydrophobicContact CD1-CD2 3.36Å; F362-L387 HydrophobicContact CD1-CG 4.39Å; F362-L387 HydrophobicContact CD2-CD2 4.33Å; F362-L387 HydrophobicContact CE1-CD1 3.88Å; F362-L387 HydrophobicContact CE1-CD2 3.9Å; F362-L387 HydrophobicContact CG-CD2 3.6Å; F362-L394 HydrophobicContact CE1-CD2 3.91Å; F362-L394 HydrophobicContact CZ-CD2 3.58Å; F362-A400 HydrophobicContact CD2-CB 4.01Å; F362-A400 HydrophobicContact CE2-CB 3.54Å; F362-V401 WeakPolarHBondContact CA-O 3.38Å; F362-L402 HydrophobicContact CB-CD2 4.17Å
363	R	97.3	Very high	95.3	Very high	15 Å²	15	58 Å²	58	6%	0.057	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	150	157.1	53.6	179.9	171.1	-177.7	-0.7	110.8	D203 T205 F206 M368 L370 V401 Y403	D203-R363 IonicContact OD2-CZ 2.8Å; D203-R363 IonicContact OD2-NH1 2.64Å; D203-R363 PolarHBondContact OD2-NH1 3.47Å; D203-R363 IonicContact OD2-NH2 2.89Å; D203-R363 PolarHBondContact OD2-NH2 2.76Å; T205-R363 PolarHBondContact OG1-NH2 3.01Å; F206-R363 HydrophobicContact CD2-CG 4.17Å; R363-M368 HydrophobicContact CB-CB 4.36Å; R363-M368 HydrophobicContact CB-SD 4.45Å; R363-L370 HydrophobicContact CB-CD2 4.17Å; R363-L370 HydrophobicContact CG-CD2 3.76Å; R363-V401 PolarHBondContact N-O 3.3Å; R363-V401 PolarHBondContact O-N 2.67Å; R363-Y403 HydrophobicContact CG-CD2 4.3Å; R363-Y403 HydrophobicContact CG-CE2 3.78Å; R363-Y403 PolarHBondContact NE-OH 3.3Å; R363-Y403 PolarHBondContact NH2-OH 3.35Å
364	F	96.8	Very high	95.6	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.009	29%	0.286	C	S	.	.	S	Bend	trans	-124.6	-4.1	176.2	77.3	-72.1	0	0	0	114.6	F206 F362 M368 A393 L394 Q398 F399 I414	F206-F364 WeakPolarHBondContact CZ-O 3.38Å; F362-F364 HydrophobicContact CE1-CB 4.34Å; F362-F364 AromaticContact CE1-CD1 3.68Å; F362-F364 HydrophobicContact CE1-CD1 3.68Å; F362-F364 HydrophobicContact CE1-CG 4.42Å; F362-F364 HydrophobicContact CE2-CB 4.18Å; F362-F364 HydrophobicContact CZ-CB 3.66Å; F362-F364 AromaticContact CZ-CD1 3.69Å; F362-F364 HydrophobicContact CZ-CD1 3.69Å; F362-F364 AromaticContact CZ-CG 3.99Å; F362-F364 HydrophobicContact CZ-CG 3.99Å; F364-M368 HydrophobicContact CD1-CE 4.15Å; F364-M368 HydrophobicContact CD1-SD 3.56Å; F364-M368 VanDerWaalsContact CD1-SD 3.56Å; F364-M368 HydrophobicContact CE1-CE 3.96Å; F364-M368 HydrophobicContact CE1-SD 3.55Å; F364-M368 VanDerWaalsContact CE1-SD 3.55Å; F364-A393 VanDerWaalsContact CE2-O 3.28Å; F364-A393 WeakPolarHBondContact CE2-O 3.16Å; F364-A393 WeakPolarHBondContact CZ-O 3.3Å; F364-L394 HydrophobicContact CD1-CD2 3.63Å; F364-L394 HydrophobicContact CD2-CD2 4.47Å; F364-L394 HydrophobicContact CE1-CD2 3.64Å; F364-L394 HydrophobicContact CE1-CG 4.37Å; F364-L394 HydrophobicContact CE2-CD2 4.48Å; F364-L394 HydrophobicContact CG-CD2 4.07Å; F364-L394 HydrophobicContact CZ-CD2 4.09Å; F364-Q398 HydrophobicContact CD2-CB 4.26Å; F364-F399 VanDerWaalsContact CA-O 3.28Å; F364-F399 WeakPolarHBondContact CA-O 3.41Å; F364-I414 HydrophobicContact CB-CD1 3.84Å; F364-I414 HydrophobicContact CD2-CD1 4.34Å; F364-I414 HydrophobicContact CG-CD1 4.28Å
365	I	94.4	Very high	95.9	Very high	86 Å²	86	47.8 Å²	47.8	44%	0.441	25%	0.254	S	S	.	.	S	Bend	trans	-123.1	139.8	173	-61.6	173.1	0	0	0	107.1	M368	I365-M368 HydrophobicContact CB-CB 4.09Å; I365-M368 HydrophobicContact CB-SD 4.46Å; I365-M368 WeakPolarHBondContact O-CB 3.39Å; I365-M368 PolarHBondContact O-N 3.44Å
366	H	89.7	Confident	96.1	Very high	49 Å²	49	46.2 Å²	46.2	23%	0.227	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	143.1	174.8	-177.5	-121.9	0	0	0	110.6	D203 F206 F207 M368	D203-H366 PolarHBondContact O-NE2 3Å; F206-H366 HydrophobicContact CD1-CB 3.96Å; F206-H366 HydrophobicContact CE1-CB 4.29Å; F206-H366 HydrophobicContact CG-CB 4.39Å; F207-H366 HydrophobicContact CE2-CB 3.95Å; F207-H366 AromaticContact CE2-CD2 3.55Å; F207-H366 AromaticContact CE2-CE1 3.84Å; F207-H366 AromaticContact CE2-CG 3.41Å; F207-H366 VanDerWaalsContact CE2-CG 3.41Å; F207-H366 AromaticContact CE2-ND1 3.6Å; F207-H366 AromaticContact CE2-NE2 3.81Å; F207-H366 HydrophobicContact CZ-CB 3.75Å; F207-H366 AromaticContact CZ-CG 3.71Å; F207-H366 AromaticContact CZ-ND1 3.97Å; H366-M368 PolarHBondContact O-N 2.83Å
367	Q	88.5	Confident	96.3	Very high	129 Å²	129	43.1 Å²	43.1	60%	0.603	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	-0.7	-173	-61.3	171.6	-23	0	0	116.8	A201 A369	A201-Q367 PolarHBondContact O-NE2 2.82Å; Q367-A369 PolarHBondContact O-N 2.94Å
368	M	92.9	Very high	96.3	Very high	45 Å²	45	40.4 Å²	40.4	22%	0.222	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-60.1	138.2	168.2	-177	-174.4	164.6	0	0	110.4	R363 F364 I365 H366 I371	R363-M368 HydrophobicContact CB-CB 4.36Å; R363-M368 HydrophobicContact CB-SD 4.45Å; F364-M368 HydrophobicContact CD1-CE 4.15Å; F364-M368 HydrophobicContact CD1-SD 3.56Å; F364-M368 VanDerWaalsContact CD1-SD 3.56Å; F364-M368 HydrophobicContact CE1-CE 3.96Å; F364-M368 HydrophobicContact CE1-SD 3.55Å; F364-M368 VanDerWaalsContact CE1-SD 3.55Å; I365-M368 HydrophobicContact CB-CB 4.09Å; I365-M368 HydrophobicContact CB-SD 4.46Å; I365-M368 WeakPolarHBondContact O-CB 3.39Å; I365-M368 PolarHBondContact O-N 3.44Å; H366-M368 PolarHBondContact O-N 2.83Å; M368-I371 HydrophobicContact CE-CD1 3.34Å; M368-I371 HydrophobicContact CE-CG1 3.89Å
369	A	94.6	Very high	96	Very high	78 Å²	78	49.8 Å²	49.8	65%	0.645	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-57.6	139.9	172.1	0	0	0	0	0	110.7	Q367 I371	Q367-A369 PolarHBondContact O-N 2.94Å; A369-I371 PolarHBondContact O-N 2.88Å
370	L	96.8	Very high	95.7	Very high	52 Å²	52	48.8 Å²	48.8	27%	0.272	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-67.8	127.1	178.5	-75.6	177.9	0	0	0	110.4	H361 R363 Y403	H361-L370 HydrophobicContact CB-CB 4.04Å; H361-L370 HydrophobicContact CB-CD1 4.22Å; H361-L370 HydrophobicContact CB-CD2 4.15Å; H361-L370 HydrophobicContact CB-CG 4.37Å; R363-L370 HydrophobicContact CB-CD2 4.17Å; R363-L370 HydrophobicContact CG-CD2 3.76Å; L370-Y403 HydrophobicContact CD2-CD2 3.61Å; L370-Y403 HydrophobicContact CD2-CE2 4.25Å; L370-Y403 HydrophobicContact CD2-CG 4.12Å
371	I	98.2	Very high	95.5	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.8	175.8	-62.3	-173.7	0	0	0	108.7	H361 F362 M368 A369 L387 Q389 A391	H361-I371 CarbonylContact C-O 3.53Å; H361-I371 WeakPolarHBondContact CA-O 3.28Å; F362-I371 PolarHBondContact N-O 2.88Å; F362-I371 PolarHBondContact O-N 3.18Å; M368-I371 HydrophobicContact CE-CD1 3.34Å; M368-I371 HydrophobicContact CE-CG1 3.89Å; A369-I371 PolarHBondContact O-N 2.88Å; I371-L387 HydrophobicContact CG2-CB 3.96Å; I371-L387 HydrophobicContact CG2-CD2 4.14Å; I371-L387 HydrophobicContact CG2-CG 4.45Å; I371-Q389 HydrophobicContact CD1-CG 4.21Å; I371-Q389 HydrophobicContact CG1-CG 4.46Å; I371-Q389 HydrophobicContact CG2-CG 3.78Å; I371-A391 HydrophobicContact CD1-CB 4.1Å
372	P	98.6	Very high	95.4	Very high	53 Å²	53	46 Å²	46	34%	0.344	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	137.9	170.4	-22.1	33.1	0	0	0	111.1	S388	P372-S388 WeakPolarHBondContact O-CB 3.47Å; P372-S388 PolarHBondContact O-N 2.94Å; P372-S388 PolarHBondContact O-OG 2.83Å
373	C	98.5	Very high	95.3	Very high	1 Å²	1	46 Å²	46	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	143.9	-175.4	64.5	0	0	0	0	113.3	C360 F362 I385 S386 L387	C360-C373 PolarHBondContact N-O 3.18Å; C360-C373 PolarHBondContact O-N 3.11Å; F362-C373 HydrophobicContact CB-CB 4.13Å; F362-C373 VanDerWaalsContact CB-SG 3.51Å; C373-I385 HydrophobicContact CB-CG2 3.8Å; C373-S386 CarbonylContact C-O 3.58Å; C373-S386 WeakPolarHBondContact CA-O 3.49Å; C373-S386 VanDerWaalsContact CB-O 3.31Å; C373-S386 WeakPolarHBondContact CB-O 3.38Å; C373-L387 HydrophobicContact CB-CD2 3.75Å
374	T	98.5	Very high	95.4	Very high	39 Å²	39	48.7 Å²	48.7	24%	0.239	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.2	167	-42.8	0	0	0	0	109.2	M357 E359 S386	M357-T374 HydrophobicContact CE-CG2 3.49Å; M357-T374 VanDerWaalsContact CE-CG2 3.49Å; E359-T374 WeakPolarHBondContact OE1-CA 3.25Å; E359-T374 VanDerWaalsContact OE1-CB 3.26Å; E359-T374 WeakPolarHBondContact OE1-CB 3.49Å; E359-T374 WeakPolarHBondContact OE1-CG2 3.38Å; E359-T374 PolarHBondContact OE1-OG1 3.12Å; T374-S386 PolarHBondContact N-O 3.23Å; T374-S386 PolarHBondContact O-N 3.26Å
375	V	98.2	Very high	95.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.8	-175.4	165.6	0	0	0	0	109.4	L352 M357 M358 C360 V383 W384 I385 L402	L352-V375 HydrophobicContact CD1-CG1 4.19Å; L352-V375 WeakPolarHBondContact CD1-O 3.49Å; L352-V375 HydrophobicContact CD2-CG1 4.11Å; M357-V375 CarbonylContact C-O 3.53Å; M357-V375 WeakPolarHBondContact CA-O 3.15Å; M358-V375 PolarHBondContact N-O 3.18Å; M358-V375 PolarHBondContact O-N 3.38Å; C360-V375 WeakPolarHBondContact SG-CG2 3.26Å; V375-V383 HydrophobicContact CG1-CG1 3.59Å; V375-W384 WeakPolarHBondContact CA-O 3.33Å; V375-I385 HydrophobicContact CG2-CG1 4.34Å; V375-I385 HydrophobicContact CG2-CG2 4.24Å; V375-L402 HydrophobicContact CB-CD1 4.45Å; V375-L402 HydrophobicContact CG1-CD1 3.92Å; V375-L402 HydrophobicContact CG2-CD1 3.73Å; V375-L402 HydrophobicContact CG2-CD2 3.85Å; V375-L402 HydrophobicContact CG2-CG 4.46Å
376	T	97.9	Very high	95.7	Very high	41 Å²	41	46.9 Å²	46.9	25%	0.252	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.4	178.8	-53.9	0	0	0	0	110.4	Q356 M357 V383 W384	Q356-T376 VanDerWaalsContact O-CA 3.31Å; Q356-T376 WeakPolarHBondContact O-CA 3.47Å; M357-T376 HydrophobicContact CG-CG2 4.23Å; T376-V383 WeakPolarHBondContact O-CA 3.44Å; T376-W384 PolarHBondContact N-O 2.86Å; T376-W384 PolarHBondContact O-N 3.46Å
377	L	96.4	Very high	96.1	Very high	22 Å²	22	45.2 Å²	45.2	12%	0.115	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.6	180	-177.8	62.6	0	0	0	111	P348 L352 Q356 V383	P348-L377 HydrophobicContact CB-CD2 4.15Å; P348-L377 HydrophobicContact CG-CD2 3.99Å; L352-L377 HydrophobicContact CD1-CB 3.97Å; L352-L377 HydrophobicContact CD2-CB 4.18Å; L352-L377 HydrophobicContact CG-CB 3.9Å; L352-L377 HydrophobicContact CG-CD2 4.33Å; Q356-L377 PolarHBondContact O-N 2.97Å; Q356-L377 PolarHBondContact OE1-O 2.8Å; L377-V383 HydrophobicContact CD1-CG2 3.95Å
378	N	94.1	Very high	96.5	Very high	40 Å²	40	43.1 Å²	43.1	21%	0.214	25%	0.252	C	S	.	.			trans	-98.9	159.1	174.8	-61	-44.6	0	0	0	111.3	D380 G381 S382 W384	N378-D380 WeakPolarHBondContact CB-OD1 3.25Å; N378-D380 PolarHBondContact O-N 2.81Å; N378-G381 WeakPolarHBondContact O-CA 3.36Å; N378-G381 PolarHBondContact O-N 2.86Å; N378-S382 WeakPolarHBondContact CB-O 3.36Å; N378-S382 PolarHBondContact N-O 2.75Å; N378-S382 PolarHBondContact ND2-O 3.09Å; N378-S382 PolarHBondContact ND2-OG 3.27Å; N378-W384 VanDerWaalsContact ND2-CD1 3.29Å
379	M	90.4	Very high	96.7	Very high	199 Å²	199	46.5 Å²	46.5	98%	0.98	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.7	179.3	-67	177.2	66.1	0	0	114.5	G381	M379-G381 PolarHBondContact O-N 3.45Å
380	D	92.9	Very high	96.8	Very high	86 Å²	86	46.1 Å²	46.1	46%	0.46	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1.1	174.4	65.1	-5.5	0	0	0	113	R337 N378 S382	R337-D380 IonicContact CZ-OD2 2.64Å; R337-D380 IonicContact NH2-OD2 2.78Å; R337-D380 PolarHBondContact NH2-OD2 2.99Å; N378-D380 WeakPolarHBondContact CB-OD1 3.25Å; N378-D380 PolarHBondContact O-N 2.81Å; D380-S382 PolarHBondContact O-N 2.97Å; D380-S382 WeakPolarHBondContact OD1-CA 3.46Å; D380-S382 WeakPolarHBondContact OD1-CB 3.25Å; D380-S382 PolarHBondContact OD1-N 2.8Å; D380-S382 PolarHBondContact OD1-OG 3.33Å; D380-S382 PolarHBondContact OD2-OG 3.22Å; D380-S382 VanDerWaalsContact OD2-OG 3.06Å
381	G	93.7	Very high	96.9	Very high	17 Å²	17	43.8 Å²	43.8	18%	0.175	24%	0.241	C	C	.	.	S	Bend	trans	76.2	3.9	-173.7	0	0	0	0	0	114	R340 F341 N378 M379	R340-G381 WeakPolarHBondContact CA-O 3.37Å; F341-G381 PolarHBondContact N-O 3.05Å; N378-G381 WeakPolarHBondContact O-CA 3.36Å; N378-G381 PolarHBondContact O-N 2.86Å; M379-G381 PolarHBondContact O-N 3.45Å
382	S	96.5	Very high	96.8	Very high	3 Å²	3	47 Å²	47	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	162.3	166.5	71.7	0	0	0	0	110.8	R337 T338 D339 N378 D380	R337-S382 PolarHBondContact NE-OG 2.77Å; R337-S382 VanDerWaalsContact NE-OG 3.16Å; R337-S382 PolarHBondContact NH2-OG 3.16Å; R337-S382 VanDerWaalsContact NH2-OG 3.16Å; T338-S382 WeakPolarHBondContact O-CB 3.38Å; D339-S382 WeakPolarHBondContact O-CA 3.47Å; N378-S382 WeakPolarHBondContact CB-O 3.36Å; N378-S382 PolarHBondContact N-O 2.75Å; N378-S382 PolarHBondContact ND2-O 3.09Å; N378-S382 PolarHBondContact ND2-OG 3.27Å; D380-S382 PolarHBondContact O-N 2.97Å; D380-S382 WeakPolarHBondContact OD1-CA 3.46Å; D380-S382 WeakPolarHBondContact OD1-CB 3.25Å; D380-S382 PolarHBondContact OD1-N 2.8Å; D380-S382 PolarHBondContact OD1-OG 3.33Å; D380-S382 PolarHBondContact OD2-OG 3.22Å; D380-S382 VanDerWaalsContact OD2-OG 3.06Å
383	V	97.4	Very high	96.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.2	-175.7	164.3	0	0	0	0	109.8	R337 T338 F341 W343 V375 T376 L377 I385	R337-V383 WeakPolarHBondContact CA-O 3.49Å; T338-V383 PolarHBondContact N-O 3.3Å; T338-V383 PolarHBondContact OG1-N 3.28Å; F341-V383 HydrophobicContact CB-CB 4.34Å; F341-V383 HydrophobicContact CB-CG2 3.67Å; F341-V383 HydrophobicContact CD2-CB 3.98Å; F341-V383 HydrophobicContact CD2-CG1 4.39Å; F341-V383 HydrophobicContact CD2-CG2 3.99Å; F341-V383 HydrophobicContact CG-CB 4.44Å; F341-V383 HydrophobicContact CG-CG2 3.96Å; W343-V383 HydrophobicContact CZ2-CG2 4.2Å; V375-V383 HydrophobicContact CG1-CG1 3.59Å; T376-V383 WeakPolarHBondContact O-CA 3.44Å; L377-V383 HydrophobicContact CD1-CG2 3.95Å; V383-I385 HydrophobicContact CG1-CD1 4.38Å; V383-I385 HydrophobicContact CG1-CG1 3.71Å
384	W	98.1	Very high	96.7	Very high	72 Å²	72	44.9 Å²	44.9	27%	0.273	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.4	161.8	-78	107.4	0	0	0	109.5	T335 R337 V375 T376 N378	T335-W384 HydrophobicContact CG2-CE3 3.76Å; T335-W384 HydrophobicContact CG2-CZ3 3.84Å; R337-W384 HydrophobicContact CB-CD2 3.9Å; R337-W384 HydrophobicContact CB-CE3 3.75Å; R337-W384 HydrophobicContact CB-CH2 3.89Å; R337-W384 HydrophobicContact CB-CZ2 4.05Å; R337-W384 HydrophobicContact CB-CZ3 3.74Å; R337-W384 HydrophobicContact CG-CD2 3.99Å; R337-W384 HydrophobicContact CG-CE3 4.36Å; R337-W384 HydrophobicContact CG-CG 4.43Å; R337-W384 HydrophobicContact CG-CZ2 4.17Å; V375-W384 WeakPolarHBondContact CA-O 3.33Å; T376-W384 PolarHBondContact N-O 2.86Å; T376-W384 PolarHBondContact O-N 3.46Å; N378-W384 VanDerWaalsContact ND2-CD1 3.29Å
385	I	98.6	Very high	96.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.1	179.3	-49.3	175	0	0	0	107.5	T335 V336 T338 F362 C373 V375 V383 L387 A400 L402	T335-I385 WeakPolarHBondContact CA-O 3.12Å; V336-I385 HydrophobicContact CG2-CB 3.84Å; V336-I385 HydrophobicContact CG2-CD1 4.09Å; V336-I385 HydrophobicContact CG2-CG1 4.26Å; V336-I385 PolarHBondContact N-O 2.94Å; V336-I385 PolarHBondContact O-N 3.18Å; T338-I385 HydrophobicContact CG2-CD1 4.23Å; F362-I385 HydrophobicContact CB-CG2 4.38Å; F362-I385 HydrophobicContact CD2-CD1 3.98Å; F362-I385 HydrophobicContact CD2-CG2 4.12Å; F362-I385 HydrophobicContact CE2-CD1 4.27Å; F362-I385 HydrophobicContact CG-CG2 4.43Å; C373-I385 HydrophobicContact CB-CG2 3.8Å; V375-I385 HydrophobicContact CG2-CG1 4.34Å; V375-I385 HydrophobicContact CG2-CG2 4.24Å; V383-I385 HydrophobicContact CG1-CD1 4.38Å; V383-I385 HydrophobicContact CG1-CG1 3.71Å; I385-L387 HydrophobicContact CG2-CD2 3.94Å; I385-A400 HydrophobicContact CD1-CB 3.52Å; I385-L402 HydrophobicContact CD1-CD2 4.07Å
386	S	98.5	Very high	96.6	Very high	50 Å²	50	44.7 Å²	44.7	35%	0.35	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.9	174.9	-56.7	0	0	0	0	108.7	C373 T374	C373-S386 CarbonylContact C-O 3.58Å; C373-S386 WeakPolarHBondContact CA-O 3.49Å; C373-S386 VanDerWaalsContact CB-O 3.31Å; C373-S386 WeakPolarHBondContact CB-O 3.38Å; T374-S386 PolarHBondContact N-O 3.23Å; T374-S386 PolarHBondContact O-N 3.26Å
387	L	98.5	Very high	96.6	Very high	14 Å²	14	42.7 Å²	42.7	7%	0.073	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	141.1	-177	-56.1	-177.9	0	0	0	110.7	D334 F362 I371 C373 I385 Q389 A391 L394	D334-L387 VanDerWaalsContact O-CB 3.27Å; D334-L387 WeakPolarHBondContact O-CB 3.49Å; D334-L387 WeakPolarHBondContact O-CG 3.43Å; D334-L387 PolarHBondContact O-N 3.49Å; F362-L387 HydrophobicContact CB-CD2 3.81Å; F362-L387 HydrophobicContact CD1-CD1 4.11Å; F362-L387 HydrophobicContact CD1-CD2 3.36Å; F362-L387 HydrophobicContact CD1-CG 4.39Å; F362-L387 HydrophobicContact CD2-CD2 4.33Å; F362-L387 HydrophobicContact CE1-CD1 3.88Å; F362-L387 HydrophobicContact CE1-CD2 3.9Å; F362-L387 HydrophobicContact CG-CD2 3.6Å; I371-L387 HydrophobicContact CG2-CB 3.96Å; I371-L387 HydrophobicContact CG2-CD2 4.14Å; I371-L387 HydrophobicContact CG2-CG 4.45Å; C373-L387 HydrophobicContact CB-CD2 3.75Å; I385-L387 HydrophobicContact CG2-CD2 3.94Å; L387-Q389 VanDerWaalsContact CB-O 3.32Å; L387-Q389 WeakPolarHBondContact CB-O 3.26Å; L387-Q389 PolarHBondContact O-N 2.74Å; L387-A391 HydrophobicContact CD1-CB 3.49Å; L387-A391 VanDerWaalsContact CD1-CB 3.49Å; L387-L394 HydrophobicContact CD1-CD1 4.16Å; L387-L394 HydrophobicContact CD1-CD2 4.49Å
388	S	97.9	Very high	96.6	Very high	86 Å²	86	42.9 Å²	42.9	60%	0.601	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	-12.9	175.9	70.9	0	0	0	0	113.9	P372	P372-S388 WeakPolarHBondContact O-CB 3.47Å; P372-S388 PolarHBondContact O-N 2.94Å; P372-S388 PolarHBondContact O-OG 2.83Å
389	Q	97	Very high	96.8	Very high	115 Å²	115	41.5 Å²	41.5	54%	0.537	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152.7	177.9	64.5	-177.4	8.3	0	0	110.4	I371 L387 A391	I371-Q389 HydrophobicContact CD1-CG 4.21Å; I371-Q389 HydrophobicContact CG1-CG 4.46Å; I371-Q389 HydrophobicContact CG2-CG 3.78Å; L387-Q389 VanDerWaalsContact CB-O 3.32Å; L387-Q389 WeakPolarHBondContact CB-O 3.26Å; L387-Q389 PolarHBondContact O-N 2.74Å; Q389-A391 PolarHBondContact O-N 2.83Å
390	L	97.3	Very high	97.2	Very high	71 Å²	71	32 Å²	32	37%	0.372	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	122.8	179	-70.8	170.5	0	0	0	112	F332 D334 E421	F332-L390 HydrophobicContact CB-CB 4.08Å; F332-L390 HydrophobicContact CB-CD1 4.17Å; F332-L390 HydrophobicContact CB-CD2 4.34Å; F332-L390 HydrophobicContact CB-CG 4.44Å; F332-L390 HydrophobicContact CD1-CB 4.06Å; D334-L390 HydrophobicContact CB-CD2 4.11Å; L390-E421 HydrophobicContact CD1-CB 4.13Å; L390-E421 HydrophobicContact CD1-CG 4.06Å; L390-E421 HydrophobicContact CD2-CB 4.3Å
391	A	97.5	Very high	97.5	Very high	2 Å²	2	28 Å²	28	2%	0.017	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.3	170.8	0	0	0	0	0	111	R333 I371 L387 Q389 L394	R333-A391 PolarHBondContact N-O 3.31Å; R333-A391 VanDerWaalsContact N-O 3.13Å; R333-A391 PolarHBondContact O-N 2.85Å; I371-A391 HydrophobicContact CD1-CB 4.1Å; L387-A391 HydrophobicContact CD1-CB 3.49Å; L387-A391 VanDerWaalsContact CD1-CB 3.49Å; Q389-A391 PolarHBondContact O-N 2.83Å; A391-L394 HydrophobicContact CB-CD1 3.91Å; A391-L394 HydrophobicContact CB-CD2 4Å; A391-L394 HydrophobicContact CB-CG 3.76Å
392	R	97.4	Very high	97.7	Very high	76 Å²	76	27.1 Å²	27.1	29%	0.287	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	133	173.8	-168.6	-173.7	173.8	-79.5	6.6	110.3	G296 T326 L331 F332 L394	G296-R392 PolarHBondContact O-NH1 2.91Å; G296-R392 PolarHBondContact O-NH2 3Å; T326-R392 PolarHBondContact O-NE 3.25Å; T326-R392 PolarHBondContact OG1-NE 3.26Å; T326-R392 PolarHBondContact OG1-NH2 3.09Å; L331-R392 HydrophobicContact CB-CG 4.1Å; L331-R392 CarbonylContact O-C 3.29Å; L331-R392 WeakPolarHBondContact O-CA 3.41Å; F332-R392 HydrophobicContact CD1-CB 4.1Å; F332-R392 HydrophobicContact CE1-CB 3.64Å; F332-R392 HydrophobicContact CE1-CG 4.06Å; F332-R392 HydrophobicContact CE2-CG 4.28Å; F332-R392 HydrophobicContact CZ-CB 3.99Å; F332-R392 HydrophobicContact CZ-CG 3.87Å; R392-L394 PolarHBondContact O-N 2.89Å
393	A	96.4	Very high	97.8	Very high	9 Å²	9	27 Å²	27	7%	0.074	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	40.9	169.7	0	0	0	0	0	115.1	L331 F364 T395	L331-A393 PolarHBondContact O-N 2.93Å; F364-A393 VanDerWaalsContact CE2-O 3.28Å; F364-A393 WeakPolarHBondContact CE2-O 3.16Å; F364-A393 WeakPolarHBondContact CZ-O 3.3Å; A393-T395 PolarHBondContact O-N 2.9Å; A393-T395 PolarHBondContact O-OG1 3.02Å
394	L	97.7	Very high	97.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.158	C	C	.	.			trans	-50.8	123.8	165.2	-74.5	167.4	0	0	0	109.6	R333 V336 F362 F364 L387 A391 R392 L417	R333-L394 HydrophobicContact CB-CD1 3.74Å; R333-L394 WeakPolarHBondContact O-CD1 3.35Å; V336-L394 HydrophobicContact CG1-CB 4.19Å; V336-L394 HydrophobicContact CG1-CD1 3.69Å; V336-L394 HydrophobicContact CG1-CD2 3.96Å; V336-L394 HydrophobicContact CG1-CG 4.17Å; F362-L394 HydrophobicContact CE1-CD2 3.91Å; F362-L394 HydrophobicContact CZ-CD2 3.58Å; F364-L394 HydrophobicContact CD1-CD2 3.63Å; F364-L394 HydrophobicContact CD2-CD2 4.47Å; F364-L394 HydrophobicContact CE1-CD2 3.64Å; F364-L394 HydrophobicContact CE1-CG 4.37Å; F364-L394 HydrophobicContact CE2-CD2 4.48Å; F364-L394 HydrophobicContact CG-CD2 4.07Å; F364-L394 HydrophobicContact CZ-CD2 4.09Å; L387-L394 HydrophobicContact CD1-CD1 4.16Å; L387-L394 HydrophobicContact CD1-CD2 4.49Å; A391-L394 HydrophobicContact CB-CD1 3.91Å; A391-L394 HydrophobicContact CB-CD2 4Å; A391-L394 HydrophobicContact CB-CG 3.76Å; R392-L394 PolarHBondContact O-N 2.89Å; L394-L417 HydrophobicContact CB-CD2 3.91Å; L394-L417 VanDerWaalsContact O-CD1 3.28Å; L394-L417 WeakPolarHBondContact O-CD1 3.22Å
395	T	97.6	Very high	97.7	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.043	17%	0.17	C	C	.	.			trans	-125	118.9	-163.5	-67.5	0	0	0	0	111.3	T294 A393 Q398	T294-T395 HydrophobicContact CG2-CG2 4.02Å; A393-T395 PolarHBondContact O-N 2.9Å; A393-T395 PolarHBondContact O-OG1 3.02Å; T395-Q398 HydrophobicContact CG2-CG 4.2Å; T395-Q398 WeakPolarHBondContact O-CB 3.36Å; T395-Q398 PolarHBondContact O-N 2.9Å
396	P	97.6	Very high	97.5	Very high	27 Å²	27	33.2 Å²	33.2	18%	0.175	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	142	173.4	-24.4	36.4	0	0	0	111.9	R124 T125 Q398 I414 L417	R124-P396 WeakPolarHBondContact CA-O 3.49Å; R124-P396 WeakPolarHBondContact CB-O 3.36Å; R124-P396 HydrophobicContact CG-CB 3.92Å; T125-P396 PolarHBondContact N-O 2.89Å; P396-Q398 VanDerWaalsContact C-N 3.34Å; P396-I414 CarbonylContact C-O 3.48Å; P396-I414 WeakPolarHBondContact CA-O 3.24Å; P396-L417 HydrophobicContact CG-CD1 4.14Å; P396-L417 HydrophobicContact CG-CD2 4.1Å; P396-L417 HydrophobicContact CG-CG 3.88Å
397	G	96.8	Very high	97.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-24.1	-173.9	0	0	0	0	0	114.7	T125 P126 I414	T125-G397 CarbonylContact O-C 3.59Å; P126-G397 WeakPolarHBondContact CA-O 3.19Å; G397-I414 PolarHBondContact N-O 3.27Å
398	Q	97.7	Very high	97.4	Very high	26 Å²	26	32.2 Å²	32.2	12%	0.121	18%	0.178	C	C	.	.	S	Bend	trans	-72.4	166.8	165.1	-69	-58.2	-55.4	0	0	110.3	T125 P126 N127 F364 T395 P396 I414	T125-Q398 PolarHBondContact O-N 3.11Å; T125-Q398 VanDerWaalsContact O-N 3.11Å; T125-Q398 PolarHBondContact O-NE2 2.77Å; P126-Q398 PolarHBondContact O-NE2 2.93Å; N127-Q398 PolarHBondContact ND2-OE1 2.81Å; F364-Q398 HydrophobicContact CD2-CB 4.26Å; T395-Q398 HydrophobicContact CG2-CG 4.2Å; T395-Q398 WeakPolarHBondContact O-CB 3.36Å; T395-Q398 PolarHBondContact O-N 2.9Å; P396-Q398 VanDerWaalsContact C-N 3.34Å; Q398-I414 WeakPolarHBondContact O-CB 3.46Å; Q398-I414 PolarHBondContact O-N 3.2Å
399	F	98.4	Very high	97.5	Very high	11 Å²	11	28.7 Å²	28.7	5%	0.048	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.3	-179.3	-76	-102.3	0	0	0	111	N127 I130 L131 Q210 F364 V401 G412 K413	N127-F399 HydrophobicContact CB-CD2 3.96Å; N127-F399 HydrophobicContact CB-CE2 4.3Å; I130-F399 HydrophobicContact CB-CD2 4.32Å; I130-F399 HydrophobicContact CB-CE2 4.3Å; I130-F399 HydrophobicContact CD1-CB 3.63Å; I130-F399 HydrophobicContact CD1-CD2 3.64Å; I130-F399 HydrophobicContact CD1-CE2 4.45Å; I130-F399 HydrophobicContact CD1-CG 3.7Å; I130-F399 HydrophobicContact CG2-CD1 4.23Å; I130-F399 HydrophobicContact CG2-CD2 4.08Å; I130-F399 HydrophobicContact CG2-CE1 4.1Å; I130-F399 HydrophobicContact CG2-CE2 3.93Å; I130-F399 HydrophobicContact CG2-CG 4.22Å; I130-F399 HydrophobicContact CG2-CZ 3.95Å; L131-F399 HydrophobicContact CD2-CZ 4.13Å; Q210-F399 HydrophobicContact CG-CD1 4.16Å; Q210-F399 HydrophobicContact CG-CE1 3.89Å; F364-F399 VanDerWaalsContact CA-O 3.28Å; F364-F399 WeakPolarHBondContact CA-O 3.41Å; F399-V401 HydrophobicContact CB-CG2 4.39Å; F399-V401 PolarHBondContact O-N 2.88Å; F399-G412 CarbonylContact C-O 3.54Å; F399-G412 WeakPolarHBondContact CA-O 3.49Å; F399-K413 HydrophobicContact CD1-CB 4.22Å; F399-K413 HydrophobicContact CE1-CB 3.92Å; F399-K413 HydrophobicContact CE2-CB 4.48Å; F399-K413 HydrophobicContact CE2-CG 4.49Å; F399-K413 HydrophobicContact CZ-CB 4.07Å; F399-K413 HydrophobicContact CZ-CG 4.47Å
400	A	98.4	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	111.8	166.1	0	0	0	0	0	108.9	T338 F362 I385 S411 G412 I414	T338-A400 HydrophobicContact CG2-CB 3.73Å; F362-A400 HydrophobicContact CD2-CB 4.01Å; F362-A400 HydrophobicContact CE2-CB 3.54Å; I385-A400 HydrophobicContact CD1-CB 3.52Å; A400-S411 WeakPolarHBondContact O-CA 3.41Å; A400-S411 WeakPolarHBondContact O-CB 3.21Å; A400-G412 PolarHBondContact N-O 2.87Å; A400-G412 PolarHBondContact O-N 3.36Å; A400-G412 VanDerWaalsContact O-N 3.11Å; A400-I414 HydrophobicContact CB-CD1 4.35Å; A400-I414 HydrophobicContact CB-CG1 3.92Å
401	V	98.7	Very high	97.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129	-178.9	-166.6	0	0	0	0	110	F206 S209 F362 R363 F399 Y403 G410	F206-V401 HydrophobicContact CD2-CB 4.06Å; F206-V401 HydrophobicContact CD2-CG2 3.44Å; F206-V401 VanDerWaalsContact CD2-CG2 3.44Å; F206-V401 HydrophobicContact CE2-CB 4.3Å; F206-V401 HydrophobicContact CE2-CG2 3.44Å; F206-V401 VanDerWaalsContact CE2-CG2 3.44Å; F206-V401 HydrophobicContact CG-CG2 4.24Å; F206-V401 HydrophobicContact CZ-CG2 4.24Å; S209-V401 VanDerWaalsContact CB-CG1 3.47Å; F362-V401 WeakPolarHBondContact CA-O 3.38Å; R363-V401 PolarHBondContact N-O 3.3Å; R363-V401 PolarHBondContact O-N 2.67Å; F399-V401 HydrophobicContact CB-CG2 4.39Å; F399-V401 PolarHBondContact O-N 2.88Å; V401-Y403 HydrophobicContact CB-CE2 3.86Å; V401-Y403 HydrophobicContact CG1-CD2 4.38Å; V401-Y403 HydrophobicContact CG1-CE2 3.4Å; V401-Y403 WeakPolarHBondContact CG1-OH 3.32Å; V401-G410 WeakPolarHBondContact CG1-O 3.19Å
402	L	98.7	Very high	97.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.1	-174.6	-64.5	-179.4	0	0	0	112.7	F341 W343 H361 F362 V375 I385 L409 G410	F341-L402 HydrophobicContact CE1-CD1 4.16Å; F341-L402 HydrophobicContact CE2-CD1 3.72Å; F341-L402 HydrophobicContact CE2-CG 3.95Å; F341-L402 HydrophobicContact CZ-CB 4Å; F341-L402 HydrophobicContact CZ-CD1 3.43Å; F341-L402 VanDerWaalsContact CZ-CD1 3.43Å; F341-L402 HydrophobicContact CZ-CG 3.57Å; W343-L402 HydrophobicContact CH2-CD1 4.12Å; W343-L402 HydrophobicContact CZ3-CD1 4.39Å; H361-L402 CarbonylContact O-C 3.57Å; H361-L402 WeakPolarHBondContact O-CA 3.28Å; F362-L402 HydrophobicContact CB-CD2 4.17Å; V375-L402 HydrophobicContact CB-CD1 4.45Å; V375-L402 HydrophobicContact CG1-CD1 3.92Å; V375-L402 HydrophobicContact CG2-CD1 3.73Å; V375-L402 HydrophobicContact CG2-CD2 3.85Å; V375-L402 HydrophobicContact CG2-CG 4.46Å; I385-L402 HydrophobicContact CD1-CD2 4.07Å; L402-L409 HydrophobicContact CB-CB 4.27Å; L402-L409 HydrophobicContact CB-CD1 4.2Å; L402-L409 PolarHBondContact O-N 3.49Å; L402-G410 PolarHBondContact N-O 2.94Å
403	Y	98.4	Very high	97.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.6	-175.8	-66.1	-92.5	0	0	0	112.9	K196 T205 F206 C360 H361 R363 L370 V401 E407 C408	K196-Y403 HydrophobicContact CG-CE1 4.42Å; T205-Y403 WeakPolarHBondContact OG1-CE1 3.07Å; T205-Y403 PolarHBondContact OG1-OH 2.58Å; T205-Y403 VanDerWaalsContact OG1-OH 3.1Å; F206-Y403 WeakPolarHBondContact CA-OH 3.45Å; F206-Y403 PolarHBondContact N-OH 3.44Å; C360-Y403 WeakPolarHBondContact CB-O 3.31Å; H361-Y403 PolarHBondContact N-O 3.02Å; H361-Y403 PolarHBondContact O-N 2.96Å; R363-Y403 HydrophobicContact CG-CD2 4.3Å; R363-Y403 HydrophobicContact CG-CE2 3.78Å; R363-Y403 PolarHBondContact NE-OH 3.3Å; R363-Y403 PolarHBondContact NH2-OH 3.35Å; L370-Y403 HydrophobicContact CD2-CD2 3.61Å; L370-Y403 HydrophobicContact CD2-CE2 4.25Å; L370-Y403 HydrophobicContact CD2-CG 4.12Å; V401-Y403 HydrophobicContact CB-CE2 3.86Å; V401-Y403 HydrophobicContact CG1-CD2 4.38Å; V401-Y403 HydrophobicContact CG1-CE2 3.4Å; V401-Y403 WeakPolarHBondContact CG1-OH 3.32Å; Y403-E407 CarbonylContact C-O 3.49Å; Y403-E407 WeakPolarHBondContact CA-O 3.32Å; Y403-C408 HydrophobicContact CD1-CB 3.98Å; Y403-C408 HydrophobicContact CE1-CB 3.48Å; Y403-C408 VanDerWaalsContact CE1-CB 3.48Å
404	K	97.3	Very high	97.8	Very high	80 Å²	80	17.1 Å²	17.1	35%	0.348	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	104.3	169.7	-161.6	158.9	-172.1	153.7	0	108.8	E351 M358 D406 E407 L409	E351-K404 IonicContact OE1-NZ 3.52Å; E351-K404 PolarHBondContact OE1-NZ 3.23Å; E351-K404 IonicContact OE2-NZ 2.67Å; E351-K404 PolarHBondContact OE2-NZ 2.99Å; M358-K404 HydrophobicContact SD-CD 4.36Å; K404-D406 PolarHBondContact O-N 2.91Å; K404-E407 PolarHBondContact N-O 3.16Å; K404-E407 WeakPolarHBondContact O-CB 3.27Å; K404-E407 PolarHBondContact O-N 3.06Å; K404-E407 VanDerWaalsContact O-N 3.16Å; K404-L409 HydrophobicContact CB-CD1 4.21Å; K404-L409 HydrophobicContact CB-CD2 4.18Å; K404-L409 HydrophobicContact CB-CG 4.39Å
405	G	95.3	Very high	97.7	Very high	51 Å²	51	19.6 Å²	19.6	53%	0.526	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-120.3	-166.9	0	0	0	0	0	110.9	K196	K196-G405 WeakPolarHBondContact CE-O 3.35Å; K196-G405 PolarHBondContact NZ-O 3.47Å
406	D	94.9	Very high	97.7	Very high	72 Å²	72	23.9 Å²	23.9	39%	0.385	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-11.3	175.3	-89	-0.9	0	0	0	114.8	R161 C195 K196 K404	R161-D406 IonicContact NH2-OD2 3.47Å; R161-D406 PolarHBondContact NH2-OD2 3.16Å; C195-D406 CarbonylContact C-O 3.59Å; C195-D406 VanDerWaalsContact CA-O 3.32Å; C195-D406 WeakPolarHBondContact CA-O 3.4Å; K196-D406 PolarHBondContact N-O 2.92Å; K196-D406 IonicContact NZ-OD1 2.72Å; K196-D406 PolarHBondContact NZ-OD1 3.49Å; K404-D406 PolarHBondContact O-N 2.91Å
407	E	97.1	Very high	97.7	Very high	43 Å²	43	24.1 Å²	24.1	20%	0.201	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.9	-179.5	-177.1	173	177.5	0	0	111	K193 Y403 K404 L409	K193-E407 HydrophobicContact CB-CG 4.16Å; K193-E407 HydrophobicContact CD-CG 4.31Å; K193-E407 WeakPolarHBondContact CD-OE2 3.4Å; K193-E407 WeakPolarHBondContact CE-OE2 3.46Å; K193-E407 HydrophobicContact CG-CG 4.44Å; K193-E407 IonicContact NZ-OE1 3.35Å; K193-E407 IonicContact NZ-OE2 2.76Å; K193-E407 PolarHBondContact NZ-OE2 2.57Å; Y403-E407 CarbonylContact C-O 3.49Å; Y403-E407 WeakPolarHBondContact CA-O 3.32Å; K404-E407 PolarHBondContact N-O 3.16Å; K404-E407 WeakPolarHBondContact O-CB 3.27Å; K404-E407 PolarHBondContact O-N 3.06Å; K404-E407 VanDerWaalsContact O-N 3.16Å; E407-L409 HydrophobicContact CG-CD2 4.06Å
408	C	98.2	Very high	97.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	107	165.9	-176.9	0	0	0	0	108.5	L194 T205 I344 Y403 G410	L194-C408 HydrophobicContact CB-CB 4.21Å; L194-C408 HydrophobicContact CD2-CB 3.96Å; L194-C408 HydrophobicContact CG-CB 3.96Å; L194-C408 WeakPolarHBondContact O-CB 3.19Å; L194-C408 PolarHBondContact O-N 2.85Å; T205-C408 HydrophobicContact CG2-CB 4.39Å; I344-C408 WeakPolarHBondContact CG1-O 3.48Å; Y403-C408 HydrophobicContact CD1-CB 3.98Å; Y403-C408 HydrophobicContact CE1-CB 3.48Å; Y403-C408 VanDerWaalsContact CE1-CB 3.48Å; C408-G410 VanDerWaalsContact C-N 3.31Å; C408-G410 PolarHBondContact O-N 2.91Å
409	L	98.2	Very high	97.6	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.063	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-29.6	-177	-58	175.7	0	0	0	112.1	W343 I344 P349 M358 C360 L402 K404 E407	W343-L409 WeakPolarHBondContact CA-O 2.97Å; W343-L409 HydrophobicContact CE3-CB 4.08Å; W343-L409 HydrophobicContact CZ3-CB 3.9Å; W343-L409 HydrophobicContact CZ3-CD1 4.37Å; I344-L409 PolarHBondContact N-O 2.85Å; P349-L409 HydrophobicContact CG-CD2 4.44Å; M358-L409 HydrophobicContact CE-CD1 3.72Å; C360-L409 HydrophobicContact CB-CD1 4.35Å; L402-L409 HydrophobicContact CB-CB 4.27Å; L402-L409 HydrophobicContact CB-CD1 4.2Å; L402-L409 PolarHBondContact O-N 3.49Å; K404-L409 HydrophobicContact CB-CD1 4.21Å; K404-L409 HydrophobicContact CB-CD2 4.18Å; K404-L409 HydrophobicContact CB-CG 4.39Å; E407-L409 HydrophobicContact CG-CD2 4.06Å
410	G	98.4	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.3	-161.6	-178.2	0	0	0	0	0	112.1	S209 F341 H342 V401 L402 C408	S209-G410 CarbonylContact O-C 3.54Å; S209-G410 WeakPolarHBondContact O-CA 3.3Å; F341-G410 VanDerWaalsContact CE1-C 3.49Å; H342-G410 CarbonylContact O-C 3.51Å; H342-G410 VanDerWaalsContact O-CA 3.25Å; H342-G410 WeakPolarHBondContact O-CA 3.36Å; V401-G410 WeakPolarHBondContact CG1-O 3.19Å; L402-G410 PolarHBondContact N-O 2.94Å; C408-G410 VanDerWaalsContact C-N 3.31Å; C408-G410 PolarHBondContact O-N 2.91Å
411	S	98.6	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	165.5	178	64.5	0	0	0	0	114.9	S209 Q210 F341 H342 A400	S209-S411 WeakPolarHBondContact CB-OG 3.44Å; S209-S411 PolarHBondContact O-N 3.1Å; S209-S411 PolarHBondContact O-OG 3.04Å; S209-S411 WeakPolarHBondContact OG-CB 3.5Å; S209-S411 PolarHBondContact OG-OG 3.27Å; Q210-S411 WeakPolarHBondContact CG-OG 3.48Å; Q210-S411 PolarHBondContact NE2-O 2.87Å; Q210-S411 PolarHBondContact NE2-OG 3.38Å; F341-S411 VanDerWaalsContact CE2-C 3.48Å; H342-S411 WeakPolarHBondContact CB-O 3.42Å; H342-S411 PolarHBondContact N-O 2.93Å; H342-S411 PolarHBondContact O-N 3.44Å; A400-S411 WeakPolarHBondContact O-CA 3.41Å; A400-S411 WeakPolarHBondContact O-CB 3.21Å
412	G	98.3	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.1	166.2	0	0	0	0	0	109.9	F341 F399 A400	F341-G412 VanDerWaalsContact CE2-N 3.34Å; F399-G412 CarbonylContact C-O 3.54Å; F399-G412 WeakPolarHBondContact CA-O 3.49Å; A400-G412 PolarHBondContact N-O 2.87Å; A400-G412 PolarHBondContact O-N 3.36Å; A400-G412 VanDerWaalsContact O-N 3.11Å
413	K	98.4	Very high	97.2	Very high	30 Å²	30	32.7 Å²	32.7	13%	0.13	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.4	176.4	-175.4	178.3	58.1	171.8	0	108.8	E119 T338 D339 F399 T415	E119-K413 IonicContact OE1-NZ 3.78Å; E119-K413 IonicContact OE2-NZ 3.77Å; E119-K413 PolarHBondContact OE2-NZ 3.19Å; T338-K413 CarbonylContact C-O 3.47Å; T338-K413 WeakPolarHBondContact CA-O 3.35Å; D339-K413 PolarHBondContact N-O 2.93Å; D339-K413 PolarHBondContact OD1-N 2.95Å; D339-K413 WeakPolarHBondContact OD2-CB 3.35Å; D339-K413 WeakPolarHBondContact OD2-CE 3.41Å; F399-K413 HydrophobicContact CD1-CB 4.22Å; F399-K413 HydrophobicContact CE1-CB 3.92Å; F399-K413 HydrophobicContact CE2-CB 4.48Å; F399-K413 HydrophobicContact CE2-CG 4.49Å; F399-K413 HydrophobicContact CZ-CB 4.07Å; F399-K413 HydrophobicContact CZ-CG 4.47Å; K413-T415 PolarHBondContact O-N 2.88Å
414	I	98.5	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	116.3	176.8	-60.9	170.2	0	0	0	108.1	V336 F364 P396 G397 Q398 A400 L417	V336-I414 HydrophobicContact CB-CG2 4.24Å; V336-I414 HydrophobicContact CG1-CG2 4.23Å; F364-I414 HydrophobicContact CB-CD1 3.84Å; F364-I414 HydrophobicContact CD2-CD1 4.34Å; F364-I414 HydrophobicContact CG-CD1 4.28Å; P396-I414 CarbonylContact C-O 3.48Å; P396-I414 WeakPolarHBondContact CA-O 3.24Å; G397-I414 PolarHBondContact N-O 3.27Å; Q398-I414 WeakPolarHBondContact O-CB 3.46Å; Q398-I414 PolarHBondContact O-N 3.2Å; A400-I414 HydrophobicContact CB-CD1 4.35Å; A400-I414 HydrophobicContact CB-CG1 3.92Å; I414-L417 HydrophobicContact CG2-CD2 3.72Å
415	T	97.3	Very high	96.9	Very high	52 Å²	52	34.4 Å²	34.4	32%	0.319	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-34.8	-178.6	47.8	0	0	0	0	112	R337 T338 D339 K413	R337-T415 PolarHBondContact O-N 3.35Å; R337-T415 PolarHBondContact O-OG1 3.32Å; T338-T415 VanDerWaalsContact C-OG1 3.23Å; T338-T415 PolarHBondContact O-OG1 3.36Å; D339-T415 HydrophobicContact CB-CG2 3.81Å; K413-T415 PolarHBondContact O-N 2.88Å
416	Q	96.5	Very high	96.7	Very high	98 Å²	98	35.4 Å²	35.4	46%	0.458	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.4	-176.9	-174.2	179.3	6.5	0	0	110.2	R337	R337-Q416 HydrophobicContact CB-CB 4.14Å; R337-Q416 PolarHBondContact N-O 2.71Å; R337-Q416 PolarHBondContact O-N 2.97Å
417	L	97.6	Very high	96.5	Very high	32 Å²	32	33.4 Å²	33.4	17%	0.168	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	152.7	172.3	-51.3	-178.7	0	0	0	110.2	L295 V336 L394 P396 I414	L295-L417 HydrophobicContact CD1-CD1 4.08Å; V336-L417 HydrophobicContact CG1-CD2 3.83Å; L394-L417 HydrophobicContact CB-CD2 3.91Å; L394-L417 VanDerWaalsContact O-CD1 3.28Å; L394-L417 WeakPolarHBondContact O-CD1 3.22Å; P396-L417 HydrophobicContact CG-CD1 4.14Å; P396-L417 HydrophobicContact CG-CD2 4.1Å; P396-L417 HydrophobicContact CG-CG 3.88Å; I414-L417 HydrophobicContact CG2-CD2 3.72Å
418	G	96.7	Very high	96.2	Very high	12 Å²	12	37.7 Å²	37.7	12%	0.124	20%	0.197	C	C	.	.			trans	-69.3	175.1	162.5	0	0	0	0	0	112.9	R333 T335	R333-G418 WeakPolarHBondContact CD-O 3.26Å; R333-G418 PolarHBondContact NE-O 2.97Å; T335-G418 PolarHBondContact O-N 3.01Å
419	P	96.4	Very high	95.7	Very high	66 Å²	66	43.4 Å²	43.4	43%	0.429	22%	0.224	S	C	.	.			trans	-59.9	146	174.2	28.1	-35.4	0	0	0	110.9	T423 L424	P419-T423 HydrophobicContact CB-CG2 4.28Å; P419-L424 HydrophobicContact CB-CD2 4.01Å; P419-L424 HydrophobicContact CB-CG 4.15Å; P419-L424 HydrophobicContact CG-CD1 4.36Å; P419-L424 HydrophobicContact CG-CD2 3.66Å; P419-L424 HydrophobicContact CG-CG 4.05Å
420	S	97.4	Very high	95.2	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.028	26%	0.255	C	S	.	.			trans	-72.5	155.1	172.4	76.4	0	0	0	0	111.4	F332 F422 T423 L424	F332-S420 WeakPolarHBondContact O-CA 3.23Å; S420-F422 PolarHBondContact O-N 2.93Å; S420-T423 WeakPolarHBondContact O-CA 3.22Å; S420-T423 VanDerWaalsContact O-CB 3.27Å; S420-T423 WeakPolarHBondContact O-CB 3.31Å; S420-T423 PolarHBondContact O-N 3.03Å; S420-T423 PolarHBondContact OG-N 3.17Å; S420-T423 VanDerWaalsContact OG-N 3.11Å; S420-T423 PolarHBondContact OG-OG1 2.81Å; S420-L424 PolarHBondContact O-N 3.27Å
421	E	97.3	Very high	94.5	Very high	29 Å²	29	57 Å²	57	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-32.9	175.3	177.3	55.5	-158.9	0	0	111.1	P329 F332 L390 L424 Q425 R428	P329-E421 HydrophobicContact CB-CB 4.25Å; P329-E421 HydrophobicContact CB-CG 4.2Å; F332-E421 HydrophobicContact CB-CB 4.42Å; F332-E421 PolarHBondContact O-N 2.95Å; L390-E421 HydrophobicContact CD1-CB 4.13Å; L390-E421 HydrophobicContact CD1-CG 4.06Å; L390-E421 HydrophobicContact CD2-CB 4.3Å; E421-L424 PolarHBondContact O-N 2.93Å; E421-Q425 HydrophobicContact CG-CG 4.39Å; E421-Q425 VanDerWaalsContact CG-NE2 3.35Å; E421-Q425 WeakPolarHBondContact O-CB 3.21Å; E421-Q425 WeakPolarHBondContact O-CG 3.4Å; E421-Q425 PolarHBondContact O-N 3.02Å; E421-Q425 WeakPolarHBondContact OE1-CG 3.18Å; E421-Q425 PolarHBondContact OE1-NE2 3.23Å; E421-R428 IonicContact OE1-NH1 3.48Å; E421-R428 PolarHBondContact OE1-NH1 3.39Å; E421-R428 IonicContact OE2-NH1 2.89Å; E421-R428 IonicContact OE2-NH2 3.44Å
422	F	96.4	Very high	93.8	Very high	28 Å²	28	60.8 Å²	60.8	12%	0.123	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-41.6	170.2	-177.2	-107.2	0	0	0	113.5	I278 E279 H328 P329 A330 S420 Q425 K426	I278-F422 HydrophobicContact CG1-CD1 4.24Å; I278-F422 HydrophobicContact CG1-CE1 3.88Å; I278-F422 HydrophobicContact CG2-CE1 4.16Å; I278-F422 HydrophobicContact CG2-CZ 4.32Å; I278-F422 WeakPolarHBondContact O-CE1 3.34Å; I278-F422 WeakPolarHBondContact O-CZ 3.5Å; E279-F422 HydrophobicContact CG-CZ 4.43Å; H328-F422 AromaticContact CE1-CD2 3.59Å; H328-F422 AromaticContact CE1-CE2 3.73Å; H328-F422 AromaticContact CE1-CG 3.98Å; H328-F422 AromaticContact NE2-CD2 3.94Å; H328-F422 AromaticContact NE2-CE2 3.79Å; P329-F422 HydrophobicContact CB-CB 3.97Å; A330-F422 HydrophobicContact CB-CB 3.75Å; A330-F422 HydrophobicContact CB-CD1 4.22Å; A330-F422 HydrophobicContact CB-CG 4.1Å; S420-F422 PolarHBondContact O-N 2.93Å; F422-Q425 PolarHBondContact O-N 3.24Å; F422-K426 HydrophobicContact CD1-CD 4.34Å; F422-K426 HydrophobicContact CE1-CD 3.81Å; F422-K426 HydrophobicContact CE2-CD 4.49Å; F422-K426 HydrophobicContact CZ-CD 3.93Å; F422-K426 PolarHBondContact O-N 2.78Å
423	T	94.9	Very high	92.9	Very high	78 Å²	78	63 Å²	63	48%	0.479	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-41.9	175.7	-47.5	0	0	0	0	110.7	P419 S420 G427	P419-T423 HydrophobicContact CB-CG2 4.28Å; S420-T423 WeakPolarHBondContact O-CA 3.22Å; S420-T423 VanDerWaalsContact O-CB 3.27Å; S420-T423 WeakPolarHBondContact O-CB 3.31Å; S420-T423 PolarHBondContact O-N 3.03Å; S420-T423 PolarHBondContact OG-N 3.17Å; S420-T423 VanDerWaalsContact OG-N 3.11Å; S420-T423 PolarHBondContact OG-OG1 2.81Å; T423-G427 PolarHBondContact O-N 2.84Å
424	L	94.6	Very high	91.9	Very high	54 Å²	54	64 Å²	64	28%	0.283	33%	0.334	S	S	.	.	H	α-helix	trans	-66.2	-42.6	177	-66	176.1	0	0	0	111.7	P419 S420 E421 G427 R428	P419-L424 HydrophobicContact CB-CD2 4.01Å; P419-L424 HydrophobicContact CB-CG 4.15Å; P419-L424 HydrophobicContact CG-CD1 4.36Å; P419-L424 HydrophobicContact CG-CD2 3.66Å; P419-L424 HydrophobicContact CG-CG 4.05Å; S420-L424 PolarHBondContact O-N 3.27Å; E421-L424 PolarHBondContact O-N 2.93Å; L424-G427 PolarHBondContact O-N 3.48Å; L424-R428 WeakPolarHBondContact O-CG 3.48Å; L424-R428 PolarHBondContact O-N 2.9Å
425	Q	93.9	Very high	90.8	Very high	62 Å²	62	72.5 Å²	72.5	29%	0.29	37%	0.366	S	S	.	.	H	α-helix	trans	-60.7	-54	176	-74.8	168.7	-0.3	0	0	111.7	E421 F422 G427 R428 E429	E421-Q425 HydrophobicContact CG-CG 4.39Å; E421-Q425 VanDerWaalsContact CG-NE2 3.35Å; E421-Q425 WeakPolarHBondContact O-CB 3.21Å; E421-Q425 WeakPolarHBondContact O-CG 3.4Å; E421-Q425 PolarHBondContact O-N 3.02Å; E421-Q425 WeakPolarHBondContact OE1-CG 3.18Å; E421-Q425 PolarHBondContact OE1-NE2 3.23Å; F422-Q425 PolarHBondContact O-N 3.24Å; Q425-G427 PolarHBondContact O-N 3.41Å; Q425-R428 WeakPolarHBondContact O-CB 3.47Å; Q425-R428 PolarHBondContact O-N 3.35Å; Q425-E429 WeakPolarHBondContact O-CG 3.26Å; Q425-E429 PolarHBondContact O-N 3.34Å
426	K	91.1	Very high	89.5	Confident	71 Å²	71	76.3 Å²	76.3	31%	0.309	38%	0.38	S	S	.	.	H	α-helix	trans	-57.4	-32.1	174.3	-77.3	-173.7	168.1	-178.7	0	112.6	E279 F422 R430	E279-K426 PolarHBondContact O-NZ 3.47Å; F422-K426 HydrophobicContact CD1-CD 4.34Å; F422-K426 HydrophobicContact CE1-CD 3.81Å; F422-K426 HydrophobicContact CE2-CD 4.49Å; F422-K426 HydrophobicContact CZ-CD 3.93Å; F422-K426 PolarHBondContact O-N 2.78Å; K426-R430 WeakPolarHBondContact O-CD 3.49Å; K426-R430 VanDerWaalsContact O-CG 3.26Å; K426-R430 WeakPolarHBondContact O-CG 3.22Å; K426-R430 PolarHBondContact O-N 3.03Å
427	G	89.9	Confident	87.8	Confident	30 Å²	30	78.7 Å²	78.7	31%	0.309	39%	0.391	S	S	.	.	H	α-helix	trans	-66.6	-46.8	172.7	0	0	0	0	0	113.3	T423 L424 Q425 L431	T423-G427 PolarHBondContact O-N 2.84Å; L424-G427 PolarHBondContact O-N 3.48Å; Q425-G427 PolarHBondContact O-N 3.41Å; G427-L431 WeakPolarHBondContact O-CG 3.37Å; G427-L431 PolarHBondContact O-N 3.03Å
428	R	90.8	Very high	86	Confident	133 Å²	133	83.8 Å²	83.8	50%	0.502	42%	0.419	S	S	.	.	H	α-helix	trans	-61.5	-46.2	176.2	-68.2	167.8	-171.8	145.1	5	111.3	E421 L424 Q425 R430 L431 V432	E421-R428 IonicContact OE1-NH1 3.48Å; E421-R428 PolarHBondContact OE1-NH1 3.39Å; E421-R428 IonicContact OE2-NH1 2.89Å; E421-R428 IonicContact OE2-NH2 3.44Å; L424-R428 WeakPolarHBondContact O-CG 3.48Å; L424-R428 PolarHBondContact O-N 2.9Å; Q425-R428 WeakPolarHBondContact O-CB 3.47Å; Q425-R428 PolarHBondContact O-N 3.35Å; R428-R430 PolarHBondContact O-N 3.19Å; R428-L431 PolarHBondContact O-N 3.46Å; R428-V432 WeakPolarHBondContact O-CG2 3.39Å; R428-V432 PolarHBondContact O-N 3.25Å
429	E	89.5	Confident	84.1	Confident	121 Å²	121	89.6 Å²	89.6	57%	0.565	45%	0.447	S	S	*	.	H	α-helix	trans	-57.4	-47.6	178.5	-71.6	165.5	-178.3	0	0	112.2	Q425 L431 V432 A433	Q425-E429 WeakPolarHBondContact O-CG 3.26Å; Q425-E429 PolarHBondContact O-N 3.34Å; E429-L431 VanDerWaalsContact C-N 3.31Å; E429-L431 PolarHBondContact O-N 3.21Å; E429-V432 PolarHBondContact O-N 3.32Å; E429-A433 PolarHBondContact O-N 3.44Å
430	R	86.4	Confident	81.9	Confident	189 Å²	189	93.7 Å²	93.7	71%	0.713	46%	0.461	S	S	*	.	H	α-helix	trans	-59.9	-40.2	176.7	-73.3	171.4	-179.3	-171	-1.2	112.5	K426 R428 A433 S434	K426-R430 WeakPolarHBondContact O-CD 3.49Å; K426-R430 VanDerWaalsContact O-CG 3.26Å; K426-R430 WeakPolarHBondContact O-CG 3.22Å; K426-R430 PolarHBondContact O-N 3.03Å; R428-R430 PolarHBondContact O-N 3.19Å; R430-A433 PolarHBondContact O-N 2.97Å; R430-S434 PolarHBondContact O-N 3.34Å; R430-S434 PolarHBondContact O-OG 3.44Å
431	L	83.9	Confident	79.8	Confident	107 Å²	107	99.2 Å²	99.2	56%	0.56	50%	0.496	S	S	*	.	H	α-helix	trans	-67.8	-33.6	177.5	-71.6	168.9	0	0	0	112.7	G427 R428 E429 S434 R435	G427-L431 WeakPolarHBondContact O-CG 3.37Å; G427-L431 PolarHBondContact O-N 3.03Å; R428-L431 PolarHBondContact O-N 3.46Å; E429-L431 VanDerWaalsContact C-N 3.31Å; E429-L431 PolarHBondContact O-N 3.21Å; L431-S434 WeakPolarHBondContact CA-OG 3.35Å; L431-S434 PolarHBondContact O-OG 3.16Å; L431-R435 WeakPolarHBondContact O-CG 3.44Å; L431-R435 PolarHBondContact O-N 3.34Å
432	V	84.4	Confident	78	Confident	80 Å²	80	105.2 Å²	105.2	49%	0.485	53%	0.528	S	S	.	.	H	α-helix	trans	-69.2	-47.7	173.3	175.1	0	0	0	0	110.4	R428 E429 S434 R435 Q436	R428-V432 WeakPolarHBondContact O-CG2 3.39Å; R428-V432 PolarHBondContact O-N 3.25Å; E429-V432 PolarHBondContact O-N 3.32Å; V432-S434 VanDerWaalsContact C-N 3.33Å; V432-S434 PolarHBondContact O-N 2.99Å; V432-R435 PolarHBondContact O-N 3.38Å; V432-Q436 PolarHBondContact O-N 2.98Å; V432-Q436 VanDerWaalsContact O-N 3.08Å
433	A	79.3	Confident	76.2	Confident	46 Å²	46	109.2 Å²	109.2	38%	0.38	56%	0.557	S	S	.	*	H	α-helix	trans	-58.4	-42.8	177.9	0	0	0	0	0	112.3	E429 R430 R435 Q436 Q437	E429-A433 PolarHBondContact O-N 3.44Å; R430-A433 PolarHBondContact O-N 2.97Å; A433-R435 VanDerWaalsContact C-N 3.26Å; A433-R435 PolarHBondContact O-N 3.08Å; A433-Q436 PolarHBondContact O-N 3.06Å; A433-Q437 PolarHBondContact O-N 3.19Å; A433-Q437 VanDerWaalsContact O-N 3.16Å
434	S	77.2	Confident	74.5	Confident	51 Å²	51	112.6 Å²	112.6	36%	0.357	57%	0.572	S	S	.	*	H	α-helix	trans	-67.5	-21.9	176.8	61	0	0	0	0	114.4	R430 L431 V432 N438	R430-S434 PolarHBondContact O-N 3.34Å; R430-S434 PolarHBondContact O-OG 3.44Å; L431-S434 WeakPolarHBondContact CA-OG 3.35Å; L431-S434 PolarHBondContact O-OG 3.16Å; V432-S434 VanDerWaalsContact C-N 3.33Å; V432-S434 PolarHBondContact O-N 2.99Å; S434-N438 PolarHBondContact O-ND2 3.22Å
435	R	74.9	Confident	72.8	Confident	180 Å²	180	115.8 Å²	115.8	68%	0.679	60%	0.595	S	S	*	*	H	α-helix	trans	-79.2	-44.3	173.9	-74.3	172.9	-177.9	-168.3	-0.1	110.8	L431 V432 A433 Q437 N438 D439	L431-R435 WeakPolarHBondContact O-CG 3.44Å; L431-R435 PolarHBondContact O-N 3.34Å; V432-R435 PolarHBondContact O-N 3.38Å; A433-R435 VanDerWaalsContact C-N 3.26Å; A433-R435 PolarHBondContact O-N 3.08Å; R435-Q437 VanDerWaalsContact C-N 3.26Å; R435-Q437 PolarHBondContact O-N 3.28Å; R435-N438 PolarHBondContact O-N 3.47Å; R435-D439 PolarHBondContact O-N 3.29Å
436	Q	69.5	Low	71.3	Confident	131 Å²	131	119.9 Å²	119.9	61%	0.612	62%	0.624	S	S	*	*	H	α-helix	trans	-60	-34.7	177.6	-70.3	175.2	-25.2	0	0	112.6	V432 A433 N438 D439	V432-Q436 PolarHBondContact O-N 2.98Å; V432-Q436 VanDerWaalsContact O-N 3.08Å; A433-Q436 PolarHBondContact O-N 3.06Å; Q436-N438 VanDerWaalsContact C-N 3.31Å; Q436-N438 PolarHBondContact O-N 2.98Å; Q436-D439 PolarHBondContact O-N 3.49Å
437	Q	61	Low	69.5	Low	148 Å²	148	123.4 Å²	123.4	69%	0.692	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-20.2	174.1	-72.8	-178	-31.9	0	0	114.5	A433 R435	A433-Q437 PolarHBondContact O-N 3.19Å; A433-Q437 VanDerWaalsContact O-N 3.16Å; R435-Q437 VanDerWaalsContact C-N 3.26Å; R435-Q437 PolarHBondContact O-N 3.28Å
438	N	59.8	Low	68.5	Low	139 Å²	139	128.1 Å²	128.1	74%	0.743	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-12.9	176.8	-73.3	-11.3	0	0	0	113.1	S434 R435 Q436	S434-N438 PolarHBondContact O-ND2 3.22Å; R435-N438 PolarHBondContact O-N 3.47Å; Q436-N438 VanDerWaalsContact C-N 3.31Å; Q436-N438 PolarHBondContact O-N 2.98Å
439	D	57.5	Low	67.3	Low	134 Å²	134	127.8 Å²	127.8	72%	0.717	71%	0.71	S	S	*	*	S	Bend	trans	-97.2	4	177.9	-70	-32.1	0	0	0	112.6	R435 Q436	R435-D439 PolarHBondContact O-N 3.29Å; Q436-D439 PolarHBondContact O-N 3.49Å
440	E	50	Low	66.1	Low	153 Å²	153	128.2 Å²	128.2	72%	0.715	72%	0.718	S	S	*	*	S	Bend	trans	-69.8	125.2	169.7	-74.3	-163.9	155.3	0	0	110.2	I442	E440-I442 PolarHBondContact O-N 3.41Å
441	P	53.7	Low	64.9	Low	119 Å²	119	124.6 Å²	124.6	77%	0.773	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-67.1	132.3	-177.8	26.6	-33.5	0	0	0	110.9
442	I	58.6	Low	63.7	Low	156 Å²	156	125.7 Å²	125.7	80%	0.8	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-55.5	123.7	171	-58.6	171.2	0	0	0	107.6	E440 D444	E440-I442 PolarHBondContact O-N 3.41Å; I442-D444 PolarHBondContact O-N 3.36Å
443	P	60.3	Low	62.3	Low	112 Å²	112	128.7 Å²	128.7	73%	0.727	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-63.5	131.6	177.5	25.5	-33	0	0	0	109.6
444	D	58.3	Low	61.1	Low	148 Å²	148	134.6 Å²	134.6	79%	0.791	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-53.5	137.2	-179.7	-79	-47.3	0	0	0	110.9	I442 V446	I442-D444 PolarHBondContact O-N 3.36Å; D444-V446 PolarHBondContact O-N 3.13Å; D444-V446 VanDerWaalsContact O-N 3.13Å
445	P	58.5	Low	59.9	Low	121 Å²	121	141.1 Å²	141.1	79%	0.786	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-63.4	119	178.5	26.3	-33.1	0	0	0	109.6	G447	P445-G447 PolarHBondContact O-N 3.19Å
446	V	62.9	Low	58.7	Low	148 Å²	148	137.8 Å²	137.8	90%	0.897	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-62.3	117.6	174.7	-174.9	0	0	0	0	108.4	D444	D444-V446 PolarHBondContact O-N 3.13Å; D444-V446 VanDerWaalsContact O-N 3.13Å
447	G	53.8	Low	57.7	Low	145 Å²	145	138.5 Å²	138.5	100%	1.495	83%	0.83	S	S	*	*			trans	-83.3	0	-178.7	0	0	0	0	0	114.9	P445	P445-G447 PolarHBondContact O-N 3.19Å

Retrieved 447 of 447 residues in 392.7 ms (Link to these results)

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