A0A087Y1B4_POEFO Loading...

D-glutamate cyclase

AlphaFold DB , UniProt , Accession A0A087Y1B4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 627 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.3	Very low	49.1	Very low	176 Å²	176	87.2 Å²	87.2	87%	0.867	44%	0.441	S	S	*	.				0	-55.7	0	-166.5	169.2	173.8	0	0	111.6	V4 M5	M1-V4 CarbonylContact O-C 3.53Å; M1-V4 WeakPolarHBondContact O-CA 3.41Å; M1-V4 WeakPolarHBondContact O-CB 3.07Å; M1-V4 PolarHBondContact O-N 3.11Å; M1-M5 HydrophobicContact CE-CE 3.88Å; M1-M5 PolarHBondContact O-N 3.19Å
2	L	54	Low	47.7	Very low	27 Å²	27	88.9 Å²	88.9	14%	0.141	46%	0.46	C	S	.	.	H	α-helix	trans	-62.4	-44.3	178.7	-66.3	166.4	0	0	0	114.2	V4 M5 R6 Y26 L254 D256	L2-V4 PolarHBondContact O-N 3.07Å; L2-M5 HydrophobicContact CD2-SD 4.4Å; L2-M5 WeakPolarHBondContact O-CB 3.4Å; L2-M5 PolarHBondContact O-N 2.9Å; L2-R6 PolarHBondContact O-N 3.17Å; L2-Y26 HydrophobicContact CD1-CD1 3.9Å; L2-Y26 HydrophobicContact CD1-CD2 4.32Å; L2-Y26 HydrophobicContact CD1-CE1 3.5Å; L2-Y26 HydrophobicContact CD1-CE2 3.95Å; L2-Y26 HydrophobicContact CD1-CG 4.29Å; L2-Y26 HydrophobicContact CD2-CD2 3.74Å; L2-Y26 HydrophobicContact CD2-CE2 3.83Å; L2-Y26 HydrophobicContact CD2-CG 4.12Å; L2-Y26 HydrophobicContact CG-CE2 4.34Å; L2-L254 HydrophobicContact CD2-CD2 3.99Å; L2-D256 VanDerWaalsContact CD1-OD1 3.28Å; L2-D256 WeakPolarHBondContact CD1-OD1 3.44Å
3	S	53.2	Low	46.8	Very low	54 Å²	54	90 Å²	90	38%	0.378	45%	0.454	S	S	.	.	H	α-helix	trans	-56.6	-35.3	169.8	169.3	0	0	0	0	112.2	T7	S3-T7 WeakPolarHBondContact O-CB 2.97Å; S3-T7 WeakPolarHBondContact O-CG2 2.91Å; S3-T7 PolarHBondContact O-N 2.99Å; S3-T7 PolarHBondContact O-OG1 3.35Å
4	V	53.6	Low	45.5	Very low	97 Å²	97	102.3 Å²	102.3	59%	0.588	49%	0.492	S	S	*	.	H	α-helix	trans	-76.4	-24.5	175	-178.9	0	0	0	0	112.1	M1 L2 T7 G8	M1-V4 CarbonylContact O-C 3.53Å; M1-V4 WeakPolarHBondContact O-CA 3.41Å; M1-V4 WeakPolarHBondContact O-CB 3.07Å; M1-V4 PolarHBondContact O-N 3.11Å; L2-V4 PolarHBondContact O-N 3.07Å; V4-T7 WeakPolarHBondContact CA-OG1 3.16Å; V4-G8 WeakPolarHBondContact O-CA 3.5Å; V4-G8 PolarHBondContact O-N 2.65Å
5	M	59.3	Low	44.2	Very low	71 Å²	71	102.2 Å²	102.2	35%	0.35	51%	0.507	S	S	.	.	H	α-helix	trans	-76.8	-43.2	172.5	-76.1	175	153.6	0	0	111.2	M1 L2 T7 G8 C9 L254	M1-M5 HydrophobicContact CE-CE 3.88Å; M1-M5 PolarHBondContact O-N 3.19Å; L2-M5 HydrophobicContact CD2-SD 4.4Å; L2-M5 WeakPolarHBondContact O-CB 3.4Å; L2-M5 PolarHBondContact O-N 2.9Å; M5-T7 VanDerWaalsContact C-N 3.29Å; M5-T7 PolarHBondContact O-N 3.34Å; M5-G8 PolarHBondContact O-N 2.67Å; M5-C9 PolarHBondContact O-N 3.28Å; M5-C9 PolarHBondContact O-SG 3.39Å; M5-L254 HydrophobicContact CB-CD2 4.39Å
6	R	67.9	Low	43.7	Very low	9 Å²	9	98.4 Å²	98.4	3%	0.034	49%	0.488	C	S	.	.	H	α-helix	trans	-55	-46.4	170.6	-68.1	177	-169.1	123.3	20.5	111.1	L2 A70 D78 L254 T255 D256	L2-R6 PolarHBondContact O-N 3.17Å; R6-A70 VanDerWaalsContact CZ-CB 3.41Å; R6-D78 HydrophobicContact CB-CB 4.18Å; R6-L254 VanDerWaalsContact CZ-O 3.28Å; R6-L254 PolarHBondContact NE-O 2.82Å; R6-L254 PolarHBondContact NH2-O 3.04Å; R6-T255 PolarHBondContact NH2-O 3.48Å; R6-D256 IonicContact CZ-OD1 3.38Å; R6-D256 IonicContact CZ-OD2 3.89Å; R6-D256 IonicContact NH1-OD1 3.57Å; R6-D256 PolarHBondContact NH1-OD1 3.29Å; R6-D256 IonicContact NH1-OD2 3.85Å; R6-D256 PolarHBondContact NH1-OD2 3.44Å; R6-D256 IonicContact NH2-OD1 3.55Å; R6-D256 PolarHBondContact NH2-OD1 3.06Å; R6-D256 IonicContact NH2-OD2 3.5Å
7	T	46.7	Very low	43.1	Very low	35 Å²	35	107.7 Å²	107.7	22%	0.215	52%	0.517	C	S	.	.	H	α-helix	trans	-86.8	-20	-179.4	56.9	0	0	0	0	114.4	S3 V4 M5 R10	S3-T7 WeakPolarHBondContact O-CB 2.97Å; S3-T7 WeakPolarHBondContact O-CG2 2.91Å; S3-T7 PolarHBondContact O-N 2.99Å; S3-T7 PolarHBondContact O-OG1 3.35Å; V4-T7 WeakPolarHBondContact CA-OG1 3.16Å; M5-T7 VanDerWaalsContact C-N 3.29Å; M5-T7 PolarHBondContact O-N 3.34Å; T7-R10 WeakPolarHBondContact O-CB 3.08Å; T7-R10 WeakPolarHBondContact O-CD 3.42Å; T7-R10 WeakPolarHBondContact O-CG 3.36Å; T7-R10 PolarHBondContact O-N 3.05Å; T7-R10 PolarHBondContact O-NE 3.2Å
8	G	41.6	Very low	42.6	Very low	44 Å²	44	113.5 Å²	113.5	45%	0.454	53%	0.532	S	S	.	.	H	α-helix	trans	-80.8	-19.1	179.3	0	0	0	0	0	113.3	V4 M5 R10	V4-G8 WeakPolarHBondContact O-CA 3.5Å; V4-G8 PolarHBondContact O-N 2.65Å; M5-G8 PolarHBondContact O-N 2.67Å; G8-R10 PolarHBondContact O-N 2.98Å
9	C	43.3	Very low	42.4	Very low	48 Å²	48	112 Å²	112	32%	0.324	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-11.5	163.2	-79.2	0	0	0	0	113.7	M5 R11 W13	M5-C9 PolarHBondContact O-N 3.28Å; M5-C9 PolarHBondContact O-SG 3.39Å; C9-R11 VanDerWaalsContact C-N 3.28Å; C9-R11 PolarHBondContact O-N 2.85Å; C9-W13 PolarHBondContact SG-NE1 3.02Å
10	R	40.7	Very low	42.4	Very low	165 Å²	165	110.4 Å²	110.4	62%	0.623	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-16	178.6	-74.5	171.3	-159.9	-165.7	0.7	116	T7 G8	T7-R10 WeakPolarHBondContact O-CB 3.08Å; T7-R10 WeakPolarHBondContact O-CD 3.42Å; T7-R10 WeakPolarHBondContact O-CG 3.36Å; T7-R10 PolarHBondContact O-N 3.05Å; T7-R10 PolarHBondContact O-NE 3.2Å; G8-R10 PolarHBondContact O-N 2.98Å
11	R	30.6	Very low	42.2	Very low	233 Å²	233	108.2 Å²	108.2	88%	0.879	52%	0.523	S	S	*	.	S	Bend	trans	-135.6	-16	-165.7	-79.8	-176.2	172.4	167.7	-2.7	120.3	C9	C9-R11 VanDerWaalsContact C-N 3.28Å; C9-R11 PolarHBondContact O-N 2.85Å
12	T	31.6	Very low	41.6	Very low	108 Å²	108	102.7 Å²	102.7	66%	0.663	50%	0.502	S	S	*	.			trans	-151.9	86.8	-175.7	30	0	0	0	0	112.4
13	W	36.1	Very low	41.3	Very low	103 Å²	103	102.6 Å²	102.6	39%	0.39	50%	0.504	S	S	.	.			trans	-118.8	-11.5	177.3	-98.2	90.6	0	0	0	115.6	C9 S15 L16	C9-W13 PolarHBondContact SG-NE1 3.02Å; W13-S15 PolarHBondContact O-N 3.26Å; W13-L16 HydrophobicContact CD2-CB 4.16Å; W13-L16 HydrophobicContact CE3-CB 3.77Å; W13-L16 HydrophobicContact CZ3-CB 4.06Å; W13-L16 PolarHBondContact O-N 2.84Å; W13-L16 VanDerWaalsContact O-N 3.11Å
14	R	29.5	Very low	41.4	Very low	262 Å²	262	108.4 Å²	108.4	99%	0.989	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.8	175.8	-75.6	-173	178.7	-165	-0.3	113.9
15	S	26.3	Very low	42.1	Very low	101 Å²	101	105.9 Å²	105.9	71%	0.706	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-3.4	178.1	-177.1	0	0	0	0	114	W13	W13-S15 PolarHBondContact O-N 3.26Å
16	L	35.4	Very low	43	Very low	41 Å²	41	106.5 Å²	106.5	22%	0.215	52%	0.517	C	S	.	.			trans	-115.9	30.6	-164.3	-72.1	-179.7	0	0	0	115	W13 R18 H19	W13-L16 HydrophobicContact CD2-CB 4.16Å; W13-L16 HydrophobicContact CE3-CB 3.77Å; W13-L16 HydrophobicContact CZ3-CB 4.06Å; W13-L16 PolarHBondContact O-N 2.84Å; W13-L16 VanDerWaalsContact O-N 3.11Å; L16-R18 PolarHBondContact O-N 3.25Å; L16-H19 HydrophobicContact CD2-CB 4.2Å; L16-H19 WeakPolarHBondContact CD2-CD2 3.37Å; L16-H19 WeakPolarHBondContact CD2-NE2 3.01Å
17	R	33	Very low	43.6	Very low	257 Å²	257	107 Å²	107	97%	0.97	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	0.2	157.1	-83.4	-172.9	172.6	-158.4	-2.6	113.6
18	R	34.8	Very low	45.4	Very low	212 Å²	212	107.2 Å²	107.2	80%	0.8	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	10.6	-170.6	-70.2	-174.9	-177.9	174.3	0.9	115.1	L16	L16-R18 PolarHBondContact O-N 3.25Å
19	H	39.6	Very low	47.7	Very low	85 Å²	85	105.1 Å²	105.1	39%	0.394	50%	0.497	S	S	.	.			trans	-122.1	58.7	-175.2	-77.8	-0.8	0	0	0	114.2	L16 S21 S22	L16-H19 HydrophobicContact CD2-CB 4.2Å; L16-H19 WeakPolarHBondContact CD2-CD2 3.37Å; L16-H19 WeakPolarHBondContact CD2-NE2 3.01Å; H19-S21 PolarHBondContact O-N 2.73Å; H19-S22 WeakPolarHBondContact CB-OG 3.32Å; H19-S22 WeakPolarHBondContact CD2-CB 3.36Å
20	S	41.4	Very low	49.9	Very low	80 Å²	80	103.3 Å²	103.3	56%	0.559	48%	0.484	S	S	*	.	S	Bend	trans	-60	-9.1	145.1	50.4	0	0	0	0	112.4
21	S	38.6	Very low	52.5	Low	65 Å²	65	95.4 Å²	95.4	46%	0.455	45%	0.454	S	S	.	.	S	Bend	trans	-113.1	-3.4	-169.1	57.1	0	0	0	0	117	H19	H19-S21 PolarHBondContact O-N 2.73Å
22	S	36.5	Very low	55.6	Low	59 Å²	59	84.3 Å²	84.3	41%	0.413	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-3.5	-172.2	68.4	0	0	0	0	116.3	H19	H19-S22 WeakPolarHBondContact CB-OG 3.32Å; H19-S22 WeakPolarHBondContact CD2-CB 3.36Å
23	S	46.8	Very low	58.7	Low	26 Å²	26	79.2 Å²	79.2	18%	0.182	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	45.8	173.6	65	0	0	0	0	111.4	G25 Q28	S23-G25 PolarHBondContact O-N 3.5Å; S23-Q28 PolarHBondContact OG-NE2 2.99Å
24	Q	55.8	Low	61.6	Low	176 Å²	176	74.3 Å²	74.3	82%	0.822	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	115.5	178.4	-81.7	-179.8	-18.8	0	0	110.3
25	G	68.2	Low	64.7	Low	43 Å²	43	62.3 Å²	62.3	44%	0.443	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	101	7.2	165.5	0	0	0	0	0	117.9	S23 P258 D259	S23-G25 PolarHBondContact O-N 3.5Å; G25-P258 CarbonylContact O-C 3.46Å; G25-P258 WeakPolarHBondContact O-CA 3.21Å; G25-D259 PolarHBondContact O-N 2.65Å
26	Y	79.4	Confident	68	Low	85 Å²	85	64.1 Å²	64.1	33%	0.333	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.9	176	-67.5	-85.7	0	0	0	113.3	L2 D256 I257	L2-Y26 HydrophobicContact CD1-CD1 3.9Å; L2-Y26 HydrophobicContact CD1-CD2 4.32Å; L2-Y26 HydrophobicContact CD1-CE1 3.5Å; L2-Y26 HydrophobicContact CD1-CE2 3.95Å; L2-Y26 HydrophobicContact CD1-CG 4.29Å; L2-Y26 HydrophobicContact CD2-CD2 3.74Å; L2-Y26 HydrophobicContact CD2-CE2 3.83Å; L2-Y26 HydrophobicContact CD2-CG 4.12Å; L2-Y26 HydrophobicContact CG-CE2 4.34Å; Y26-D256 WeakPolarHBondContact CE1-O 3.34Å; Y26-I257 CarbonylContact C-O 3.55Å; Y26-I257 WeakPolarHBondContact CA-O 3.1Å
27	Q	80.4	Confident	70.9	Confident	18 Å²	18	70.2 Å²	70.2	8%	0.084	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	137.7	-179.5	-174.1	179.8	32.9	0	0	110.5	T255 I257	Q27-T255 WeakPolarHBondContact CB-OG1 3.21Å; Q27-T255 WeakPolarHBondContact O-CB 3.36Å; Q27-T255 WeakPolarHBondContact O-CG2 3.33Å; Q27-T255 PolarHBondContact O-N 2.84Å; Q27-T255 PolarHBondContact O-OG1 2.79Å; Q27-I257 HydrophobicContact CB-CB 4.33Å; Q27-I257 PolarHBondContact N-O 3.13Å
28	Q	84.7	Confident	73.9	Confident	40 Å²	40	58.3 Å²	58.3	19%	0.187	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.2	172.9	-65.8	179	-16.9	0	0	110.6	S23 C120 M252 F253 L254	S23-Q28 PolarHBondContact OG-NE2 2.99Å; Q28-C120 WeakPolarHBondContact O-CB 3.33Å; Q28-C120 PolarHBondContact O-N 2.9Å; Q28-M252 HydrophobicContact CB-CB 4.06Å; Q28-F253 CarbonylContact C-O 3.48Å; Q28-F253 VanDerWaalsContact CA-O 3.31Å; Q28-F253 WeakPolarHBondContact CA-O 3.44Å; Q28-L254 HydrophobicContact CG-CD1 4.06Å
29	A	88.3	Confident	76.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.7	178.5	0	0	0	0	0	111.6	L56 Y117 L118 F253 T255	A29-L56 HydrophobicContact CB-CD1 4.1Å; A29-Y117 HydrophobicContact CB-CD1 4.27Å; A29-L118 CarbonylContact C-O 3.56Å; A29-L118 WeakPolarHBondContact CA-O 3.49Å; A29-F253 HydrophobicContact CB-CB 4.47Å; A29-F253 PolarHBondContact N-O 2.89Å; A29-F253 PolarHBondContact O-N 3.24Å; A29-T255 HydrophobicContact CB-CG2 4.43Å
30	N	90.6	Very high	79.6	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.053	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	142.5	159.1	-61.1	-72.2	0	0	0	108.4	L118 G119 C120 H247	N30-L118 HydrophobicContact CB-CB 4.23Å; N30-L118 PolarHBondContact N-O 3.2Å; N30-L118 PolarHBondContact O-N 3.39Å; N30-G119 PolarHBondContact ND2-O 3.42Å; N30-C120 WeakPolarHBondContact ND2-CB 3.42Å; N30-H247 PolarHBondContact OD1-CE1 3.49Å; N30-H247 PolarHBondContact OD1-NE2 3.43Å; N30-H247 VanDerWaalsContact OD1-NE2 3.1Å
31	V	93.9	Very high	82.2	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.3	179.8	171.3	0	0	0	0	111	V33 I75 I79 T115 F116 Y117 S246 H247 F253	V31-V33 HydrophobicContact CG1-CG2 4.14Å; V31-I75 HydrophobicContact CG1-CD1 3.92Å; V31-I75 HydrophobicContact CG1-CG1 4.14Å; V31-I75 HydrophobicContact CG2-CD1 4.06Å; V31-I79 HydrophobicContact CB-CD1 3.75Å; V31-I79 HydrophobicContact CG1-CD1 4.14Å; V31-I79 HydrophobicContact CG2-CD1 3.73Å; V31-T115 HydrophobicContact CG1-CG2 3.9Å; V31-F116 WeakPolarHBondContact CA-O 3.27Å; V31-Y117 HydrophobicContact CG2-CD1 3.75Å; V31-Y117 HydrophobicContact CG2-CE1 3.97Å; V31-Y117 HydrophobicContact CG2-CG 4.49Å; V31-S246 VanDerWaalsContact O-CA 3.24Å; V31-S246 WeakPolarHBondContact O-CA 3.39Å; V31-S246 WeakPolarHBondContact O-CB 3.47Å; V31-H247 PolarHBondContact N-ND1 2.93Å; V31-H247 PolarHBondContact O-N 3.37Å; V31-H247 VanDerWaalsContact O-N 3.08Å; V31-H247 PolarHBondContact O-ND1 3.05Å; V31-F253 HydrophobicContact CG2-CB 3.76Å
32	V	96.6	Very high	85	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.6	171.1	166.8	0	0	0	0	109	L34 F42 F116 S232 I236 F245	V32-L34 HydrophobicContact CG1-CD1 3.83Å; V32-L34 HydrophobicContact CG1-CD2 4.02Å; V32-L34 HydrophobicContact CG1-CG 3.61Å; V32-F42 HydrophobicContact CG1-CE1 4.24Å; V32-F42 HydrophobicContact CG1-CZ 4.19Å; V32-F116 PolarHBondContact N-O 3.08Å; V32-F116 PolarHBondContact O-N 2.92Å; V32-S232 WeakPolarHBondContact CG2-OG 3.08Å; V32-I236 HydrophobicContact CG1-CD1 3.96Å; V32-I236 HydrophobicContact CG1-CG1 4.33Å; V32-I236 HydrophobicContact CG2-CD1 4.15Å; V32-F245 CarbonylContact C-O 3.46Å; V32-F245 WeakPolarHBondContact CA-O 3.36Å
33	V	96.6	Very high	87.9	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.9	178.2	-176.3	0	0	0	0	108.2	V31 L110 M113 V114 T115 A244 F245	V31-V33 HydrophobicContact CG1-CG2 4.14Å; V33-L110 HydrophobicContact CG1-CD2 4.43Å; V33-M113 HydrophobicContact CG1-CB 3.66Å; V33-M113 HydrophobicContact CG1-CG 4.21Å; V33-M113 HydrophobicContact CG1-SD 4.32Å; V33-V114 CarbonylContact C-O 3.52Å; V33-V114 WeakPolarHBondContact CA-O 3.36Å; V33-T115 HydrophobicContact CG2-CG2 4.15Å; V33-A244 WeakPolarHBondContact O-CA 3.47Å; V33-F245 HydrophobicContact CB-CB 3.97Å; V33-F245 HydrophobicContact CB-CD2 3.96Å; V33-F245 HydrophobicContact CB-CG 4.44Å; V33-F245 HydrophobicContact CG1-CD2 3.94Å; V33-F245 HydrophobicContact CG2-CB 4.3Å; V33-F245 PolarHBondContact N-O 3.14Å; V33-F245 PolarHBondContact O-N 2.76Å
34	L	96.9	Very high	90.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.9	-172.7	-65.3	170.8	0	0	0	111.6	V32 I38 F42 M113 V114 F116 F159 I236 P241 A244	V32-L34 HydrophobicContact CG1-CD1 3.83Å; V32-L34 HydrophobicContact CG1-CD2 4.02Å; V32-L34 HydrophobicContact CG1-CG 3.61Å; L34-I38 HydrophobicContact CB-CD1 4.32Å; L34-I38 HydrophobicContact CB-CG1 4.27Å; L34-I38 HydrophobicContact CD2-CD1 4.19Å; L34-F42 HydrophobicContact CD1-CB 3.77Å; L34-F42 HydrophobicContact CD1-CD1 3.66Å; L34-F42 HydrophobicContact CD1-CD2 3.72Å; L34-F42 HydrophobicContact CD1-CE1 4.15Å; L34-F42 HydrophobicContact CD1-CE2 4.21Å; L34-F42 HydrophobicContact CD1-CG 3.41Å; L34-F42 VanDerWaalsContact CD1-CG 3.41Å; L34-F42 HydrophobicContact CD1-CZ 4.4Å; L34-M113 CarbonylContact O-C 3.53Å; L34-M113 WeakPolarHBondContact O-CA 3.46Å; L34-V114 PolarHBondContact N-O 2.88Å; L34-V114 PolarHBondContact O-N 2.93Å; L34-F116 HydrophobicContact CB-CE2 4.41Å; L34-F116 HydrophobicContact CD1-CD2 4.35Å; L34-F116 HydrophobicContact CD1-CE2 4.16Å; L34-F159 HydrophobicContact CD1-CE1 4.36Å; L34-F159 HydrophobicContact CD1-CZ 4.08Å; L34-I236 HydrophobicContact CD2-CG1 4.02Å; L34-P241 HydrophobicContact CD2-CG 4.39Å; L34-A244 HydrophobicContact CD2-CB 3.79Å
35	P	95.5	Very high	92.2	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	139.8	171	-23.6	34.5	0	0	0	111.6	R37 I38 A39 M113 P241 L243	P35-R37 HydrophobicContact CB-CG 3.93Å; P35-R37 PolarHBondContact O-N 3.06Å; P35-I38 HydrophobicContact CB-CG1 4.44Å; P35-I38 VanDerWaalsContact O-CG1 3.3Å; P35-I38 WeakPolarHBondContact O-CG1 3.34Å; P35-I38 PolarHBondContact O-N 3Å; P35-I38 VanDerWaalsContact O-N 3.08Å; P35-A39 PolarHBondContact O-N 3.05Å; P35-M113 HydrophobicContact CG-CE 4.3Å; P35-M113 HydrophobicContact CG-SD 4.17Å; P35-P241 HydrophobicContact CG-CB 4.4Å; P35-L243 VanDerWaalsContact CD-O 3.28Å; P35-L243 WeakPolarHBondContact CD-O 3.47Å; P35-L243 VanDerWaalsContact CG-O 3.31Å; P35-L243 WeakPolarHBondContact CG-O 3.44Å
36	R	95.4	Very high	93.5	Very high	139 Å²	139	36.4 Å²	36.4	53%	0.525	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-48.3	-40.6	179.3	-178.6	-172.8	175.4	110.9	6.4	113	I38 A39 D112 V114	R36-I38 PolarHBondContact O-N 3.24Å; R36-I38 VanDerWaalsContact O-N 3.09Å; R36-A39 VanDerWaalsContact O-CB 3.31Å; R36-A39 WeakPolarHBondContact O-CB 3.48Å; R36-A39 PolarHBondContact O-N 3.05Å; R36-A39 VanDerWaalsContact O-N 3.09Å; R36-D112 WeakPolarHBondContact CB-O 3.47Å; R36-D112 WeakPolarHBondContact CB-OD1 3.24Å; R36-D112 VanDerWaalsContact CD-OD1 3.31Å; R36-D112 WeakPolarHBondContact CD-OD1 3.38Å; R36-D112 PolarHBondContact N-O 3.3Å; R36-V114 HydrophobicContact CB-CG2 4.38Å
37	R	95.3	Very high	94.2	Very high	170 Å²	170	36.3 Å²	36.3	64%	0.642	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-57.6	-22.7	-177.2	59.6	162.3	-162.9	-140.6	19.8	115.5	P35 P242	P35-R37 HydrophobicContact CB-CG 3.93Å; P35-R37 PolarHBondContact O-N 3.06Å; R37-P242 VanDerWaalsContact NH2-CG 3.28Å
38	I	96.3	Very high	94.8	Very high	6 Å²	6	36 Å²	36	3%	0.031	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-117.1	5.1	-179.1	61.6	168.3	0	0	0	111.7	L34 P35 R36 F42 E158 F159 P241	L34-I38 HydrophobicContact CB-CD1 4.32Å; L34-I38 HydrophobicContact CB-CG1 4.27Å; L34-I38 HydrophobicContact CD2-CD1 4.19Å; P35-I38 HydrophobicContact CB-CG1 4.44Å; P35-I38 VanDerWaalsContact O-CG1 3.3Å; P35-I38 WeakPolarHBondContact O-CG1 3.34Å; P35-I38 PolarHBondContact O-N 3Å; P35-I38 VanDerWaalsContact O-N 3.08Å; R36-I38 PolarHBondContact O-N 3.24Å; R36-I38 VanDerWaalsContact O-N 3.09Å; I38-F42 PolarHBondContact O-N 2.97Å; I38-F42 VanDerWaalsContact O-N 3.12Å; I38-E158 WeakPolarHBondContact CD1-OE1 3.29Å; I38-E158 VanDerWaalsContact CG2-CD 3.44Å; I38-E158 HydrophobicContact CG2-CG 4.33Å; I38-E158 WeakPolarHBondContact CG2-OE1 3.31Å; I38-F159 HydrophobicContact CB-CE2 4.43Å; I38-F159 HydrophobicContact CB-CZ 4.26Å; I38-F159 HydrophobicContact CD1-CZ 3.98Å; I38-F159 HydrophobicContact CG1-CZ 4.35Å; I38-F159 WeakPolarHBondContact O-CE2 3.45Å; I38-P241 HydrophobicContact CD1-CB 3.86Å
39	A	96.6	Very high	95.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.3	-39.6	-174.5	0	0	0	0	0	112.5	P35 R36 F42 E43 V114 F116	P35-A39 PolarHBondContact O-N 3.05Å; R36-A39 VanDerWaalsContact O-CB 3.31Å; R36-A39 WeakPolarHBondContact O-CB 3.48Å; R36-A39 PolarHBondContact O-N 3.05Å; R36-A39 VanDerWaalsContact O-N 3.09Å; A39-F42 PolarHBondContact O-N 3.22Å; A39-E43 PolarHBondContact O-N 3.28Å; A39-V114 HydrophobicContact CB-CB 3.83Å; A39-V114 HydrophobicContact CB-CG1 4.08Å; A39-V114 HydrophobicContact CB-CG2 3.73Å; A39-F116 HydrophobicContact CB-CE2 4.17Å; A39-F116 HydrophobicContact CB-CZ 3.87Å; A39-F116 WeakPolarHBondContact O-CZ 3.3Å
40	D	97.2	Very high	95.4	Very high	98 Å²	98	36.5 Å²	36.5	52%	0.524	17%	0.172	S	C	.	.	H	α-helix	trans	-65.8	-43.5	178.8	-65.9	-25.9	0	0	0	111.1	F42 E43 D44 R58	D40-F42 VanDerWaalsContact C-N 3.26Å; D40-F42 PolarHBondContact O-N 3.26Å; D40-E43 PolarHBondContact O-N 3.04Å; D40-D44 PolarHBondContact O-N 2.93Å; D40-R58 IonicContact OD1-CZ 3.67Å; D40-R58 IonicContact OD1-NH1 2.86Å; D40-R58 PolarHBondContact OD1-NH1 2.97Å; D40-R58 IonicContact OD1-NH2 3.3Å; D40-R58 PolarHBondContact OD1-NH2 2.79Å
41	D	97.1	Very high	95.4	Very high	62 Å²	62	36.2 Å²	36.2	33%	0.332	17%	0.171	S	C	.	.	H	α-helix	trans	-60.7	-36.5	173.9	-76	-13.7	0	0	0	112	F45 G157 F159	D41-F45 VanDerWaalsContact O-CB 3.29Å; D41-F45 WeakPolarHBondContact O-CB 3.38Å; D41-F45 PolarHBondContact O-N 3.03Å; D41-G157 WeakPolarHBondContact OD2-CA 3.28Å; D41-F159 HydrophobicContact CB-CD2 4.04Å; D41-F159 HydrophobicContact CB-CE2 3.86Å
42	F	97.6	Very high	95.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71.9	-37.1	178.1	-170.4	-108.1	0	0	0	112.4	V32 L34 I38 A39 D40 F45 C46 F116 L118 F159 A235	V32-F42 HydrophobicContact CG1-CE1 4.24Å; V32-F42 HydrophobicContact CG1-CZ 4.19Å; L34-F42 HydrophobicContact CD1-CB 3.77Å; L34-F42 HydrophobicContact CD1-CD1 3.66Å; L34-F42 HydrophobicContact CD1-CD2 3.72Å; L34-F42 HydrophobicContact CD1-CE1 4.15Å; L34-F42 HydrophobicContact CD1-CE2 4.21Å; L34-F42 HydrophobicContact CD1-CG 3.41Å; L34-F42 VanDerWaalsContact CD1-CG 3.41Å; L34-F42 HydrophobicContact CD1-CZ 4.4Å; I38-F42 PolarHBondContact O-N 2.97Å; I38-F42 VanDerWaalsContact O-N 3.12Å; A39-F42 PolarHBondContact O-N 3.22Å; D40-F42 VanDerWaalsContact C-N 3.26Å; D40-F42 PolarHBondContact O-N 3.26Å; F42-F45 HydrophobicContact CD2-CD1 4.29Å; F42-F45 HydrophobicContact CE2-CD1 4.24Å; F42-F45 WeakPolarHBondContact O-CB 3.48Å; F42-F45 PolarHBondContact O-N 2.89Å; F42-C46 VanDerWaalsContact CE1-SG 3.57Å; F42-C46 PolarHBondContact O-N 2.95Å; F42-C46 PolarHBondContact O-SG 2.65Å; F42-F116 HydrophobicContact CB-CE2 4.47Å; F42-F116 HydrophobicContact CB-CZ 4.22Å; F42-F116 HydrophobicContact CD1-CB 4.36Å; F42-F116 AromaticContact CD1-CD1 3.7Å; F42-F116 HydrophobicContact CD1-CD1 3.7Å; F42-F116 AromaticContact CD1-CD2 3.62Å; F42-F116 HydrophobicContact CD1-CD2 3.62Å; F42-F116 AromaticContact CD1-CE1 3.79Å; F42-F116 HydrophobicContact CD1-CE1 3.79Å; F42-F116 AromaticContact CD1-CE2 3.71Å; F42-F116 HydrophobicContact CD1-CE2 3.71Å; F42-F116 AromaticContact CD1-CG 3.61Å; F42-F116 HydrophobicContact CD1-CG 3.61Å; F42-F116 AromaticContact CD1-CZ 3.79Å; F42-F116 HydrophobicContact CD1-CZ 3.79Å; F42-F116 HydrophobicContact CE1-CB 3.92Å; F42-F116 HydrophobicContact CE1-CD1 4.04Å; F42-F116 AromaticContact CE1-CD2 3.93Å; F42-F116 HydrophobicContact CE1-CD2 3.93Å; F42-F116 HydrophobicContact CE1-CE2 4.48Å; F42-F116 AromaticContact CE1-CG 3.69Å; F42-F116 HydrophobicContact CE1-CG 3.69Å; F42-F116 HydrophobicContact CG-CE2 4.48Å; F42-F116 HydrophobicContact CG-CZ 4.49Å; F42-L118 HydrophobicContact CZ-CD1 4.47Å; F42-F159 VanDerWaalsContact CA-CE2 3.49Å; F42-F159 HydrophobicContact CB-CD2 4.24Å; F42-F159 HydrophobicContact CB-CE1 4.43Å; F42-F159 HydrophobicContact CB-CE2 3.52Å; F42-F159 HydrophobicContact CB-CZ 3.63Å; F42-F159 AromaticContact CD2-CD1 3.88Å; F42-F159 HydrophobicContact CD2-CD1 3.88Å; F42-F159 HydrophobicContact CD2-CD2 4.26Å; F42-F159 AromaticContact CD2-CE1 3.58Å; F42-F159 HydrophobicContact CD2-CE1 3.58Å; F42-F159 HydrophobicContact CD2-CE2 4.02Å; F42-F159 HydrophobicContact CD2-CG 4.2Å; F42-F159 AromaticContact CD2-CZ 3.66Å; F42-F159 HydrophobicContact CD2-CZ 3.66Å; F42-F159 HydrophobicContact CE2-CD1 4.49Å; F42-F159 HydrophobicContact CE2-CE1 4.33Å; F42-F159 HydrophobicContact CG-CE1 4.4Å; F42-F159 HydrophobicContact CG-CE2 4.27Å; F42-F159 HydrophobicContact CG-CZ 4.04Å; F42-F159 VanDerWaalsContact N-CE2 3.33Å; F42-A235 HydrophobicContact CE2-CB 4.05Å
43	E	97.2	Very high	95.3	Very high	48 Å²	48	36.2 Å²	36.2	22%	0.224	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-48.1	173.2	-179.4	170.2	-164.3	0	0	110.9	A39 D40 F45 C46 H47 L55 R58 F116	A39-E43 PolarHBondContact O-N 3.28Å; D40-E43 PolarHBondContact O-N 3.04Å; E43-F45 VanDerWaalsContact C-N 3.25Å; E43-F45 PolarHBondContact O-N 2.9Å; E43-C46 WeakPolarHBondContact O-CB 3.48Å; E43-C46 PolarHBondContact O-N 3.19Å; E43-C46 VanDerWaalsContact O-N 3.09Å; E43-H47 PolarHBondContact O-N 3.45Å; E43-H47 IonicContact OE1-CE1 2.67Å; E43-L55 HydrophobicContact CG-CD2 3.91Å; E43-R58 WeakPolarHBondContact OE2-CD 3.18Å; E43-R58 IonicContact OE2-CZ 2.9Å; E43-R58 IonicContact OE2-NE 3.69Å; E43-R58 IonicContact OE2-NH1 2.71Å; E43-R58 PolarHBondContact OE2-NH1 3.21Å; E43-F116 HydrophobicContact CB-CE1 4.2Å
44	D	95.9	Very high	95.1	Very high	77 Å²	77	36.7 Å²	36.7	41%	0.412	17%	0.174	S	C	.	.	H	α-helix	trans	-58.9	-38.6	174	-89.3	3.8	0	0	0	112	D40 H47 S48 K156	D40-D44 PolarHBondContact O-N 2.93Å; D44-H47 PolarHBondContact O-N 3.33Å; D44-S48 WeakPolarHBondContact O-CB 3.5Å; D44-S48 PolarHBondContact O-N 2.89Å; D44-S48 PolarHBondContact O-OG 3.18Å; D44-K156 HydrophobicContact CB-CB 4.3Å; D44-K156 HydrophobicContact CB-CD 4.19Å; D44-K156 HydrophobicContact CB-CG 4.11Å
45	F	96.6	Very high	94.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-42.9	174.6	-173.1	-113.9	0	0	0	111.6	D41 F42 E43 S48 N49 L53 C153 I154 K156 F159 A235	D41-F45 VanDerWaalsContact O-CB 3.29Å; D41-F45 WeakPolarHBondContact O-CB 3.38Å; D41-F45 PolarHBondContact O-N 3.03Å; F42-F45 HydrophobicContact CD2-CD1 4.29Å; F42-F45 HydrophobicContact CE2-CD1 4.24Å; F42-F45 WeakPolarHBondContact O-CB 3.48Å; F42-F45 PolarHBondContact O-N 2.89Å; E43-F45 VanDerWaalsContact C-N 3.25Å; E43-F45 PolarHBondContact O-N 2.9Å; F45-S48 PolarHBondContact O-N 3.03Å; F45-N49 WeakPolarHBondContact CD2-ND2 3.47Å; F45-N49 WeakPolarHBondContact CE2-ND2 3.46Å; F45-N49 WeakPolarHBondContact O-CB 3.46Å; F45-N49 PolarHBondContact O-N 3.48Å; F45-N49 VanDerWaalsContact O-N 3.11Å; F45-N49 PolarHBondContact O-ND2 2.88Å; F45-L53 HydrophobicContact CD1-CD1 3.42Å; F45-L53 VanDerWaalsContact CD1-CD1 3.42Å; F45-L53 HydrophobicContact CE1-CD1 3.41Å; F45-L53 VanDerWaalsContact CE1-CD1 3.41Å; F45-L53 HydrophobicContact CG-CD1 4.47Å; F45-L53 HydrophobicContact CZ-CD1 4.44Å; F45-C153 HydrophobicContact CE2-CB 3.72Å; F45-C153 HydrophobicContact CZ-CB 3.48Å; F45-C153 VanDerWaalsContact CZ-CB 3.48Å; F45-I154 VanDerWaalsContact CD2-O 3.26Å; F45-I154 WeakPolarHBondContact CD2-O 3.36Å; F45-I154 WeakPolarHBondContact CE2-O 3.28Å; F45-K156 HydrophobicContact CB-CB 3.93Å; F45-K156 HydrophobicContact CB-CG 4.46Å; F45-K156 HydrophobicContact CD2-CB 4.2Å; F45-F159 HydrophobicContact CB-CB 4.17Å; F45-F159 HydrophobicContact CB-CD2 4.32Å; F45-F159 HydrophobicContact CB-CG 4.42Å; F45-F159 HydrophobicContact CD1-CB 3.93Å; F45-F159 HydrophobicContact CD1-CG 4.35Å; F45-F159 HydrophobicContact CD2-CB 3.67Å; F45-F159 HydrophobicContact CE1-CB 4.19Å; F45-F159 HydrophobicContact CE2-CB 3.97Å; F45-F159 HydrophobicContact CG-CB 3.65Å; F45-F159 HydrophobicContact CG-CG 4.26Å; F45-F159 HydrophobicContact CZ-CB 4.22Å; F45-A235 HydrophobicContact CE1-CB 3.93Å
46	C	95.4	Very high	94.8	Very high	1 Å²	1	40 Å²	40	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-47.4	175.6	-66.2	0	0	0	0	111.3	F42 E43 S48 N49 L53 L55	F42-C46 VanDerWaalsContact CE1-SG 3.57Å; F42-C46 PolarHBondContact O-N 2.95Å; F42-C46 PolarHBondContact O-SG 2.65Å; E43-C46 WeakPolarHBondContact O-CB 3.48Å; E43-C46 PolarHBondContact O-N 3.19Å; E43-C46 VanDerWaalsContact O-N 3.09Å; C46-S48 VanDerWaalsContact C-N 3.26Å; C46-S48 PolarHBondContact O-N 3.01Å; C46-N49 CarbonylContact O-C 3.54Å; C46-N49 PolarHBondContact O-N 2.65Å; C46-L53 HydrophobicContact CB-CB 4.07Å; C46-L55 HydrophobicContact CB-CB 4.16Å
47	H	93.3	Very high	94.7	Very high	83 Å²	83	35.4 Å²	35.4	38%	0.384	17%	0.174	S	C	.	.	H	α-helix	trans	-62.5	-32.7	177.3	-68.2	156.8	0	0	0	112.9	E43 D44 N49 L548	E43-H47 PolarHBondContact O-N 3.45Å; E43-H47 IonicContact OE1-CE1 2.67Å; D44-H47 PolarHBondContact O-N 3.33Å; H47-N49 VanDerWaalsContact C-N 3.29Å; H47-N49 PolarHBondContact O-N 3.45Å; H47-L548 WeakPolarHBondContact O-CD2 3.45Å
48	S	93.7	Very high	94.8	Very high	13 Å²	13	30.8 Å²	30.8	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-77	-15.1	175.7	-56	0	0	0	0	113.2	D44 F45 C46 K156 G547	D44-S48 WeakPolarHBondContact O-CB 3.5Å; D44-S48 PolarHBondContact O-N 2.89Å; D44-S48 PolarHBondContact O-OG 3.18Å; F45-S48 PolarHBondContact O-N 3.03Å; C46-S48 VanDerWaalsContact C-N 3.26Å; C46-S48 PolarHBondContact O-N 3.01Å; S48-K156 WeakPolarHBondContact OG-CE 3.34Å; S48-G547 WeakPolarHBondContact O-CA 3.31Å; S48-G547 PolarHBondContact O-N 3.03Å
49	N	94.6	Very high	94.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-135.1	59.3	-176.2	-58.7	-75.4	0	0	0	111.3	F45 C46 H47 A51 P52 L53 C153 I154 L546	F45-N49 WeakPolarHBondContact CD2-ND2 3.47Å; F45-N49 WeakPolarHBondContact CE2-ND2 3.46Å; F45-N49 WeakPolarHBondContact O-CB 3.46Å; F45-N49 PolarHBondContact O-N 3.48Å; F45-N49 VanDerWaalsContact O-N 3.11Å; F45-N49 PolarHBondContact O-ND2 2.88Å; C46-N49 CarbonylContact O-C 3.54Å; C46-N49 PolarHBondContact O-N 2.65Å; H47-N49 VanDerWaalsContact C-N 3.29Å; H47-N49 PolarHBondContact O-N 3.45Å; N49-A51 VanDerWaalsContact C-N 3.34Å; N49-A51 PolarHBondContact O-N 3.19Å; N49-P52 HydrophobicContact CB-CG 3.96Å; N49-P52 WeakPolarHBondContact O-CD 3.32Å; N49-P52 WeakPolarHBondContact O-CG 3.43Å; N49-L53 HydrophobicContact CB-CD1 4.32Å; N49-L53 WeakPolarHBondContact O-CB 3.28Å; N49-L53 PolarHBondContact O-N 3.39Å; N49-C153 WeakPolarHBondContact OD1-CA 3.33Å; N49-C153 WeakPolarHBondContact OD1-CB 3.48Å; N49-I154 PolarHBondContact ND2-O 3.24Å; N49-I154 PolarHBondContact OD1-N 3.47Å; N49-L546 HydrophobicContact CB-CD2 4.33Å
50	P	91.4	Very high	94.7	Very high	50 Å²	50	37.1 Å²	37.1	33%	0.325	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.7	-165.5	28.4	-36.2	0	0	0	113.9	P54	P50-P54 WeakPolarHBondContact O-CA 3.49Å
51	A	91.3	Very high	94.6	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.033	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-54	176.6	0	0	0	0	0	112.5	N49 H189 A227 G545	N49-A51 VanDerWaalsContact C-N 3.34Å; N49-A51 PolarHBondContact O-N 3.19Å; A51-H189 WeakPolarHBondContact O-CA 3.36Å; A51-H189 WeakPolarHBondContact O-CB 3.31Å; A51-H189 PolarHBondContact O-ND1 3.07Å; A51-A227 HydrophobicContact CB-CB 3.94Å; A51-G545 WeakPolarHBondContact CB-O 3.49Å; A51-G545 PolarHBondContact N-O 2.79Å
52	P	93.4	Very high	94.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-29.8	175.2	26.3	-34.7	0	0	0	113.6	N49 P54 L163 A227 G229 T231 L546	N49-P52 HydrophobicContact CB-CG 3.96Å; N49-P52 WeakPolarHBondContact O-CD 3.32Å; N49-P52 WeakPolarHBondContact O-CG 3.43Å; P52-P54 VanDerWaalsContact O-CD 3.32Å; P52-P54 WeakPolarHBondContact O-CD 3.46Å; P52-L163 HydrophobicContact CB-CD1 3.64Å; P52-L163 HydrophobicContact CG-CD1 3.79Å; P52-A227 HydrophobicContact CB-CB 4.09Å; P52-G229 WeakPolarHBondContact O-CA 3.36Å; P52-T231 HydrophobicContact CB-CG2 3.92Å; P52-T231 WeakPolarHBondContact CB-OG1 3.21Å; P52-T231 HydrophobicContact CG-CG2 4.32Å; P52-L546 HydrophobicContact CG-CD2 3.9Å
53	L	94.3	Very high	94.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.			trans	-123.8	61.8	-172.6	-53.8	175.5	0	0	0	112.2	F45 C46 N49 L55 L118 T231	F45-L53 HydrophobicContact CD1-CD1 3.42Å; F45-L53 VanDerWaalsContact CD1-CD1 3.42Å; F45-L53 HydrophobicContact CE1-CD1 3.41Å; F45-L53 VanDerWaalsContact CE1-CD1 3.41Å; F45-L53 HydrophobicContact CG-CD1 4.47Å; F45-L53 HydrophobicContact CZ-CD1 4.44Å; C46-L53 HydrophobicContact CB-CB 4.07Å; N49-L53 HydrophobicContact CB-CD1 4.32Å; N49-L53 WeakPolarHBondContact O-CB 3.28Å; N49-L53 PolarHBondContact O-N 3.39Å; L53-L55 PolarHBondContact O-N 3.25Å; L53-L118 HydrophobicContact CD2-CD1 3.81Å; L53-T231 HydrophobicContact CD2-CG2 4.42Å
54	P	91.8	Very high	93.9	Very high	11 Å²	11	34.2 Å²	34.2	7%	0.071	18%	0.181	C	C	.	.			trans	-69.6	96.4	178.9	27.5	-31.6	0	0	0	109.8	P50 P52 L56 L118 G119	P50-P54 WeakPolarHBondContact O-CA 3.49Å; P52-P54 VanDerWaalsContact O-CD 3.32Å; P52-P54 WeakPolarHBondContact O-CD 3.46Å; P54-L56 PolarHBondContact O-N 2.86Å; P54-L118 CarbonylContact O-C 3.39Å; P54-L118 VanDerWaalsContact O-CA 3.32Å; P54-L118 WeakPolarHBondContact O-CA 3.19Å; P54-G119 PolarHBondContact O-N 2.77Å
55	L	93.6	Very high	93.7	Very high	43 Å²	43	32.2 Å²	32.2	23%	0.225	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	116.6	-178	-176.2	61.2	0	0	0	110.8	E43 C46 L53 Y57 F116 L118	E43-L55 HydrophobicContact CG-CD2 3.91Å; C46-L55 HydrophobicContact CB-CB 4.16Å; L53-L55 PolarHBondContact O-N 3.25Å; L55-Y57 WeakPolarHBondContact CD1-O 3.12Å; L55-F116 HydrophobicContact CD1-CB 4.44Å; L55-F116 HydrophobicContact CD1-CD1 3.87Å; L55-L118 HydrophobicContact CB-CD2 4.37Å; L55-L118 HydrophobicContact CD1-CD2 3.8Å
56	L	92.2	Very high	93.4	Very high	34 Å²	34	32.2 Å²	32.2	18%	0.178	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-41.2	175.8	-57.5	179.8	0	0	0	111.4	A29 P54 L69 Y117 R187	A29-L56 HydrophobicContact CB-CD1 4.1Å; P54-L56 PolarHBondContact O-N 2.86Å; L56-L69 HydrophobicContact CB-CD1 4.15Å; L56-L69 HydrophobicContact CB-CD2 4.06Å; L56-Y117 WeakPolarHBondContact CB-O 3.34Å; L56-Y117 PolarHBondContact N-O 3.08Å; L56-R187 HydrophobicContact CD2-CB 4.15Å
57	Y	94.9	Very high	93.1	Very high	43 Å²	43	36.8 Å²	36.8	17%	0.169	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	143.2	-179.1	-177	-113.3	0	0	0	111.8	L55 E63 C66 P68 L69 Y117	L55-Y57 WeakPolarHBondContact CD1-O 3.12Å; Y57-E63 PolarHBondContact OH-OE1 3.42Å; Y57-E63 PolarHBondContact OH-OE2 2.79Å; Y57-C66 HydrophobicContact CD1-CB 3.79Å; Y57-C66 HydrophobicContact CE1-CB 3.81Å; Y57-P68 HydrophobicContact CD2-CB 4.28Å; Y57-P68 HydrophobicContact CD2-CG 3.98Å; Y57-P68 HydrophobicContact CE2-CB 4.48Å; Y57-P68 HydrophobicContact CE2-CG 3.69Å; Y57-L69 HydrophobicContact CG-CD1 4.47Å; Y57-L69 HydrophobicContact CG-CG 4.44Å; Y57-Y117 AromaticContact CD1-CD2 3.67Å; Y57-Y117 HydrophobicContact CD1-CD2 3.67Å; Y57-Y117 AromaticContact CD1-CE2 3.81Å; Y57-Y117 HydrophobicContact CD1-CE2 3.81Å; Y57-Y117 HydrophobicContact CE1-CE2 4.42Å; Y57-Y117 HydrophobicContact CG-CD2 4.4Å; Y57-Y117 PolarHBondContact N-O 3.26Å; Y57-Y117 PolarHBondContact O-N 2.98Å
58	R	96.3	Very high	93.1	Very high	74 Å²	74	36.9 Å²	36.9	28%	0.279	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.8	169.9	173.6	-175.3	175.1	-157.5	-0.3	107.9	D40 E43 V114 F116	D40-R58 IonicContact OD1-CZ 3.67Å; D40-R58 IonicContact OD1-NH1 2.86Å; D40-R58 PolarHBondContact OD1-NH1 2.97Å; D40-R58 IonicContact OD1-NH2 3.3Å; D40-R58 PolarHBondContact OD1-NH2 2.79Å; E43-R58 WeakPolarHBondContact OE2-CD 3.18Å; E43-R58 IonicContact OE2-CZ 2.9Å; E43-R58 IonicContact OE2-NE 3.69Å; E43-R58 IonicContact OE2-NH1 2.71Å; E43-R58 PolarHBondContact OE2-NH1 3.21Å; R58-V114 HydrophobicContact CG-CG1 3.88Å; R58-F116 HydrophobicContact CB-CD1 4.23Å; R58-F116 HydrophobicContact CB-CE1 4.16Å; R58-F116 HydrophobicContact CG-CD1 4.19Å; R58-F116 HydrophobicContact CG-CE1 3.7Å; R58-F116 HydrophobicContact CG-CZ 4.21Å
59	S	96.5	Very high	92.9	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.014	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-75.6	163	176.8	81.8	0	0	0	0	111.8	V114 T115	S59-V114 WeakPolarHBondContact O-CG1 3.49Å; S59-T115 PolarHBondContact N-O 3.2Å; S59-T115 PolarHBondContact OG-N 2.91Å
60	Q	95.1	Very high	92.7	Very high	136 Å²	136	36.7 Å²	36.7	64%	0.636	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-68.6	162.5	159.6	-62.4	-60.1	-40.5	0	0	110.6	G62 E63	Q60-G62 PolarHBondContact O-N 3.14Å; Q60-E63 HydrophobicContact CB-CB 4.03Å; Q60-E63 PolarHBondContact N-OE2 3.01Å; Q60-E63 VanDerWaalsContact O-CB 3.31Å; Q60-E63 WeakPolarHBondContact O-CB 3.43Å; Q60-E63 PolarHBondContact O-N 3.37Å; Q60-E63 VanDerWaalsContact O-N 3.12Å
61	S	95.1	Very high	92.6	Very high	31 Å²	31	40.8 Å²	40.8	22%	0.217	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	125.9	173.1	-173.5	0	0	0	0	110.6	E63 A111 D112 M113	S61-E63 PolarHBondContact O-N 2.82Å; S61-A111 PolarHBondContact OG-O 3.36Å; S61-A111 VanDerWaalsContact OG-O 3.13Å; S61-D112 WeakPolarHBondContact OG-CA 3.43Å; S61-M113 CarbonylContact C-O 3.54Å; S61-M113 WeakPolarHBondContact CA-O 3.23Å
62	G	91.1	Very high	92.5	Very high	31 Å²	31	48 Å²	48	32%	0.32	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-3	-178.6	0	0	0	0	0	115	Q60 T64 L110 A111 M113	Q60-G62 PolarHBondContact O-N 3.14Å; G62-T64 PolarHBondContact O-N 3.34Å; G62-L110 VanDerWaalsContact CA-O 3.31Å; G62-L110 WeakPolarHBondContact CA-O 3.19Å; G62-A111 WeakPolarHBondContact CA-O 3.32Å; G62-A111 PolarHBondContact N-O 3.45Å; G62-M113 PolarHBondContact N-O 3.2Å
63	E	93.1	Very high	92.3	Very high	48 Å²	48	48.3 Å²	48.3	22%	0.224	25%	0.249	C	C	.	.			trans	-71.3	130.4	175	-176.5	-178.4	-171.4	0	0	110.2	Y57 Q60 S61 S65	Y57-E63 PolarHBondContact OH-OE1 3.42Å; Y57-E63 PolarHBondContact OH-OE2 2.79Å; Q60-E63 HydrophobicContact CB-CB 4.03Å; Q60-E63 PolarHBondContact N-OE2 3.01Å; Q60-E63 VanDerWaalsContact O-CB 3.31Å; Q60-E63 WeakPolarHBondContact O-CB 3.43Å; Q60-E63 PolarHBondContact O-N 3.37Å; Q60-E63 VanDerWaalsContact O-N 3.12Å; S61-E63 PolarHBondContact O-N 2.82Å; E63-S65 VanDerWaalsContact CG-OG 3.26Å; E63-S65 WeakPolarHBondContact CG-OG 3.27Å; E63-S65 PolarHBondContact OE1-OG 3.17Å
64	T	92	Very high	92.2	Very high	37 Å²	37	49.9 Å²	49.9	23%	0.227	26%	0.258	C	S	.	.			trans	-107.3	-14.8	179.8	51.9	0	0	0	0	112.5	G62 D74 I75 R76	G62-T64 PolarHBondContact O-N 3.34Å; T64-D74 WeakPolarHBondContact O-CA 3.38Å; T64-I75 PolarHBondContact O-N 3.25Å; T64-R76 HydrophobicContact CG2-CG 3.91Å
65	S	92	Very high	92.2	Very high	36 Å²	36	49.6 Å²	49.6	25%	0.252	26%	0.255	S	S	.	.			trans	-81	164.3	172.8	47.9	0	0	0	0	112.5	E63 A73	E63-S65 VanDerWaalsContact CG-OG 3.26Å; E63-S65 WeakPolarHBondContact CG-OG 3.27Å; E63-S65 PolarHBondContact OE1-OG 3.17Å; S65-A73 WeakPolarHBondContact CA-O 3.49Å
66	C	91.3	Very high	92.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-148.8	56.8	168.8	61.9	0	0	0	0	110.1	Y57 P68 L69 A70 A73 Y117 F253	Y57-C66 HydrophobicContact CD1-CB 3.79Å; Y57-C66 HydrophobicContact CE1-CB 3.81Å; C66-P68 VanDerWaalsContact C-N 3.26Å; C66-L69 PolarHBondContact O-N 3.33Å; C66-A70 CarbonylContact C-O 3.34Å; C66-A70 PolarHBondContact O-N 3.26Å; C66-A73 WeakPolarHBondContact SG-CB 3.36Å; C66-Y117 HydrophobicContact CB-CD2 4.42Å; C66-Y117 HydrophobicContact CB-CE1 4.24Å; C66-Y117 HydrophobicContact CB-CE2 3.66Å; C66-F253 WeakPolarHBondContact SG-CZ 3.36Å
67	E	89.1	Confident	92	Very high	96 Å²	96	50.3 Å²	50.3	45%	0.449	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-37.1	-174.4	-72.2	-66.2	144.9	0	0	114.8	L69 A70 H72	E67-L69 PolarHBondContact O-N 3.41Å; E67-A70 WeakPolarHBondContact CA-O 3.22Å; E67-H72 PolarHBondContact OE1-N 2.94Å; E67-H72 VanDerWaalsContact OE1-N 3.11Å
68	P	91.5	Very high	91.7	Very high	86 Å²	86	48.8 Å²	48.8	56%	0.558	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.7	175.5	-26.4	37.6	0	0	0	114.8	Y57 C66	Y57-P68 HydrophobicContact CD2-CB 4.28Å; Y57-P68 HydrophobicContact CD2-CG 3.98Å; Y57-P68 HydrophobicContact CE2-CB 4.48Å; Y57-P68 HydrophobicContact CE2-CG 3.69Å; C66-P68 VanDerWaalsContact C-N 3.26Å
69	L	90.3	Very high	91.2	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.047	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-33.6	179.3	-58.8	-173	0	0	0	112.6	L56 Y57 C66 E67 Y117 T255 D256 I257	L56-L69 HydrophobicContact CB-CD1 4.15Å; L56-L69 HydrophobicContact CB-CD2 4.06Å; Y57-L69 HydrophobicContact CG-CD1 4.47Å; Y57-L69 HydrophobicContact CG-CG 4.44Å; C66-L69 PolarHBondContact O-N 3.33Å; E67-L69 PolarHBondContact O-N 3.41Å; L69-Y117 VanDerWaalsContact CD1-CB 3.41Å; L69-Y117 HydrophobicContact CD1-CD1 3.87Å; L69-Y117 HydrophobicContact CD1-CD2 4.2Å; L69-Y117 HydrophobicContact CD1-CG 3.58Å; L69-T255 HydrophobicContact CB-CG2 4.17Å; L69-T255 WeakPolarHBondContact O-CB 3.5Å; L69-D256 PolarHBondContact O-N 2.96Å; L69-I257 HydrophobicContact CD2-CD1 3.57Å
70	A	91.3	Very high	90.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-159.8	125.8	-172.1	0	0	0	0	0	111.7	R6 C66 E67 A73 F253 D256	R6-A70 VanDerWaalsContact CZ-CB 3.41Å; C66-A70 CarbonylContact C-O 3.34Å; C66-A70 PolarHBondContact O-N 3.26Å; E67-A70 WeakPolarHBondContact CA-O 3.22Å; A70-A73 HydrophobicContact CB-CB 3.82Å; A70-F253 HydrophobicContact CB-CE1 3.89Å; A70-F253 HydrophobicContact CB-CZ 3.7Å; A70-D256 VanDerWaalsContact CA-OD2 3.26Å; A70-D256 WeakPolarHBondContact CA-OD2 3.46Å
71	K	89.4	Confident	90.3	Very high	136 Å²	136	44.4 Å²	44.4	59%	0.591	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	139.2	176.2	-65.5	-175.4	178.4	-179	0	110.6	A73 D256	K71-A73 PolarHBondContact O-N 2.93Å; K71-D256 PolarHBondContact N-OD2 2.81Å
72	H	87.9	Confident	90.2	Very high	154 Å²	154	42.9 Å²	42.9	71%	0.713	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	28.3	178.5	-47.6	-57.8	0	0	0	113.8	E67	E67-H72 PolarHBondContact OE1-N 2.94Å; E67-H72 VanDerWaalsContact OE1-N 3.11Å
73	A	90.6	Very high	90.4	Very high	8 Å²	8	41.8 Å²	41.8	7%	0.066	21%	0.214	C	C	.	.			trans	-74.3	143.1	176	0	0	0	0	0	111.2	S65 C66 A70 K71 D78 F253	S65-A73 WeakPolarHBondContact CA-O 3.49Å; C66-A73 WeakPolarHBondContact SG-CB 3.36Å; A70-A73 HydrophobicContact CB-CB 3.82Å; K71-A73 PolarHBondContact O-N 2.93Å; A73-D78 WeakPolarHBondContact CA-OD2 3.46Å; A73-F253 HydrophobicContact CB-CE2 4.23Å; A73-F253 HydrophobicContact CB-CZ 3.81Å
74	D	91.8	Very high	90.4	Very high	33 Å²	33	39.5 Å²	39.5	18%	0.176	20%	0.203	C	C	.	.			trans	-130.1	104.6	166.4	-172.1	-24.9	0	0	0	109.2	T64 R76 T77 D78	T64-D74 WeakPolarHBondContact O-CA 3.38Å; D74-R76 PolarHBondContact O-N 3.02Å; D74-R76 VanDerWaalsContact OD1-CB 3.24Å; D74-R76 WeakPolarHBondContact OD1-CB 3.47Å; D74-R76 WeakPolarHBondContact OD1-CG 3.37Å; D74-R76 IonicContact OD1-CZ 3.87Å; D74-R76 PolarHBondContact OD1-N 2.98Å; D74-R76 IonicContact OD1-NE 3.03Å; D74-R76 PolarHBondContact OD1-NE 2.98Å; D74-R76 IonicContact OD1-NH2 3.24Å; D74-R76 IonicContact OD2-CZ 2.79Å; D74-R76 IonicContact OD2-NE 3.72Å; D74-R76 PolarHBondContact OD2-NE 3.46Å; D74-R76 IonicContact OD2-NH2 3Å; D74-R76 PolarHBondContact OD2-NH2 3.23Å; D74-T77 PolarHBondContact O-N 3.23Å; D74-D78 PolarHBondContact N-OD2 3.12Å; D74-D78 VanDerWaalsContact O-CB 3.24Å; D74-D78 WeakPolarHBondContact O-CB 3.41Å; D74-D78 PolarHBondContact O-N 2.89Å
75	I	92.1	Very high	90.6	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.8	-176.4	-166.3	52.6	0	0	0	113.1	V31 T64 T77 I79 F82 T115 Y117 F253	V31-I75 HydrophobicContact CG1-CD1 3.92Å; V31-I75 HydrophobicContact CG1-CG1 4.14Å; V31-I75 HydrophobicContact CG2-CD1 4.06Å; T64-I75 PolarHBondContact O-N 3.25Å; I75-T77 PolarHBondContact O-N 3.06Å; I75-I79 HydrophobicContact CD1-CD1 3.65Å; I75-I79 HydrophobicContact CD1-CG1 4.15Å; I75-F82 WeakPolarHBondContact O-CZ 3.27Å; I75-T115 HydrophobicContact CG1-CG2 3.89Å; I75-Y117 WeakPolarHBondContact CB-OH 3.36Å; I75-Y117 HydrophobicContact CD1-CE1 3.93Å; I75-F253 HydrophobicContact CD1-CD2 4.02Å; I75-F253 HydrophobicContact CD1-CE2 4.49Å
76	R	91.5	Very high	90.7	Very high	65 Å²	65	39 Å²	39	25%	0.245	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.9	-178.5	-58.3	172.9	-66.7	-172.6	-3.2	112.4	T64 D74 S96 L97 Q98 L110	T64-R76 HydrophobicContact CG2-CG 3.91Å; D74-R76 PolarHBondContact O-N 3.02Å; D74-R76 VanDerWaalsContact OD1-CB 3.24Å; D74-R76 WeakPolarHBondContact OD1-CB 3.47Å; D74-R76 WeakPolarHBondContact OD1-CG 3.37Å; D74-R76 IonicContact OD1-CZ 3.87Å; D74-R76 PolarHBondContact OD1-N 2.98Å; D74-R76 IonicContact OD1-NE 3.03Å; D74-R76 PolarHBondContact OD1-NE 2.98Å; D74-R76 IonicContact OD1-NH2 3.24Å; D74-R76 IonicContact OD2-CZ 2.79Å; D74-R76 IonicContact OD2-NE 3.72Å; D74-R76 PolarHBondContact OD2-NE 3.46Å; D74-R76 IonicContact OD2-NH2 3Å; D74-R76 PolarHBondContact OD2-NH2 3.23Å; R76-S96 CarbonylContact O-C 3.54Å; R76-S96 WeakPolarHBondContact O-CA 3.39Å; R76-S96 PolarHBondContact O-OG 2.82Å; R76-L97 HydrophobicContact CB-CB 4.07Å; R76-L97 HydrophobicContact CG-CB 4.26Å; R76-L97 PolarHBondContact O-N 3.48Å; R76-Q98 HydrophobicContact CB-CB 4.11Å; R76-L110 HydrophobicContact CG-CD1 3.72Å
77	T	88.6	Confident	90.9	Very high	27 Å²	27	44 Å²	44	17%	0.166	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-15.5	-173.4	59.7	0	0	0	0	114.6	D74 I75 I79 Q98	D74-T77 PolarHBondContact O-N 3.23Å; I75-T77 PolarHBondContact O-N 3.06Å; T77-I79 PolarHBondContact O-N 2.87Å; T77-Q98 HydrophobicContact CG2-CB 4.12Å
78	D	88.2	Confident	91.1	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.064	20%	0.203	C	C	.	.	S	Bend	trans	-87.5	13.7	-170.8	-70.8	-1	0	0	0	113.7	R6 A73 D74 F253	R6-D78 HydrophobicContact CB-CB 4.18Å; A73-D78 WeakPolarHBondContact CA-OD2 3.46Å; D74-D78 PolarHBondContact N-OD2 3.12Å; D74-D78 VanDerWaalsContact O-CB 3.24Å; D74-D78 WeakPolarHBondContact O-CB 3.41Å; D74-D78 PolarHBondContact O-N 2.89Å; D78-F253 HydrophobicContact CB-CD2 4.25Å; D78-F253 HydrophobicContact CB-CE2 3.84Å
79	I	87	Confident	91.2	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	21%	0.211	C	C	.	.	S	Bend	trans	-123.9	143	167.4	-63.7	177.4	0	0	0	108.1	V31 I75 T77 E81 F82 H247 C251 F253	V31-I79 HydrophobicContact CB-CD1 3.75Å; V31-I79 HydrophobicContact CG1-CD1 4.14Å; V31-I79 HydrophobicContact CG2-CD1 3.73Å; I75-I79 HydrophobicContact CD1-CD1 3.65Å; I75-I79 HydrophobicContact CD1-CG1 4.15Å; T77-I79 PolarHBondContact O-N 2.87Å; I79-E81 WeakPolarHBondContact CG2-O 3.36Å; I79-F82 HydrophobicContact CB-CE1 4.13Å; I79-F82 HydrophobicContact CB-CE2 3.91Å; I79-F82 HydrophobicContact CB-CZ 3.54Å; I79-F82 HydrophobicContact CD1-CE1 3.84Å; I79-F82 HydrophobicContact CD1-CZ 4.02Å; I79-F82 HydrophobicContact CG1-CE1 4.44Å; I79-F82 HydrophobicContact CG1-CZ 4.11Å; I79-F82 HydrophobicContact CG2-CE2 4.34Å; I79-F82 HydrophobicContact CG2-CZ 4.19Å; I79-H247 HydrophobicContact CD1-CB 4.12Å; I79-H247 HydrophobicContact CG2-CB 4.19Å; I79-C251 HydrophobicContact CG2-CB 4.13Å; I79-C251 WeakPolarHBondContact CG2-O 3.44Å; I79-F253 HydrophobicContact CD1-CB 4.06Å; I79-F253 HydrophobicContact CG1-CB 4.05Å; I79-F253 HydrophobicContact CG1-CD2 4.19Å
80	S	82.9	Confident	91.4	Very high	37 Å²	37	49 Å²	49	26%	0.259	23%	0.233	S	C	.	.	S	Bend	trans	-70.4	-32.9	-176.6	47.3	0	0	0	0	114.2	C251	S80-C251 VanDerWaalsContact OG-CB 3.24Å; S80-C251 WeakPolarHBondContact OG-CB 3.04Å; S80-C251 PolarHBondContact OG-SG 3.11Å
81	E	89.9	Confident	91.6	Very high	77 Å²	77	52.4 Å²	52.4	36%	0.36	25%	0.254	S	S	.	.			trans	-154	134.7	-179.3	-163	-179.5	77.6	0	0	111.8	I79 T93 V94 S248 C251	I79-E81 WeakPolarHBondContact CG2-O 3.36Å; E81-T93 HydrophobicContact CG-CG2 4.44Å; E81-V94 WeakPolarHBondContact CA-O 3Å; E81-S248 WeakPolarHBondContact CG-OG 3.24Å; E81-S248 PolarHBondContact O-N 3.44Å; E81-S248 VanDerWaalsContact OE1-CB 3.28Å; E81-S248 WeakPolarHBondContact OE1-CB 3.29Å; E81-S248 PolarHBondContact OE1-OG 2.85Å; E81-C251 HydrophobicContact CB-CB 4.43Å
82	F	92.6	Very high	91.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142	174.5	-63.1	-93	0	0	0	110.5	I75 I79 T93 V94 L97 S246	I75-F82 WeakPolarHBondContact O-CZ 3.27Å; I79-F82 HydrophobicContact CB-CE1 4.13Å; I79-F82 HydrophobicContact CB-CE2 3.91Å; I79-F82 HydrophobicContact CB-CZ 3.54Å; I79-F82 HydrophobicContact CD1-CE1 3.84Å; I79-F82 HydrophobicContact CD1-CZ 4.02Å; I79-F82 HydrophobicContact CG1-CE1 4.44Å; I79-F82 HydrophobicContact CG1-CZ 4.11Å; I79-F82 HydrophobicContact CG2-CE2 4.34Å; I79-F82 HydrophobicContact CG2-CZ 4.19Å; F82-T93 CarbonylContact O-C 3.58Å; F82-T93 WeakPolarHBondContact O-CA 3.43Å; F82-T93 WeakPolarHBondContact O-CB 3.5Å; F82-V94 HydrophobicContact CB-CG2 3.88Å; F82-V94 PolarHBondContact N-O 3.49Å; F82-V94 PolarHBondContact O-N 2.69Å; F82-L97 HydrophobicContact CB-CD2 3.99Å; F82-L97 HydrophobicContact CD1-CD1 3.65Å; F82-L97 HydrophobicContact CD1-CD2 4.13Å; F82-L97 HydrophobicContact CD1-CG 3.85Å; F82-L97 HydrophobicContact CD2-CD2 4.15Å; F82-L97 HydrophobicContact CD2-CG 3.88Å; F82-L97 HydrophobicContact CE1-CD1 3.63Å; F82-L97 HydrophobicContact CE1-CG 3.98Å; F82-L97 HydrophobicContact CE2-CG 4.04Å; F82-L97 HydrophobicContact CG-CD1 4.15Å; F82-L97 HydrophobicContact CG-CD2 3.81Å; F82-L97 HydrophobicContact CG-CG 3.8Å; F82-L97 HydrophobicContact CZ-CD1 4.12Å; F82-L97 HydrophobicContact CZ-CG 4.1Å; F82-S246 CarbonylContact C-O 3.55Å; F82-S246 VanDerWaalsContact CA-O 3.22Å; F82-S246 WeakPolarHBondContact CA-O 3.35Å
83	C	94.3	Very high	92.1	Very high	7 Å²	7	46.3 Å²	46.3	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.4	162.4	-72.1	0	0	0	0	109.8	Y85 L90 F245 S246 S248	C83-Y85 HydrophobicContact CB-CD2 4.38Å; C83-Y85 HydrophobicContact CB-CE2 3.46Å; C83-Y85 VanDerWaalsContact CB-CE2 3.46Å; C83-Y85 WeakPolarHBondContact CB-OH 3.33Å; C83-L90 HydrophobicContact CB-CD1 3.58Å; C83-F245 VanDerWaalsContact O-CA 3.26Å; C83-F245 WeakPolarHBondContact O-CA 2.98Å; C83-S246 WeakPolarHBondContact CB-OG 3.3Å; C83-S246 PolarHBondContact N-O 2.96Å; C83-S246 PolarHBondContact O-N 2.95Å; C83-S248 PolarHBondContact SG-OG 3.18Å
84	V	94.9	Very high	92.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127	175.6	-177.2	0	0	0	0	108.9	V91 K92 V94 Y100 L243 F245	V84-V91 HydrophobicContact CB-CG2 3.96Å; V84-V91 HydrophobicContact CG1-CG2 3.68Å; V84-V91 VanDerWaalsContact O-CG2 3.23Å; V84-V91 WeakPolarHBondContact O-CG2 3.18Å; V84-V91 PolarHBondContact O-N 3.3Å; V84-K92 HydrophobicContact CB-CG 3.92Å; V84-K92 WeakPolarHBondContact CB-O 3.35Å; V84-K92 HydrophobicContact CG1-CG 4.47Å; V84-K92 HydrophobicContact CG2-CG 3.95Å; V84-K92 PolarHBondContact N-O 2.87Å; V84-V94 HydrophobicContact CG2-CG1 4.08Å; V84-V94 HydrophobicContact CG2-CG2 3.93Å; V84-Y100 HydrophobicContact CG1-CE2 3.92Å; V84-Y100 VanDerWaalsContact CG1-OH 3.23Å; V84-Y100 WeakPolarHBondContact CG1-OH 3.31Å; V84-Y100 HydrophobicContact CG2-CD2 4.43Å; V84-Y100 HydrophobicContact CG2-CE2 3.79Å; V84-L243 HydrophobicContact CG1-CD1 4.02Å; V84-F245 HydrophobicContact CB-CD1 4.39Å; V84-F245 HydrophobicContact CB-CE1 4.49Å; V84-F245 HydrophobicContact CG1-CD1 4.33Å; V84-F245 HydrophobicContact CG1-CE1 4.02Å; V84-F245 HydrophobicContact CG2-CD1 3.99Å; V84-F245 HydrophobicContact CG2-CE1 4.05Å
85	Y	95.4	Very high	92	Very high	8 Å²	8	50.5 Å²	50.5	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.7	178.3	-54.7	-95.2	0	0	0	110.9	C83 R89 L90 I233 I236 L237 L243 A244 S246	C83-Y85 HydrophobicContact CB-CD2 4.38Å; C83-Y85 HydrophobicContact CB-CE2 3.46Å; C83-Y85 VanDerWaalsContact CB-CE2 3.46Å; C83-Y85 WeakPolarHBondContact CB-OH 3.33Å; Y85-R89 CarbonylContact C-O 3.54Å; Y85-R89 WeakPolarHBondContact CA-O 3.5Å; Y85-L90 HydrophobicContact CD1-CB 4.07Å; Y85-L90 HydrophobicContact CD1-CD1 4.45Å; Y85-L90 HydrophobicContact CE1-CB 3.91Å; Y85-L90 HydrophobicContact CE1-CD1 4.06Å; Y85-I233 HydrophobicContact CE1-CG2 4.26Å; Y85-I233 WeakPolarHBondContact OH-CG2 3.45Å; Y85-I236 HydrophobicContact CD1-CG2 4.14Å; Y85-I236 HydrophobicContact CD2-CD1 4.35Å; Y85-I236 HydrophobicContact CD2-CG2 4.07Å; Y85-I236 HydrophobicContact CE2-CD1 4.29Å; Y85-I236 HydrophobicContact CG-CG2 3.75Å; Y85-L237 HydrophobicContact CD1-CD2 3.9Å; Y85-L237 HydrophobicContact CE1-CD2 3.94Å; Y85-L243 CarbonylContact O-C 3.56Å; Y85-L243 VanDerWaalsContact O-CA 3.29Å; Y85-L243 WeakPolarHBondContact O-CA 3.35Å; Y85-A244 PolarHBondContact N-O 3.1Å; Y85-A244 PolarHBondContact O-N 2.86Å; Y85-S246 WeakPolarHBondContact CE2-OG 3.27Å; Y85-S246 PolarHBondContact OH-OG 2.88Å; Y85-S246 VanDerWaalsContact OH-OG 3.08Å
86	E	94.4	Very high	91.9	Very high	55 Å²	55	51.4 Å²	51.4	26%	0.257	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126	173.1	-68.3	173.1	-166.9	0	0	108.4	G88 R89 V91 L243	E86-G88 PolarHBondContact O-N 2.75Å; E86-G88 VanDerWaalsContact O-N 3.14Å; E86-R89 PolarHBondContact N-O 2.67Å; E86-R89 WeakPolarHBondContact O-CB 3.34Å; E86-R89 PolarHBondContact O-N 2.86Å; E86-V91 HydrophobicContact CB-CG1 3.95Å; E86-V91 HydrophobicContact CB-CG2 4.34Å; E86-V91 HydrophobicContact CG-CG1 4.31Å; E86-V91 HydrophobicContact CG-CG2 3.89Å; E86-L243 HydrophobicContact CG-CD1 4.21Å
87	D	94.5	Very high	91.8	Very high	105 Å²	105	48.3 Å²	48.3	56%	0.561	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	39.2	-175	-58.1	-47.3	0	0	0	113.2	R89 P241	D87-R89 VanDerWaalsContact C-N 3.34Å; D87-R89 PolarHBondContact O-N 2.91Å; D87-P241 VanDerWaalsContact CA-O 3.32Å; D87-P241 WeakPolarHBondContact CA-O 3.24Å; D87-P241 PolarHBondContact N-O 2.84Å
88	G	93.1	Very high	91.6	Very high	8 Å²	8	53 Å²	53	8%	0.082	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	20.6	-178.8	0	0	0	0	0	114.7	E86 L237	E86-G88 PolarHBondContact O-N 2.75Å; E86-G88 VanDerWaalsContact O-N 3.14Å; G88-L237 WeakPolarHBondContact O-CD2 3.31Å
89	R	95.4	Very high	90.9	Very high	191 Å²	191	57 Å²	57	72%	0.721	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.3	175.4	-64.4	178.3	175.9	156.9	-1.2	110.8	Y85 E86 D87 V91	Y85-R89 CarbonylContact C-O 3.54Å; Y85-R89 WeakPolarHBondContact CA-O 3.5Å; E86-R89 PolarHBondContact N-O 2.67Å; E86-R89 WeakPolarHBondContact O-CB 3.34Å; E86-R89 PolarHBondContact O-N 2.86Å; D87-R89 VanDerWaalsContact C-N 3.34Å; D87-R89 PolarHBondContact O-N 2.91Å; R89-V91 PolarHBondContact O-N 2.86Å
90	L	94.5	Very high	90.5	Very high	98 Å²	98	58.1 Å²	58.1	51%	0.513	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	115.4	171	179	63.5	0	0	0	109.3	C83 Y85	C83-L90 HydrophobicContact CB-CD1 3.58Å; Y85-L90 HydrophobicContact CD1-CB 4.07Å; Y85-L90 HydrophobicContact CD1-CD1 4.45Å; Y85-L90 HydrophobicContact CE1-CB 3.91Å; Y85-L90 HydrophobicContact CE1-CD1 4.06Å
91	V	95.2	Very high	89.9	Confident	70 Å²	70	60.7 Å²	60.7	42%	0.424	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-34.6	-177	-73.5	0	0	0	0	113.2	V84 E86 R89	V84-V91 HydrophobicContact CB-CG2 3.96Å; V84-V91 HydrophobicContact CG1-CG2 3.68Å; V84-V91 VanDerWaalsContact O-CG2 3.23Å; V84-V91 WeakPolarHBondContact O-CG2 3.18Å; V84-V91 PolarHBondContact O-N 3.3Å; E86-V91 HydrophobicContact CB-CG1 3.95Å; E86-V91 HydrophobicContact CB-CG2 4.34Å; E86-V91 HydrophobicContact CG-CG1 4.31Å; E86-V91 HydrophobicContact CG-CG2 3.89Å; R89-V91 PolarHBondContact O-N 2.86Å
92	K	93.3	Very high	88.5	Confident	94 Å²	94	58.3 Å²	58.3	41%	0.409	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	166.7	-179.8	58.5	-164	151.9	-174.1	0	111	V84 V94	V84-K92 HydrophobicContact CB-CG 3.92Å; V84-K92 WeakPolarHBondContact CB-O 3.35Å; V84-K92 HydrophobicContact CG1-CG 4.47Å; V84-K92 HydrophobicContact CG2-CG 3.95Å; V84-K92 PolarHBondContact N-O 2.87Å; K92-V94 HydrophobicContact CG-CG1 4.42Å
93	T	93.2	Very high	86.9	Confident	69 Å²	69	64.7 Å²	64.7	42%	0.423	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149	164.5	59.4	0	0	0	0	110.7	E81 F82	E81-T93 HydrophobicContact CG-CG2 4.44Å; F82-T93 CarbonylContact O-C 3.58Å; F82-T93 WeakPolarHBondContact O-CA 3.43Å; F82-T93 WeakPolarHBondContact O-CB 3.5Å
94	V	91.9	Very high	85.1	Confident	33 Å²	33	68.6 Å²	68.6	20%	0.2	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.3	178.3	-61.6	0	0	0	0	110.3	E81 F82 V84 K92 S96 L97 Y100	E81-V94 WeakPolarHBondContact CA-O 3Å; F82-V94 HydrophobicContact CB-CG2 3.88Å; F82-V94 PolarHBondContact N-O 3.49Å; F82-V94 PolarHBondContact O-N 2.69Å; V84-V94 HydrophobicContact CG2-CG1 4.08Å; V84-V94 HydrophobicContact CG2-CG2 3.93Å; K92-V94 HydrophobicContact CG-CG1 4.42Å; V94-S96 VanDerWaalsContact C-N 3.32Å; V94-L97 HydrophobicContact CG2-CD2 3.87Å; V94-Y100 HydrophobicContact CG1-CD2 4.41Å
95	S	89.5	Confident	83.5	Confident	96 Å²	96	73 Å²	73	67%	0.671	41%	0.408	S	S	*	.	S	Bend	trans	-85	-4.7	178.9	62.2	0	0	0	0	113.9
96	S	89.3	Confident	81.3	Confident	22 Å²	22	80.1 Å²	80.1	15%	0.154	45%	0.452	C	S	.	.			trans	-161.5	142.5	179.7	174.6	0	0	0	0	110.4	R76 V94 Q98	R76-S96 CarbonylContact O-C 3.54Å; R76-S96 WeakPolarHBondContact O-CA 3.39Å; R76-S96 PolarHBondContact O-OG 2.82Å; V94-S96 VanDerWaalsContact C-N 3.32Å; S96-Q98 WeakPolarHBondContact OG-CB 3.5Å; S96-Q98 PolarHBondContact OG-N 2.79Å
97	L	88.9	Confident	79.7	Confident	1 Å²	1	80.6 Å²	80.6	1%	0.005	47%	0.472	C	S	.	.	S	Bend	trans	-91.6	-8.9	170	-55.1	179.9	0	0	0	112.5	R76 F82 V94 S99 Y100 L110 F245	R76-L97 HydrophobicContact CB-CB 4.07Å; R76-L97 HydrophobicContact CG-CB 4.26Å; R76-L97 PolarHBondContact O-N 3.48Å; F82-L97 HydrophobicContact CB-CD2 3.99Å; F82-L97 HydrophobicContact CD1-CD1 3.65Å; F82-L97 HydrophobicContact CD1-CD2 4.13Å; F82-L97 HydrophobicContact CD1-CG 3.85Å; F82-L97 HydrophobicContact CD2-CD2 4.15Å; F82-L97 HydrophobicContact CD2-CG 3.88Å; F82-L97 HydrophobicContact CE1-CD1 3.63Å; F82-L97 HydrophobicContact CE1-CG 3.98Å; F82-L97 HydrophobicContact CE2-CG 4.04Å; F82-L97 HydrophobicContact CG-CD1 4.15Å; F82-L97 HydrophobicContact CG-CD2 3.81Å; F82-L97 HydrophobicContact CG-CG 3.8Å; F82-L97 HydrophobicContact CZ-CD1 4.12Å; F82-L97 HydrophobicContact CZ-CG 4.1Å; V94-L97 HydrophobicContact CG2-CD2 3.87Å; L97-S99 VanDerWaalsContact C-N 3.29Å; L97-S99 PolarHBondContact O-N 3.16Å; L97-Y100 WeakPolarHBondContact O-CB 3.49Å; L97-Y100 PolarHBondContact O-N 2.68Å; L97-Y100 VanDerWaalsContact O-N 3.14Å; L97-L110 HydrophobicContact CB-CD1 4.04Å; L97-L110 HydrophobicContact CD1-CD2 4.35Å; L97-F245 HydrophobicContact CD1-CB 4.35Å; L97-F245 HydrophobicContact CD1-CD1 4.49Å; L97-F245 HydrophobicContact CD1-CG 4.23Å; L97-F245 HydrophobicContact CD2-CD1 3.48Å; L97-F245 VanDerWaalsContact CD2-CD1 3.48Å; L97-F245 HydrophobicContact CD2-CE1 3.74Å; L97-F245 HydrophobicContact CD2-CG 4.04Å; L97-F245 HydrophobicContact CD2-CZ 4.49Å
98	Q	84.8	Confident	78.3	Confident	124 Å²	124	80.1 Å²	80.1	58%	0.579	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-35.3	-175.5	-169.1	175.3	31.6	0	0	112	R76 T77 S96	R76-Q98 HydrophobicContact CB-CB 4.11Å; T77-Q98 HydrophobicContact CG2-CB 4.12Å; S96-Q98 WeakPolarHBondContact OG-CB 3.5Å; S96-Q98 PolarHBondContact OG-N 2.79Å
99	S	73.8	Confident	77.4	Confident	98 Å²	98	80.9 Å²	80.9	69%	0.685	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	11.2	176.7	59.2	0	0	0	0	113	L97 S101	L97-S99 VanDerWaalsContact C-N 3.29Å; L97-S99 PolarHBondContact O-N 3.16Å; S99-S101 PolarHBondContact O-N 3.32Å
100	Y	78.5	Confident	76.8	Confident	27 Å²	27	73.2 Å²	73.2	11%	0.106	45%	0.451	C	S	.	.			trans	-73.6	114.6	-177.7	-168.1	-90.7	0	0	0	110.6	V84 V94 L97 Q109 L243 F245	V84-Y100 HydrophobicContact CG1-CE2 3.92Å; V84-Y100 VanDerWaalsContact CG1-OH 3.23Å; V84-Y100 WeakPolarHBondContact CG1-OH 3.31Å; V84-Y100 HydrophobicContact CG2-CD2 4.43Å; V84-Y100 HydrophobicContact CG2-CE2 3.79Å; V94-Y100 HydrophobicContact CG1-CD2 4.41Å; L97-Y100 WeakPolarHBondContact O-CB 3.49Å; L97-Y100 PolarHBondContact O-N 2.68Å; L97-Y100 VanDerWaalsContact O-N 3.14Å; Y100-Q109 VanDerWaalsContact CE1-OE1 3.24Å; Y100-L243 HydrophobicContact CE1-CD1 4.24Å; Y100-L243 HydrophobicContact CE1-CD2 4.22Å; Y100-F245 AromaticContact CD1-CE1 3.93Å; Y100-F245 HydrophobicContact CD1-CE1 3.93Å; Y100-F245 AromaticContact CD1-CZ 3.73Å; Y100-F245 HydrophobicContact CD1-CZ 3.73Å; Y100-F245 HydrophobicContact CD2-CE1 4.13Å; Y100-F245 AromaticContact CE1-CE1 3.85Å; Y100-F245 HydrophobicContact CE1-CE1 3.85Å; Y100-F245 AromaticContact CE1-CZ 3.71Å; Y100-F245 HydrophobicContact CE1-CZ 3.71Å; Y100-F245 HydrophobicContact CE2-CE1 4.06Å; Y100-F245 HydrophobicContact CG-CE1 4.09Å; Y100-F245 HydrophobicContact CG-CZ 4.27Å; Y100-F245 AromaticContact CZ-CE1 3.94Å
101	S	69.6	Low	76.4	Confident	92 Å²	92	71.2 Å²	71.2	64%	0.643	45%	0.449	S	S	*	.			trans	-133.3	130.3	171.8	54.4	0	0	0	0	109.8	S99	S99-S101 PolarHBondContact O-N 3.32Å
102	D	61.9	Low	76.1	Confident	27 Å²	27	72 Å²	72	14%	0.144	45%	0.451	C	S	.	.			trans	-90.9	119.3	168.3	-175.9	-10.5	0	0	0	107.1	A104 R105	D102-A104 PolarHBondContact O-N 3.19Å; D102-A104 VanDerWaalsContact O-N 3.08Å; D102-A104 WeakPolarHBondContact OD1-CB 3.26Å; D102-A104 PolarHBondContact OD1-N 3.32Å; D102-R105 HydrophobicContact CB-CB 4.31Å; D102-R105 HydrophobicContact CB-CG 4.23Å; D102-R105 PolarHBondContact O-N 2.81Å; D102-R105 VanDerWaalsContact O-N 3.12Å; D102-R105 IonicContact OD2-CZ 2.79Å; D102-R105 IonicContact OD2-NE 3.39Å; D102-R105 PolarHBondContact OD2-NE 3.4Å
103	P	57.5	Low	76.2	Confident	134 Å²	134	68.1 Å²	68.1	87%	0.87	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.9	176.1	-18.9	27.8	0	0	0	113.6
104	A	57.1	Low	76.4	Confident	89 Å²	89	65 Å²	65	74%	0.736	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.2	-178.8	0	0	0	0	0	114.5	D102	D102-A104 PolarHBondContact O-N 3.19Å; D102-A104 VanDerWaalsContact O-N 3.08Å; D102-A104 WeakPolarHBondContact OD1-CB 3.26Å; D102-A104 PolarHBondContact OD1-N 3.32Å
105	R	62.2	Low	76.6	Confident	93 Å²	93	63.6 Å²	63.6	35%	0.351	41%	0.407	S	S	.	.	S	Bend	trans	-125.8	127	-176	-58.3	179.7	-161.3	-153.5	-1.9	111.7	D102 P242	D102-R105 HydrophobicContact CB-CB 4.31Å; D102-R105 HydrophobicContact CB-CG 4.23Å; D102-R105 PolarHBondContact O-N 2.81Å; D102-R105 VanDerWaalsContact O-N 3.12Å; D102-R105 IonicContact OD2-CZ 2.79Å; D102-R105 IonicContact OD2-NE 3.39Å; D102-R105 PolarHBondContact OD2-NE 3.4Å; R105-P242 PolarHBondContact NH2-O 3.06Å
106	T	49.3	Very low	77	Confident	156 Å²	156	59 Å²	59	96%	0.957	38%	0.375	S	S	*	.			trans	-84.6	122.1	176.7	46.7	0	0	0	0	111.7
107	G	59.6	Low	77.3	Confident	66 Å²	66	58 Å²	58	68%	0.68	37%	0.368	S	S	*	.	S	Bend	trans	119.1	175.5	173	0	0	0	0	0	114.9	Q109	G107-Q109 PolarHBondContact O-N 2.82Å
108	S	66.6	Low	77.4	Confident	94 Å²	94	58 Å²	58	66%	0.657	37%	0.367	S	S	*	.			trans	-73.1	106.6	174	177.3	0	0	0	0	109.9	L110 A111	S108-L110 PolarHBondContact O-N 3.11Å; S108-A111 VanDerWaalsContact O-CB 3.29Å; S108-A111 WeakPolarHBondContact O-CB 3.38Å; S108-A111 PolarHBondContact O-N 2.85Å; S108-A111 VanDerWaalsContact O-N 3.09Å
109	Q	73.7	Confident	77.4	Confident	25 Å²	25	52 Å²	52	12%	0.117	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.3	-172	-64.9	-176.8	12.7	0	0	114.2	Y100 G107 A111 M113 L243	Y100-Q109 VanDerWaalsContact CE1-OE1 3.24Å; G107-Q109 PolarHBondContact O-N 2.82Å; Q109-A111 VanDerWaalsContact C-N 3.33Å; Q109-M113 WeakPolarHBondContact O-CG 3.45Å; Q109-L243 HydrophobicContact CB-CD2 4.42Å; Q109-L243 VanDerWaalsContact OE1-CD2 3.3Å
110	L	82.9	Confident	77.3	Confident	29 Å²	29	47.9 Å²	47.9	15%	0.152	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.2	176.6	-70.4	168	0	0	0	112.6	V33 G62 R76 L97 S108 D112 M113 F245	V33-L110 HydrophobicContact CG1-CD2 4.43Å; G62-L110 VanDerWaalsContact CA-O 3.31Å; G62-L110 WeakPolarHBondContact CA-O 3.19Å; R76-L110 HydrophobicContact CG-CD1 3.72Å; L97-L110 HydrophobicContact CB-CD1 4.04Å; L97-L110 HydrophobicContact CD1-CD2 4.35Å; S108-L110 PolarHBondContact O-N 3.11Å; L110-D112 PolarHBondContact O-N 2.64Å; L110-M113 HydrophobicContact CD2-CB 4.42Å; L110-M113 HydrophobicContact CD2-CG 4.4Å; L110-M113 WeakPolarHBondContact O-CB 3.44Å; L110-M113 PolarHBondContact O-N 2.92Å; L110-M113 VanDerWaalsContact O-N 3.09Å; L110-F245 HydrophobicContact CD2-CE2 4.28Å
111	A	85.1	Confident	76.4	Confident	57 Å²	57	47 Å²	47	47%	0.471	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.3	-175.6	0	0	0	0	0	113.4	S61 G62 S108 Q109	S61-A111 PolarHBondContact OG-O 3.36Å; S61-A111 VanDerWaalsContact OG-O 3.13Å; G62-A111 WeakPolarHBondContact CA-O 3.32Å; G62-A111 PolarHBondContact N-O 3.45Å; S108-A111 VanDerWaalsContact O-CB 3.29Å; S108-A111 WeakPolarHBondContact O-CB 3.38Å; S108-A111 PolarHBondContact O-N 2.85Å; S108-A111 VanDerWaalsContact O-N 3.09Å; Q109-A111 VanDerWaalsContact C-N 3.33Å
112	D	89.6	Confident	75.9	Confident	87 Å²	87	45.2 Å²	45.2	47%	0.465	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	24.6	176.9	-163.2	41	0	0	0	112.7	R36 S61 L110	R36-D112 WeakPolarHBondContact CB-O 3.47Å; R36-D112 WeakPolarHBondContact CB-OD1 3.24Å; R36-D112 VanDerWaalsContact CD-OD1 3.31Å; R36-D112 WeakPolarHBondContact CD-OD1 3.38Å; R36-D112 PolarHBondContact N-O 3.3Å; S61-D112 WeakPolarHBondContact OG-CA 3.43Å; L110-D112 PolarHBondContact O-N 2.64Å
113	M	94.4	Very high	75.7	Confident	12 Å²	12	44.9 Å²	44.9	6%	0.059	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	145.6	179.1	-66.5	-77.6	-179.3	0	0	111	V33 L34 P35 S61 G62 Q109 L110 L243 F245	V33-M113 HydrophobicContact CG1-CB 3.66Å; V33-M113 HydrophobicContact CG1-CG 4.21Å; V33-M113 HydrophobicContact CG1-SD 4.32Å; L34-M113 CarbonylContact O-C 3.53Å; L34-M113 WeakPolarHBondContact O-CA 3.46Å; P35-M113 HydrophobicContact CG-CE 4.3Å; P35-M113 HydrophobicContact CG-SD 4.17Å; S61-M113 CarbonylContact C-O 3.54Å; S61-M113 WeakPolarHBondContact CA-O 3.23Å; G62-M113 PolarHBondContact N-O 3.2Å; Q109-M113 WeakPolarHBondContact O-CG 3.45Å; L110-M113 HydrophobicContact CD2-CB 4.42Å; L110-M113 HydrophobicContact CD2-CG 4.4Å; L110-M113 WeakPolarHBondContact O-CB 3.44Å; L110-M113 PolarHBondContact O-N 2.92Å; L110-M113 VanDerWaalsContact O-N 3.09Å; M113-L243 HydrophobicContact CE-CB 3.96Å; M113-L243 HydrophobicContact CE-CD2 3.66Å; M113-L243 HydrophobicContact CE-CG 3.78Å; M113-F245 HydrophobicContact CE-CE2 4.19Å
114	V	97.4	Very high	76.5	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.2	176	176.5	0	0	0	0	108.6	V33 L34 R36 A39 R58 S59 F116	V33-V114 CarbonylContact C-O 3.52Å; V33-V114 WeakPolarHBondContact CA-O 3.36Å; L34-V114 PolarHBondContact N-O 2.88Å; L34-V114 PolarHBondContact O-N 2.93Å; R36-V114 HydrophobicContact CB-CG2 4.38Å; A39-V114 HydrophobicContact CB-CB 3.83Å; A39-V114 HydrophobicContact CB-CG1 4.08Å; A39-V114 HydrophobicContact CB-CG2 3.73Å; R58-V114 HydrophobicContact CG-CG1 3.88Å; S59-V114 WeakPolarHBondContact O-CG1 3.49Å; V114-F116 HydrophobicContact CB-CE2 4.04Å; V114-F116 HydrophobicContact CB-CZ 4.48Å; V114-F116 HydrophobicContact CG1-CD2 4.21Å; V114-F116 HydrophobicContact CG1-CE1 4.43Å; V114-F116 HydrophobicContact CG1-CE2 3.56Å; V114-F116 HydrophobicContact CG1-CZ 3.69Å
115	T	97.3	Very high	77.5	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.7	178.2	-56.1	0	0	0	0	110.2	V31 V33 S59 I75 Y117	V31-T115 HydrophobicContact CG1-CG2 3.9Å; V33-T115 HydrophobicContact CG2-CG2 4.15Å; S59-T115 PolarHBondContact N-O 3.2Å; S59-T115 PolarHBondContact OG-N 2.91Å; I75-T115 HydrophobicContact CG1-CG2 3.89Å; T115-Y117 HydrophobicContact CG2-CD2 3.97Å; T115-Y117 HydrophobicContact CG2-CE1 4.48Å; T115-Y117 HydrophobicContact CG2-CE2 3.37Å
116	F	97.4	Very high	78.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.4	174.4	-63.6	-91.8	0	0	0	109.7	V31 V32 L34 A39 F42 E43 L55 R58 V114 L118	V31-F116 WeakPolarHBondContact CA-O 3.27Å; V32-F116 PolarHBondContact N-O 3.08Å; V32-F116 PolarHBondContact O-N 2.92Å; L34-F116 HydrophobicContact CB-CE2 4.41Å; L34-F116 HydrophobicContact CD1-CD2 4.35Å; L34-F116 HydrophobicContact CD1-CE2 4.16Å; A39-F116 HydrophobicContact CB-CE2 4.17Å; A39-F116 HydrophobicContact CB-CZ 3.87Å; A39-F116 WeakPolarHBondContact O-CZ 3.3Å; F42-F116 HydrophobicContact CB-CE2 4.47Å; F42-F116 HydrophobicContact CB-CZ 4.22Å; F42-F116 HydrophobicContact CD1-CB 4.36Å; F42-F116 AromaticContact CD1-CD1 3.7Å; F42-F116 HydrophobicContact CD1-CD1 3.7Å; F42-F116 AromaticContact CD1-CD2 3.62Å; F42-F116 HydrophobicContact CD1-CD2 3.62Å; F42-F116 AromaticContact CD1-CE1 3.79Å; F42-F116 HydrophobicContact CD1-CE1 3.79Å; F42-F116 AromaticContact CD1-CE2 3.71Å; F42-F116 HydrophobicContact CD1-CE2 3.71Å; F42-F116 AromaticContact CD1-CG 3.61Å; F42-F116 HydrophobicContact CD1-CG 3.61Å; F42-F116 AromaticContact CD1-CZ 3.79Å; F42-F116 HydrophobicContact CD1-CZ 3.79Å; F42-F116 HydrophobicContact CE1-CB 3.92Å; F42-F116 HydrophobicContact CE1-CD1 4.04Å; F42-F116 AromaticContact CE1-CD2 3.93Å; F42-F116 HydrophobicContact CE1-CD2 3.93Å; F42-F116 HydrophobicContact CE1-CE2 4.48Å; F42-F116 AromaticContact CE1-CG 3.69Å; F42-F116 HydrophobicContact CE1-CG 3.69Å; F42-F116 HydrophobicContact CG-CE2 4.48Å; F42-F116 HydrophobicContact CG-CZ 4.49Å; E43-F116 HydrophobicContact CB-CE1 4.2Å; L55-F116 HydrophobicContact CD1-CB 4.44Å; L55-F116 HydrophobicContact CD1-CD1 3.87Å; R58-F116 HydrophobicContact CB-CD1 4.23Å; R58-F116 HydrophobicContact CB-CE1 4.16Å; R58-F116 HydrophobicContact CG-CD1 4.19Å; R58-F116 HydrophobicContact CG-CE1 3.7Å; R58-F116 HydrophobicContact CG-CZ 4.21Å; V114-F116 HydrophobicContact CB-CE2 4.04Å; V114-F116 HydrophobicContact CB-CZ 4.48Å; V114-F116 HydrophobicContact CG1-CD2 4.21Å; V114-F116 HydrophobicContact CG1-CE1 4.43Å; V114-F116 HydrophobicContact CG1-CE2 3.56Å; V114-F116 HydrophobicContact CG1-CZ 3.69Å; F116-L118 HydrophobicContact CB-CD2 4.43Å
117	Y	95.1	Very high	79.8	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.3	174	-62.3	-100.7	0	0	0	108	A29 V31 L56 Y57 C66 L69 I75 T115 F253	A29-Y117 HydrophobicContact CB-CD1 4.27Å; V31-Y117 HydrophobicContact CG2-CD1 3.75Å; V31-Y117 HydrophobicContact CG2-CE1 3.97Å; V31-Y117 HydrophobicContact CG2-CG 4.49Å; L56-Y117 WeakPolarHBondContact CB-O 3.34Å; L56-Y117 PolarHBondContact N-O 3.08Å; Y57-Y117 AromaticContact CD1-CD2 3.67Å; Y57-Y117 HydrophobicContact CD1-CD2 3.67Å; Y57-Y117 AromaticContact CD1-CE2 3.81Å; Y57-Y117 HydrophobicContact CD1-CE2 3.81Å; Y57-Y117 HydrophobicContact CE1-CE2 4.42Å; Y57-Y117 HydrophobicContact CG-CD2 4.4Å; Y57-Y117 PolarHBondContact N-O 3.26Å; Y57-Y117 PolarHBondContact O-N 2.98Å; C66-Y117 HydrophobicContact CB-CD2 4.42Å; C66-Y117 HydrophobicContact CB-CE1 4.24Å; C66-Y117 HydrophobicContact CB-CE2 3.66Å; L69-Y117 VanDerWaalsContact CD1-CB 3.41Å; L69-Y117 HydrophobicContact CD1-CD1 3.87Å; L69-Y117 HydrophobicContact CD1-CD2 4.2Å; L69-Y117 HydrophobicContact CD1-CG 3.58Å; I75-Y117 WeakPolarHBondContact CB-OH 3.36Å; I75-Y117 HydrophobicContact CD1-CE1 3.93Å; T115-Y117 HydrophobicContact CG2-CD2 3.97Å; T115-Y117 HydrophobicContact CG2-CE1 4.48Å; T115-Y117 HydrophobicContact CG2-CE2 3.37Å; Y117-F253 AromaticContact CD1-CD1 3.81Å; Y117-F253 HydrophobicContact CD1-CD1 3.81Å; Y117-F253 HydrophobicContact CD1-CE1 4.24Å; Y117-F253 HydrophobicContact CD1-CG 4.19Å; Y117-F253 HydrophobicContact CE1-CB 4.49Å; Y117-F253 AromaticContact CE1-CD1 3.7Å; Y117-F253 HydrophobicContact CE1-CD1 3.7Å; Y117-F253 HydrophobicContact CE1-CD2 4.18Å; Y117-F253 AromaticContact CE1-CE1 3.87Å; Y117-F253 HydrophobicContact CE1-CE1 3.87Å; Y117-F253 HydrophobicContact CE1-CE2 4.33Å; Y117-F253 AromaticContact CE1-CG 3.86Å; Y117-F253 HydrophobicContact CE1-CG 3.86Å; Y117-F253 HydrophobicContact CE1-CZ 4.19Å
118	L	92.3	Very high	81.1	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.1	-176.9	-48.7	175.1	0	0	0	108.9	A29 N30 F42 L53 P54 L55 F116	A29-L118 CarbonylContact C-O 3.56Å; A29-L118 WeakPolarHBondContact CA-O 3.49Å; N30-L118 HydrophobicContact CB-CB 4.23Å; N30-L118 PolarHBondContact N-O 3.2Å; N30-L118 PolarHBondContact O-N 3.39Å; F42-L118 HydrophobicContact CZ-CD1 4.47Å; L53-L118 HydrophobicContact CD2-CD1 3.81Å; P54-L118 CarbonylContact O-C 3.39Å; P54-L118 VanDerWaalsContact O-CA 3.32Å; P54-L118 WeakPolarHBondContact O-CA 3.19Å; L55-L118 HydrophobicContact CB-CD2 4.37Å; L55-L118 HydrophobicContact CD1-CD2 3.8Å; F116-L118 HydrophobicContact CB-CD2 4.43Å
119	G	84.3	Confident	82.2	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	153.9	179.4	0	0	0	0	0	113.2	N30 P54 R187	N30-G119 PolarHBondContact ND2-O 3.42Å; P54-G119 PolarHBondContact O-N 2.77Å; G119-R187 WeakPolarHBondContact CA-O 3.32Å
120	C	71.9	Confident	82.9	Confident	11 Å²	11	29.7 Å²	29.7	7%	0.074	17%	0.167	C	C	.	.			trans	-127.5	141.8	-172.4	-173.6	0	0	0	0	112.1	Q28 N30 F122 A188	Q28-C120 WeakPolarHBondContact O-CB 3.33Å; Q28-C120 PolarHBondContact O-N 2.9Å; N30-C120 WeakPolarHBondContact ND2-CB 3.42Å; C120-F122 VanDerWaalsContact C-N 3.29Å; C120-F122 PolarHBondContact O-N 3.38Å; C120-A188 VanDerWaalsContact O-CB 3.23Å; C120-A188 WeakPolarHBondContact O-CB 3.49Å
121	S	59.1	Low	83.3	Confident	7 Å²	7	30.2 Å²	30.2	5%	0.049	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-69.4	-14.8	-179.8	21.6	0	0	0	0	115.4	G123 F124 H189	S121-G123 PolarHBondContact O-N 3.02Å; S121-F124 VanDerWaalsContact O-CD1 3.23Å; S121-F124 WeakPolarHBondContact O-CD1 3.39Å; S121-F124 WeakPolarHBondContact O-CG 3.23Å; S121-F124 PolarHBondContact O-N 2.78Å; S121-H189 WeakPolarHBondContact CB-CD2 3.26Å; S121-H189 PolarHBondContact N-CD2 2.94Å; S121-H189 PolarHBondContact N-NE2 3.08Å; S121-H189 PolarHBondContact OG-CD2 3.12Å; S121-H189 VanDerWaalsContact OG-CD2 3.27Å; S121-H189 PolarHBondContact OG-NE2 3.08Å
122	F	58.4	Low	83.7	Confident	55 Å²	55	30 Å²	30	24%	0.241	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-56.6	-25	-172.6	-109.5	-83.9	0	0	0	113.2	C120 F124	C120-F122 VanDerWaalsContact C-N 3.29Å; C120-F122 PolarHBondContact O-N 3.38Å; F122-F124 PolarHBondContact O-N 2.85Å
123	G	59.5	Low	84	Confident	21 Å²	21	25.9 Å²	25.9	22%	0.216	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-66.8	-22.7	176.6	0	0	0	0	0	116.5	S121 D259	S121-G123 PolarHBondContact O-N 3.02Å; G123-D259 WeakPolarHBondContact CA-OD2 3.22Å
124	F	73.3	Confident	84	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-90.1	-9.9	-178.2	70.7	-120.8	0	0	0	114.7	S121 F122 G126 R127 L128 T182 W226	S121-F124 VanDerWaalsContact O-CD1 3.23Å; S121-F124 WeakPolarHBondContact O-CD1 3.39Å; S121-F124 WeakPolarHBondContact O-CG 3.23Å; S121-F124 PolarHBondContact O-N 2.78Å; F122-F124 PolarHBondContact O-N 2.85Å; F124-G126 VanDerWaalsContact C-N 3.35Å; F124-G126 PolarHBondContact O-N 3.35Å; F124-R127 PolarHBondContact O-N 3.08Å; F124-R127 VanDerWaalsContact O-N 3.12Å; F124-L128 HydrophobicContact CD2-CD1 3.69Å; F124-L128 HydrophobicContact CD2-CG 4.17Å; F124-L128 HydrophobicContact CE2-CD1 3.86Å; F124-L128 WeakPolarHBondContact O-CG 3.24Å; F124-L128 PolarHBondContact O-N 2.99Å; F124-T182 HydrophobicContact CB-CG2 4.14Å; F124-T182 HydrophobicContact CD1-CG2 4.25Å; F124-T182 HydrophobicContact CD2-CG2 3.72Å; F124-T182 HydrophobicContact CE2-CG2 4.12Å; F124-T182 HydrophobicContact CG-CG2 3.81Å; F124-W226 HydrophobicContact CE1-CG 4.28Å; F124-W226 HydrophobicContact CE2-CD2 4.47Å; F124-W226 HydrophobicContact CZ-CB 4.24Å; F124-W226 AromaticContact CZ-CD1 3.93Å; F124-W226 HydrophobicContact CZ-CD2 4.01Å; F124-W226 AromaticContact CZ-CG 3.82Å; F124-W226 HydrophobicContact CZ-CG 3.82Å
125	E	78.2	Confident	83.7	Confident	10 Å²	10	26.5 Å²	26.5	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-44.4	176.9	-66.3	-170.5	156.4	0	0	111.2	R127 L128 E129 V135 N137 R168	E125-R127 VanDerWaalsContact C-N 3.26Å; E125-R127 PolarHBondContact O-N 3.1Å; E125-L128 WeakPolarHBondContact O-CB 3.24Å; E125-L128 PolarHBondContact O-N 3.1Å; E125-L128 VanDerWaalsContact O-N 3.17Å; E125-E129 WeakPolarHBondContact O-CG 3.23Å; E125-E129 PolarHBondContact O-N 3.33Å; E125-V135 HydrophobicContact CB-CG1 4.41Å; E125-V135 HydrophobicContact CB-CG2 4.48Å; E125-V135 HydrophobicContact CG-CG1 4.22Å; E125-N137 PolarHBondContact OE1-ND2 3.08Å; E125-R168 IonicContact OE1-CZ 2.65Å; E125-R168 IonicContact OE1-NE 2.73Å; E125-R168 PolarHBondContact OE1-NE 3.07Å; E125-R168 IonicContact OE1-NH2 3.14Å; E125-R168 PolarHBondContact OE1-NH2 3.24Å
126	G	78.7	Confident	83.6	Confident	31 Å²	31	27 Å²	27	32%	0.32	16%	0.162	S	C	.	.	H	α-helix	trans	-59.7	-36.7	173.2	0	0	0	0	0	112.5	F124 E129 E130	F124-G126 VanDerWaalsContact C-N 3.35Å; F124-G126 PolarHBondContact O-N 3.35Å; G126-E129 PolarHBondContact O-N 3.47Å; G126-E130 WeakPolarHBondContact O-CB 3.43Å; G126-E130 VanDerWaalsContact O-CG 3.27Å; G126-E130 WeakPolarHBondContact O-CG 3.5Å; G126-E130 PolarHBondContact O-N 3.38Å
127	R	80.9	Confident	83.2	Confident	23 Å²	23	27.2 Å²	27.2	9%	0.087	16%	0.164	C	C	.	.	H	α-helix	trans	-71.2	-34.1	176.9	-63.8	-167.9	-174.8	126.7	15.6	113.1	F124 E125 A131 V181 N185 D259 A260	F124-R127 PolarHBondContact O-N 3.08Å; F124-R127 VanDerWaalsContact O-N 3.12Å; E125-R127 VanDerWaalsContact C-N 3.26Å; E125-R127 PolarHBondContact O-N 3.1Å; R127-A131 WeakPolarHBondContact O-CB 3.37Å; R127-A131 PolarHBondContact O-N 3.37Å; R127-V181 HydrophobicContact CB-CB 4.28Å; R127-V181 HydrophobicContact CB-CG2 4.45Å; R127-N185 PolarHBondContact NH1-ND2 2.7Å; R127-D259 IonicContact CZ-OD1 3.01Å; R127-D259 IonicContact NH1-OD1 3.53Å; R127-D259 PolarHBondContact NH2-O 2.81Å; R127-D259 IonicContact NH2-OD1 3.93Å; R127-D259 PolarHBondContact NH2-OD1 3.24Å; R127-A260 VanDerWaalsContact NH2-C 3.34Å
128	L	88.2	Confident	83	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-47.2	171.9	-72.1	172.8	0	0	0	109.6	F124 E125 A131 G132 V133 V135 A178 V181 T182	F124-L128 HydrophobicContact CD2-CD1 3.69Å; F124-L128 HydrophobicContact CD2-CG 4.17Å; F124-L128 HydrophobicContact CE2-CD1 3.86Å; F124-L128 WeakPolarHBondContact O-CG 3.24Å; F124-L128 PolarHBondContact O-N 2.99Å; E125-L128 WeakPolarHBondContact O-CB 3.24Å; E125-L128 PolarHBondContact O-N 3.1Å; E125-L128 VanDerWaalsContact O-N 3.17Å; L128-A131 CarbonylContact O-C 3.53Å; L128-A131 PolarHBondContact O-N 3.27Å; L128-G132 PolarHBondContact O-N 2.96Å; L128-V133 CarbonylContact C-O 3.48Å; L128-V133 HydrophobicContact CB-CB 4.07Å; L128-V133 HydrophobicContact CD2-CB 4.01Å; L128-V133 HydrophobicContact CD2-CG1 4.04Å; L128-V133 HydrophobicContact CD2-CG2 4.24Å; L128-V133 WeakPolarHBondContact O-CA 3.49Å; L128-V133 WeakPolarHBondContact O-CB 3.39Å; L128-V133 PolarHBondContact O-N 3.35Å; L128-V135 HydrophobicContact CB-CG2 3.81Å; L128-V135 HydrophobicContact CD1-CG2 4.29Å; L128-A178 HydrophobicContact CD2-CB 3.86Å; L128-V181 HydrophobicContact CD2-CG2 3.71Å; L128-V181 HydrophobicContact CG-CG2 4.35Å; L128-T182 HydrophobicContact CD2-CG2 4.07Å; L128-T182 HydrophobicContact CG-CG2 4.4Å
129	E	89	Confident	83	Confident	104 Å²	104	34.4 Å²	34.4	49%	0.486	20%	0.201	S	C	.	.	H	α-helix	trans	-62	-44.9	177	-67.7	178.8	165.1	0	0	112.6	E125 G126 A131 G132 V135	E125-E129 WeakPolarHBondContact O-CG 3.23Å; E125-E129 PolarHBondContact O-N 3.33Å; G126-E129 PolarHBondContact O-N 3.47Å; E129-A131 VanDerWaalsContact C-N 3.25Å; E129-A131 PolarHBondContact O-N 3.31Å; E129-G132 WeakPolarHBondContact O-CA 3.44Å; E129-G132 PolarHBondContact O-N 3.46Å; E129-V135 HydrophobicContact CG-CB 4.42Å; E129-V135 HydrophobicContact CG-CG2 3.76Å
130	E	88.4	Confident	83.4	Confident	167 Å²	167	37.1 Å²	37.1	78%	0.78	21%	0.214	S	C	*	.	H	α-helix	trans	-59.7	-34.2	175.5	-76.3	170.1	-175.1	0	0	112.6	G126 G132	G126-E130 WeakPolarHBondContact O-CB 3.43Å; G126-E130 VanDerWaalsContact O-CG 3.27Å; G126-E130 WeakPolarHBondContact O-CG 3.5Å; G126-E130 PolarHBondContact O-N 3.38Å; E130-G132 PolarHBondContact O-N 3.01Å
131	A	90.2	Very high	84.2	Confident	41 Å²	41	40.1 Å²	40.1	34%	0.339	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	4.3	174.3	0	0	0	0	0	113.8	R127 L128 E129 V133 V181	R127-A131 WeakPolarHBondContact O-CB 3.37Å; R127-A131 PolarHBondContact O-N 3.37Å; L128-A131 CarbonylContact O-C 3.53Å; L128-A131 PolarHBondContact O-N 3.27Å; E129-A131 VanDerWaalsContact C-N 3.25Å; E129-A131 PolarHBondContact O-N 3.31Å; A131-V133 VanDerWaalsContact C-N 3.26Å; A131-V133 HydrophobicContact CB-CG2 4.34Å; A131-V133 PolarHBondContact O-N 3.38Å; A131-V181 HydrophobicContact CB-CG1 3.72Å
132	G	94.1	Very high	85.5	Confident	51 Å²	51	43.6 Å²	43.6	53%	0.526	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	11.6	-178.8	0	0	0	0	0	114.4	L128 E129 E130 L174	L128-G132 PolarHBondContact O-N 2.96Å; E129-G132 WeakPolarHBondContact O-CA 3.44Å; E129-G132 PolarHBondContact O-N 3.46Å; E130-G132 PolarHBondContact O-N 3.01Å; G132-L174 WeakPolarHBondContact O-CD1 3.29Å
133	V	95.9	Very high	86.7	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.012	27%	0.273	C	S	.	.			trans	-82.3	118.4	174.3	-172.9	0	0	0	0	109.2	L128 A131 V135 V170 L174 A177 A178	L128-V133 CarbonylContact C-O 3.48Å; L128-V133 HydrophobicContact CB-CB 4.07Å; L128-V133 HydrophobicContact CD2-CB 4.01Å; L128-V133 HydrophobicContact CD2-CG1 4.04Å; L128-V133 HydrophobicContact CD2-CG2 4.24Å; L128-V133 WeakPolarHBondContact O-CA 3.49Å; L128-V133 WeakPolarHBondContact O-CB 3.39Å; L128-V133 PolarHBondContact O-N 3.35Å; A131-V133 VanDerWaalsContact C-N 3.26Å; A131-V133 HydrophobicContact CB-CG2 4.34Å; A131-V133 PolarHBondContact O-N 3.38Å; V133-V135 PolarHBondContact O-N 3.41Å; V133-V170 HydrophobicContact CG1-CG1 3.86Å; V133-V170 HydrophobicContact CG1-CG2 4.3Å; V133-L174 HydrophobicContact CG2-CB 4.28Å; V133-A177 HydrophobicContact CG2-CB 3.93Å; V133-A178 HydrophobicContact CG1-CB 4.22Å; V133-A178 HydrophobicContact CG2-CB 4.3Å
134	P	94	Very high	88.1	Confident	23 Å²	23	45 Å²	45	15%	0.149	26%	0.264	C	S	.	.			trans	-68.9	134.4	-177.5	27.6	-34.1	0	0	0	111.7	R136 E139 P171	P134-R136 VanDerWaalsContact CB-NH1 3.26Å; P134-E139 WeakPolarHBondContact CB-OE1 3.43Å; P134-P171 HydrophobicContact CG-CG 3.72Å
135	V	92.5	Very high	89	Confident	3 Å²	3	45 Å²	45	2%	0.018	26%	0.264	C	S	.	.			trans	-100.3	88	175.8	-174.5	0	0	0	0	108.8	E125 L128 E129 V133 N137 V138 E139	E125-V135 HydrophobicContact CB-CG1 4.41Å; E125-V135 HydrophobicContact CB-CG2 4.48Å; E125-V135 HydrophobicContact CG-CG1 4.22Å; L128-V135 HydrophobicContact CB-CG2 3.81Å; L128-V135 HydrophobicContact CD1-CG2 4.29Å; E129-V135 HydrophobicContact CG-CB 4.42Å; E129-V135 HydrophobicContact CG-CG2 3.76Å; V133-V135 PolarHBondContact O-N 3.41Å; V135-N137 VanDerWaalsContact C-N 3.28Å; V135-N137 WeakPolarHBondContact CG1-OD1 3.37Å; V135-N137 PolarHBondContact O-N 3.34Å; V135-V138 HydrophobicContact CB-CB 4.22Å; V135-V138 HydrophobicContact CB-CG2 4.18Å; V135-V138 HydrophobicContact CG1-CB 4.03Å; V135-V138 HydrophobicContact CG1-CG2 3.56Å; V135-V138 WeakPolarHBondContact O-CB 3.43Å; V135-V138 PolarHBondContact O-N 3.17Å; V135-E139 PolarHBondContact O-N 3.34Å
136	R	93.9	Very high	89.8	Confident	15 Å²	15	45.5 Å²	45.5	6%	0.057	27%	0.267	C	S	.	.	H	α-helix	trans	-56.4	-36.2	-170.1	-62.3	-56.8	-172.2	-144.5	-10.2	114.4	P134 V138 E139 Q140 P169 V215 R218 D221	P134-R136 VanDerWaalsContact CB-NH1 3.26Å; R136-V138 VanDerWaalsContact C-N 3.32Å; R136-V138 PolarHBondContact O-N 2.84Å; R136-E139 VanDerWaalsContact CD-OE2 3.32Å; R136-E139 WeakPolarHBondContact CD-OE2 3.23Å; R136-E139 IonicContact CZ-OE2 3.47Å; R136-E139 IonicContact NH1-OE1 2.76Å; R136-E139 PolarHBondContact NH1-OE1 2.97Å; R136-E139 IonicContact NH1-OE2 2.75Å; R136-E139 PolarHBondContact NH1-OE2 3.5Å; R136-E139 PolarHBondContact O-N 2.75Å; R136-Q140 WeakPolarHBondContact O-CB 3.26Å; R136-Q140 WeakPolarHBondContact O-CG 3.48Å; R136-Q140 PolarHBondContact O-N 2.82Å; R136-P169 HydrophobicContact CB-CG 4.13Å; R136-P169 HydrophobicContact CG-CB 3.87Å; R136-P169 HydrophobicContact CG-CG 3.91Å; R136-V215 HydrophobicContact CB-CG1 3.68Å; R136-R218 VanDerWaalsContact NH1-NH1 3.14Å; R136-D221 IonicContact CZ-OD1 2.79Å; R136-D221 IonicContact CZ-OD2 3.19Å; R136-D221 IonicContact NE-OD1 3.98Å; R136-D221 IonicContact NE-OD2 3.24Å; R136-D221 PolarHBondContact NE-OD2 3.39Å; R136-D221 IonicContact NH2-OD1 2.86Å; R136-D221 PolarHBondContact NH2-OD1 3.23Å; R136-D221 IonicContact NH2-OD2 2.87Å
137	N	90.1	Very high	90.7	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.027	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-39.8	176.6	56.9	-72.1	0	0	0	111.7	E125 V135 Q140 G141 R142 V215	E125-N137 PolarHBondContact OE1-ND2 3.08Å; V135-N137 VanDerWaalsContact C-N 3.28Å; V135-N137 WeakPolarHBondContact CG1-OD1 3.37Å; V135-N137 PolarHBondContact O-N 3.34Å; N137-Q140 PolarHBondContact O-N 2.95Å; N137-G141 PolarHBondContact O-N 2.84Å; N137-R142 CarbonylContact C-O 3.41Å; N137-R142 PolarHBondContact O-N 2.89Å; N137-V215 HydrophobicContact CB-CG2 3.72Å
138	V	89.3	Confident	91.5	Very high	54 Å²	54	48.6 Å²	48.6	33%	0.327	27%	0.269	S	S	.	.	H	α-helix	trans	-67.7	-46.9	175.7	175.6	0	0	0	0	110.6	V135 R136 Q140 G141	V135-V138 HydrophobicContact CB-CB 4.22Å; V135-V138 HydrophobicContact CB-CG2 4.18Å; V135-V138 HydrophobicContact CG1-CB 4.03Å; V135-V138 HydrophobicContact CG1-CG2 3.56Å; V135-V138 WeakPolarHBondContact O-CB 3.43Å; V135-V138 PolarHBondContact O-N 3.17Å; R136-V138 VanDerWaalsContact C-N 3.32Å; R136-V138 PolarHBondContact O-N 2.84Å; V138-Q140 PolarHBondContact O-N 2.89Å; V138-G141 PolarHBondContact O-N 3.27Å
139	E	92.6	Very high	92	Very high	97 Å²	97	48.9 Å²	48.9	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-55.4	-35.6	175.4	-66.3	-180	172.6	0	0	112.4	P134 V135 R136 R218	P134-E139 WeakPolarHBondContact CB-OE1 3.43Å; V135-E139 PolarHBondContact O-N 3.34Å; R136-E139 VanDerWaalsContact CD-OE2 3.32Å; R136-E139 WeakPolarHBondContact CD-OE2 3.23Å; R136-E139 IonicContact CZ-OE2 3.47Å; R136-E139 IonicContact NH1-OE1 2.76Å; R136-E139 PolarHBondContact NH1-OE1 2.97Å; R136-E139 IonicContact NH1-OE2 2.75Å; R136-E139 PolarHBondContact NH1-OE2 3.5Å; R136-E139 PolarHBondContact O-N 2.75Å; E139-R218 IonicContact OE2-CZ 2.84Å; E139-R218 IonicContact OE2-NH1 3.25Å; E139-R218 IonicContact OE2-NH2 3.52Å; E139-R218 PolarHBondContact OE2-NH2 3.31Å
140	Q	92.6	Very high	92.4	Very high	57 Å²	57	47.1 Å²	47.1	27%	0.266	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.3	-178.6	-66.7	172.7	40.5	0	0	113.6	R136 N137 V138 R142 E216	R136-Q140 WeakPolarHBondContact O-CB 3.26Å; R136-Q140 WeakPolarHBondContact O-CG 3.48Å; R136-Q140 PolarHBondContact O-N 2.82Å; N137-Q140 PolarHBondContact O-N 2.95Å; V138-Q140 PolarHBondContact O-N 2.89Å; Q140-R142 VanDerWaalsContact C-N 3.29Å; Q140-R142 HydrophobicContact CB-CB 4.45Å; Q140-R142 HydrophobicContact CB-CG 4.05Å; Q140-R142 PolarHBondContact O-N 3Å; Q140-E216 PolarHBondContact NE2-O 3.16Å; Q140-E216 VanDerWaalsContact OE1-N 3.1Å
141	G	88.4	Confident	92.8	Very high	75 Å²	75	40.9 Å²	40.9	77%	0.773	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	33.2	-175.8	0	0	0	0	0	113.7	N137 V138	N137-G141 PolarHBondContact O-N 2.84Å; V138-G141 PolarHBondContact O-N 3.27Å
142	R	88	Confident	93.1	Very high	80 Å²	80	44.9 Å²	44.9	30%	0.302	26%	0.259	S	S	.	.			trans	-113.8	150.7	-176	-69.5	-171.3	-172.6	168.3	8.5	110.8	N137 Q140 D213 P214 E216	N137-R142 CarbonylContact C-O 3.41Å; N137-R142 PolarHBondContact O-N 2.89Å; Q140-R142 VanDerWaalsContact C-N 3.29Å; Q140-R142 HydrophobicContact CB-CB 4.45Å; Q140-R142 HydrophobicContact CB-CG 4.05Å; Q140-R142 PolarHBondContact O-N 3Å; R142-D213 HydrophobicContact CB-CB 3.92Å; R142-D213 HydrophobicContact CG-CB 4.28Å; R142-P214 WeakPolarHBondContact CD-O 3.5Å; R142-P214 PolarHBondContact NH1-O 3.2Å; R142-E216 IonicContact CZ-OE1 2.91Å; R142-E216 IonicContact NH1-OE1 2.62Å; R142-E216 PolarHBondContact NH1-OE1 3.31Å; R142-E216 IonicContact NH2-OE1 2.66Å; R142-E216 PolarHBondContact NH2-OE1 3.01Å
143	N	83.8	Confident	93.2	Very high	100 Å²	100	42.8 Å²	42.8	54%	0.535	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-67.1	148.4	165.6	-70.2	-42.8	0	0	0	109.7	S145 D213	N143-S145 PolarHBondContact O-N 2.85Å; N143-D213 VanDerWaalsContact CB-OD2 3.32Å; N143-D213 WeakPolarHBondContact CB-OD2 3.32Å; N143-D213 PolarHBondContact N-OD2 3.08Å; N143-D213 PolarHBondContact ND2-OD2 3.17Å; N143-D213 PolarHBondContact O-N 3.31Å
144	V	87.9	Confident	93.2	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-60.2	138.3	178.1	66	0	0	0	0	110.9	M146 T166 R168	V144-M146 HydrophobicContact CG1-CE 3.51Å; V144-M146 HydrophobicContact CG1-CG 4.34Å; V144-T166 HydrophobicContact CG1-CG2 3.95Å; V144-T166 HydrophobicContact CG2-CG2 4.27Å; V144-R168 HydrophobicContact CG2-CG 4.21Å
145	S	93.1	Very high	93.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.5	175	-52.3	0	0	0	0	110.6	N143 T166 M167 D213 V215	N143-S145 PolarHBondContact O-N 2.85Å; S145-T166 WeakPolarHBondContact O-CA 3.49Å; S145-M167 PolarHBondContact O-N 3.48Å; S145-D213 WeakPolarHBondContact CA-O 3.3Å; S145-D213 WeakPolarHBondContact CB-O 3.39Å; S145-D213 PolarHBondContact OG-O 2.81Å; S145-V215 WeakPolarHBondContact OG-CG2 3.35Å; S145-V215 PolarHBondContact OG-N 2.82Å
146	M	94.9	Very high	93.5	Very high	22 Å²	22	52.2 Å²	52.2	11%	0.108	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.3	177.2	-46.1	173.9	-166.9	0	0	110.6	V144 V164 V165 T166 P209 D210 Y211 V230	V144-M146 HydrophobicContact CG1-CE 3.51Å; V144-M146 HydrophobicContact CG1-CG 4.34Å; M146-V164 HydrophobicContact CB-CG1 4.25Å; M146-V165 CarbonylContact C-O 3.56Å; M146-V165 WeakPolarHBondContact CA-O 3.36Å; M146-T166 HydrophobicContact CG-CG2 3.98Å; M146-P209 WeakPolarHBondContact O-CB 3.19Å; M146-D210 PolarHBondContact O-N 3.3Å; M146-Y211 PolarHBondContact N-O 3.12Å; M146-Y211 PolarHBondContact O-N 3.29Å; M146-V230 HydrophobicContact SD-CB 4.45Å; M146-V230 HydrophobicContact SD-CG2 3.68Å
147	F	97.4	Very high	93.5	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.1	-173.4	-59.5	-89.8	0	0	0	110.8	V164 V165 M167 I203 L206 P209 D210	F147-V164 WeakPolarHBondContact O-CA 3.08Å; F147-V165 HydrophobicContact CB-CG2 4.28Å; F147-V165 PolarHBondContact N-O 2.89Å; F147-V165 PolarHBondContact O-N 3.1Å; F147-M167 HydrophobicContact CD2-CB 4.12Å; F147-M167 HydrophobicContact CE2-CB 3.79Å; F147-M167 HydrophobicContact CE2-CE 4.4Å; F147-I203 HydrophobicContact CB-CD1 3.47Å; F147-I203 VanDerWaalsContact CB-CD1 3.47Å; F147-I203 HydrophobicContact CB-CG1 3.84Å; F147-I203 HydrophobicContact CB-CG2 4.47Å; F147-I203 HydrophobicContact CD1-CG2 3.63Å; F147-I203 HydrophobicContact CD2-CD1 4.27Å; F147-I203 HydrophobicContact CE1-CG2 3.99Å; F147-I203 HydrophobicContact CG-CD1 3.87Å; F147-I203 HydrophobicContact CG-CG1 4.29Å; F147-I203 HydrophobicContact CG-CG2 4.04Å; F147-L206 HydrophobicContact CE1-CD2 4.33Å; F147-L206 HydrophobicContact CE2-CD2 4.03Å; F147-L206 HydrophobicContact CZ-CB 4.43Å; F147-L206 HydrophobicContact CZ-CD2 3.82Å; F147-L206 WeakPolarHBondContact CZ-O 3.47Å; F147-P209 HydrophobicContact CD1-CB 4.42Å; F147-P209 VanDerWaalsContact CE1-CA 3.45Å; F147-P209 HydrophobicContact CE1-CB 3.93Å; F147-P209 HydrophobicContact CE2-CB 4.44Å; F147-P209 HydrophobicContact CZ-CB 3.93Å; F147-D210 WeakPolarHBondContact CA-OD2 3.48Å
148	R	97.4	Very high	93.7	Very high	114 Å²	114	56.7 Å²	56.7	43%	0.43	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.6	161.7	-71.8	-177.5	-75.3	-168	-4.4	108.4	P162 V164 D210 E234	R148-P162 HydrophobicContact CG-CG 4.44Å; R148-V164 HydrophobicContact CG-CG2 4.18Å; R148-D210 WeakPolarHBondContact CB-OD2 3.5Å; R148-D210 HydrophobicContact CG-CB 4.33Å; R148-D210 IonicContact CZ-OD1 3.88Å; R148-D210 VanDerWaalsContact CZ-OD1 3.26Å; R148-D210 PolarHBondContact N-OD2 2.91Å; R148-D210 IonicContact NE-OD1 2.66Å; R148-D210 PolarHBondContact NE-OD1 2.83Å; R148-D210 IonicContact NE-OD2 3.33Å; R148-D210 IonicContact NH2-OD1 3.94Å; R148-D210 PolarHBondContact NH2-OD1 2.89Å; R148-E234 WeakPolarHBondContact CD-OE1 3.45Å; R148-E234 HydrophobicContact CG-CG 4.45Å
149	T	98.3	Very high	94.1	Very high	9 Å²	9	54.1 Å²	54.1	6%	0.055	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	165.3	179.3	70	0	0	0	0	111.1	V151 P162 L163 V165 L201 I203	T149-V151 PolarHBondContact O-N 2.76Å; T149-V151 WeakPolarHBondContact OG1-CB 3.16Å; T149-V151 PolarHBondContact OG1-N 2.53Å; T149-V151 PolarHBondContact OG1-O 2.94Å; T149-P162 VanDerWaalsContact O-CB 3.26Å; T149-P162 WeakPolarHBondContact O-CB 3.37Å; T149-L163 WeakPolarHBondContact CB-O 3.24Å; T149-L163 WeakPolarHBondContact CG2-O 3.32Å; T149-L163 PolarHBondContact N-O 2.79Å; T149-L163 PolarHBondContact OG1-O 2.89Å; T149-V165 HydrophobicContact CG2-CB 4.36Å; T149-V165 HydrophobicContact CG2-CG1 3.87Å; T149-V165 HydrophobicContact CG2-CG2 3.64Å; T149-L201 CarbonylContact C-O 3.56Å; T149-L201 VanDerWaalsContact CA-O 3.3Å; T149-L201 WeakPolarHBondContact CA-O 3.21Å; T149-L201 VanDerWaalsContact CB-O 3.29Å; T149-L201 WeakPolarHBondContact CB-O 3.49Å; T149-L201 HydrophobicContact CG2-CB 4.03Å; T149-L201 HydrophobicContact CG2-CD1 4.24Å; T149-I203 HydrophobicContact CG2-CD1 4.34Å
150	A	97.5	Very high	94.2	Very high	66 Å²	66	57.5 Å²	57.5	55%	0.545	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-12.6	166.4	0	0	0	0	0	112.6	H152 L201	A150-H152 PolarHBondContact O-ND1 2.91Å; A150-L201 PolarHBondContact N-O 3.05Å
151	V	96.7	Very high	94.4	Very high	37 Å²	37	54.9 Å²	54.9	22%	0.224	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	123.8	178.1	-173.7	0	0	0	0	108.9	T149 L163 L201 R544 L546	T149-V151 PolarHBondContact O-N 2.76Å; T149-V151 WeakPolarHBondContact OG1-CB 3.16Å; T149-V151 PolarHBondContact OG1-N 2.53Å; T149-V151 PolarHBondContact OG1-O 2.94Å; V151-L163 WeakPolarHBondContact O-CB 3.36Å; V151-L163 PolarHBondContact O-N 2.99Å; V151-L201 HydrophobicContact CG2-CD2 3.98Å; V151-R544 HydrophobicContact CG1-CB 4.41Å; V151-R544 HydrophobicContact CG1-CG 4.25Å; V151-R544 HydrophobicContact CG2-CG 4.45Å; V151-L546 HydrophobicContact CG1-CD1 3.74Å
152	H	96.5	Very high	94.9	Very high	125 Å²	125	52.6 Å²	52.6	58%	0.579	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	141.7	179.7	-73.7	68	0	0	0	111.6	A150 L546	A150-H152 PolarHBondContact O-ND1 2.91Å; H152-L546 VanDerWaalsContact O-CD1 3.27Å; H152-L546 WeakPolarHBondContact O-CD1 3.35Å
153	C	96.9	Very high	95.3	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.041	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-60.6	152.5	167.6	-69.6	0	0	0	0	110.8	F45 N49 P155 C161 T231	F45-C153 HydrophobicContact CE2-CB 3.72Å; F45-C153 HydrophobicContact CZ-CB 3.48Å; F45-C153 VanDerWaalsContact CZ-CB 3.48Å; N49-C153 WeakPolarHBondContact OD1-CA 3.33Å; N49-C153 WeakPolarHBondContact OD1-CB 3.48Å; C153-P155 WeakPolarHBondContact O-CD 3.44Å; C153-C161 PolarHBondContact N-O 3.35Å; C153-T231 VanDerWaalsContact SG-CG2 3.53Å
154	I	96.4	Very high	95.9	Very high	72 Å²	72	44 Å²	44	37%	0.369	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-66.4	117.8	172.8	-58.2	-170.9	0	0	0	108.3	F45 N49	F45-I154 VanDerWaalsContact CD2-O 3.26Å; F45-I154 WeakPolarHBondContact CD2-O 3.36Å; F45-I154 WeakPolarHBondContact CE2-O 3.28Å; N49-I154 PolarHBondContact ND2-O 3.24Å; N49-I154 PolarHBondContact OD1-N 3.47Å
155	P	96.5	Very high	96.3	Very high	77 Å²	77	43.8 Å²	43.8	50%	0.5	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-72.9	147	-172.2	30.2	-35.7	0	0	0	112	C153 F159 R160	C153-P155 WeakPolarHBondContact O-CD 3.44Å; P155-F159 VanDerWaalsContact CA-O 3.29Å; P155-F159 WeakPolarHBondContact CA-O 3.28Å; P155-R160 HydrophobicContact CB-CB 4.27Å
156	K	96.1	Very high	96.4	Very high	77 Å²	77	43.9 Å²	43.9	34%	0.335	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-145	129.8	173.7	-74.1	-66.4	-168.4	162.1	0	109.5	D44 F45 S48 E158 F159	D44-K156 HydrophobicContact CB-CB 4.3Å; D44-K156 HydrophobicContact CB-CD 4.19Å; D44-K156 HydrophobicContact CB-CG 4.11Å; F45-K156 HydrophobicContact CB-CB 3.93Å; F45-K156 HydrophobicContact CB-CG 4.46Å; F45-K156 HydrophobicContact CD2-CB 4.2Å; S48-K156 WeakPolarHBondContact OG-CE 3.34Å; K156-E158 PolarHBondContact O-N 3.49Å; K156-F159 PolarHBondContact N-O 2.98Å; K156-F159 WeakPolarHBondContact O-CB 3.4Å; K156-F159 PolarHBondContact O-N 3.14Å
157	G	94.1	Very high	96.5	Very high	47 Å²	47	42.9 Å²	42.9	49%	0.485	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	-124.7	-174.1	0	0	0	0	0	112.2	D41	D41-G157 WeakPolarHBondContact OD2-CA 3.28Å
158	E	94.4	Very high	96.4	Very high	67 Å²	67	42.8 Å²	42.8	31%	0.313	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.3	175.5	58.1	176.4	-146	0	0	114.7	I38 K156 R160 S239	I38-E158 WeakPolarHBondContact CD1-OE1 3.29Å; I38-E158 VanDerWaalsContact CG2-CD 3.44Å; I38-E158 HydrophobicContact CG2-CG 4.33Å; I38-E158 WeakPolarHBondContact CG2-OE1 3.31Å; K156-E158 PolarHBondContact O-N 3.49Å; E158-R160 PolarHBondContact O-N 2.93Å; E158-S239 WeakPolarHBondContact OE1-CB 3.5Å
159	F	96.4	Very high	96.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-79.8	118.2	-176.3	-59	-76.1	0	0	0	112.1	L34 I38 D41 F42 F45 P155 K156 A235 S239	L34-F159 HydrophobicContact CD1-CE1 4.36Å; L34-F159 HydrophobicContact CD1-CZ 4.08Å; I38-F159 HydrophobicContact CB-CE2 4.43Å; I38-F159 HydrophobicContact CB-CZ 4.26Å; I38-F159 HydrophobicContact CD1-CZ 3.98Å; I38-F159 HydrophobicContact CG1-CZ 4.35Å; I38-F159 WeakPolarHBondContact O-CE2 3.45Å; D41-F159 HydrophobicContact CB-CD2 4.04Å; D41-F159 HydrophobicContact CB-CE2 3.86Å; F42-F159 VanDerWaalsContact CA-CE2 3.49Å; F42-F159 HydrophobicContact CB-CD2 4.24Å; F42-F159 HydrophobicContact CB-CE1 4.43Å; F42-F159 HydrophobicContact CB-CE2 3.52Å; F42-F159 HydrophobicContact CB-CZ 3.63Å; F42-F159 AromaticContact CD2-CD1 3.88Å; F42-F159 HydrophobicContact CD2-CD1 3.88Å; F42-F159 HydrophobicContact CD2-CD2 4.26Å; F42-F159 AromaticContact CD2-CE1 3.58Å; F42-F159 HydrophobicContact CD2-CE1 3.58Å; F42-F159 HydrophobicContact CD2-CE2 4.02Å; F42-F159 HydrophobicContact CD2-CG 4.2Å; F42-F159 AromaticContact CD2-CZ 3.66Å; F42-F159 HydrophobicContact CD2-CZ 3.66Å; F42-F159 HydrophobicContact CE2-CD1 4.49Å; F42-F159 HydrophobicContact CE2-CE1 4.33Å; F42-F159 HydrophobicContact CG-CE1 4.4Å; F42-F159 HydrophobicContact CG-CE2 4.27Å; F42-F159 HydrophobicContact CG-CZ 4.04Å; F42-F159 VanDerWaalsContact N-CE2 3.33Å; F45-F159 HydrophobicContact CB-CB 4.17Å; F45-F159 HydrophobicContact CB-CD2 4.32Å; F45-F159 HydrophobicContact CB-CG 4.42Å; F45-F159 HydrophobicContact CD1-CB 3.93Å; F45-F159 HydrophobicContact CD1-CG 4.35Å; F45-F159 HydrophobicContact CD2-CB 3.67Å; F45-F159 HydrophobicContact CE1-CB 4.19Å; F45-F159 HydrophobicContact CE2-CB 3.97Å; F45-F159 HydrophobicContact CG-CB 3.65Å; F45-F159 HydrophobicContact CG-CG 4.26Å; F45-F159 HydrophobicContact CZ-CB 4.22Å; P155-F159 VanDerWaalsContact CA-O 3.29Å; P155-F159 WeakPolarHBondContact CA-O 3.28Å; K156-F159 PolarHBondContact N-O 2.98Å; K156-F159 WeakPolarHBondContact O-CB 3.4Å; K156-F159 PolarHBondContact O-N 3.14Å; F159-A235 HydrophobicContact CD1-CB 4.01Å; F159-S239 WeakPolarHBondContact CE1-OG 3.07Å
160	R	95.6	Very high	96.3	Very high	169 Å²	169	37 Å²	37	64%	0.638	20%	0.202	S	C	*	.			trans	-150.8	107.9	175	60.3	-176.2	75.8	-169.9	2.4	109.6	P155 E158 S238	P155-R160 HydrophobicContact CB-CB 4.27Å; E158-R160 PolarHBondContact O-N 2.93Å; R160-S238 WeakPolarHBondContact O-CB 3.46Å; R160-S238 PolarHBondContact O-OG 2.99Å; R160-S238 VanDerWaalsContact O-OG 3.13Å
161	C	96.9	Very high	96.3	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.014	19%	0.186	C	C	.	.			trans	-145.3	158.8	-176.9	65.3	0	0	0	0	112.1	C153 E234	C153-C161 PolarHBondContact N-O 3.35Å; C161-E234 HydrophobicContact CB-CB 3.81Å
162	P	97.4	Very high	96.3	Very high	26 Å²	26	35.7 Å²	35.7	17%	0.169	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	146.3	168.7	27.7	-34.8	0	0	0	110.9	R148 T149	R148-P162 HydrophobicContact CG-CG 4.44Å; T149-P162 VanDerWaalsContact O-CB 3.26Å; T149-P162 WeakPolarHBondContact O-CB 3.37Å
163	L	97.5	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	132.1	165	167.5	65.8	0	0	0	108.6	P52 T149 V151 V165 A227 R544 L546	P52-L163 HydrophobicContact CB-CD1 3.64Å; P52-L163 HydrophobicContact CG-CD1 3.79Å; T149-L163 WeakPolarHBondContact CB-O 3.24Å; T149-L163 WeakPolarHBondContact CG2-O 3.32Å; T149-L163 PolarHBondContact N-O 2.79Å; T149-L163 PolarHBondContact OG1-O 2.89Å; V151-L163 WeakPolarHBondContact O-CB 3.36Å; V151-L163 PolarHBondContact O-N 2.99Å; L163-V165 HydrophobicContact CD2-CG1 4.03Å; L163-V165 HydrophobicContact CG-CG1 4.01Å; L163-A227 HydrophobicContact CD1-CB 4.08Å; L163-R544 HydrophobicContact CD2-CB 4.29Å; L163-L546 HydrophobicContact CD1-CD2 4.38Å
164	V	96.5	Very high	96.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.7	168.6	-176.2	0	0	0	0	109.2	M146 F147 R148 C228 V230 T231 E234	M146-V164 HydrophobicContact CB-CG1 4.25Å; F147-V164 WeakPolarHBondContact O-CA 3.08Å; R148-V164 HydrophobicContact CG-CG2 4.18Å; V164-C228 HydrophobicContact CB-CB 4.35Å; V164-C228 HydrophobicContact CG1-CB 4.09Å; V164-C228 VanDerWaalsContact O-CB 3.32Å; V164-C228 WeakPolarHBondContact O-CB 3.23Å; V164-C228 PolarHBondContact O-N 2.8Å; V164-V230 HydrophobicContact CB-CB 4.49Å; V164-V230 HydrophobicContact CG1-CB 4.06Å; V164-V230 HydrophobicContact CG1-CG1 4.08Å; V164-V230 HydrophobicContact CG2-CG1 4.41Å; V164-T231 PolarHBondContact N-OG1 2.95Å; V164-T231 PolarHBondContact O-OG1 3.28Å; V164-E234 HydrophobicContact CG2-CG 3.52Å
165	V	96.6	Very high	96.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.3	177.4	-63.1	0	0	0	0	111.4	M146 F147 T149 L163 V193 L201 I203 F225 W226	M146-V165 CarbonylContact C-O 3.56Å; M146-V165 WeakPolarHBondContact CA-O 3.36Å; F147-V165 HydrophobicContact CB-CG2 4.28Å; F147-V165 PolarHBondContact N-O 2.89Å; F147-V165 PolarHBondContact O-N 3.1Å; T149-V165 HydrophobicContact CG2-CB 4.36Å; T149-V165 HydrophobicContact CG2-CG1 3.87Å; T149-V165 HydrophobicContact CG2-CG2 3.64Å; L163-V165 HydrophobicContact CD2-CG1 4.03Å; L163-V165 HydrophobicContact CG-CG1 4.01Å; V165-V193 HydrophobicContact CG1-CG2 3.83Å; V165-L201 HydrophobicContact CG2-CD1 4.22Å; V165-I203 HydrophobicContact CG2-CD1 4.05Å; V165-F225 HydrophobicContact CB-CB 4.19Å; V165-F225 HydrophobicContact CB-CD1 4.41Å; V165-F225 HydrophobicContact CG2-CB 4.28Å; V165-F225 HydrophobicContact CG2-CD1 3.68Å; V165-F225 HydrophobicContact CG2-CG 4.39Å; V165-W226 CarbonylContact C-O 3.33Å; V165-W226 WeakPolarHBondContact CA-O 3.45Å; V165-W226 WeakPolarHBondContact CB-O 3.34Å
166	T	94.4	Very high	96.3	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	143.8	161.5	57.2	0	0	0	0	108.9	V144 S145 M146 R168 F225 W226 C228	V144-T166 HydrophobicContact CG1-CG2 3.95Å; V144-T166 HydrophobicContact CG2-CG2 4.27Å; S145-T166 WeakPolarHBondContact O-CA 3.49Å; M146-T166 HydrophobicContact CG-CG2 3.98Å; T166-R168 PolarHBondContact OG1-NH1 2.94Å; T166-R168 VanDerWaalsContact OG1-NH1 3.1Å; T166-F225 CarbonylContact O-C 3.53Å; T166-F225 VanDerWaalsContact O-CA 3.24Å; T166-F225 WeakPolarHBondContact O-CA 3.5Å; T166-W226 PolarHBondContact N-O 2.77Å; T166-W226 PolarHBondContact O-N 2.88Å; T166-W226 PolarHBondContact OG1-O 3.04Å; T166-C228 HydrophobicContact CG2-CB 4.02Å
167	M	96.3	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.1	175.1	-174.2	-80.9	-66.6	0	0	110	S145 F147 P169 L206 L217 P223 V224 F225	S145-M167 PolarHBondContact O-N 3.48Å; F147-M167 HydrophobicContact CD2-CB 4.12Å; F147-M167 HydrophobicContact CE2-CB 3.79Å; F147-M167 HydrophobicContact CE2-CE 4.4Å; M167-P169 HydrophobicContact SD-CG 4.13Å; M167-L206 HydrophobicContact CE-CD1 4.34Å; M167-L206 HydrophobicContact CE-CD2 4.21Å; M167-L206 HydrophobicContact CG-CD2 4.41Å; M167-L217 HydrophobicContact CE-CD1 4.46Å; M167-P223 HydrophobicContact CG-CB 4.25Å; M167-P223 HydrophobicContact SD-CB 4.37Å; M167-V224 CarbonylContact C-O 3.59Å; M167-V224 WeakPolarHBondContact CA-O 3.48Å; M167-F225 HydrophobicContact CB-CD1 3.72Å; M167-F225 HydrophobicContact CB-CE1 3.6Å; M167-F225 HydrophobicContact CB-CZ 4.43Å; M167-F225 HydrophobicContact CG-CD1 3.85Å; M167-F225 HydrophobicContact CG-CE1 3.39Å; M167-F225 HydrophobicContact CG-CE2 4.47Å; M167-F225 HydrophobicContact CG-CZ 3.73Å
168	R	95.1	Very high	96.3	Very high	3 Å²	3	28 Å²	28	1%	0.011	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133	167.6	-61	175	177	71.9	2.3	109.5	E125 V144 T166 V224 W226	E125-R168 IonicContact OE1-CZ 2.65Å; E125-R168 IonicContact OE1-NE 2.73Å; E125-R168 PolarHBondContact OE1-NE 3.07Å; E125-R168 IonicContact OE1-NH2 3.14Å; E125-R168 PolarHBondContact OE1-NH2 3.24Å; V144-R168 HydrophobicContact CG2-CG 4.21Å; T166-R168 PolarHBondContact OG1-NH1 2.94Å; T166-R168 VanDerWaalsContact OG1-NH1 3.1Å; R168-V224 PolarHBondContact N-O 2.86Å; R168-V224 PolarHBondContact O-N 3.36Å; R168-W226 HydrophobicContact CB-CZ3 3.86Å; R168-W226 HydrophobicContact CG-CZ3 4.23Å
169	P	97.1	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.6	168.4	-14.9	29.8	0	0	0	110.2	R136 M167 V215 L217 D221	R136-P169 HydrophobicContact CB-CG 4.13Å; R136-P169 HydrophobicContact CG-CB 3.87Å; R136-P169 HydrophobicContact CG-CG 3.91Å; M167-P169 HydrophobicContact SD-CG 4.13Å; P169-V215 HydrophobicContact CG-CG1 3.95Å; P169-L217 HydrophobicContact CB-CB 4.45Å; P169-L217 HydrophobicContact CB-CG 3.89Å; P169-L217 HydrophobicContact CG-CD1 4.26Å; P169-L217 HydrophobicContact CG-CG 3.83Å; P169-D221 HydrophobicContact CB-CB 3.74Å; P169-D221 WeakPolarHBondContact CB-OD2 3.46Å
170	V	97.8	Very high	95.9	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.8	179.1	178.5	0	0	0	0	109.4	V133 A172 L174 L175 A178 D221 V222 V224 W226	V133-V170 HydrophobicContact CG1-CG1 3.86Å; V133-V170 HydrophobicContact CG1-CG2 4.3Å; V170-A172 PolarHBondContact O-N 3Å; V170-L174 HydrophobicContact CG1-CB 4.26Å; V170-L175 HydrophobicContact CB-CD2 4.04Å; V170-L175 HydrophobicContact CG1-CD2 3.93Å; V170-A178 HydrophobicContact CG1-CB 4.05Å; V170-A178 HydrophobicContact CG2-CB 4.44Å; V170-D221 CarbonylContact O-C 3.16Å; V170-D221 WeakPolarHBondContact O-CA 3.33Å; V170-V222 PolarHBondContact N-O 3.13Å; V170-V222 PolarHBondContact O-N 3.03Å; V170-V224 HydrophobicContact CB-CG2 3.66Å; V170-V224 HydrophobicContact CG2-CB 4.03Å; V170-V224 HydrophobicContact CG2-CG2 3.58Å; V170-W226 HydrophobicContact CG2-CH2 4.22Å
171	P	97.7	Very high	95.6	Very high	30 Å²	30	21.4 Å²	21.4	20%	0.195	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	135	173.3	-26.6	34.3	0	0	0	111.6	P134 G173 L174 D221	P134-P171 HydrophobicContact CG-CG 3.72Å; P171-G173 PolarHBondContact O-N 2.86Å; P171-G173 VanDerWaalsContact O-N 3.08Å; P171-L174 HydrophobicContact CB-CB 4.46Å; P171-L174 HydrophobicContact CB-CD1 4.24Å; P171-L174 HydrophobicContact CB-CG 4.37Å; P171-L174 HydrophobicContact CG-CD1 4.1Å; P171-L174 PolarHBondContact O-N 2.77Å; P171-D221 WeakPolarHBondContact CD-OD1 3.44Å; P171-D221 WeakPolarHBondContact CG-OD1 3.37Å
172	A	96.9	Very high	95.2	Very high	44 Å²	44	21.3 Å²	21.3	36%	0.364	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-52.9	-37.5	-175.1	0	0	0	0	0	113.7	V170 L174 L175 G220 V222	V170-A172 PolarHBondContact O-N 3Å; A172-L174 PolarHBondContact O-N 3.45Å; A172-L175 WeakPolarHBondContact O-CG 3.18Å; A172-L175 PolarHBondContact O-N 3.25Å; A172-G220 PolarHBondContact N-O 3.12Å; A172-G220 VanDerWaalsContact N-O 3.08Å; A172-V222 HydrophobicContact CB-CG2 3.99Å
173	G	96.8	Very high	94.7	Very high	79 Å²	79	22 Å²	22	81%	0.814	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-71.5	-6.5	177.7	0	0	0	0	0	115.4	P171	P171-G173 PolarHBondContact O-N 2.86Å; P171-G173 VanDerWaalsContact O-N 3.08Å
174	L	97.2	Very high	93.9	Very high	56 Å²	56	24.4 Å²	24.4	29%	0.293	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-115.2	8	-179.4	-63.7	179.8	0	0	0	112.9	G132 V133 V170 P171 A172 D176 A177 A178	G132-L174 WeakPolarHBondContact O-CD1 3.29Å; V133-L174 HydrophobicContact CG2-CB 4.28Å; V170-L174 HydrophobicContact CG1-CB 4.26Å; P171-L174 HydrophobicContact CB-CB 4.46Å; P171-L174 HydrophobicContact CB-CD1 4.24Å; P171-L174 HydrophobicContact CB-CG 4.37Å; P171-L174 HydrophobicContact CG-CD1 4.1Å; P171-L174 PolarHBondContact O-N 2.77Å; A172-L174 PolarHBondContact O-N 3.45Å; L174-D176 PolarHBondContact O-N 3.49Å; L174-A177 PolarHBondContact O-N 2.8Å; L174-A178 PolarHBondContact O-N 3.49Å
175	L	97	Very high	93	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-42.5	179.5	-71.3	173.4	0	0	0	112.3	V170 A172 A177 A178 V179 V195 V222 V224 C273 Y283	V170-L175 HydrophobicContact CB-CD2 4.04Å; V170-L175 HydrophobicContact CG1-CD2 3.93Å; A172-L175 WeakPolarHBondContact O-CG 3.18Å; A172-L175 PolarHBondContact O-N 3.25Å; L175-A177 PolarHBondContact O-N 2.97Å; L175-A178 PolarHBondContact O-N 2.89Å; L175-V179 VanDerWaalsContact O-CG2 3.26Å; L175-V179 WeakPolarHBondContact O-CG2 3.26Å; L175-V179 PolarHBondContact O-N 3.05Å; L175-V195 HydrophobicContact CD1-CG1 4.26Å; L175-V195 HydrophobicContact CD2-CG1 3.92Å; L175-V222 HydrophobicContact CD1-CB 4.45Å; L175-V222 HydrophobicContact CD1-CG2 4.32Å; L175-V222 HydrophobicContact CD2-CB 4.31Å; L175-V224 HydrophobicContact CD2-CG2 3.55Å; L175-C273 HydrophobicContact CB-CB 4.21Å; L175-Y283 HydrophobicContact CD1-CD1 3.84Å; L175-Y283 HydrophobicContact CD1-CD2 4.37Å; L175-Y283 HydrophobicContact CD1-CE1 3.48Å; L175-Y283 VanDerWaalsContact CD1-CE1 3.48Å; L175-Y283 HydrophobicContact CD1-CE2 4.05Å; L175-Y283 HydrophobicContact CD1-CG 4.29Å
176	D	94.8	Very high	91.8	Very high	75 Å²	75	28.6 Å²	28.6	40%	0.401	18%	0.182	S	C	.	.	H	α-helix	trans	-61.4	-44.9	176.8	-79.4	-27.7	0	0	0	111.8	L174 A178 V179 E180 C273	L174-D176 PolarHBondContact O-N 3.49Å; D176-A178 PolarHBondContact O-N 3.38Å; D176-V179 PolarHBondContact O-N 3.09Å; D176-E180 VanDerWaalsContact O-CB 3.29Å; D176-E180 WeakPolarHBondContact O-CB 3.4Å; D176-E180 PolarHBondContact O-N 2.91Å; D176-C273 WeakPolarHBondContact OD1-CA 3.42Å; D176-C273 WeakPolarHBondContact OD1-CB 3.45Å; D176-C273 PolarHBondContact OD1-N 2.82Å
177	A	94.6	Very high	90.7	Very high	26 Å²	26	36.8 Å²	36.8	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-61.4	-44.9	177.1	0	0	0	0	0	111.3	V133 L174 L175 V179 E180 V181	V133-A177 HydrophobicContact CG2-CB 3.93Å; L174-A177 PolarHBondContact O-N 2.8Å; L175-A177 PolarHBondContact O-N 2.97Å; A177-V179 VanDerWaalsContact C-N 3.34Å; A177-V179 PolarHBondContact O-N 3.2Å; A177-E180 PolarHBondContact O-N 2.82Å; A177-V181 WeakPolarHBondContact O-CG2 3.42Å; A177-V181 PolarHBondContact O-N 3.37Å; A177-V181 VanDerWaalsContact O-N 3.08Å
178	A	94.4	Very high	89.5	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-41.3	177.7	0	0	0	0	0	112.3	L128 V133 V170 L174 L175 D176 T182	L128-A178 HydrophobicContact CD2-CB 3.86Å; V133-A178 HydrophobicContact CG1-CB 4.22Å; V133-A178 HydrophobicContact CG2-CB 4.3Å; V170-A178 HydrophobicContact CG1-CB 4.05Å; V170-A178 HydrophobicContact CG2-CB 4.44Å; L174-A178 PolarHBondContact O-N 3.49Å; L175-A178 PolarHBondContact O-N 2.89Å; D176-A178 PolarHBondContact O-N 3.38Å; A178-T182 WeakPolarHBondContact O-CB 3.17Å; A178-T182 VanDerWaalsContact O-CG2 3.24Å; A178-T182 WeakPolarHBondContact O-CG2 3.46Å; A178-T182 PolarHBondContact O-N 3.39Å; A178-T182 PolarHBondContact O-OG1 2.93Å
179	V	93.5	Very high	88.8	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-67.6	-45.8	176.5	171.8	0	0	0	0	111	L175 D176 A177 V181 T182 H183 P192 P271 C273 L285	L175-V179 VanDerWaalsContact O-CG2 3.26Å; L175-V179 WeakPolarHBondContact O-CG2 3.26Å; L175-V179 PolarHBondContact O-N 3.05Å; D176-V179 PolarHBondContact O-N 3.09Å; A177-V179 VanDerWaalsContact C-N 3.34Å; A177-V179 PolarHBondContact O-N 3.2Å; V179-V181 PolarHBondContact O-N 2.95Å; V179-T182 PolarHBondContact O-N 3.19Å; V179-T182 PolarHBondContact O-OG1 2.92Å; V179-H183 WeakPolarHBondContact O-CB 3.36Å; V179-H183 PolarHBondContact O-N 3.3Å; V179-P192 HydrophobicContact CG2-CG 3.91Å; V179-P271 HydrophobicContact CG1-CB 3.7Å; V179-P271 HydrophobicContact CG1-CG 4.16Å; V179-C273 HydrophobicContact CG2-CB 4.29Å; V179-L285 HydrophobicContact CG1-CD1 4.13Å; V179-L285 HydrophobicContact CG1-CD2 4.17Å; V179-L285 HydrophobicContact CG2-CD1 4.33Å; V179-L285 HydrophobicContact CG2-CD2 3.75Å
180	E	90.3	Very high	88.3	Confident	72 Å²	72	36.8 Å²	36.8	34%	0.336	21%	0.214	S	C	.	.	H	α-helix	trans	-59.7	-48.4	-177.5	177.9	159	-134.8	0	0	111.8	D176 A177 T270 K288	D176-E180 VanDerWaalsContact O-CB 3.29Å; D176-E180 WeakPolarHBondContact O-CB 3.4Å; D176-E180 PolarHBondContact O-N 2.91Å; A177-E180 PolarHBondContact O-N 2.82Å; E180-T270 HydrophobicContact CB-CG2 4.1Å; E180-T270 HydrophobicContact CG-CG2 3.78Å; E180-K288 IonicContact OE1-NZ 3.39Å; E180-K288 PolarHBondContact OE1-NZ 3.28Å
181	V	88.4	Confident	87.9	Confident	23 Å²	23	36.9 Å²	36.9	14%	0.139	22%	0.215	C	C	.	.	H	α-helix	trans	-73.6	-35.3	-178.2	-58.9	0	0	0	0	113.3	R127 L128 A131 A177 V179	R127-V181 HydrophobicContact CB-CB 4.28Å; R127-V181 HydrophobicContact CB-CG2 4.45Å; L128-V181 HydrophobicContact CD2-CG2 3.71Å; L128-V181 HydrophobicContact CG-CG2 4.35Å; A131-V181 HydrophobicContact CB-CG1 3.72Å; A177-V181 WeakPolarHBondContact O-CG2 3.42Å; A177-V181 PolarHBondContact O-N 3.37Å; A177-V181 VanDerWaalsContact O-N 3.08Å; V179-V181 PolarHBondContact O-N 2.95Å
182	T	88.6	Confident	87.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-78.7	-28.9	-179.2	59.2	0	0	0	0	112.4	F124 L128 A178 V179 Q184 N185 G190 W226	F124-T182 HydrophobicContact CB-CG2 4.14Å; F124-T182 HydrophobicContact CD1-CG2 4.25Å; F124-T182 HydrophobicContact CD2-CG2 3.72Å; F124-T182 HydrophobicContact CE2-CG2 4.12Å; F124-T182 HydrophobicContact CG-CG2 3.81Å; L128-T182 HydrophobicContact CD2-CG2 4.07Å; L128-T182 HydrophobicContact CG-CG2 4.4Å; A178-T182 WeakPolarHBondContact O-CB 3.17Å; A178-T182 VanDerWaalsContact O-CG2 3.24Å; A178-T182 WeakPolarHBondContact O-CG2 3.46Å; A178-T182 PolarHBondContact O-N 3.39Å; A178-T182 PolarHBondContact O-OG1 2.93Å; V179-T182 PolarHBondContact O-N 3.19Å; V179-T182 PolarHBondContact O-OG1 2.92Å; T182-Q184 PolarHBondContact O-N 2.72Å; T182-N185 PolarHBondContact O-N 2.79Å; T182-G190 CarbonylContact O-C 3.55Å; T182-G190 VanDerWaalsContact O-CA 3.31Å; T182-G190 WeakPolarHBondContact O-CA 3.38Å; T182-W226 HydrophobicContact CG2-CZ2 3.95Å; T182-W226 PolarHBondContact OG1-NE1 2.95Å
183	H	86.6	Confident	87.8	Confident	41 Å²	41	33.4 Å²	33.4	19%	0.19	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-34.4	175.4	176.6	70.5	0	0	0	113.1	V179 N185 A191 P271	V179-H183 WeakPolarHBondContact O-CB 3.36Å; V179-H183 PolarHBondContact O-N 3.3Å; H183-N185 PolarHBondContact O-N 3.5Å; H183-N185 VanDerWaalsContact O-N 3.08Å; H183-A191 HydrophobicContact CB-CB 4.04Å; H183-P271 HydrophobicContact CB-CG 4.15Å; H183-P271 VanDerWaalsContact CD2-CD 3.5Å; H183-P271 WeakPolarHBondContact CD2-CD 3.39Å
184	Q	82.2	Confident	87.9	Confident	50 Å²	50	29.6 Å²	29.6	23%	0.234	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-4.3	-177	-65.1	175.1	2.7	0	0	114.3	T182 P186 P261 S262	T182-Q184 PolarHBondContact O-N 2.72Å; Q184-P186 VanDerWaalsContact C-CD 3.43Å; Q184-P186 WeakPolarHBondContact O-CD 3.32Å; Q184-P261 HydrophobicContact CB-CB 4.25Å; Q184-S262 WeakPolarHBondContact O-CB 3.21Å; Q184-S262 PolarHBondContact O-N 3.44Å
185	N	76.9	Confident	88	Confident	11 Å²	11	27 Å²	27	6%	0.059	14%	0.135	C	C	.	.			trans	-122.7	64.2	180	-151.7	-13	0	0	0	113	R127 T182 H183 R187 A188 G190 D259	R127-N185 PolarHBondContact NH1-ND2 2.7Å; T182-N185 PolarHBondContact O-N 2.79Å; H183-N185 PolarHBondContact O-N 3.5Å; H183-N185 VanDerWaalsContact O-N 3.08Å; N185-R187 PolarHBondContact O-N 3.19Å; N185-A188 HydrophobicContact CB-CB 4.11Å; N185-A188 VanDerWaalsContact CG-CB 3.41Å; N185-A188 CarbonylContact O-C 3.48Å; N185-A188 WeakPolarHBondContact O-CA 3.42Å; N185-A188 PolarHBondContact O-N 3.26Å; N185-A188 WeakPolarHBondContact OD1-CB 3.45Å; N185-G190 VanDerWaalsContact O-CA 3.3Å; N185-G190 WeakPolarHBondContact O-CA 3.29Å; N185-G190 PolarHBondContact O-N 2.77Å; N185-D259 PolarHBondContact ND2-OD1 3.44Å
186	P	72.3	Confident	88	Confident	77 Å²	77	26.7 Å²	26.7	50%	0.5	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-63.6	-26.1	-178.2	26.7	-34.9	0	0	0	113.1	Q184 A188	Q184-P186 VanDerWaalsContact C-CD 3.43Å; Q184-P186 WeakPolarHBondContact O-CD 3.32Å; P186-A188 PolarHBondContact O-N 2.73Å
187	R	71.4	Confident	88.1	Confident	174 Å²	174	25.4 Å²	25.4	66%	0.657	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	-75.6	-1.4	173.1	-68.6	-172.7	175.6	178.5	-1.5	113.3	L56 G119 N185	L56-R187 HydrophobicContact CD2-CB 4.15Å; G119-R187 WeakPolarHBondContact CA-O 3.32Å; N185-R187 PolarHBondContact O-N 3.19Å
188	A	70.1	Confident	88.3	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.008	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-128.3	52	173.7	0	0	0	0	0	109.8	C120 N185 P186 G190	C120-A188 VanDerWaalsContact O-CB 3.23Å; C120-A188 WeakPolarHBondContact O-CB 3.49Å; N185-A188 HydrophobicContact CB-CB 4.11Å; N185-A188 VanDerWaalsContact CG-CB 3.41Å; N185-A188 CarbonylContact O-C 3.48Å; N185-A188 WeakPolarHBondContact O-CA 3.42Å; N185-A188 PolarHBondContact O-N 3.26Å; N185-A188 WeakPolarHBondContact OD1-CB 3.45Å; P186-A188 PolarHBondContact O-N 2.73Å; A188-G190 PolarHBondContact O-N 2.9Å
189	H	81.1	Confident	88.4	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.009	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	-34	-176.1	-43.9	-68.3	0	0	0	115.6	A51 S121 A227 G229 R540	A51-H189 WeakPolarHBondContact O-CA 3.36Å; A51-H189 WeakPolarHBondContact O-CB 3.31Å; A51-H189 PolarHBondContact O-ND1 3.07Å; S121-H189 WeakPolarHBondContact CB-CD2 3.26Å; S121-H189 PolarHBondContact N-CD2 2.94Å; S121-H189 PolarHBondContact N-NE2 3.08Å; S121-H189 PolarHBondContact OG-CD2 3.12Å; S121-H189 VanDerWaalsContact OG-CD2 3.27Å; S121-H189 PolarHBondContact OG-NE2 3.08Å; H189-A227 HydrophobicContact CB-CB 4.33Å; H189-A227 WeakPolarHBondContact CB-O 3.18Å; H189-A227 PolarHBondContact CD2-O 3.35Å; H189-A227 PolarHBondContact ND1-O 3.06Å; H189-G229 PolarHBondContact CE1-N 3.24Å; H189-R540 PolarHBondContact O-NH2 2.9Å
190	G	85.5	Confident	88.5	Confident	1 Å²	1	31 Å²	31	1%	0.01	16%	0.162	C	C	.	.			trans	81.7	-149.7	175.1	0	0	0	0	0	114.3	T182 N185 A188	T182-G190 CarbonylContact O-C 3.55Å; T182-G190 VanDerWaalsContact O-CA 3.31Å; T182-G190 WeakPolarHBondContact O-CA 3.38Å; N185-G190 VanDerWaalsContact O-CA 3.3Å; N185-G190 WeakPolarHBondContact O-CA 3.29Å; N185-G190 PolarHBondContact O-N 2.77Å; A188-G190 PolarHBondContact O-N 2.9Å
191	A	90.8	Very high	88.9	Confident	4 Å²	4	27.7 Å²	27.7	3%	0.033	15%	0.146	C	C	.	.	S	Bend	trans	-58.7	157.2	-179.3	0	0	0	0	0	112.8	H183 L285 R540	H183-A191 HydrophobicContact CB-CB 4.04Å; A191-L285 HydrophobicContact CB-CD1 4.47Å; A191-R540 VanDerWaalsContact O-CZ 3.31Å; A191-R540 PolarHBondContact O-NH1 2.64Å; A191-R540 PolarHBondContact O-NH2 3.01Å
192	P	95.4	Very high	89.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.			trans	-50.6	148.9	176.4	-25	32.8	0	0	0	112.6	V179 V195 V224 F225 W226 R540	V179-P192 HydrophobicContact CG2-CG 3.91Å; P192-V195 HydrophobicContact CB-CG2 3.96Å; P192-V195 HydrophobicContact CG-CG2 4.47Å; P192-V224 HydrophobicContact CB-CG1 3.8Å; P192-V224 HydrophobicContact CG-CG1 3.72Å; P192-F225 CarbonylContact C-O 3.55Å; P192-F225 WeakPolarHBondContact CA-O 3.42Å; P192-W226 HydrophobicContact CG-CD2 4.43Å; P192-W226 HydrophobicContact CG-CZ2 3.76Å; P192-R540 PolarHBondContact O-NH1 2.79Å
193	V	96.4	Very high	89.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-98.1	-17.5	174.7	-61.9	0	0	0	0	112	V165 F225 A227 R544	V165-V193 HydrophobicContact CG1-CG2 3.83Å; V193-F225 HydrophobicContact CG2-CB 4.46Å; V193-F225 WeakPolarHBondContact CG2-O 3.13Å; V193-F225 PolarHBondContact N-O 2.92Å; V193-A227 HydrophobicContact CG1-CB 4.05Å; V193-R544 HydrophobicContact CB-CB 4.34Å; V193-R544 VanDerWaalsContact CG1-O 3.23Å; V193-R544 WeakPolarHBondContact CG1-O 3.19Å; V193-R544 WeakPolarHBondContact O-CD 3.29Å; V193-R544 PolarHBondContact O-NH1 3.32Å
194	H	98.4	Very high	90.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	148.1	173.1	-175.7	61.3	0	0	0	111	D197 L201 F225 R544	H194-D197 PolarHBondContact NE2-O 3.24Å; H194-L201 HydrophobicContact CB-CD1 3.76Å; H194-L201 HydrophobicContact CB-CD2 4.07Å; H194-L201 HydrophobicContact CB-CG 4.06Å; H194-F225 HydrophobicContact CB-CB 4.15Å; H194-F225 HydrophobicContact CB-CD2 4.11Å; H194-F225 HydrophobicContact CB-CG 4.48Å; H194-F225 AromaticContact CD2-CD2 3.52Å; H194-F225 AromaticContact CD2-CE2 3.73Å; H194-F225 PolarHBondContact N-O 2.99Å; H194-F225 PolarHBondContact O-N 3.3Å; H194-R544 PolarHBondContact ND1-NH1 2.84Å
195	V	98.6	Very high	90.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	117.4	178.6	-176.2	0	0	0	0	107.7	L175 P192 V222 V224 Y283 Y541	L175-V195 HydrophobicContact CD1-CG1 4.26Å; L175-V195 HydrophobicContact CD2-CG1 3.92Å; P192-V195 HydrophobicContact CB-CG2 3.96Å; P192-V195 HydrophobicContact CG-CG2 4.47Å; V195-V222 HydrophobicContact CG1-CG1 4.07Å; V195-V224 HydrophobicContact CG1-CG2 4.26Å; V195-V224 HydrophobicContact CG2-CG1 4.15Å; V195-Y283 HydrophobicContact CG1-CD2 3.81Å; V195-Y283 HydrophobicContact CG1-CG 3.88Å; V195-Y283 PolarHBondContact O-N 3.09Å; V195-Y541 HydrophobicContact CG2-CE2 4.24Å; V195-Y541 PolarHBondContact N-OH 3.39Å
196	G	98.1	Very high	91.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	123.4	-138.7	-177.6	0	0	0	0	0	113.7	P223 L281	G196-P223 PolarHBondContact N-O 2.98Å; G196-L281 CarbonylContact C-O 3.59Å; G196-L281 WeakPolarHBondContact CA-O 3.45Å
197	D	97.6	Very high	92.9	Very high	48 Å²	48	37.2 Å²	37.2	26%	0.257	21%	0.207	S	C	.	.			trans	-67.7	117.9	-168.3	-169.6	-29.5	0	0	0	112.9	H194 A199 L200 P280 L281	H194-D197 PolarHBondContact NE2-O 3.24Å; D197-A199 PolarHBondContact O-N 3.47Å; D197-A199 VanDerWaalsContact O-N 3.12Å; D197-A199 VanDerWaalsContact OD1-CB 3.25Å; D197-A199 WeakPolarHBondContact OD1-CB 3.39Å; D197-A199 PolarHBondContact OD1-N 3.29Å; D197-L200 HydrophobicContact CB-CD1 4.36Å; D197-L200 HydrophobicContact CB-CG 4.38Å; D197-L200 WeakPolarHBondContact O-CB 3.3Å; D197-L200 PolarHBondContact O-N 3.13Å; D197-L200 VanDerWaalsContact O-N 3.13Å; D197-P280 HydrophobicContact CB-CB 3.78Å; D197-P280 WeakPolarHBondContact OD2-CB 3.44Å; D197-L281 WeakPolarHBondContact CB-O 3.31Å; D197-L281 PolarHBondContact N-O 3.49Å
198	P	97.8	Very high	94.1	Very high	22 Å²	22	38 Å²	38	14%	0.143	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-57.4	-26.9	179.1	23.6	-34.2	0	0	0	114.4	L200 L201 G202 I203 L206 F225	P198-L200 PolarHBondContact O-N 3.09Å; P198-L201 WeakPolarHBondContact O-CA 3.46Å; P198-L201 WeakPolarHBondContact O-CB 3.34Å; P198-L201 PolarHBondContact O-N 3.26Å; P198-G202 PolarHBondContact O-N 2.84Å; P198-I203 CarbonylContact C-O 3.55Å; P198-I203 VanDerWaalsContact C-O 3.26Å; P198-I203 HydrophobicContact CB-CB 3.83Å; P198-I203 HydrophobicContact CB-CG2 4.04Å; P198-I203 WeakPolarHBondContact CB-O 3.31Å; P198-I203 PolarHBondContact O-N 2.92Å; P198-L206 HydrophobicContact CB-CD2 3.92Å; P198-L206 HydrophobicContact CB-CG 4.32Å; P198-L206 HydrophobicContact CG-CD1 4.18Å; P198-L206 HydrophobicContact CG-CD2 4.25Å; P198-L206 HydrophobicContact CG-CG 4.1Å; P198-F225 HydrophobicContact CB-CZ 3.88Å
199	A	96.6	Very high	95.4	Very high	52 Å²	52	39.2 Å²	39.2	43%	0.43	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-63.5	-26.5	-179.6	0	0	0	0	0	112.2	D197 L201 G202 I203	D197-A199 PolarHBondContact O-N 3.47Å; D197-A199 VanDerWaalsContact O-N 3.12Å; D197-A199 VanDerWaalsContact OD1-CB 3.25Å; D197-A199 WeakPolarHBondContact OD1-CB 3.39Å; D197-A199 PolarHBondContact OD1-N 3.29Å; A199-L201 PolarHBondContact O-N 3Å; A199-G202 PolarHBondContact O-N 3.5Å; A199-I203 PolarHBondContact N-O 3.26Å
200	L	95.8	Very high	96	Very high	73 Å²	73	42.1 Å²	42.1	38%	0.382	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-67.9	-15	173.8	-65.2	176.5	0	0	0	113.2	D197 P198 P280 L282	D197-L200 HydrophobicContact CB-CD1 4.36Å; D197-L200 HydrophobicContact CB-CG 4.38Å; D197-L200 WeakPolarHBondContact O-CB 3.3Å; D197-L200 PolarHBondContact O-N 3.13Å; D197-L200 VanDerWaalsContact O-N 3.13Å; P198-L200 PolarHBondContact O-N 3.09Å; L200-P280 HydrophobicContact CD1-CB 4.46Å; L200-P280 HydrophobicContact CD1-CG 4.08Å; L200-P280 HydrophobicContact CD2-CG 4.04Å; L200-P280 HydrophobicContact CG-CG 4.27Å; L200-L282 HydrophobicContact CD1-CB 4.25Å; L200-L282 HydrophobicContact CD1-CD1 3.95Å; L200-L282 HydrophobicContact CD1-CG 4.48Å
201	L	97.7	Very high	96.1	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-101.9	3.2	168.6	-66.7	-179.2	0	0	0	112.8	T149 A150 V151 V165 H194 P198 A199 I203 F225	T149-L201 CarbonylContact C-O 3.56Å; T149-L201 VanDerWaalsContact CA-O 3.3Å; T149-L201 WeakPolarHBondContact CA-O 3.21Å; T149-L201 VanDerWaalsContact CB-O 3.29Å; T149-L201 WeakPolarHBondContact CB-O 3.49Å; T149-L201 HydrophobicContact CG2-CB 4.03Å; T149-L201 HydrophobicContact CG2-CD1 4.24Å; A150-L201 PolarHBondContact N-O 3.05Å; V151-L201 HydrophobicContact CG2-CD2 3.98Å; V165-L201 HydrophobicContact CG2-CD1 4.22Å; H194-L201 HydrophobicContact CB-CD1 3.76Å; H194-L201 HydrophobicContact CB-CD2 4.07Å; H194-L201 HydrophobicContact CB-CG 4.06Å; P198-L201 WeakPolarHBondContact O-CA 3.46Å; P198-L201 WeakPolarHBondContact O-CB 3.34Å; P198-L201 PolarHBondContact O-N 3.26Å; A199-L201 PolarHBondContact O-N 3Å; L201-I203 VanDerWaalsContact C-N 3.33Å; L201-I203 HydrophobicContact CB-CD1 4Å; L201-I203 HydrophobicContact CB-CG1 4.21Å; L201-I203 HydrophobicContact CD1-CD1 4.21Å; L201-F225 HydrophobicContact CD1-CB 3.98Å; L201-F225 HydrophobicContact CD1-CD1 3.92Å; L201-F225 HydrophobicContact CD1-CD2 4Å; L201-F225 HydrophobicContact CD1-CE1 4.42Å; L201-F225 HydrophobicContact CD1-CE2 4.49Å; L201-F225 HydrophobicContact CD1-CG 3.69Å
202	G	97.1	Very high	96	Very high	39 Å²	39	46.2 Å²	46.2	40%	0.402	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	15.7	-173.7	0	0	0	0	0	114.3	P198 A199	P198-G202 PolarHBondContact O-N 2.84Å; A199-G202 PolarHBondContact O-N 3.5Å
203	I	97.9	Very high	95.8	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.046	28%	0.275	C	S	.	.			trans	-93.2	113.2	178	-57.8	164.4	0	0	0	108.1	F147 T149 V165 P198 A199 L201 L206 F225	F147-I203 HydrophobicContact CB-CD1 3.47Å; F147-I203 VanDerWaalsContact CB-CD1 3.47Å; F147-I203 HydrophobicContact CB-CG1 3.84Å; F147-I203 HydrophobicContact CB-CG2 4.47Å; F147-I203 HydrophobicContact CD1-CG2 3.63Å; F147-I203 HydrophobicContact CD2-CD1 4.27Å; F147-I203 HydrophobicContact CE1-CG2 3.99Å; F147-I203 HydrophobicContact CG-CD1 3.87Å; F147-I203 HydrophobicContact CG-CG1 4.29Å; F147-I203 HydrophobicContact CG-CG2 4.04Å; T149-I203 HydrophobicContact CG2-CD1 4.34Å; V165-I203 HydrophobicContact CG2-CD1 4.05Å; P198-I203 CarbonylContact C-O 3.55Å; P198-I203 VanDerWaalsContact C-O 3.26Å; P198-I203 HydrophobicContact CB-CB 3.83Å; P198-I203 HydrophobicContact CB-CG2 4.04Å; P198-I203 WeakPolarHBondContact CB-O 3.31Å; P198-I203 PolarHBondContact O-N 2.92Å; A199-I203 PolarHBondContact N-O 3.26Å; L201-I203 VanDerWaalsContact C-N 3.33Å; L201-I203 HydrophobicContact CB-CD1 4Å; L201-I203 HydrophobicContact CB-CG1 4.21Å; L201-I203 HydrophobicContact CD1-CD1 4.21Å; I203-L206 HydrophobicContact CG2-CD2 3.99Å; I203-F225 HydrophobicContact CD1-CD1 4.22Å; I203-F225 HydrophobicContact CD1-CE1 3.76Å
204	L	95.2	Very high	95.7	Very high	162 Å²	162	51.6 Å²	51.6	85%	0.848	29%	0.291	S	S	*	.			trans	-94.1	-21.5	-173.8	-58.1	179.9	0	0	0	113.9
205	D	96.3	Very high	95.5	Very high	65 Å²	65	51.9 Å²	51.9	35%	0.348	29%	0.293	S	S	.	.			trans	-146.9	107.3	-175	-176.8	-1.2	0	0	0	111	T207 R208	D205-T207 VanDerWaalsContact CG-OG1 3.27Å; D205-T207 PolarHBondContact O-N 3.23Å; D205-T207 WeakPolarHBondContact OD1-CB 3.42Å; D205-T207 PolarHBondContact OD1-N 3.27Å; D205-T207 PolarHBondContact OD1-OG1 2.91Å; D205-T207 PolarHBondContact OD2-OG1 3.32Å; D205-R208 PolarHBondContact O-N 2.8Å; D205-R208 WeakPolarHBondContact OD2-CD 3.25Å; D205-R208 WeakPolarHBondContact OD2-CG 3.44Å
206	L	96.7	Very high	95.4	Very high	30 Å²	30	57.6 Å²	57.6	16%	0.157	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.8	178.3	-68.2	-179.5	0	0	0	113.4	F147 M167 P198 I203 R208 L217 P223 F225	F147-L206 HydrophobicContact CE1-CD2 4.33Å; F147-L206 HydrophobicContact CE2-CD2 4.03Å; F147-L206 HydrophobicContact CZ-CB 4.43Å; F147-L206 HydrophobicContact CZ-CD2 3.82Å; F147-L206 WeakPolarHBondContact CZ-O 3.47Å; M167-L206 HydrophobicContact CE-CD1 4.34Å; M167-L206 HydrophobicContact CE-CD2 4.21Å; M167-L206 HydrophobicContact CG-CD2 4.41Å; P198-L206 HydrophobicContact CB-CD2 3.92Å; P198-L206 HydrophobicContact CB-CG 4.32Å; P198-L206 HydrophobicContact CG-CD1 4.18Å; P198-L206 HydrophobicContact CG-CD2 4.25Å; P198-L206 HydrophobicContact CG-CG 4.1Å; I203-L206 HydrophobicContact CG2-CD2 3.99Å; L206-R208 PolarHBondContact O-N 3.24Å; L206-L217 HydrophobicContact CD1-CD1 4.26Å; L206-P223 HydrophobicContact CD1-CB 4.39Å; L206-P223 HydrophobicContact CD1-CG 4.14Å; L206-F225 HydrophobicContact CD2-CE1 4.35Å; L206-F225 HydrophobicContact CD2-CZ 4.29Å
207	T	96.6	Very high	95.3	Very high	97 Å²	97	60.9 Å²	60.9	60%	0.595	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.5	178.9	74	0	0	0	0	113	D205 P209 P214	D205-T207 VanDerWaalsContact CG-OG1 3.27Å; D205-T207 PolarHBondContact O-N 3.23Å; D205-T207 WeakPolarHBondContact OD1-CB 3.42Å; D205-T207 PolarHBondContact OD1-N 3.27Å; D205-T207 PolarHBondContact OD1-OG1 2.91Å; D205-T207 PolarHBondContact OD2-OG1 3.32Å; T207-P209 VanDerWaalsContact C-CD 3.49Å; T207-P209 WeakPolarHBondContact O-CD 3.4Å; T207-P214 WeakPolarHBondContact O-CB 3.25Å
208	R	96.8	Very high	95.2	Very high	191 Å²	191	64.7 Å²	64.7	72%	0.721	35%	0.347	S	S	*	.	S	Bend	trans	-125.7	68.7	-176.3	-65.3	-179	62.8	172.7	-1.6	111.5	D205 L206	D205-R208 PolarHBondContact O-N 2.8Å; D205-R208 WeakPolarHBondContact OD2-CD 3.25Å; D205-R208 WeakPolarHBondContact OD2-CG 3.44Å; L206-R208 PolarHBondContact O-N 3.24Å
209	P	96.1	Very high	95.1	Very high	26 Å²	26	70.2 Å²	70.2	17%	0.169	38%	0.383	C	S	.	.			trans	-63.7	148.2	175.1	29.8	-35.5	0	0	0	111.6	M146 F147 T207 Y211 P214	M146-P209 WeakPolarHBondContact O-CB 3.19Å; F147-P209 HydrophobicContact CD1-CB 4.42Å; F147-P209 VanDerWaalsContact CE1-CA 3.45Å; F147-P209 HydrophobicContact CE1-CB 3.93Å; F147-P209 HydrophobicContact CE2-CB 4.44Å; F147-P209 HydrophobicContact CZ-CB 3.93Å; T207-P209 VanDerWaalsContact C-CD 3.49Å; T207-P209 WeakPolarHBondContact O-CD 3.4Å; P209-Y211 VanDerWaalsContact C-N 3.31Å; P209-Y211 WeakPolarHBondContact CB-O 3.45Å; P209-P214 HydrophobicContact CG-CB 4.46Å
210	D	94.3	Very high	95.1	Very high	63 Å²	63	70.4 Å²	70.4	34%	0.337	39%	0.391	S	S	.	.	S	Bend	trans	-70.4	-32.5	173.1	-68.1	-83.4	0	0	0	111.5	M146 F147 R148	M146-D210 PolarHBondContact O-N 3.3Å; F147-D210 WeakPolarHBondContact CA-OD2 3.48Å; R148-D210 WeakPolarHBondContact CB-OD2 3.5Å; R148-D210 HydrophobicContact CG-CB 4.33Å; R148-D210 IonicContact CZ-OD1 3.88Å; R148-D210 VanDerWaalsContact CZ-OD1 3.26Å; R148-D210 PolarHBondContact N-OD2 2.91Å; R148-D210 IonicContact NE-OD1 2.66Å; R148-D210 PolarHBondContact NE-OD1 2.83Å; R148-D210 IonicContact NE-OD2 3.33Å; R148-D210 IonicContact NH2-OD1 3.94Å; R148-D210 PolarHBondContact NH2-OD1 2.89Å
211	Y	88.8	Confident	95.2	Very high	53 Å²	53	67.9 Å²	67.9	21%	0.208	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-140.3	151.7	175.4	-48.5	-93.4	0	0	0	111.5	M146 P209 V230 E234	M146-Y211 PolarHBondContact N-O 3.12Å; M146-Y211 PolarHBondContact O-N 3.29Å; P209-Y211 VanDerWaalsContact C-N 3.31Å; P209-Y211 WeakPolarHBondContact CB-O 3.45Å; Y211-V230 HydrophobicContact CD1-CG1 4.38Å; Y211-V230 HydrophobicContact CD2-CG1 3.74Å; Y211-V230 HydrophobicContact CE1-CG1 4.31Å; Y211-V230 HydrophobicContact CE2-CG1 3.66Å; Y211-V230 HydrophobicContact CG-CG1 4.11Å; Y211-E234 PolarHBondContact OH-OE1 3.04Å
212	G	88.8	Confident	95.2	Very high	38 Å²	38	68.1 Å²	68.1	39%	0.392	38%	0.379	S	S	.	.	S	Bend	trans	80.2	-157.3	-177.7	0	0	0	0	0	112.3
213	D	90.3	Very high	95.2	Very high	62 Å²	62	66.9 Å²	66.9	33%	0.332	36%	0.364	S	S	.	.			trans	-113.8	149.9	-175.7	-59.4	-54.9	0	0	0	110	R142 N143 S145	R142-D213 HydrophobicContact CB-CB 3.92Å; R142-D213 HydrophobicContact CG-CB 4.28Å; N143-D213 VanDerWaalsContact CB-OD2 3.32Å; N143-D213 WeakPolarHBondContact CB-OD2 3.32Å; N143-D213 PolarHBondContact N-OD2 3.08Å; N143-D213 PolarHBondContact ND2-OD2 3.17Å; N143-D213 PolarHBondContact O-N 3.31Å; S145-D213 WeakPolarHBondContact CA-O 3.3Å; S145-D213 WeakPolarHBondContact CB-O 3.39Å; S145-D213 PolarHBondContact OG-O 2.81Å
214	P	95.3	Very high	95.3	Very high	51 Å²	51	66.5 Å²	66.5	33%	0.331	36%	0.362	S	S	.	.			trans	-66.4	138.9	173.7	26.4	-33.2	0	0	0	110.6	R142 T207 P209	R142-P214 WeakPolarHBondContact CD-O 3.5Å; R142-P214 PolarHBondContact NH1-O 3.2Å; T207-P214 WeakPolarHBondContact O-CB 3.25Å; P209-P214 HydrophobicContact CG-CB 4.46Å
215	V	94.3	Very high	95.4	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.042	32%	0.322	C	S	.	.			trans	-115	129.4	-180	176	0	0	0	0	109.8	R136 N137 S145 P169	R136-V215 HydrophobicContact CB-CG1 3.68Å; N137-V215 HydrophobicContact CB-CG2 3.72Å; S145-V215 WeakPolarHBondContact OG-CG2 3.35Å; S145-V215 PolarHBondContact OG-N 2.82Å; P169-V215 HydrophobicContact CG-CG1 3.95Å
216	E	95.2	Very high	95.4	Very high	120 Å²	120	55.7 Å²	55.7	56%	0.561	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-79.6	133.4	179.4	-71.9	163.5	-140	0	0	111.4	Q140 R142	Q140-E216 PolarHBondContact NE2-O 3.16Å; Q140-E216 VanDerWaalsContact OE1-N 3.1Å; R142-E216 IonicContact CZ-OE1 2.91Å; R142-E216 IonicContact NH1-OE1 2.62Å; R142-E216 PolarHBondContact NH1-OE1 3.31Å; R142-E216 IonicContact NH2-OE1 2.66Å; R142-E216 PolarHBondContact NH2-OE1 3.01Å
217	L	95.9	Very high	95.2	Very high	69 Å²	69	54.3 Å²	54.3	36%	0.361	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-84.5	149.2	174.5	-70.8	78.3	0	0	0	110.4	M167 P169 L206 D221 P223	M167-L217 HydrophobicContact CE-CD1 4.46Å; P169-L217 HydrophobicContact CB-CB 4.45Å; P169-L217 HydrophobicContact CB-CG 3.89Å; P169-L217 HydrophobicContact CG-CD1 4.26Å; P169-L217 HydrophobicContact CG-CG 3.83Å; L206-L217 HydrophobicContact CD1-CD1 4.26Å; L217-D221 HydrophobicContact CB-CB 4.44Å; L217-P223 HydrophobicContact CD2-CG 4.02Å
218	R	96.1	Very high	94.9	Very high	129 Å²	129	50 Å²	50	49%	0.487	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-97.4	157.8	166.9	-62.1	-169.6	-176.2	158.5	12.6	111.2	R136 E139 G220 D221	R136-R218 VanDerWaalsContact NH1-NH1 3.14Å; E139-R218 IonicContact OE2-CZ 2.84Å; E139-R218 IonicContact OE2-NH1 3.25Å; E139-R218 IonicContact OE2-NH2 3.52Å; E139-R218 PolarHBondContact OE2-NH2 3.31Å; R218-G220 PolarHBondContact O-N 2.86Å; R218-D221 WeakPolarHBondContact CB-OD2 3.18Å; R218-D221 PolarHBondContact N-OD2 3.34Å; R218-D221 VanDerWaalsContact O-CB 3.3Å; R218-D221 WeakPolarHBondContact O-CB 3.45Å; R218-D221 PolarHBondContact O-N 2.94Å
219	P	96.1	Very high	94.5	Very high	137 Å²	137	41 Å²	41	89%	0.89	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	128.3	171.1	-26.3	35.2	0	0	0	111.6	D221	P219-D221 VanDerWaalsContact C-N 3.35Å
220	G	95.6	Very high	94.2	Very high	57 Å²	57	40 Å²	40	59%	0.588	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-5.3	-177.2	0	0	0	0	0	115.5	A172 R218	A172-G220 PolarHBondContact N-O 3.12Å; A172-G220 VanDerWaalsContact N-O 3.08Å; R218-G220 PolarHBondContact O-N 2.86Å
221	D	97.5	Very high	94.3	Very high	19 Å²	19	37 Å²	37	10%	0.102	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.2	167.9	-69.6	-16.2	0	0	0	110	R136 P169 V170 P171 L217 R218 P219	R136-D221 IonicContact CZ-OD1 2.79Å; R136-D221 IonicContact CZ-OD2 3.19Å; R136-D221 IonicContact NE-OD1 3.98Å; R136-D221 IonicContact NE-OD2 3.24Å; R136-D221 PolarHBondContact NE-OD2 3.39Å; R136-D221 IonicContact NH2-OD1 2.86Å; R136-D221 PolarHBondContact NH2-OD1 3.23Å; R136-D221 IonicContact NH2-OD2 2.87Å; P169-D221 HydrophobicContact CB-CB 3.74Å; P169-D221 WeakPolarHBondContact CB-OD2 3.46Å; V170-D221 CarbonylContact O-C 3.16Å; V170-D221 WeakPolarHBondContact O-CA 3.33Å; P171-D221 WeakPolarHBondContact CD-OD1 3.44Å; P171-D221 WeakPolarHBondContact CG-OD1 3.37Å; L217-D221 HydrophobicContact CB-CB 4.44Å; R218-D221 WeakPolarHBondContact CB-OD2 3.18Å; R218-D221 PolarHBondContact N-OD2 3.34Å; R218-D221 VanDerWaalsContact O-CB 3.3Å; R218-D221 WeakPolarHBondContact O-CB 3.45Å; R218-D221 PolarHBondContact O-N 2.94Å; P219-D221 VanDerWaalsContact C-N 3.35Å
222	V	98.3	Very high	94.6	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.5	172.5	177.4	0	0	0	0	108.2	V170 A172 L175 V195 V224 L281 Y283	V170-V222 PolarHBondContact N-O 3.13Å; V170-V222 PolarHBondContact O-N 3.03Å; A172-V222 HydrophobicContact CB-CG2 3.99Å; L175-V222 HydrophobicContact CD1-CB 4.45Å; L175-V222 HydrophobicContact CD1-CG2 4.32Å; L175-V222 HydrophobicContact CD2-CB 4.31Å; V195-V222 HydrophobicContact CG1-CG1 4.07Å; V222-V224 PolarHBondContact O-N 3Å; V222-L281 HydrophobicContact CG1-CD2 4Å; V222-L281 HydrophobicContact CG2-CD2 4.28Å; V222-Y283 HydrophobicContact CG1-CD2 4.34Å; V222-Y283 HydrophobicContact CG1-CE2 4Å; V222-Y283 HydrophobicContact CG2-CE2 4.24Å
223	P	98.1	Very high	94.8	Very high	14 Å²	14	33 Å²	33	9%	0.091	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	124.4	171.8	-14.1	25.8	0	0	0	111.1	M167 G196 L206 L217 F225	M167-P223 HydrophobicContact CG-CB 4.25Å; M167-P223 HydrophobicContact SD-CB 4.37Å; G196-P223 PolarHBondContact N-O 2.98Å; L206-P223 HydrophobicContact CD1-CB 4.39Å; L206-P223 HydrophobicContact CD1-CG 4.14Å; L217-P223 HydrophobicContact CD2-CG 4.02Å; P223-F225 HydrophobicContact CB-CE2 3.65Å; P223-F225 HydrophobicContact CB-CZ 3.77Å
224	V	98.3	Very high	95	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.6	177.3	-171.6	0	0	0	0	109.6	M167 R168 V170 L175 P192 V195 V222 W226	M167-V224 CarbonylContact C-O 3.59Å; M167-V224 WeakPolarHBondContact CA-O 3.48Å; R168-V224 PolarHBondContact N-O 2.86Å; R168-V224 PolarHBondContact O-N 3.36Å; V170-V224 HydrophobicContact CB-CG2 3.66Å; V170-V224 HydrophobicContact CG2-CB 4.03Å; V170-V224 HydrophobicContact CG2-CG2 3.58Å; L175-V224 HydrophobicContact CD2-CG2 3.55Å; P192-V224 HydrophobicContact CB-CG1 3.8Å; P192-V224 HydrophobicContact CG-CG1 3.72Å; V195-V224 HydrophobicContact CG1-CG2 4.26Å; V195-V224 HydrophobicContact CG2-CG1 4.15Å; V222-V224 PolarHBondContact O-N 3Å; V224-W226 HydrophobicContact CB-CE3 4.37Å; V224-W226 HydrophobicContact CB-CH2 3.59Å; V224-W226 HydrophobicContact CB-CZ3 3.48Å; V224-W226 VanDerWaalsContact CB-CZ3 3.48Å; V224-W226 HydrophobicContact CG1-CD2 4.42Å; V224-W226 HydrophobicContact CG1-CE3 3.99Å; V224-W226 HydrophobicContact CG1-CH2 3.18Å; V224-W226 HydrophobicContact CG1-CZ2 3.67Å; V224-W226 HydrophobicContact CG1-CZ3 3.35Å; V224-W226 VanDerWaalsContact O-CZ3 3.28Å; V224-W226 WeakPolarHBondContact O-CZ3 3.44Å
225	F	97.6	Very high	95.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.2	-172.5	-55.6	-95.3	0	0	0	111.9	V165 T166 M167 P192 V193 H194 P198 L201 I203 L206 P223	V165-F225 HydrophobicContact CB-CB 4.19Å; V165-F225 HydrophobicContact CB-CD1 4.41Å; V165-F225 HydrophobicContact CG2-CB 4.28Å; V165-F225 HydrophobicContact CG2-CD1 3.68Å; V165-F225 HydrophobicContact CG2-CG 4.39Å; T166-F225 CarbonylContact O-C 3.53Å; T166-F225 VanDerWaalsContact O-CA 3.24Å; T166-F225 WeakPolarHBondContact O-CA 3.5Å; M167-F225 HydrophobicContact CB-CD1 3.72Å; M167-F225 HydrophobicContact CB-CE1 3.6Å; M167-F225 HydrophobicContact CB-CZ 4.43Å; M167-F225 HydrophobicContact CG-CD1 3.85Å; M167-F225 HydrophobicContact CG-CE1 3.39Å; M167-F225 HydrophobicContact CG-CE2 4.47Å; M167-F225 HydrophobicContact CG-CZ 3.73Å; P192-F225 CarbonylContact C-O 3.55Å; P192-F225 WeakPolarHBondContact CA-O 3.42Å; V193-F225 HydrophobicContact CG2-CB 4.46Å; V193-F225 WeakPolarHBondContact CG2-O 3.13Å; V193-F225 PolarHBondContact N-O 2.92Å; H194-F225 HydrophobicContact CB-CB 4.15Å; H194-F225 HydrophobicContact CB-CD2 4.11Å; H194-F225 HydrophobicContact CB-CG 4.48Å; H194-F225 AromaticContact CD2-CD2 3.52Å; H194-F225 AromaticContact CD2-CE2 3.73Å; H194-F225 PolarHBondContact N-O 2.99Å; H194-F225 PolarHBondContact O-N 3.3Å; P198-F225 HydrophobicContact CB-CZ 3.88Å; L201-F225 HydrophobicContact CD1-CB 3.98Å; L201-F225 HydrophobicContact CD1-CD1 3.92Å; L201-F225 HydrophobicContact CD1-CD2 4Å; L201-F225 HydrophobicContact CD1-CE1 4.42Å; L201-F225 HydrophobicContact CD1-CE2 4.49Å; L201-F225 HydrophobicContact CD1-CG 3.69Å; I203-F225 HydrophobicContact CD1-CD1 4.22Å; I203-F225 HydrophobicContact CD1-CE1 3.76Å; L206-F225 HydrophobicContact CD2-CE1 4.35Å; L206-F225 HydrophobicContact CD2-CZ 4.29Å; P223-F225 HydrophobicContact CB-CE2 3.65Å; P223-F225 HydrophobicContact CB-CZ 3.77Å
226	W	95.8	Very high	95.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.9	172.8	-70.1	-100.4	0	0	0	109.9	F124 V165 T166 R168 V170 T182 P192 V224	F124-W226 HydrophobicContact CE1-CG 4.28Å; F124-W226 HydrophobicContact CE2-CD2 4.47Å; F124-W226 HydrophobicContact CZ-CB 4.24Å; F124-W226 AromaticContact CZ-CD1 3.93Å; F124-W226 HydrophobicContact CZ-CD2 4.01Å; F124-W226 AromaticContact CZ-CG 3.82Å; F124-W226 HydrophobicContact CZ-CG 3.82Å; V165-W226 CarbonylContact C-O 3.33Å; V165-W226 WeakPolarHBondContact CA-O 3.45Å; V165-W226 WeakPolarHBondContact CB-O 3.34Å; T166-W226 PolarHBondContact N-O 2.77Å; T166-W226 PolarHBondContact O-N 2.88Å; T166-W226 PolarHBondContact OG1-O 3.04Å; R168-W226 HydrophobicContact CB-CZ3 3.86Å; R168-W226 HydrophobicContact CG-CZ3 4.23Å; V170-W226 HydrophobicContact CG2-CH2 4.22Å; T182-W226 HydrophobicContact CG2-CZ2 3.95Å; T182-W226 PolarHBondContact OG1-NE1 2.95Å; P192-W226 HydrophobicContact CG-CD2 4.43Å; P192-W226 HydrophobicContact CG-CZ2 3.76Å; V224-W226 HydrophobicContact CB-CE3 4.37Å; V224-W226 HydrophobicContact CB-CH2 3.59Å; V224-W226 HydrophobicContact CB-CZ3 3.48Å; V224-W226 VanDerWaalsContact CB-CZ3 3.48Å; V224-W226 HydrophobicContact CG1-CD2 4.42Å; V224-W226 HydrophobicContact CG1-CE3 3.99Å; V224-W226 HydrophobicContact CG1-CH2 3.18Å; V224-W226 HydrophobicContact CG1-CZ2 3.67Å; V224-W226 HydrophobicContact CG1-CZ3 3.35Å; V224-W226 VanDerWaalsContact O-CZ3 3.28Å; V224-W226 WeakPolarHBondContact O-CZ3 3.44Å
227	A	94.2	Very high	95.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	150	171.8	0	0	0	0	0	111	A51 P52 L163 H189 V193	A51-A227 HydrophobicContact CB-CB 3.94Å; P52-A227 HydrophobicContact CB-CB 4.09Å; L163-A227 HydrophobicContact CD1-CB 4.08Å; H189-A227 HydrophobicContact CB-CB 4.33Å; H189-A227 WeakPolarHBondContact CB-O 3.18Å; H189-A227 PolarHBondContact CD2-O 3.35Å; H189-A227 PolarHBondContact ND1-O 3.06Å; V193-A227 HydrophobicContact CG1-CB 4.05Å
228	C	90.4	Very high	95.1	Very high	7 Å²	7	23.3 Å²	23.3	5%	0.047	14%	0.14	C	C	.	.			trans	-128.4	139.9	-173.6	-173	0	0	0	0	111.8	V164 T166 V230 T231	V164-C228 HydrophobicContact CB-CB 4.35Å; V164-C228 HydrophobicContact CG1-CB 4.09Å; V164-C228 VanDerWaalsContact O-CB 3.32Å; V164-C228 WeakPolarHBondContact O-CB 3.23Å; V164-C228 PolarHBondContact O-N 2.8Å; T166-C228 HydrophobicContact CG2-CB 4.02Å; C228-V230 PolarHBondContact O-N 3.23Å; C228-V230 PolarHBondContact SG-N 3.25Å; C228-T231 VanDerWaalsContact O-CB 3.29Å; C228-T231 WeakPolarHBondContact O-CB 3.39Å; C228-T231 PolarHBondContact O-N 3.05Å; C228-T231 VanDerWaalsContact O-N 3.09Å; C228-T231 PolarHBondContact O-OG1 3.2Å
229	G	88.4	Confident	95	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.021	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.6	175.2	0	0	0	0	0	114.1	P52 H189 T231 S232	P52-G229 WeakPolarHBondContact O-CA 3.36Å; H189-G229 PolarHBondContact CE1-N 3.24Å; G229-T231 PolarHBondContact O-N 3.05Å; G229-S232 WeakPolarHBondContact O-CB 3.42Å; G229-S232 PolarHBondContact O-N 2.97Å; G229-S232 PolarHBondContact O-OG 3.44Å
230	V	89.7	Confident	95	Very high	6 Å²	6	17.9 Å²	17.9	4%	0.036	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.4	172	173.6	0	0	0	0	112.4	M146 V164 Y211 C228 S232 I233 E234	M146-V230 HydrophobicContact SD-CB 4.45Å; M146-V230 HydrophobicContact SD-CG2 3.68Å; V164-V230 HydrophobicContact CB-CB 4.49Å; V164-V230 HydrophobicContact CG1-CB 4.06Å; V164-V230 HydrophobicContact CG1-CG1 4.08Å; V164-V230 HydrophobicContact CG2-CG1 4.41Å; Y211-V230 HydrophobicContact CD1-CG1 4.38Å; Y211-V230 HydrophobicContact CD2-CG1 3.74Å; Y211-V230 HydrophobicContact CE1-CG1 4.31Å; Y211-V230 HydrophobicContact CE2-CG1 3.66Å; Y211-V230 HydrophobicContact CG-CG1 4.11Å; C228-V230 PolarHBondContact O-N 3.23Å; C228-V230 PolarHBondContact SG-N 3.25Å; V230-S232 PolarHBondContact O-N 3.39Å; V230-S232 VanDerWaalsContact O-N 3.1Å; V230-I233 HydrophobicContact CG1-CB 4.46Å; V230-I233 HydrophobicContact CG1-CD1 4.27Å; V230-I233 WeakPolarHBondContact O-CA 3.5Å; V230-I233 WeakPolarHBondContact O-CB 3.35Å; V230-I233 PolarHBondContact O-N 3.36Å; V230-E234 PolarHBondContact O-N 2.96Å
231	T	95.2	Very high	95	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-52.6	-30.2	167.5	-55.2	0	0	0	0	112.5	P52 L53 C153 V164 C228 G229 I233 E234 A235	P52-T231 HydrophobicContact CB-CG2 3.92Å; P52-T231 WeakPolarHBondContact CB-OG1 3.21Å; P52-T231 HydrophobicContact CG-CG2 4.32Å; L53-T231 HydrophobicContact CD2-CG2 4.42Å; C153-T231 VanDerWaalsContact SG-CG2 3.53Å; V164-T231 PolarHBondContact N-OG1 2.95Å; V164-T231 PolarHBondContact O-OG1 3.28Å; C228-T231 VanDerWaalsContact O-CB 3.29Å; C228-T231 WeakPolarHBondContact O-CB 3.39Å; C228-T231 PolarHBondContact O-N 3.05Å; C228-T231 VanDerWaalsContact O-N 3.09Å; C228-T231 PolarHBondContact O-OG1 3.2Å; G229-T231 PolarHBondContact O-N 3.05Å; T231-I233 VanDerWaalsContact C-N 3.31Å; T231-I233 PolarHBondContact O-N 3.47Å; T231-E234 PolarHBondContact O-N 2.96Å; T231-A235 PolarHBondContact O-N 2.67Å
232	S	94.6	Very high	94.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.5	-28.4	176.3	78.1	0	0	0	0	112.8	V32 G229 V230 A235 I236	V32-S232 WeakPolarHBondContact CG2-OG 3.08Å; G229-S232 WeakPolarHBondContact O-CB 3.42Å; G229-S232 PolarHBondContact O-N 2.97Å; G229-S232 PolarHBondContact O-OG 3.44Å; V230-S232 PolarHBondContact O-N 3.39Å; V230-S232 VanDerWaalsContact O-N 3.1Å; S232-A235 WeakPolarHBondContact O-CB 3.4Å; S232-A235 PolarHBondContact O-N 3.47Å; S232-I236 WeakPolarHBondContact O-CG1 3.36Å; S232-I236 PolarHBondContact O-N 2.65Å
233	I	93.2	Very high	94.5	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.031	8%	0.082	C	C	.	.	H	α-helix	trans	-69.7	-47.2	172.9	-62.6	174	0	0	0	109	Y85 V230 T231 A235 I236 L237	Y85-I233 HydrophobicContact CE1-CG2 4.26Å; Y85-I233 WeakPolarHBondContact OH-CG2 3.45Å; V230-I233 HydrophobicContact CG1-CB 4.46Å; V230-I233 HydrophobicContact CG1-CD1 4.27Å; V230-I233 WeakPolarHBondContact O-CA 3.5Å; V230-I233 WeakPolarHBondContact O-CB 3.35Å; V230-I233 PolarHBondContact O-N 3.36Å; T231-I233 VanDerWaalsContact C-N 3.31Å; T231-I233 PolarHBondContact O-N 3.47Å; I233-A235 PolarHBondContact O-N 2.89Å; I233-I236 WeakPolarHBondContact O-CB 3.32Å; I233-I236 PolarHBondContact O-N 3.18Å; I233-L237 HydrophobicContact CG2-CD1 4.28Å; I233-L237 HydrophobicContact CG2-CG 4.34Å; I233-L237 WeakPolarHBondContact O-CG 3.18Å; I233-L237 PolarHBondContact O-N 3.19Å
234	E	95.5	Very high	94.4	Very high	13 Å²	13	14.6 Å²	14.6	6%	0.061	8%	0.078	C	C	.	.	H	α-helix	trans	-57.5	-35.7	173.8	-65.9	-61.5	144.9	0	0	112.2	R148 C161 V164 Y211 V230 T231 L237 S238	R148-E234 WeakPolarHBondContact CD-OE1 3.45Å; R148-E234 HydrophobicContact CG-CG 4.45Å; C161-E234 HydrophobicContact CB-CB 3.81Å; V164-E234 HydrophobicContact CG2-CG 3.52Å; Y211-E234 PolarHBondContact OH-OE1 3.04Å; V230-E234 PolarHBondContact O-N 2.96Å; T231-E234 PolarHBondContact O-N 2.96Å; E234-L237 PolarHBondContact O-N 2.8Å; E234-S238 VanDerWaalsContact O-CB 3.29Å; E234-S238 WeakPolarHBondContact O-CB 3.37Å; E234-S238 PolarHBondContact O-N 3.39Å; E234-S238 PolarHBondContact O-OG 3.16Å
235	A	96.5	Very high	94.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.5	-47.9	174.1	0	0	0	0	0	111.5	F42 F45 F159 T231 S232 I233 S238 S239	F42-A235 HydrophobicContact CE2-CB 4.05Å; F45-A235 HydrophobicContact CE1-CB 3.93Å; F159-A235 HydrophobicContact CD1-CB 4.01Å; T231-A235 PolarHBondContact O-N 2.67Å; S232-A235 WeakPolarHBondContact O-CB 3.4Å; S232-A235 PolarHBondContact O-N 3.47Å; I233-A235 PolarHBondContact O-N 2.89Å; A235-S238 PolarHBondContact O-N 3.29Å; A235-S238 PolarHBondContact O-OG 2.74Å; A235-S239 PolarHBondContact O-N 3.43Å; A235-S239 PolarHBondContact O-OG 2.82Å
236	I	96.2	Very high	94.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.7	-48.3	174.8	-65.9	165	0	0	0	111.3	V32 L34 Y85 S232 I233 S238 S239 K240 P241 A244	V32-I236 HydrophobicContact CG1-CD1 3.96Å; V32-I236 HydrophobicContact CG1-CG1 4.33Å; V32-I236 HydrophobicContact CG2-CD1 4.15Å; L34-I236 HydrophobicContact CD2-CG1 4.02Å; Y85-I236 HydrophobicContact CD1-CG2 4.14Å; Y85-I236 HydrophobicContact CD2-CD1 4.35Å; Y85-I236 HydrophobicContact CD2-CG2 4.07Å; Y85-I236 HydrophobicContact CE2-CD1 4.29Å; Y85-I236 HydrophobicContact CG-CG2 3.75Å; S232-I236 WeakPolarHBondContact O-CG1 3.36Å; S232-I236 PolarHBondContact O-N 2.65Å; I233-I236 WeakPolarHBondContact O-CB 3.32Å; I233-I236 PolarHBondContact O-N 3.18Å; I236-S238 VanDerWaalsContact C-N 3.26Å; I236-S238 PolarHBondContact O-N 2.9Å; I236-S239 PolarHBondContact O-N 2.94Å; I236-K240 PolarHBondContact O-N 3.17Å; I236-P241 HydrophobicContact CG2-CG 3.98Å; I236-P241 WeakPolarHBondContact O-CD 3.42Å; I236-A244 HydrophobicContact CD1-CB 4.43Å; I236-A244 HydrophobicContact CG1-CB 4.39Å; I236-A244 HydrophobicContact CG2-CB 3.84Å
237	L	94.9	Very high	93.9	Very high	50 Å²	50	14.8 Å²	14.8	26%	0.262	8%	0.079	S	C	.	.	H	α-helix	trans	-61.5	-37.9	-178.8	-61.3	179.7	0	0	0	111.4	Y85 G88 I233 E234 K240	Y85-L237 HydrophobicContact CD1-CD2 3.9Å; Y85-L237 HydrophobicContact CE1-CD2 3.94Å; G88-L237 WeakPolarHBondContact O-CD2 3.31Å; I233-L237 HydrophobicContact CG2-CD1 4.28Å; I233-L237 HydrophobicContact CG2-CG 4.34Å; I233-L237 WeakPolarHBondContact O-CG 3.18Å; I233-L237 PolarHBondContact O-N 3.19Å; E234-L237 PolarHBondContact O-N 2.8Å; L237-K240 WeakPolarHBondContact O-CG 3.48Å
238	S	94.4	Very high	93.4	Very high	42 Å²	42	15 Å²	15	29%	0.294	8%	0.08	S	C	.	.	H	α-helix	trans	-74.4	-41.6	-179.3	73.4	0	0	0	0	113.5	R160 E234 A235 I236	R160-S238 WeakPolarHBondContact O-CB 3.46Å; R160-S238 PolarHBondContact O-OG 2.99Å; R160-S238 VanDerWaalsContact O-OG 3.13Å; E234-S238 VanDerWaalsContact O-CB 3.29Å; E234-S238 WeakPolarHBondContact O-CB 3.37Å; E234-S238 PolarHBondContact O-N 3.39Å; E234-S238 PolarHBondContact O-OG 3.16Å; A235-S238 PolarHBondContact O-N 3.29Å; A235-S238 PolarHBondContact O-OG 2.74Å; I236-S238 VanDerWaalsContact C-N 3.26Å; I236-S238 PolarHBondContact O-N 2.9Å
239	S	95.4	Very high	92.8	Very high	15 Å²	15	18 Å²	18	11%	0.105	10%	0.1	C	C	.	.	H	α-helix	trans	-81.9	-17	-176.5	69.7	0	0	0	0	113.1	E158 F159 A235 I236	E158-S239 WeakPolarHBondContact OE1-CB 3.5Å; F159-S239 WeakPolarHBondContact CE1-OG 3.07Å; A235-S239 PolarHBondContact O-N 3.43Å; A235-S239 PolarHBondContact O-OG 2.82Å; I236-S239 PolarHBondContact O-N 2.94Å
240	K	96	Very high	92	Very high	137 Å²	137	19.7 Å²	19.7	60%	0.596	12%	0.117	S	C	*	.			trans	52.2	54.4	175.2	-57.7	177.4	-175.9	174.2	0	113	I236 L237	I236-K240 PolarHBondContact O-N 3.17Å; L237-K240 WeakPolarHBondContact O-CG 3.48Å
241	P	93.8	Very high	91.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	12%	0.123	C	C	.	.			trans	-63.7	147.6	175.5	30.5	-33.6	0	0	0	109.2	L34 P35 I38 D87 I236 L243 A244	L34-P241 HydrophobicContact CD2-CG 4.39Å; P35-P241 HydrophobicContact CG-CB 4.4Å; I38-P241 HydrophobicContact CD1-CB 3.86Å; D87-P241 VanDerWaalsContact CA-O 3.32Å; D87-P241 WeakPolarHBondContact CA-O 3.24Å; D87-P241 PolarHBondContact N-O 2.84Å; I236-P241 HydrophobicContact CG2-CG 3.98Å; I236-P241 WeakPolarHBondContact O-CD 3.42Å; P241-L243 PolarHBondContact O-N 3.45Å; P241-L243 VanDerWaalsContact O-N 3.16Å; P241-A244 HydrophobicContact CB-CB 4.31Å; P241-A244 HydrophobicContact CG-CB 3.51Å
242	P	92.1	Very high	91.2	Very high	26 Å²	26	22.1 Å²	22.1	17%	0.169	13%	0.131	C	C	.	.	S	Bend	trans	-63.1	-26.4	-179.3	26.4	-36.5	0	0	0	111.5	R37 R105	R37-P242 VanDerWaalsContact NH2-CG 3.28Å; R105-P242 PolarHBondContact NH2-O 3.06Å
243	L	93.6	Very high	91	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	13%	0.131	C	C	.	.	S	Bend	trans	-154.3	133.1	171.2	179.6	63.8	0	0	0	108.4	P35 V84 Y85 E86 Y100 Q109 M113 P241 F245	P35-L243 VanDerWaalsContact CD-O 3.28Å; P35-L243 WeakPolarHBondContact CD-O 3.47Å; P35-L243 VanDerWaalsContact CG-O 3.31Å; P35-L243 WeakPolarHBondContact CG-O 3.44Å; V84-L243 HydrophobicContact CG1-CD1 4.02Å; Y85-L243 CarbonylContact O-C 3.56Å; Y85-L243 VanDerWaalsContact O-CA 3.29Å; Y85-L243 WeakPolarHBondContact O-CA 3.35Å; E86-L243 HydrophobicContact CG-CD1 4.21Å; Y100-L243 HydrophobicContact CE1-CD1 4.24Å; Y100-L243 HydrophobicContact CE1-CD2 4.22Å; Q109-L243 HydrophobicContact CB-CD2 4.42Å; Q109-L243 VanDerWaalsContact OE1-CD2 3.3Å; M113-L243 HydrophobicContact CE-CB 3.96Å; M113-L243 HydrophobicContact CE-CD2 3.66Å; M113-L243 HydrophobicContact CE-CG 3.78Å; P241-L243 PolarHBondContact O-N 3.45Å; P241-L243 VanDerWaalsContact O-N 3.16Å; L243-F245 HydrophobicContact CD1-CE1 4.15Å; L243-F245 HydrophobicContact CD1-CE2 4.31Å; L243-F245 HydrophobicContact CD1-CZ 3.79Å; L243-F245 HydrophobicContact CD2-CE2 4.08Å; L243-F245 HydrophobicContact CD2-CZ 3.84Å; L243-F245 HydrophobicContact CG-CE2 3.91Å; L243-F245 HydrophobicContact CG-CZ 3.81Å
244	A	96	Very high	90.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161.9	171.1	0	0	0	0	0	109.9	V33 L34 Y85 I236 P241	V33-A244 WeakPolarHBondContact O-CA 3.47Å; L34-A244 HydrophobicContact CD2-CB 3.79Å; Y85-A244 PolarHBondContact N-O 3.1Å; Y85-A244 PolarHBondContact O-N 2.86Å; I236-A244 HydrophobicContact CD1-CB 4.43Å; I236-A244 HydrophobicContact CG1-CB 4.39Å; I236-A244 HydrophobicContact CG2-CB 3.84Å; P241-A244 HydrophobicContact CB-CB 4.31Å; P241-A244 HydrophobicContact CG-CB 3.51Å
245	F	95.6	Very high	90.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.8	174.4	-46.4	-92.7	0	0	0	110.4	V32 V33 C83 V84 L97 Y100 L110 M113 L243	V32-F245 CarbonylContact C-O 3.46Å; V32-F245 WeakPolarHBondContact CA-O 3.36Å; V33-F245 HydrophobicContact CB-CB 3.97Å; V33-F245 HydrophobicContact CB-CD2 3.96Å; V33-F245 HydrophobicContact CB-CG 4.44Å; V33-F245 HydrophobicContact CG1-CD2 3.94Å; V33-F245 HydrophobicContact CG2-CB 4.3Å; V33-F245 PolarHBondContact N-O 3.14Å; V33-F245 PolarHBondContact O-N 2.76Å; C83-F245 VanDerWaalsContact O-CA 3.26Å; C83-F245 WeakPolarHBondContact O-CA 2.98Å; V84-F245 HydrophobicContact CB-CD1 4.39Å; V84-F245 HydrophobicContact CB-CE1 4.49Å; V84-F245 HydrophobicContact CG1-CD1 4.33Å; V84-F245 HydrophobicContact CG1-CE1 4.02Å; V84-F245 HydrophobicContact CG2-CD1 3.99Å; V84-F245 HydrophobicContact CG2-CE1 4.05Å; L97-F245 HydrophobicContact CD1-CB 4.35Å; L97-F245 HydrophobicContact CD1-CD1 4.49Å; L97-F245 HydrophobicContact CD1-CG 4.23Å; L97-F245 HydrophobicContact CD2-CD1 3.48Å; L97-F245 VanDerWaalsContact CD2-CD1 3.48Å; L97-F245 HydrophobicContact CD2-CE1 3.74Å; L97-F245 HydrophobicContact CD2-CG 4.04Å; L97-F245 HydrophobicContact CD2-CZ 4.49Å; Y100-F245 AromaticContact CD1-CE1 3.93Å; Y100-F245 HydrophobicContact CD1-CE1 3.93Å; Y100-F245 AromaticContact CD1-CZ 3.73Å; Y100-F245 HydrophobicContact CD1-CZ 3.73Å; Y100-F245 HydrophobicContact CD2-CE1 4.13Å; Y100-F245 AromaticContact CE1-CE1 3.85Å; Y100-F245 HydrophobicContact CE1-CE1 3.85Å; Y100-F245 AromaticContact CE1-CZ 3.71Å; Y100-F245 HydrophobicContact CE1-CZ 3.71Å; Y100-F245 HydrophobicContact CE2-CE1 4.06Å; Y100-F245 HydrophobicContact CG-CE1 4.09Å; Y100-F245 HydrophobicContact CG-CZ 4.27Å; Y100-F245 AromaticContact CZ-CE1 3.94Å; L110-F245 HydrophobicContact CD2-CE2 4.28Å; M113-F245 HydrophobicContact CE-CE2 4.19Å; L243-F245 HydrophobicContact CD1-CE1 4.15Å; L243-F245 HydrophobicContact CD1-CE2 4.31Å; L243-F245 HydrophobicContact CD1-CZ 3.79Å; L243-F245 HydrophobicContact CD2-CE2 4.08Å; L243-F245 HydrophobicContact CD2-CZ 3.84Å; L243-F245 HydrophobicContact CG-CE2 3.91Å; L243-F245 HydrophobicContact CG-CZ 3.81Å
246	S	95.1	Very high	90.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	165.7	163.3	76.8	0	0	0	0	109.3	V31 F82 C83 Y85	V31-S246 VanDerWaalsContact O-CA 3.24Å; V31-S246 WeakPolarHBondContact O-CA 3.39Å; V31-S246 WeakPolarHBondContact O-CB 3.47Å; F82-S246 CarbonylContact C-O 3.55Å; F82-S246 VanDerWaalsContact CA-O 3.22Å; F82-S246 WeakPolarHBondContact CA-O 3.35Å; C83-S246 WeakPolarHBondContact CB-OG 3.3Å; C83-S246 PolarHBondContact N-O 2.96Å; C83-S246 PolarHBondContact O-N 2.95Å; Y85-S246 WeakPolarHBondContact CE2-OG 3.27Å; Y85-S246 PolarHBondContact OH-OG 2.88Å; Y85-S246 VanDerWaalsContact OH-OG 3.08Å
247	H	90.1	Very high	89.6	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	151.3	157.8	75.1	-61.6	0	0	0	110.8	N30 V31 I79 C251	N30-H247 PolarHBondContact OD1-CE1 3.49Å; N30-H247 PolarHBondContact OD1-NE2 3.43Å; N30-H247 VanDerWaalsContact OD1-NE2 3.1Å; V31-H247 PolarHBondContact N-ND1 2.93Å; V31-H247 PolarHBondContact O-N 3.37Å; V31-H247 VanDerWaalsContact O-N 3.08Å; V31-H247 PolarHBondContact O-ND1 3.05Å; I79-H247 HydrophobicContact CD1-CB 4.12Å; I79-H247 HydrophobicContact CG2-CB 4.19Å; H247-C251 WeakPolarHBondContact CB-O 3.09Å
248	S	84.9	Confident	88.9	Confident	5 Å²	5	28.8 Å²	28.8	4%	0.035	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-70.9	142.7	164.9	-69.1	0	0	0	0	109.9	E81 C83 G250 C251	E81-S248 WeakPolarHBondContact CG-OG 3.24Å; E81-S248 PolarHBondContact O-N 3.44Å; E81-S248 VanDerWaalsContact OE1-CB 3.28Å; E81-S248 WeakPolarHBondContact OE1-CB 3.29Å; E81-S248 PolarHBondContact OE1-OG 2.85Å; C83-S248 PolarHBondContact SG-OG 3.18Å; S248-G250 PolarHBondContact O-N 2.91Å; S248-C251 WeakPolarHBondContact O-CA 3.29Å; S248-C251 VanDerWaalsContact O-CB 3.27Å; S248-C251 WeakPolarHBondContact O-CB 3.36Å; S248-C251 PolarHBondContact O-N 3.34Å
249	P	76.9	Confident	87.9	Confident	71 Å²	71	28.6 Å²	28.6	46%	0.461	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	128.3	175.2	-28.4	35.7	0	0	0	112.1	C251	P249-C251 VanDerWaalsContact C-N 3.35Å
250	G	73.1	Confident	86.5	Confident	37 Å²	37	30.9 Å²	30.9	38%	0.381	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-5.1	-174.4	0	0	0	0	0	115.2	S248 M252	S248-G250 PolarHBondContact O-N 2.91Å; G250-M252 WeakPolarHBondContact CA-SD 3.26Å; G250-M252 VanDerWaalsContact O-CE 3.27Å; G250-M252 WeakPolarHBondContact O-CE 3.11Å
251	C	82.8	Confident	84.9	Confident	22 Å²	22	27.3 Å²	27.3	15%	0.149	18%	0.177	C	C	.	.			trans	-109.5	52.2	177.9	-60.6	0	0	0	0	111.8	I79 S80 E81 H247 S248 P249	I79-C251 HydrophobicContact CG2-CB 4.13Å; I79-C251 WeakPolarHBondContact CG2-O 3.44Å; S80-C251 VanDerWaalsContact OG-CB 3.24Å; S80-C251 WeakPolarHBondContact OG-CB 3.04Å; S80-C251 PolarHBondContact OG-SG 3.11Å; E81-C251 HydrophobicContact CB-CB 4.43Å; H247-C251 WeakPolarHBondContact CB-O 3.09Å; S248-C251 WeakPolarHBondContact O-CA 3.29Å; S248-C251 VanDerWaalsContact O-CB 3.27Å; S248-C251 WeakPolarHBondContact O-CB 3.36Å; S248-C251 PolarHBondContact O-N 3.34Å; P249-C251 VanDerWaalsContact C-N 3.35Å
252	M	85	Confident	83.5	Confident	35 Å²	35	30 Å²	30	17%	0.172	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-70.8	158.5	-174.8	-58.1	67.3	43.4	0	0	112.9	Q28 G250	Q28-M252 HydrophobicContact CB-CB 4.06Å; G250-M252 WeakPolarHBondContact CA-SD 3.26Å; G250-M252 VanDerWaalsContact O-CE 3.27Å; G250-M252 WeakPolarHBondContact O-CE 3.11Å
253	F	89.3	Confident	81.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	130	170.3	-179.5	-97.3	0	0	0	110.9	Q28 A29 V31 C66 A70 A73 I75 D78 I79 Y117 T255	Q28-F253 CarbonylContact C-O 3.48Å; Q28-F253 VanDerWaalsContact CA-O 3.31Å; Q28-F253 WeakPolarHBondContact CA-O 3.44Å; A29-F253 HydrophobicContact CB-CB 4.47Å; A29-F253 PolarHBondContact N-O 2.89Å; A29-F253 PolarHBondContact O-N 3.24Å; V31-F253 HydrophobicContact CG2-CB 3.76Å; C66-F253 WeakPolarHBondContact SG-CZ 3.36Å; A70-F253 HydrophobicContact CB-CE1 3.89Å; A70-F253 HydrophobicContact CB-CZ 3.7Å; A73-F253 HydrophobicContact CB-CE2 4.23Å; A73-F253 HydrophobicContact CB-CZ 3.81Å; I75-F253 HydrophobicContact CD1-CD2 4.02Å; I75-F253 HydrophobicContact CD1-CE2 4.49Å; D78-F253 HydrophobicContact CB-CD2 4.25Å; D78-F253 HydrophobicContact CB-CE2 3.84Å; I79-F253 HydrophobicContact CD1-CB 4.06Å; I79-F253 HydrophobicContact CG1-CB 4.05Å; I79-F253 HydrophobicContact CG1-CD2 4.19Å; Y117-F253 AromaticContact CD1-CD1 3.81Å; Y117-F253 HydrophobicContact CD1-CD1 3.81Å; Y117-F253 HydrophobicContact CD1-CE1 4.24Å; Y117-F253 HydrophobicContact CD1-CG 4.19Å; Y117-F253 HydrophobicContact CE1-CB 4.49Å; Y117-F253 AromaticContact CE1-CD1 3.7Å; Y117-F253 HydrophobicContact CE1-CD1 3.7Å; Y117-F253 HydrophobicContact CE1-CD2 4.18Å; Y117-F253 AromaticContact CE1-CE1 3.87Å; Y117-F253 HydrophobicContact CE1-CE1 3.87Å; Y117-F253 HydrophobicContact CE1-CE2 4.33Å; Y117-F253 AromaticContact CE1-CG 3.86Å; Y117-F253 HydrophobicContact CE1-CG 3.86Å; Y117-F253 HydrophobicContact CE1-CZ 4.19Å; F253-T255 HydrophobicContact CD1-CG2 4.12Å; F253-T255 HydrophobicContact CE1-CG2 4.25Å
254	L	88.6	Confident	79.4	Confident	20 Å²	20	40.7 Å²	40.7	11%	0.105	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.9	178.7	-176.1	66.1	0	0	0	110.9	L2 M5 R6 Q28	L2-L254 HydrophobicContact CD2-CD2 3.99Å; M5-L254 HydrophobicContact CB-CD2 4.39Å; R6-L254 VanDerWaalsContact CZ-O 3.28Å; R6-L254 PolarHBondContact NE-O 2.82Å; R6-L254 PolarHBondContact NH2-O 3.04Å; Q28-L254 HydrophobicContact CG-CD1 4.06Å
255	T	88.8	Confident	77.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	170.8	179.2	76	0	0	0	0	112.4	R6 Q27 A29 L69 F253 I257	R6-T255 PolarHBondContact NH2-O 3.48Å; Q27-T255 WeakPolarHBondContact CB-OG1 3.21Å; Q27-T255 WeakPolarHBondContact O-CB 3.36Å; Q27-T255 WeakPolarHBondContact O-CG2 3.33Å; Q27-T255 PolarHBondContact O-N 2.84Å; Q27-T255 PolarHBondContact O-OG1 2.79Å; A29-T255 HydrophobicContact CB-CG2 4.43Å; L69-T255 HydrophobicContact CB-CG2 4.17Å; L69-T255 WeakPolarHBondContact O-CB 3.5Å; F253-T255 HydrophobicContact CD1-CG2 4.12Å; F253-T255 HydrophobicContact CE1-CG2 4.25Å; T255-I257 VanDerWaalsContact C-N 3.31Å; T255-I257 PolarHBondContact OG1-N 2.96Å; T255-I257 VanDerWaalsContact OG1-N 3.16Å; T255-I257 PolarHBondContact OG1-O 3.41Å
256	D	89.1	Confident	77.2	Confident	49 Å²	49	46.7 Å²	46.7	26%	0.262	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	0.4	167.8	-69.9	-33.1	0	0	0	111.9	L2 R6 Y26 L69 A70 K71	L2-D256 VanDerWaalsContact CD1-OD1 3.28Å; L2-D256 WeakPolarHBondContact CD1-OD1 3.44Å; R6-D256 IonicContact CZ-OD1 3.38Å; R6-D256 IonicContact CZ-OD2 3.89Å; R6-D256 IonicContact NH1-OD1 3.57Å; R6-D256 PolarHBondContact NH1-OD1 3.29Å; R6-D256 IonicContact NH1-OD2 3.85Å; R6-D256 PolarHBondContact NH1-OD2 3.44Å; R6-D256 IonicContact NH2-OD1 3.55Å; R6-D256 PolarHBondContact NH2-OD1 3.06Å; R6-D256 IonicContact NH2-OD2 3.5Å; Y26-D256 WeakPolarHBondContact CE1-O 3.34Å; L69-D256 PolarHBondContact O-N 2.96Å; A70-D256 VanDerWaalsContact CA-OD2 3.26Å; A70-D256 WeakPolarHBondContact CA-OD2 3.46Å; K71-D256 PolarHBondContact N-OD2 2.81Å
257	I	85.1	Confident	76.6	Confident	56 Å²	56	50.8 Å²	50.8	29%	0.287	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.4	-178.4	-58.9	177.6	0	0	0	108.9	Y26 Q27 L69 T255	Y26-I257 CarbonylContact C-O 3.55Å; Y26-I257 WeakPolarHBondContact CA-O 3.1Å; Q27-I257 HydrophobicContact CB-CB 4.33Å; Q27-I257 PolarHBondContact N-O 3.13Å; L69-I257 HydrophobicContact CD2-CD1 3.57Å; T255-I257 VanDerWaalsContact C-N 3.31Å; T255-I257 PolarHBondContact OG1-N 2.96Å; T255-I257 VanDerWaalsContact OG1-N 3.16Å; T255-I257 PolarHBondContact OG1-O 3.41Å
258	P	80.4	Confident	76.5	Confident	84 Å²	84	55.8 Å²	55.8	55%	0.545	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	139.2	174.1	-23.1	34.1	0	0	0	112.1	G25 A260	G25-P258 CarbonylContact O-C 3.46Å; G25-P258 WeakPolarHBondContact O-CA 3.21Å; P258-A260 PolarHBondContact O-N 3.47Å
259	D	73.2	Confident	76.6	Confident	38 Å²	38	59.6 Å²	59.6	20%	0.203	37%	0.369	C	S	.	.			trans	-80.5	69.8	172.4	-172.2	11.1	0	0	0	110.5	G25 G123 R127 N185	G25-D259 PolarHBondContact O-N 2.65Å; G123-D259 WeakPolarHBondContact CA-OD2 3.22Å; R127-D259 IonicContact CZ-OD1 3.01Å; R127-D259 IonicContact NH1-OD1 3.53Å; R127-D259 PolarHBondContact NH2-O 2.81Å; R127-D259 IonicContact NH2-OD1 3.93Å; R127-D259 PolarHBondContact NH2-OD1 3.24Å; N185-D259 PolarHBondContact ND2-OD1 3.44Å
260	A	66.1	Low	77.2	Confident	63 Å²	63	56.5 Å²	56.5	52%	0.521	35%	0.348	S	S	.	.			trans	-96.7	145.5	175.2	0	0	0	0	0	110.8	R127 P258	R127-A260 VanDerWaalsContact NH2-C 3.34Å; P258-A260 PolarHBondContact O-N 3.47Å
261	P	63.6	Low	78.2	Confident	61 Å²	61	54.9 Å²	54.9	40%	0.396	33%	0.331	S	S	.	.			trans	-58.8	152.1	170	25.1	-31.9	0	0	0	110	Q184 A263	Q184-P261 HydrophobicContact CB-CB 4.25Å; P261-A263 PolarHBondContact O-N 2.79Å
262	S	63.6	Low	78.8	Confident	57 Å²	57	55.2 Å²	55.2	40%	0.399	33%	0.332	S	S	.	.			trans	-59.5	113.2	172.9	-176.1	0	0	0	0	109.4	Q184 N264	Q184-S262 WeakPolarHBondContact O-CB 3.21Å; Q184-S262 PolarHBondContact O-N 3.44Å; S262-N264 PolarHBondContact O-N 3.23Å
263	A	49.1	Very low	79.3	Confident	99 Å²	99	54.2 Å²	54.2	82%	0.818	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-9.4	-174.3	0	0	0	0	0	114.5	P261	P261-A263 PolarHBondContact O-N 2.79Å
264	N	51.9	Low	79.7	Confident	154 Å²	154	56 Å²	56	82%	0.824	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	52.2	-172.5	-78.6	-17.4	0	0	0	112.5	S262	S262-N264 PolarHBondContact O-N 3.23Å
265	T	63.9	Low	80.1	Confident	46 Å²	46	57 Å²	57	28%	0.282	34%	0.341	S	S	.	.			trans	-97.9	114.5	167.8	49.6	0	0	0	0	109.5	P267	T265-P267 VanDerWaalsContact O-CD 3.3Å; T265-P267 WeakPolarHBondContact O-CD 3.44Å
266	D	79.8	Confident	80.4	Confident	80 Å²	80	57.1 Å²	57.1	43%	0.428	34%	0.341	S	S	.	.			trans	-56.9	118.8	169.7	174.7	1	0	0	0	108.4	Q268 L269	D266-Q268 PolarHBondContact O-N 3.33Å; D266-Q268 VanDerWaalsContact OD1-CB 3.27Å; D266-Q268 WeakPolarHBondContact OD1-CB 3.41Å; D266-Q268 PolarHBondContact OD1-N 3.4Å; D266-L269 HydrophobicContact CB-CB 4.42Å; D266-L269 HydrophobicContact CB-CD1 4Å; D266-L269 HydrophobicContact CB-CG 3.94Å; D266-L269 WeakPolarHBondContact O-CB 3.34Å; D266-L269 PolarHBondContact O-N 3.28Å
267	P	83.6	Confident	80.7	Confident	86 Å²	86	55.4 Å²	55.4	56%	0.558	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-56.5	-24.8	-179.7	-25.6	34.8	0	0	0	113.5	T265 L269 T270 K288	T265-P267 VanDerWaalsContact O-CD 3.3Å; T265-P267 WeakPolarHBondContact O-CD 3.44Å; P267-L269 PolarHBondContact O-N 2.98Å; P267-T270 WeakPolarHBondContact O-CB 3.3Å; P267-T270 PolarHBondContact O-N 3.31Å; P267-T270 PolarHBondContact O-OG1 2.94Å; P267-K288 WeakPolarHBondContact O-CD 3.41Å
268	Q	87.5	Confident	81.1	Confident	109 Å²	109	59.2 Å²	59.2	51%	0.509	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-69.6	-23.3	175.9	-68.1	-67.2	-23.5	0	0	112.4	D266 K288 A289	D266-Q268 PolarHBondContact O-N 3.33Å; D266-Q268 VanDerWaalsContact OD1-CB 3.27Å; D266-Q268 WeakPolarHBondContact OD1-CB 3.41Å; D266-Q268 PolarHBondContact OD1-N 3.4Å; Q268-K288 PolarHBondContact O-N 3.09Å; Q268-A289 HydrophobicContact CB-CB 4.06Å; Q268-A289 VanDerWaalsContact O-CB 3.29Å; Q268-A289 WeakPolarHBondContact O-CB 3.28Å; Q268-A289 PolarHBondContact O-N 3.34Å
269	L	86.9	Confident	81.6	Confident	84 Å²	84	59.4 Å²	59.4	44%	0.44	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-87.8	-10.5	177.6	-60	-177.7	0	0	0	113.4	D266 P267 S287	D266-L269 HydrophobicContact CB-CB 4.42Å; D266-L269 HydrophobicContact CB-CD1 4Å; D266-L269 HydrophobicContact CB-CG 3.94Å; D266-L269 WeakPolarHBondContact O-CB 3.34Å; D266-L269 PolarHBondContact O-N 3.28Å; P267-L269 PolarHBondContact O-N 2.98Å; L269-S287 WeakPolarHBondContact O-CB 3.11Å
270	T	90.6	Very high	82.6	Confident	6 Å²	6	58.5 Å²	58.5	4%	0.037	34%	0.342	C	S	.	.			trans	-56	126.8	176.7	-55.5	0	0	0	0	110.6	E180 P267 S287 K288	E180-T270 HydrophobicContact CB-CG2 4.1Å; E180-T270 HydrophobicContact CG-CG2 3.78Å; P267-T270 WeakPolarHBondContact O-CB 3.3Å; P267-T270 PolarHBondContact O-N 3.31Å; P267-T270 PolarHBondContact O-OG1 2.94Å; T270-S287 CarbonylContact O-C 3.43Å; T270-S287 WeakPolarHBondContact O-CA 3.39Å; T270-K288 WeakPolarHBondContact O-CG 3.15Å; T270-K288 PolarHBondContact O-N 3.17Å
271	P	93.2	Very high	84.1	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.019	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	143.1	177.3	-8.2	22.1	0	0	0	112.1	V179 H183 L285 V286 A537	V179-P271 HydrophobicContact CG1-CB 3.7Å; V179-P271 HydrophobicContact CG1-CG 4.16Å; H183-P271 HydrophobicContact CB-CG 4.15Å; H183-P271 VanDerWaalsContact CD2-CD 3.5Å; H183-P271 WeakPolarHBondContact CD2-CD 3.39Å; P271-L285 HydrophobicContact CB-CB 4.28Å; P271-V286 CarbonylContact C-O 3.47Å; P271-V286 WeakPolarHBondContact CA-O 3.36Å; P271-A537 HydrophobicContact CB-CB 4.19Å; P271-A537 HydrophobicContact CG-CB 3.92Å
272	L	94.8	Very high	85.7	Confident	30 Å²	30	55.5 Å²	55.5	16%	0.157	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	153.7	167.1	-63.9	177.3	0	0	0	109.3	F274 L285 V286 K288 A291	L272-F274 HydrophobicContact CB-CD2 4.26Å; L272-F274 HydrophobicContact CB-CE2 3.52Å; L272-F274 HydrophobicContact CB-CZ 4.07Å; L272-F274 HydrophobicContact CD1-CE2 4.1Å; L272-F274 HydrophobicContact CD1-CZ 3.94Å; L272-F274 HydrophobicContact CG-CE2 4.48Å; L272-L285 VanDerWaalsContact O-CA 3.26Å; L272-L285 WeakPolarHBondContact O-CA 3.31Å; L272-V286 PolarHBondContact N-O 2.77Å; L272-V286 PolarHBondContact O-N 2.92Å; L272-V286 VanDerWaalsContact O-N 3.1Å; L272-K288 HydrophobicContact CD1-CG 3.88Å; L272-K288 HydrophobicContact CD2-CD 4.39Å; L272-K288 HydrophobicContact CD2-CG 3.81Å; L272-K288 HydrophobicContact CG-CG 3.67Å; L272-A291 HydrophobicContact CD1-CB 4.33Å
273	C	96.8	Very high	87.3	Confident	14 Å²	14	54.3 Å²	54.3	10%	0.095	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.7	-179.1	-162.9	0	0	0	0	110.9	L175 D176 V179 L285	L175-C273 HydrophobicContact CB-CB 4.21Å; D176-C273 WeakPolarHBondContact OD1-CA 3.42Å; D176-C273 WeakPolarHBondContact OD1-CB 3.45Å; D176-C273 PolarHBondContact OD1-N 2.82Å; V179-C273 HydrophobicContact CG2-CB 4.29Å; C273-L285 HydrophobicContact CB-CD2 3.81Å
274	F	97.2	Very high	89.7	Confident	37 Å²	37	49.6 Å²	49.6	16%	0.162	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.9	179.8	-66.8	-86.5	0	0	0	110.7	L272 V276 Y283 S284 V286 A291 L320 L324	L272-F274 HydrophobicContact CB-CD2 4.26Å; L272-F274 HydrophobicContact CB-CE2 3.52Å; L272-F274 HydrophobicContact CB-CZ 4.07Å; L272-F274 HydrophobicContact CD1-CE2 4.1Å; L272-F274 HydrophobicContact CD1-CZ 3.94Å; L272-F274 HydrophobicContact CG-CE2 4.48Å; F274-V276 PolarHBondContact O-N 3.31Å; F274-Y283 CarbonylContact O-C 3.44Å; F274-Y283 WeakPolarHBondContact O-CA 3.44Å; F274-Y283 WeakPolarHBondContact O-CB 3.45Å; F274-S284 PolarHBondContact N-O 3.08Å; F274-S284 PolarHBondContact O-N 3.09Å; F274-V286 HydrophobicContact CD2-CG1 3.63Å; F274-V286 HydrophobicContact CE2-CG1 3.47Å; F274-V286 VanDerWaalsContact CE2-CG1 3.47Å; F274-A291 HydrophobicContact CE2-CB 4.29Å; F274-A291 HydrophobicContact CZ-CB 4.29Å; F274-L320 HydrophobicContact CD1-CD2 4.08Å; F274-L320 HydrophobicContact CD2-CD2 4.37Å; F274-L320 HydrophobicContact CE1-CD2 3.63Å; F274-L320 HydrophobicContact CE2-CD2 3.93Å; F274-L320 HydrophobicContact CG-CD2 4.43Å; F274-L320 HydrophobicContact CZ-CD2 3.54Å; F274-L324 HydrophobicContact CB-CD1 3.65Å; F274-L324 HydrophobicContact CD2-CD1 4.1Å; F274-L324 HydrophobicContact CG-CD1 4.02Å
275	L	96.9	Very high	91.8	Very high	40 Å²	40	42.3 Å²	42.3	21%	0.209	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	129.5	170.8	-179.9	72.5	0	0	0	110	T277 H278 L281 Y283	L275-T277 WeakPolarHBondContact CD1-O 3.2Å; L275-H278 WeakPolarHBondContact CD2-CE1 3.43Å; L275-H278 WeakPolarHBondContact CD2-NE2 3.3Å; L275-L281 HydrophobicContact CD1-CD1 3.71Å; L275-Y283 HydrophobicContact CB-CD1 3.96Å; L275-Y283 HydrophobicContact CB-CE1 3.74Å; L275-Y283 HydrophobicContact CD1-CD1 4.35Å; L275-Y283 HydrophobicContact CD1-CD2 4.08Å; L275-Y283 HydrophobicContact CD1-CE1 4.02Å; L275-Y283 HydrophobicContact CD1-CE2 3.73Å; L275-Y283 HydrophobicContact CD1-CG 4.36Å; L275-Y283 HydrophobicContact CG-CE1 4.47Å
276	V	95.9	Very high	93.4	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-57.6	175.8	179.1	0	0	0	0	109.8	F274 L282 R321 L324 A325 M473	F274-V276 PolarHBondContact O-N 3.31Å; V276-L282 HydrophobicContact CB-CD2 4.46Å; V276-L282 HydrophobicContact CB-CG 4.39Å; V276-L282 WeakPolarHBondContact CB-O 3.26Å; V276-L282 PolarHBondContact N-O 3.5Å; V276-R321 PolarHBondContact O-NE 2.96Å; V276-R321 PolarHBondContact O-NH2 2.91Å; V276-L324 HydrophobicContact CG2-CB 4.16Å; V276-A325 HydrophobicContact CG1-CB 3.77Å; V276-M473 WeakPolarHBondContact O-CE 3.26Å
277	T	94.6	Very high	94.2	Very high	14 Å²	14	36.5 Å²	36.5	9%	0.086	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	152.4	-179.7	176	0	0	0	0	111.5	L275 N279 P280 L281 L282 M473	L275-T277 WeakPolarHBondContact CD1-O 3.2Å; T277-N279 PolarHBondContact OG1-N 2.76Å; T277-N279 VanDerWaalsContact OG1-N 3.11Å; T277-N279 PolarHBondContact OG1-O 3.31Å; T277-P280 CarbonylContact C-O 3.52Å; T277-P280 WeakPolarHBondContact CG2-O 3.49Å; T277-L281 WeakPolarHBondContact O-CA 3.5Å; T277-L282 HydrophobicContact CG2-CB 3.65Å; T277-L282 HydrophobicContact CG2-CD2 4.42Å; T277-L282 PolarHBondContact N-O 3.35Å; T277-L282 PolarHBondContact O-N 3.02Å; T277-M473 VanDerWaalsContact CB-SD 3.56Å; T277-M473 HydrophobicContact CG2-SD 4.44Å
278	H	92.8	Very high	94.8	Very high	135 Å²	135	35.6 Å²	35.6	63%	0.625	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	-18.5	173.1	-70.2	-79.1	0	0	0	112.9	L275 P280 L281	L275-H278 WeakPolarHBondContact CD2-CE1 3.43Å; L275-H278 WeakPolarHBondContact CD2-NE2 3.3Å; H278-P280 VanDerWaalsContact C-C 3.45Å; H278-P280 CarbonylContact C-O 3.43Å; H278-P280 CarbonylContact O-C 3.6Å; H278-L281 PolarHBondContact O-N 2.83Å
279	N	91.1	Very high	95.2	Very high	88 Å²	88	31.8 Å²	31.8	47%	0.471	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.5	100.3	-176.1	-173.5	20.8	0	0	0	111.4	T277 G471	T277-N279 PolarHBondContact OG1-N 2.76Å; T277-N279 VanDerWaalsContact OG1-N 3.11Å; T277-N279 PolarHBondContact OG1-O 3.31Å; N279-G471 PolarHBondContact O-N 3.06Å
280	P	94.6	Very high	95.7	Very high	19 Å²	19	28.5 Å²	28.5	12%	0.123	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	cis	-64.6	159.3	-9.1	30	-34.6	0	0	0	111	D197 L200 T277 H278 L282	D197-P280 HydrophobicContact CB-CB 3.78Å; D197-P280 WeakPolarHBondContact OD2-CB 3.44Å; L200-P280 HydrophobicContact CD1-CB 4.46Å; L200-P280 HydrophobicContact CD1-CG 4.08Å; L200-P280 HydrophobicContact CD2-CG 4.04Å; L200-P280 HydrophobicContact CG-CG 4.27Å; T277-P280 CarbonylContact C-O 3.52Å; T277-P280 WeakPolarHBondContact CG2-O 3.49Å; H278-P280 VanDerWaalsContact C-C 3.45Å; H278-P280 CarbonylContact C-O 3.43Å; H278-P280 CarbonylContact O-C 3.6Å; P280-L282 PolarHBondContact O-N 3.1Å
281	L	97.1	Very high	96.1	Very high	46 Å²	46	28.2 Å²	28.2	24%	0.241	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	120.1	176	-175.7	66.5	0	0	0	109.5	G196 D197 V222 L275 T277 H278 Y283	G196-L281 CarbonylContact C-O 3.59Å; G196-L281 WeakPolarHBondContact CA-O 3.45Å; D197-L281 WeakPolarHBondContact CB-O 3.31Å; D197-L281 PolarHBondContact N-O 3.49Å; V222-L281 HydrophobicContact CG1-CD2 4Å; V222-L281 HydrophobicContact CG2-CD2 4.28Å; L275-L281 HydrophobicContact CD1-CD1 3.71Å; T277-L281 WeakPolarHBondContact O-CA 3.5Å; H278-L281 PolarHBondContact O-N 2.83Å; L281-Y283 HydrophobicContact CD1-CE2 3.78Å; L281-Y283 HydrophobicContact CD2-CE2 4.24Å; L281-Y283 HydrophobicContact CG-CD2 4.44Å; L281-Y283 HydrophobicContact CG-CE2 3.98Å
282	L	97.5	Very high	96.3	Very high	16 Å²	16	29.6 Å²	29.6	8%	0.084	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	127.2	178.3	177.6	64.1	0	0	0	110.4	L200 V276 T277 P280	L200-L282 HydrophobicContact CD1-CB 4.25Å; L200-L282 HydrophobicContact CD1-CD1 3.95Å; L200-L282 HydrophobicContact CD1-CG 4.48Å; V276-L282 HydrophobicContact CB-CD2 4.46Å; V276-L282 HydrophobicContact CB-CG 4.39Å; V276-L282 WeakPolarHBondContact CB-O 3.26Å; V276-L282 PolarHBondContact N-O 3.5Å; T277-L282 HydrophobicContact CG2-CB 3.65Å; T277-L282 HydrophobicContact CG2-CD2 4.42Å; T277-L282 PolarHBondContact N-O 3.35Å; T277-L282 PolarHBondContact O-N 3.02Å; P280-L282 PolarHBondContact O-N 3.1Å
283	Y	98.4	Very high	96.5	Very high	31 Å²	31	31.7 Å²	31.7	12%	0.122	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	159	164.7	-63.9	-110.5	0	0	0	110.6	L175 V195 V222 F274 L275 L281 Y541	L175-Y283 HydrophobicContact CD1-CD1 3.84Å; L175-Y283 HydrophobicContact CD1-CD2 4.37Å; L175-Y283 HydrophobicContact CD1-CE1 3.48Å; L175-Y283 VanDerWaalsContact CD1-CE1 3.48Å; L175-Y283 HydrophobicContact CD1-CE2 4.05Å; L175-Y283 HydrophobicContact CD1-CG 4.29Å; V195-Y283 HydrophobicContact CG1-CD2 3.81Å; V195-Y283 HydrophobicContact CG1-CG 3.88Å; V195-Y283 PolarHBondContact O-N 3.09Å; V222-Y283 HydrophobicContact CG1-CD2 4.34Å; V222-Y283 HydrophobicContact CG1-CE2 4Å; V222-Y283 HydrophobicContact CG2-CE2 4.24Å; F274-Y283 CarbonylContact O-C 3.44Å; F274-Y283 WeakPolarHBondContact O-CA 3.44Å; F274-Y283 WeakPolarHBondContact O-CB 3.45Å; L275-Y283 HydrophobicContact CB-CD1 3.96Å; L275-Y283 HydrophobicContact CB-CE1 3.74Å; L275-Y283 HydrophobicContact CD1-CD1 4.35Å; L275-Y283 HydrophobicContact CD1-CD2 4.08Å; L275-Y283 HydrophobicContact CD1-CE1 4.02Å; L275-Y283 HydrophobicContact CD1-CE2 3.73Å; L275-Y283 HydrophobicContact CD1-CG 4.36Å; L275-Y283 HydrophobicContact CG-CE1 4.47Å; L281-Y283 HydrophobicContact CD1-CE2 3.78Å; L281-Y283 HydrophobicContact CD2-CE2 4.24Å; L281-Y283 HydrophobicContact CG-CD2 4.44Å; L281-Y283 HydrophobicContact CG-CE2 3.98Å; Y283-Y541 WeakPolarHBondContact O-CE1 3.38Å; Y283-Y541 PolarHBondContact O-OH 2.88Å
284	S	97.9	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154	175.3	-170.4	0	0	0	0	111.4	F274 H328 H538	F274-S284 PolarHBondContact N-O 3.08Å; F274-S284 PolarHBondContact O-N 3.09Å; S284-H328 VanDerWaalsContact CB-NE2 3.28Å; S284-H328 WeakPolarHBondContact CB-NE2 3.29Å; S284-H328 PolarHBondContact OG-NE2 2.87Å; S284-H538 PolarHBondContact OG-CE1 3.11Å; S284-H538 VanDerWaalsContact OG-CE1 3.31Å
285	L	97.6	Very high	96.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140	178.7	-53.1	-174.3	0	0	0	111.5	V179 A191 P271 L272 C273 H538 Y541	V179-L285 HydrophobicContact CG1-CD1 4.13Å; V179-L285 HydrophobicContact CG1-CD2 4.17Å; V179-L285 HydrophobicContact CG2-CD1 4.33Å; V179-L285 HydrophobicContact CG2-CD2 3.75Å; A191-L285 HydrophobicContact CB-CD1 4.47Å; P271-L285 HydrophobicContact CB-CB 4.28Å; L272-L285 VanDerWaalsContact O-CA 3.26Å; L272-L285 WeakPolarHBondContact O-CA 3.31Å; C273-L285 HydrophobicContact CB-CD2 3.81Å; L285-H538 WeakPolarHBondContact O-CA 3.17Å; L285-H538 WeakPolarHBondContact O-CB 3.36Å; L285-H538 PolarHBondContact O-ND1 3.32Å; L285-Y541 HydrophobicContact CB-CD1 4.48Å; L285-Y541 HydrophobicContact CB-CD2 4.13Å; L285-Y541 HydrophobicContact CB-CG 3.98Å; L285-Y541 HydrophobicContact CD1-CD2 3.48Å; L285-Y541 VanDerWaalsContact CD1-CD2 3.48Å; L285-Y541 HydrophobicContact CD1-CE2 3.92Å; L285-Y541 HydrophobicContact CD1-CG 4.16Å; L285-Y541 HydrophobicContact CG-CD1 4.46Å; L285-Y541 HydrophobicContact CG-CD2 3.54Å; L285-Y541 HydrophobicContact CG-CE2 3.79Å; L285-Y541 HydrophobicContact CG-CG 3.9Å
286	V	97	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	146	174.6	58.8	0	0	0	0	109.7	P271 L272 F274 T290 A291 L324 L532	P271-V286 CarbonylContact C-O 3.47Å; P271-V286 WeakPolarHBondContact CA-O 3.36Å; L272-V286 PolarHBondContact N-O 2.77Å; L272-V286 PolarHBondContact O-N 2.92Å; L272-V286 VanDerWaalsContact O-N 3.1Å; F274-V286 HydrophobicContact CD2-CG1 3.63Å; F274-V286 HydrophobicContact CE2-CG1 3.47Å; F274-V286 VanDerWaalsContact CE2-CG1 3.47Å; V286-T290 HydrophobicContact CG2-CG2 3.45Å; V286-T290 VanDerWaalsContact CG2-CG2 3.45Å; V286-A291 HydrophobicContact CG1-CB 4.15Å; V286-L324 HydrophobicContact CB-CD2 4.26Å; V286-L324 HydrophobicContact CG1-CD2 4.34Å; V286-L532 HydrophobicContact CB-CD2 4.08Å; V286-L532 HydrophobicContact CG2-CD2 3.52Å
287	S	96.1	Very high	96.9	Very high	3 Å²	3	34 Å²	34	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	151.3	179.6	64.3	0	0	0	0	112.9	L269 T270 A289 T290 A291 C535	L269-S287 WeakPolarHBondContact O-CB 3.11Å; T270-S287 CarbonylContact O-C 3.43Å; T270-S287 WeakPolarHBondContact O-CA 3.39Å; S287-A289 PolarHBondContact O-N 2.9Å; S287-T290 PolarHBondContact O-N 2.94Å; S287-T290 VanDerWaalsContact O-N 3.14Å; S287-T290 WeakPolarHBondContact OG-CB 3.32Å; S287-T290 PolarHBondContact OG-N 3.34Å; S287-T290 PolarHBondContact OG-OG1 2.88Å; S287-A291 PolarHBondContact O-N 3.03Å; S287-C535 PolarHBondContact OG-SG 3.3Å
288	K	96.1	Very high	97.1	Very high	68 Å²	68	33.7 Å²	33.7	30%	0.296	17%	0.173	S	C	.	.	H	α-helix	trans	-50.1	-43.3	173.4	-73.9	177.1	-170.6	168.1	0	111.5	E180 P267 Q268 T270 L272 G292	E180-K288 IonicContact OE1-NZ 3.39Å; E180-K288 PolarHBondContact OE1-NZ 3.28Å; P267-K288 WeakPolarHBondContact O-CD 3.41Å; Q268-K288 PolarHBondContact O-N 3.09Å; T270-K288 WeakPolarHBondContact O-CG 3.15Å; T270-K288 PolarHBondContact O-N 3.17Å; L272-K288 HydrophobicContact CD1-CG 3.88Å; L272-K288 HydrophobicContact CD2-CD 4.39Å; L272-K288 HydrophobicContact CD2-CG 3.81Å; L272-K288 HydrophobicContact CG-CG 3.67Å; K288-G292 PolarHBondContact O-N 3.34Å
289	A	96.3	Very high	97.3	Very high	28 Å²	28	35 Å²	35	23%	0.231	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-50.6	177.3	0	0	0	0	0	113	Q268 S287 G292 K293	Q268-A289 HydrophobicContact CB-CB 4.06Å; Q268-A289 VanDerWaalsContact O-CB 3.29Å; Q268-A289 WeakPolarHBondContact O-CB 3.28Å; Q268-A289 PolarHBondContact O-N 3.34Å; S287-A289 PolarHBondContact O-N 2.9Å; A289-G292 PolarHBondContact O-N 3.25Å; A289-K293 PolarHBondContact O-N 3.09Å
290	T	97.8	Very high	97.6	Very high	15 Å²	15	31.6 Å²	31.6	9%	0.092	15%	0.154	C	C	.	.	H	α-helix	trans	-67.8	-42.2	-176.8	-67.1	0	0	0	0	110.7	V286 S287 G292 K293 I294 L531 L532 C535	V286-T290 HydrophobicContact CG2-CG2 3.45Å; V286-T290 VanDerWaalsContact CG2-CG2 3.45Å; S287-T290 PolarHBondContact O-N 2.94Å; S287-T290 VanDerWaalsContact O-N 3.14Å; S287-T290 WeakPolarHBondContact OG-CB 3.32Å; S287-T290 PolarHBondContact OG-N 3.34Å; S287-T290 PolarHBondContact OG-OG1 2.88Å; T290-G292 VanDerWaalsContact C-N 3.31Å; T290-G292 PolarHBondContact O-N 3.12Å; T290-K293 PolarHBondContact O-N 2.96Å; T290-I294 HydrophobicContact CG2-CD1 4.05Å; T290-I294 WeakPolarHBondContact O-CG1 3.4Å; T290-I294 PolarHBondContact O-N 2.76Å; T290-L531 HydrophobicContact CG2-CB 4.06Å; T290-L532 HydrophobicContact CG2-CD2 4.04Å; T290-C535 HydrophobicContact CG2-CB 4.03Å; T290-C535 WeakPolarHBondContact OG1-CB 2.97Å
291	A	98.3	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-42.5	172.9	0	0	0	0	0	111.5	L272 F274 V286 S287 K293 I294 R295 L320	L272-A291 HydrophobicContact CD1-CB 4.33Å; F274-A291 HydrophobicContact CE2-CB 4.29Å; F274-A291 HydrophobicContact CZ-CB 4.29Å; V286-A291 HydrophobicContact CG1-CB 4.15Å; S287-A291 PolarHBondContact O-N 3.03Å; A291-K293 PolarHBondContact O-N 3.24Å; A291-I294 PolarHBondContact O-N 2.96Å; A291-R295 WeakPolarHBondContact O-CB 3.42Å; A291-R295 WeakPolarHBondContact O-CG 3.05Å; A291-R295 PolarHBondContact O-N 3.2Å; A291-L320 HydrophobicContact CB-CD2 4.15Å
292	G	98.3	Very high	97.8	Very high	33 Å²	33	29.6 Å²	29.6	34%	0.34	15%	0.147	S	C	.	.	H	α-helix	trans	-59.7	-44.1	175.5	0	0	0	0	0	113.3	K288 A289 T290 R295 Q296	K288-G292 PolarHBondContact O-N 3.34Å; A289-G292 PolarHBondContact O-N 3.25Å; T290-G292 VanDerWaalsContact C-N 3.31Å; T290-G292 PolarHBondContact O-N 3.12Å; G292-R295 PolarHBondContact O-N 3.33Å; G292-Q296 PolarHBondContact O-N 2.94Å
293	K	98.6	Very high	97.7	Very high	73 Å²	73	31.7 Å²	31.7	32%	0.317	16%	0.159	S	C	.	.	H	α-helix	trans	-63.1	-44.1	175.1	-73.4	-174	173.2	-160.8	0	112.2	A289 T290 A291 Q296 L297 L531 I613	A289-K293 PolarHBondContact O-N 3.09Å; T290-K293 PolarHBondContact O-N 2.96Å; A291-K293 PolarHBondContact O-N 3.24Å; K293-Q296 WeakPolarHBondContact O-CA 3.42Å; K293-Q296 WeakPolarHBondContact O-CB 3.44Å; K293-Q296 PolarHBondContact O-N 2.65Å; K293-Q296 VanDerWaalsContact O-N 3.08Å; K293-L297 WeakPolarHBondContact O-CG 3.29Å; K293-L297 PolarHBondContact O-N 3.2Å; K293-L531 HydrophobicContact CB-CD1 3.78Å; K293-L531 HydrophobicContact CD-CD1 4.42Å; K293-L531 HydrophobicContact CD-CD2 3.71Å; K293-I613 HydrophobicContact CB-CG2 4.08Å; K293-I613 HydrophobicContact CG-CG2 4.26Å; K293-I613 PolarHBondContact NZ-O 3.11Å
294	I	98.8	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.9	-41.4	178.6	-65	169.1	0	0	0	110.9	T290 A291 Q296 L297 E298 L319 L320 L531 L532	T290-I294 HydrophobicContact CG2-CD1 4.05Å; T290-I294 WeakPolarHBondContact O-CG1 3.4Å; T290-I294 PolarHBondContact O-N 2.76Å; A291-I294 PolarHBondContact O-N 2.96Å; I294-Q296 PolarHBondContact O-N 3.35Å; I294-L297 WeakPolarHBondContact O-CB 3.44Å; I294-L297 PolarHBondContact O-N 3.46Å; I294-L297 VanDerWaalsContact O-N 3.12Å; I294-E298 PolarHBondContact O-N 2.7Å; I294-L319 HydrophobicContact CG2-CD2 4.03Å; I294-L319 HydrophobicContact CG2-CG 4.01Å; I294-L320 HydrophobicContact CB-CD1 4.2Å; I294-L320 HydrophobicContact CD1-CD1 3.72Å; I294-L320 HydrophobicContact CG2-CB 3.98Å; I294-L320 HydrophobicContact CG2-CD1 4.1Å; I294-L531 HydrophobicContact CG1-CB 4.46Å; I294-L531 HydrophobicContact CG1-CD1 4.03Å; I294-L532 HydrophobicContact CD1-CD2 4Å; I294-L532 HydrophobicContact CD1-CG 3.96Å
295	R	98.6	Very high	97.2	Very high	60 Å²	60	35.4 Å²	35.4	23%	0.226	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-33.7	171.2	-75.2	168.8	173.3	159.8	-1.8	112.6	A291 G292 E298 R299 D317	A291-R295 WeakPolarHBondContact O-CB 3.42Å; A291-R295 WeakPolarHBondContact O-CG 3.05Å; A291-R295 PolarHBondContact O-N 3.2Å; G292-R295 PolarHBondContact O-N 3.33Å; R295-E298 PolarHBondContact O-N 3.48Å; R295-R299 WeakPolarHBondContact O-CG 3.24Å; R295-R299 PolarHBondContact O-N 2.91Å; R295-R299 VanDerWaalsContact O-N 3.09Å; R295-D317 WeakPolarHBondContact CG-OD1 3.4Å; R295-D317 IonicContact CZ-OD1 3.74Å; R295-D317 IonicContact CZ-OD2 3.25Å; R295-D317 IonicContact NE-OD1 2.64Å; R295-D317 PolarHBondContact NE-OD1 3.25Å; R295-D317 IonicContact NE-OD2 2.73Å; R295-D317 PolarHBondContact NE-OD2 3.36Å; R295-D317 IonicContact NH2-OD1 3.17Å; R295-D317 PolarHBondContact NH2-OD1 3.33Å; R295-D317 IonicContact NH2-OD2 3.34Å; R295-D317 PolarHBondContact NH2-OD2 3.02Å
296	Q	98.6	Very high	96.7	Very high	84 Å²	84	36 Å²	36	39%	0.393	19%	0.191	S	C	.	.	H	α-helix	trans	-70.6	-40.7	174.7	-171.2	175.5	7.7	0	0	111.8	G292 K293 I294 E298 R299 I300 I613	G292-Q296 PolarHBondContact O-N 2.94Å; K293-Q296 WeakPolarHBondContact O-CA 3.42Å; K293-Q296 WeakPolarHBondContact O-CB 3.44Å; K293-Q296 PolarHBondContact O-N 2.65Å; K293-Q296 VanDerWaalsContact O-N 3.08Å; I294-Q296 PolarHBondContact O-N 3.35Å; Q296-E298 VanDerWaalsContact C-N 3.3Å; Q296-E298 PolarHBondContact O-N 2.66Å; Q296-R299 PolarHBondContact O-N 2.92Å; Q296-I300 HydrophobicContact CG-CD1 4.21Å; Q296-I300 VanDerWaalsContact O-CG1 3.31Å; Q296-I300 WeakPolarHBondContact O-CG1 3.2Å; Q296-I300 PolarHBondContact O-N 3.26Å; Q296-I613 HydrophobicContact CB-CG2 4.23Å; Q296-I613 HydrophobicContact CG-CD1 4.23Å; Q296-I613 HydrophobicContact CG-CG1 4.12Å; Q296-I613 HydrophobicContact CG-CG2 4.33Å
297	L	98.8	Very high	96.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58	-44.9	171.1	-60.5	175.6	0	0	0	110.7	K293 I294 R299 I300 I301 L319 A524 C527 L531 L610 I613	K293-L297 WeakPolarHBondContact O-CG 3.29Å; K293-L297 PolarHBondContact O-N 3.2Å; I294-L297 WeakPolarHBondContact O-CB 3.44Å; I294-L297 PolarHBondContact O-N 3.46Å; I294-L297 VanDerWaalsContact O-N 3.12Å; L297-R299 VanDerWaalsContact C-N 3.33Å; L297-R299 PolarHBondContact O-N 3.44Å; L297-I300 PolarHBondContact O-N 2.94Å; L297-I300 VanDerWaalsContact O-N 3.14Å; L297-I301 PolarHBondContact O-N 3.25Å; L297-L319 HydrophobicContact CB-CD2 3.95Å; L297-A524 HydrophobicContact CB-CB 4.22Å; L297-C527 HydrophobicContact CD1-CB 3.61Å; L297-C527 HydrophobicContact CD2-CB 4.44Å; L297-L531 HydrophobicContact CD1-CD1 3.83Å; L297-L610 HydrophobicContact CB-CD2 4.26Å; L297-L610 HydrophobicContact CD2-CB 4.19Å; L297-L610 HydrophobicContact CD2-CD2 3.66Å; L297-I613 HydrophobicContact CD2-CB 3.87Å; L297-I613 HydrophobicContact CD2-CG1 4.5Å; L297-I613 HydrophobicContact CD2-CG2 3.98Å; L297-I613 HydrophobicContact CG-CG2 4.31Å
298	E	98.4	Very high	95.8	Very high	7 Å²	7	47 Å²	47	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-40.1	178.9	-159.9	-177.8	-128.2	0	0	112.6	I294 R295 Q296 I301 G302 F314 D317 E318 L319	I294-E298 PolarHBondContact O-N 2.7Å; R295-E298 PolarHBondContact O-N 3.48Å; Q296-E298 VanDerWaalsContact C-N 3.3Å; Q296-E298 PolarHBondContact O-N 2.66Å; E298-I301 WeakPolarHBondContact O-CG1 3.36Å; E298-G302 PolarHBondContact O-N 3.4Å; E298-F314 HydrophobicContact CG-CE2 3.87Å; E298-D317 WeakPolarHBondContact OE1-CA 3.5Å; E298-D317 PolarHBondContact OE1-N 3.15Å; E298-D317 PolarHBondContact OE2-N 3.22Å; E298-E318 PolarHBondContact OE1-N 3.48Å; E298-L319 HydrophobicContact CB-CB 4.03Å; E298-L319 HydrophobicContact CB-CD2 3.82Å; E298-L319 HydrophobicContact CG-CB 3.67Å; E298-L319 HydrophobicContact CG-CD2 4.3Å; E298-L319 WeakPolarHBondContact OE1-CB 3.47Å; E298-L319 PolarHBondContact OE1-N 2.73Å
299	R	98.1	Very high	95.5	Very high	163 Å²	163	45.2 Å²	45.2	62%	0.615	24%	0.241	S	C	*	.	H	α-helix	trans	-67.7	-41.3	174.1	-69.4	173.5	-159.8	147.1	3.2	112.4	R295 Q296 L297 G302	R295-R299 WeakPolarHBondContact O-CG 3.24Å; R295-R299 PolarHBondContact O-N 2.91Å; R295-R299 VanDerWaalsContact O-N 3.09Å; Q296-R299 PolarHBondContact O-N 2.92Å; L297-R299 VanDerWaalsContact C-N 3.33Å; L297-R299 PolarHBondContact O-N 3.44Å; R299-G302 PolarHBondContact O-N 3.15Å
300	I	98.1	Very high	95.3	Very high	16 Å²	16	44 Å²	44	8%	0.082	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-44.4	-178.2	-73.4	167.1	0	0	0	111	Q296 L297 G302 D303 M606 R609 L610 I613	Q296-I300 HydrophobicContact CG-CD1 4.21Å; Q296-I300 VanDerWaalsContact O-CG1 3.31Å; Q296-I300 WeakPolarHBondContact O-CG1 3.2Å; Q296-I300 PolarHBondContact O-N 3.26Å; L297-I300 PolarHBondContact O-N 2.94Å; L297-I300 VanDerWaalsContact O-N 3.14Å; I300-G302 PolarHBondContact O-N 3.3Å; I300-D303 WeakPolarHBondContact O-CB 3.46Å; I300-D303 VanDerWaalsContact O-CG 3.3Å; I300-D303 PolarHBondContact O-N 2.65Å; I300-D303 VanDerWaalsContact O-N 3.16Å; I300-M606 HydrophobicContact CG2-CE 4.23Å; I300-M606 HydrophobicContact CG2-SD 3.37Å; I300-M606 WeakPolarHBondContact CG2-SD 3.24Å; I300-M606 VanDerWaalsContact O-CE 3.32Å; I300-M606 WeakPolarHBondContact O-CE 3.3Å; I300-R609 HydrophobicContact CG2-CB 4.38Å; I300-L610 HydrophobicContact CB-CD2 4.14Å; I300-L610 HydrophobicContact CG2-CD2 3.7Å; I300-L610 HydrophobicContact CG2-CG 4.32Å; I300-I613 HydrophobicContact CD1-CD1 4.46Å; I300-I613 HydrophobicContact CD1-CG1 3.66Å
301	I	98.1	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-69.3	-18.3	178.1	64.5	177.7	0	0	0	112.9	L297 E298 D303 L319 V513 A515 G516 W520 A521 A524 L610	L297-I301 PolarHBondContact O-N 3.25Å; E298-I301 WeakPolarHBondContact O-CG1 3.36Å; I301-D303 PolarHBondContact O-N 2.84Å; I301-L319 HydrophobicContact CD1-CD2 4.26Å; I301-V513 HydrophobicContact CD1-CG1 4.02Å; I301-A515 HydrophobicContact CB-CB 3.92Å; I301-A515 HydrophobicContact CD1-CB 4.2Å; I301-A515 HydrophobicContact CG1-CB 4.11Å; I301-A515 CarbonylContact O-C 3.5Å; I301-A515 VanDerWaalsContact O-CA 3.3Å; I301-A515 WeakPolarHBondContact O-CA 3.47Å; I301-A515 WeakPolarHBondContact O-CB 3.44Å; I301-G516 PolarHBondContact O-N 3.37Å; I301-W520 HydrophobicContact CB-CB 4.19Å; I301-W520 HydrophobicContact CG2-CB 3.97Å; I301-W520 WeakPolarHBondContact CG2-O 3.48Å; I301-A521 HydrophobicContact CD1-CB 3.98Å; I301-A524 HydrophobicContact CD1-CB 4.03Å; I301-A524 HydrophobicContact CG2-CB 3.58Å; I301-L610 HydrophobicContact CG2-CD1 4.27Å; I301-L610 HydrophobicContact CG2-CD2 3.88Å
302	G	96.8	Very high	94.7	Very high	22 Å²	22	48.9 Å²	48.9	23%	0.227	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.8	173.3	0	0	0	0	0	114.3	E298 R299 I300 D304	E298-G302 PolarHBondContact O-N 3.4Å; R299-G302 PolarHBondContact O-N 3.15Å; I300-G302 PolarHBondContact O-N 3.3Å; G302-D304 PolarHBondContact O-N 3.14Å
303	D	96.4	Very high	94.5	Very high	61 Å²	61	47.3 Å²	47.3	33%	0.326	26%	0.256	S	S	.	.			trans	-56.9	137.1	169.9	-75.4	-9.4	0	0	0	109.9	I300 I301 P305 G516 W520 M606 R609	I300-D303 WeakPolarHBondContact O-CB 3.46Å; I300-D303 VanDerWaalsContact O-CG 3.3Å; I300-D303 PolarHBondContact O-N 2.65Å; I300-D303 VanDerWaalsContact O-N 3.16Å; I301-D303 PolarHBondContact O-N 2.84Å; D303-P305 VanDerWaalsContact C-CD 3.48Å; D303-P305 WeakPolarHBondContact O-CD 3.48Å; D303-G516 WeakPolarHBondContact O-CA 3.49Å; D303-W520 WeakPolarHBondContact O-CZ3 3.29Å; D303-M606 HydrophobicContact CB-CE 4.12Å; D303-R609 IonicContact OD2-CZ 3.45Å; D303-R609 IonicContact OD2-NH1 3.32Å; D303-R609 PolarHBondContact OD2-NH1 3.27Å; D303-R609 IonicContact OD2-NH2 3.8Å; D303-R609 PolarHBondContact OD2-NH2 3.2Å
304	D	93.3	Very high	94.4	Very high	39 Å²	39	47 Å²	47	21%	0.209	26%	0.255	C	S	.	.			trans	-129.6	67.2	-171.1	-172	6	0	0	0	111.8	G302 G306 Q307 R308 G309 I310	G302-D304 PolarHBondContact O-N 3.14Å; D304-G306 PolarHBondContact O-N 3.43Å; D304-Q307 PolarHBondContact O-N 2.97Å; D304-Q307 VanDerWaalsContact O-N 3.07Å; D304-Q307 WeakPolarHBondContact OD1-CA 3.27Å; D304-Q307 PolarHBondContact OD1-N 3Å; D304-R308 VanDerWaalsContact CG-N 3.28Å; D304-R308 PolarHBondContact OD1-N 3.02Å; D304-R308 PolarHBondContact OD2-N 3.03Å; D304-G309 PolarHBondContact OD2-N 3.4Å; D304-I310 HydrophobicContact CB-CG2 3.8Å; D304-I310 PolarHBondContact OD2-N 3.16Å
305	P	92.4	Very high	94.2	Very high	70 Å²	70	49.3 Å²	49.3	46%	0.455	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.4	175.7	27.8	-34.1	0	0	0	112.1	D303 Q307 W520 L597 T602	D303-P305 VanDerWaalsContact C-CD 3.48Å; D303-P305 WeakPolarHBondContact O-CD 3.48Å; P305-Q307 VanDerWaalsContact C-N 3.25Å; P305-Q307 PolarHBondContact O-N 3.05Å; P305-W520 HydrophobicContact CG-CH2 3.7Å; P305-W520 HydrophobicContact CG-CZ3 4.37Å; P305-L597 HydrophobicContact CB-CD2 4.35Å; P305-L597 HydrophobicContact CG-CD1 3.78Å; P305-L597 HydrophobicContact CG-CD2 4.37Å; P305-T602 HydrophobicContact CG-CG2 4.34Å
306	G	85.6	Confident	94.1	Very high	15 Å²	15	51.9 Å²	51.9	16%	0.155	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-11.4	174.8	0	0	0	0	0	114.4	D304 R308	D304-G306 PolarHBondContact O-N 3.43Å; G306-R308 VanDerWaalsContact C-N 3.29Å; G306-R308 PolarHBondContact O-N 3.26Å
307	Q	89.4	Confident	94	Very high	174 Å²	174	49.2 Å²	49.2	81%	0.813	27%	0.272	S	S	*	.			trans	52.6	42.7	-175.9	-57.7	-177.9	8.4	0	0	112.9	D304 P305 G309	D304-Q307 PolarHBondContact O-N 2.97Å; D304-Q307 VanDerWaalsContact O-N 3.07Å; D304-Q307 WeakPolarHBondContact OD1-CA 3.27Å; D304-Q307 PolarHBondContact OD1-N 3Å; P305-Q307 VanDerWaalsContact C-N 3.25Å; P305-Q307 PolarHBondContact O-N 3.05Å; Q307-G309 VanDerWaalsContact C-N 3.31Å
308	R	84.6	Confident	94	Very high	58 Å²	58	49.9 Å²	49.9	22%	0.219	28%	0.275	C	S	.	.			trans	-75.5	-19.3	178.8	-63.3	-174.7	-179.1	-144.3	-10.8	113.1	D304 G306 D479 D595	D304-R308 VanDerWaalsContact CG-N 3.28Å; D304-R308 PolarHBondContact OD1-N 3.02Å; D304-R308 PolarHBondContact OD2-N 3.03Å; G306-R308 VanDerWaalsContact C-N 3.29Å; G306-R308 PolarHBondContact O-N 3.26Å; R308-D479 IonicContact CZ-OD1 2.73Å; R308-D479 IonicContact CZ-OD2 3.9Å; R308-D479 IonicContact NE-OD2 3.45Å; R308-D479 IonicContact NH1-OD1 2.64Å; R308-D479 PolarHBondContact NH1-OD1 2.92Å; R308-D479 IonicContact NH1-OD2 3.53Å; R308-D479 PolarHBondContact NH1-OD2 3.27Å; R308-D595 IonicContact CZ-OD1 2.77Å; R308-D595 IonicContact NH1-OD1 2.78Å; R308-D595 PolarHBondContact NH1-OD1 3.23Å; R308-D595 IonicContact NH1-OD2 2.81Å; R308-D595 IonicContact NH2-OD1 3.86Å; R308-D595 PolarHBondContact NH2-OD1 2.93Å; R308-D595 IonicContact NH2-OD2 3.19Å
309	G	90.4	Very high	94	Very high	31 Å²	31	49.5 Å²	49.5	32%	0.32	27%	0.273	S	S	.	.			trans	87.3	20.2	-174.6	0	0	0	0	0	113.3	D304 Q307 A311 A312	D304-G309 PolarHBondContact OD2-N 3.4Å; Q307-G309 VanDerWaalsContact C-N 3.31Å; G309-A311 PolarHBondContact O-N 3.46Å; G309-A311 VanDerWaalsContact O-N 3.12Å; G309-A312 VanDerWaalsContact O-CB 3.31Å; G309-A312 WeakPolarHBondContact O-CB 3.4Å; G309-A312 PolarHBondContact O-N 3.3Å
310	I	91.9	Very high	94.1	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-60.2	-30	-171.1	-165.2	64	0	0	0	113.5	D304 A312 L313 F314 D479 T514 A515	D304-I310 HydrophobicContact CB-CG2 3.8Å; D304-I310 PolarHBondContact OD2-N 3.16Å; I310-A312 PolarHBondContact O-N 2.62Å; I310-L313 HydrophobicContact CD1-CB 4.31Å; I310-L313 HydrophobicContact CD1-CD1 4.04Å; I310-L313 HydrophobicContact CD1-CG 4.47Å; I310-L313 PolarHBondContact O-N 2.95Å; I310-F314 PolarHBondContact O-N 2.89Å; I310-D479 WeakPolarHBondContact CD1-O 3.23Å; I310-T514 HydrophobicContact CD1-CG2 4.38Å; I310-A515 WeakPolarHBondContact CG1-O 3.33Å
311	A	91.4	Very high	94.1	Very high	78 Å²	78	43.6 Å²	43.6	65%	0.645	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-55.1	-25.9	177.2	0	0	0	0	0	112.6	G309 F314	G309-A311 PolarHBondContact O-N 3.46Å; G309-A311 VanDerWaalsContact O-N 3.12Å; A311-F314 WeakPolarHBondContact O-CB 3.5Å
312	A	91.6	Very high	94.1	Very high	40 Å²	40	43.6 Å²	43.6	33%	0.331	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-72.5	-30.6	177.4	0	0	0	0	0	112.5	G309 I310 K492 L496	G309-A312 VanDerWaalsContact O-CB 3.31Å; G309-A312 WeakPolarHBondContact O-CB 3.4Å; G309-A312 PolarHBondContact O-N 3.3Å; I310-A312 PolarHBondContact O-N 2.62Å; A312-K492 WeakPolarHBondContact O-CD 3.16Å; A312-K492 PolarHBondContact O-NZ 2.65Å; A312-L496 HydrophobicContact CB-CB 4.37Å; A312-L496 HydrophobicContact CB-CD1 3.63Å
313	L	94.9	Very high	94.2	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.6	178.4	-55.9	-170.3	0	0	0	112.8	I310 V315 K492 V493 M497 T514	I310-L313 HydrophobicContact CD1-CB 4.31Å; I310-L313 HydrophobicContact CD1-CD1 4.04Å; I310-L313 HydrophobicContact CD1-CG 4.47Å; I310-L313 PolarHBondContact O-N 2.95Å; L313-V315 PolarHBondContact O-N 3.09Å; L313-K492 HydrophobicContact CD2-CB 3.72Å; L313-V493 HydrophobicContact CD1-CG2 3.89Å; L313-V493 HydrophobicContact CD2-CG2 3.78Å; L313-M497 HydrophobicContact CD1-CG 4.08Å; L313-M497 HydrophobicContact CD1-SD 3.96Å; L313-M497 HydrophobicContact CD2-CG 4.11Å; L313-M497 HydrophobicContact CD2-SD 4.38Å; L313-M497 HydrophobicContact CG-CG 4.4Å; L313-M497 HydrophobicContact CG-SD 4.14Å; L313-T514 HydrophobicContact CB-CG2 3.81Å
314	F	95.5	Very high	94.3	Very high	66 Å²	66	39.7 Å²	39.7	29%	0.289	22%	0.224	S	C	.	.			trans	-48.7	131.7	-179.4	180	-99.3	0	0	0	113.1	E298 I310 A311 Q316 K492	E298-F314 HydrophobicContact CG-CE2 3.87Å; I310-F314 PolarHBondContact O-N 2.89Å; A311-F314 WeakPolarHBondContact O-CB 3.5Å; F314-Q316 HydrophobicContact CE1-CB 3.89Å; F314-Q316 HydrophobicContact CE1-CG 4.48Å; F314-Q316 HydrophobicContact CZ-CB 4.11Å; F314-Q316 HydrophobicContact CZ-CG 4.39Å; F314-K492 PolarHBondContact O-NZ 2.73Å
315	V	96.2	Very high	94.5	Very high	48 Å²	48	37.9 Å²	37.9	29%	0.291	22%	0.215	S	C	.	.			trans	-127.8	124.8	167.9	179	0	0	0	0	106.5	L313 E318 V489	L313-V315 PolarHBondContact O-N 3.09Å; V315-E318 HydrophobicContact CB-CG 3.68Å; V315-E318 HydrophobicContact CG1-CG 3.79Å; V315-E318 WeakPolarHBondContact O-CG 3.15Å; V315-V489 HydrophobicContact CG2-CG1 3.94Å
316	Q	95.8	Very high	94.8	Very high	115 Å²	115	34.6 Å²	34.6	54%	0.537	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	142.6	-175.7	-170.9	-173.6	-51.2	0	0	111.2	F314 E318	F314-Q316 HydrophobicContact CE1-CB 3.89Å; F314-Q316 HydrophobicContact CE1-CG 4.48Å; F314-Q316 HydrophobicContact CZ-CB 4.11Å; F314-Q316 HydrophobicContact CZ-CG 4.39Å; Q316-E318 VanDerWaalsContact C-N 3.25Å; Q316-E318 PolarHBondContact O-N 3.36Å
317	D	97.5	Very high	95.4	Very high	27 Å²	27	34.1 Å²	34.1	14%	0.144	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	10.9	173.5	-64.3	-42.8	0	0	0	115.2	R295 E298 L320 R321	R295-D317 WeakPolarHBondContact CG-OD1 3.4Å; R295-D317 IonicContact CZ-OD1 3.74Å; R295-D317 IonicContact CZ-OD2 3.25Å; R295-D317 IonicContact NE-OD1 2.64Å; R295-D317 PolarHBondContact NE-OD1 3.25Å; R295-D317 IonicContact NE-OD2 2.73Å; R295-D317 PolarHBondContact NE-OD2 3.36Å; R295-D317 IonicContact NH2-OD1 3.17Å; R295-D317 PolarHBondContact NH2-OD1 3.33Å; R295-D317 IonicContact NH2-OD2 3.34Å; R295-D317 PolarHBondContact NH2-OD2 3.02Å; E298-D317 WeakPolarHBondContact OE1-CA 3.5Å; E298-D317 PolarHBondContact OE1-N 3.15Å; E298-D317 PolarHBondContact OE2-N 3.22Å; D317-L320 HydrophobicContact CB-CB 4.22Å; D317-L320 HydrophobicContact CB-CD2 4.48Å; D317-L320 PolarHBondContact O-N 3.17Å; D317-R321 WeakPolarHBondContact O-CB 3.4Å; D317-R321 PolarHBondContact O-N 2.78Å
318	E	98.1	Very high	95.8	Very high	14 Å²	14	28 Å²	28	7%	0.065	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-40	172.3	-70	-66.1	136.5	0	0	111.6	E298 V315 Q316 C322 K488 C511 A512 V513	E298-E318 PolarHBondContact OE1-N 3.48Å; V315-E318 HydrophobicContact CB-CG 3.68Å; V315-E318 HydrophobicContact CG1-CG 3.79Å; V315-E318 WeakPolarHBondContact O-CG 3.15Å; Q316-E318 VanDerWaalsContact C-N 3.25Å; Q316-E318 PolarHBondContact O-N 3.36Å; E318-C322 WeakPolarHBondContact O-CB 3.38Å; E318-C322 PolarHBondContact O-N 3.4Å; E318-K488 WeakPolarHBondContact OE1-CE 3.45Å; E318-K488 IonicContact OE1-NZ 2.65Å; E318-K488 PolarHBondContact OE1-NZ 3.01Å; E318-K488 IonicContact OE2-NZ 3.41Å; E318-K488 PolarHBondContact OE2-NZ 3.12Å; E318-C511 WeakPolarHBondContact OE2-CA 3.18Å; E318-A512 WeakPolarHBondContact CB-O 3.38Å; E318-A512 WeakPolarHBondContact CG-O 3.33Å; E318-A512 PolarHBondContact OE2-N 2.9Å; E318-V513 HydrophobicContact CB-CG2 4.42Å
319	L	98.8	Very high	96.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-42.7	172.6	178.6	67.5	0	0	0	110.9	I294 L297 E298 I301 C322 C323 V513 A524 V525	I294-L319 HydrophobicContact CG2-CD2 4.03Å; I294-L319 HydrophobicContact CG2-CG 4.01Å; L297-L319 HydrophobicContact CB-CD2 3.95Å; E298-L319 HydrophobicContact CB-CB 4.03Å; E298-L319 HydrophobicContact CB-CD2 3.82Å; E298-L319 HydrophobicContact CG-CB 3.67Å; E298-L319 HydrophobicContact CG-CD2 4.3Å; E298-L319 WeakPolarHBondContact OE1-CB 3.47Å; E298-L319 PolarHBondContact OE1-N 2.73Å; I301-L319 HydrophobicContact CD1-CD2 4.26Å; L319-C322 PolarHBondContact O-N 3.32Å; L319-C323 WeakPolarHBondContact O-CB 3.32Å; L319-C323 PolarHBondContact O-N 2.91Å; L319-C323 PolarHBondContact O-SG 3.06Å; L319-V513 HydrophobicContact CB-CG1 4.28Å; L319-V513 HydrophobicContact CD1-CG1 4.27Å; L319-A524 HydrophobicContact CD1-CB 4.2Å; L319-A524 HydrophobicContact CD2-CB 3.87Å; L319-V525 HydrophobicContact CD1-CB 4.46Å; L319-V525 HydrophobicContact CD1-CG2 3.57Å
320	L	98.7	Very high	96.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-47.8	179	176.6	59.5	0	0	0	111	F274 A291 I294 D317 C323 L324	F274-L320 HydrophobicContact CD1-CD2 4.08Å; F274-L320 HydrophobicContact CD2-CD2 4.37Å; F274-L320 HydrophobicContact CE1-CD2 3.63Å; F274-L320 HydrophobicContact CE2-CD2 3.93Å; F274-L320 HydrophobicContact CG-CD2 4.43Å; F274-L320 HydrophobicContact CZ-CD2 3.54Å; A291-L320 HydrophobicContact CB-CD2 4.15Å; I294-L320 HydrophobicContact CB-CD1 4.2Å; I294-L320 HydrophobicContact CD1-CD1 3.72Å; I294-L320 HydrophobicContact CG2-CB 3.98Å; I294-L320 HydrophobicContact CG2-CD1 4.1Å; D317-L320 HydrophobicContact CB-CB 4.22Å; D317-L320 HydrophobicContact CB-CD2 4.48Å; D317-L320 PolarHBondContact O-N 3.17Å; L320-C323 PolarHBondContact O-N 2.78Å; L320-L324 HydrophobicContact CD1-CD1 4.07Å; L320-L324 HydrophobicContact CD1-CG 4.19Å; L320-L324 HydrophobicContact CG-CD1 4.03Å; L320-L324 WeakPolarHBondContact O-CB 3.41Å; L320-L324 VanDerWaalsContact O-CG 3.28Å; L320-L324 WeakPolarHBondContact O-CG 3.39Å; L320-L324 PolarHBondContact O-N 3.31Å
321	R	98.3	Very high	97.1	Very high	53 Å²	53	27.7 Å²	27.7	20%	0.2	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-43	177.4	-170	180	176.4	175.2	-5.6	111.5	V276 D317 L324 A325	V276-R321 PolarHBondContact O-NE 2.96Å; V276-R321 PolarHBondContact O-NH2 2.91Å; D317-R321 WeakPolarHBondContact O-CB 3.4Å; D317-R321 PolarHBondContact O-N 2.78Å; R321-L324 PolarHBondContact O-N 2.9Å; R321-A325 WeakPolarHBondContact O-CB 3.29Å; R321-A325 PolarHBondContact O-N 2.75Å
322	C	98.6	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-50.6	173.4	173.5	0	0	0	0	111.6	E318 L319 L324 A325 L326 T475 C511 V513	E318-C322 WeakPolarHBondContact O-CB 3.38Å; E318-C322 PolarHBondContact O-N 3.4Å; L319-C322 PolarHBondContact O-N 3.32Å; C322-L324 VanDerWaalsContact C-N 3.34Å; C322-L324 PolarHBondContact O-N 3.2Å; C322-A325 PolarHBondContact O-N 2.88Å; C322-L326 WeakPolarHBondContact O-CB 3.39Å; C322-L326 WeakPolarHBondContact O-CG 3.46Å; C322-L326 PolarHBondContact O-N 2.91Å; C322-T475 HydrophobicContact CB-CG2 4.28Å; C322-C511 HydrophobicContact CB-CB 4.15Å; C322-V513 HydrophobicContact CB-CG2 4.01Å
323	C	98.8	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-39.9	179.5	-67.9	0	0	0	0	112.3	L319 L320 S327 L532	L319-C323 WeakPolarHBondContact O-CB 3.32Å; L319-C323 PolarHBondContact O-N 2.91Å; L319-C323 PolarHBondContact O-SG 3.06Å; L320-C323 PolarHBondContact O-N 2.78Å; C323-S327 WeakPolarHBondContact O-CB 3.39Å; C323-S327 PolarHBondContact O-N 3.19Å; C323-L532 VanDerWaalsContact C-CD1 3.43Å; C323-L532 HydrophobicContact CB-CD1 3.69Å; C323-L532 VanDerWaalsContact O-CD1 3.29Å; C323-L532 WeakPolarHBondContact O-CD1 3.31Å
324	L	98.7	Very high	98	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-65.7	-45.7	175.8	-70	169.5	0	0	0	111.1	F274 V276 V286 L320 R321 C322 L326 S327 H328 L532	F274-L324 HydrophobicContact CB-CD1 3.65Å; F274-L324 HydrophobicContact CD2-CD1 4.1Å; F274-L324 HydrophobicContact CG-CD1 4.02Å; V276-L324 HydrophobicContact CG2-CB 4.16Å; V286-L324 HydrophobicContact CB-CD2 4.26Å; V286-L324 HydrophobicContact CG1-CD2 4.34Å; L320-L324 HydrophobicContact CD1-CD1 4.07Å; L320-L324 HydrophobicContact CD1-CG 4.19Å; L320-L324 HydrophobicContact CG-CD1 4.03Å; L320-L324 WeakPolarHBondContact O-CB 3.41Å; L320-L324 VanDerWaalsContact O-CG 3.28Å; L320-L324 WeakPolarHBondContact O-CG 3.39Å; L320-L324 PolarHBondContact O-N 3.31Å; R321-L324 PolarHBondContact O-N 2.9Å; C322-L324 VanDerWaalsContact C-N 3.34Å; C322-L324 PolarHBondContact O-N 3.2Å; L324-L326 PolarHBondContact O-N 3.04Å; L324-S327 PolarHBondContact O-N 2.95Å; L324-S327 PolarHBondContact O-OG 2.73Å; L324-H328 PolarHBondContact O-CD2 3.17Å; L324-H328 PolarHBondContact O-N 3.29Å; L324-L532 HydrophobicContact CD2-CD1 3.99Å; L324-L532 HydrophobicContact CD2-CD2 3.79Å; L324-L532 HydrophobicContact CG-CD1 4.35Å
325	A	98.4	Very high	98.1	Very high	2 Å²	2	19.1 Å²	19.1	2%	0.017	10%	0.102	C	C	.	.	H	α-helix	trans	-59.2	-46.9	176.4	0	0	0	0	0	112	V276 R321 C322 S327 H328 S329 M473	V276-A325 HydrophobicContact CG1-CB 3.77Å; R321-A325 WeakPolarHBondContact O-CB 3.29Å; R321-A325 PolarHBondContact O-N 2.75Å; C322-A325 PolarHBondContact O-N 2.88Å; A325-S327 VanDerWaalsContact C-N 3.28Å; A325-S327 PolarHBondContact O-N 3.29Å; A325-H328 PolarHBondContact O-N 3.26Å; A325-S329 PolarHBondContact O-N 3.34Å; A325-S329 PolarHBondContact O-OG 3.2Å; A325-M473 HydrophobicContact CB-CE 3.88Å; A325-M473 HydrophobicContact CB-CG 4.21Å
326	L	98.7	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64	-31.4	176.5	-75.4	169.6	0	0	0	112.4	C322 L324 H328 S329 V332 L363 K368 H429 V431 V525 L529	C322-L326 WeakPolarHBondContact O-CB 3.39Å; C322-L326 WeakPolarHBondContact O-CG 3.46Å; C322-L326 PolarHBondContact O-N 2.91Å; L324-L326 PolarHBondContact O-N 3.04Å; L326-H328 VanDerWaalsContact C-N 3.34Å; L326-S329 WeakPolarHBondContact O-CB 3.18Å; L326-S329 PolarHBondContact O-N 3.47Å; L326-V332 HydrophobicContact CD2-CG1 3.86Å; L326-V332 HydrophobicContact CD2-CG2 3.88Å; L326-L363 HydrophobicContact CD2-CD2 4.36Å; L326-K368 VanDerWaalsContact O-CE 3.3Å; L326-K368 WeakPolarHBondContact O-CE 3.31Å; L326-K368 PolarHBondContact O-NZ 3.47Å; L326-H429 HydrophobicContact CD2-CB 4.14Å; L326-H429 VanDerWaalsContact CD2-ND1 3.3Å; L326-H429 WeakPolarHBondContact CD2-ND1 3.44Å; L326-H429 WeakPolarHBondContact CG-ND1 3.27Å; L326-V431 HydrophobicContact CD2-CG2 4.02Å; L326-V525 HydrophobicContact CD1-CG1 3.55Å; L326-L529 HydrophobicContact CB-CD2 3.82Å; L326-L529 HydrophobicContact CD1-CD1 4.46Å
327	S	98.2	Very high	98.1	Very high	6 Å²	6	12.1 Å²	12.1	4%	0.042	7%	0.069	C	C	.	.	H	α-helix	trans	-68.9	-32.7	178.6	80.7	0	0	0	0	112.7	C323 L324 A325 K368 H538	C323-S327 WeakPolarHBondContact O-CB 3.39Å; C323-S327 PolarHBondContact O-N 3.19Å; L324-S327 PolarHBondContact O-N 2.95Å; L324-S327 PolarHBondContact O-OG 2.73Å; A325-S327 VanDerWaalsContact C-N 3.28Å; A325-S327 PolarHBondContact O-N 3.29Å; S327-K368 PolarHBondContact O-NZ 2.89Å; S327-H538 WeakPolarHBondContact CB-NE2 3.44Å; S327-H538 PolarHBondContact OG-CE1 2.92Å; S327-H538 PolarHBondContact OG-NE2 2.86Å
328	H	97.3	Very high	98.1	Very high	45 Å²	45	11 Å²	11	21%	0.208	6%	0.063	C	C	.	.	H	α-helix	trans	-77.4	-18.7	171.7	-72.5	-81.3	0	0	0	113.9	S284 L324 A325 L326 Y541 L542	S284-H328 VanDerWaalsContact CB-NE2 3.28Å; S284-H328 WeakPolarHBondContact CB-NE2 3.29Å; S284-H328 PolarHBondContact OG-NE2 2.87Å; L324-H328 PolarHBondContact O-CD2 3.17Å; L324-H328 PolarHBondContact O-N 3.29Å; A325-H328 PolarHBondContact O-N 3.26Å; L326-H328 VanDerWaalsContact C-N 3.34Å; H328-Y541 AromaticContact CE1-CE1 3.77Å; H328-L542 WeakPolarHBondContact CE1-CD2 3.43Å; H328-L542 WeakPolarHBondContact ND1-CD2 3.43Å
329	S	97.6	Very high	97.9	Very high	7 Å²	7	10.4 Å²	10.4	5%	0.049	6%	0.06	C	C	.	.			trans	-77	141.2	-176.4	-61.6	0	0	0	0	113.2	A325 L326 K368	A325-S329 PolarHBondContact O-N 3.34Å; A325-S329 PolarHBondContact O-OG 3.2Å; L326-S329 WeakPolarHBondContact O-CB 3.18Å; L326-S329 PolarHBondContact O-N 3.47Å; S329-K368 PolarHBondContact O-NZ 2.76Å
330	S	97.4	Very high	97.6	Very high	77 Å²	77	10.8 Å²	10.8	54%	0.538	6%	0.062	S	C	.	.	S	Bend	trans	-103	-27.6	173.5	-61.3	0	0	0	0	112.7	R369 D428	S330-R369 PolarHBondContact O-N 3.24Å; S330-D428 VanDerWaalsContact CA-OD2 3.3Å; S330-D428 WeakPolarHBondContact CA-OD2 3.42Å; S330-D428 WeakPolarHBondContact CB-OD2 3.43Å; S330-D428 PolarHBondContact N-OD2 2.95Å
331	S	98.3	Very high	97.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.8	-177.9	-167.9	0	0	0	0	110.9	R369 R426 D428 H429	S331-R369 CarbonylContact C-O 3.23Å; S331-R369 WeakPolarHBondContact CA-O 3.28Å; S331-R369 VanDerWaalsContact CB-NH2 3.32Å; S331-R369 PolarHBondContact OG-NH1 3.34Å; S331-R369 PolarHBondContact OG-NH2 2.87Å; S331-R426 WeakPolarHBondContact CB-O 3.33Å; S331-R426 PolarHBondContact OG-O 3.21Å; S331-D428 PolarHBondContact N-OD2 3.29Å; S331-D428 PolarHBondContact O-N 3.34Å; S331-H429 PolarHBondContact O-N 3.38Å
332	V	98.8	Very high	96.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.5	-175.3	-174.8	0	0	0	0	109.9	L326 I334 L363 R369 V370 T371 H429 V431	L326-V332 HydrophobicContact CD2-CG1 3.86Å; L326-V332 HydrophobicContact CD2-CG2 3.88Å; V332-I334 HydrophobicContact CG1-CG1 4.03Å; V332-L363 HydrophobicContact CB-CD1 4.2Å; V332-L363 HydrophobicContact CG1-CD1 4.02Å; V332-L363 HydrophobicContact CG2-CD1 4.26Å; V332-L363 HydrophobicContact CG2-CD2 4.38Å; V332-R369 PolarHBondContact N-O 3.39Å; V332-V370 CarbonylContact O-C 3.26Å; V332-V370 WeakPolarHBondContact O-CA 3.49Å; V332-T371 PolarHBondContact O-N 3.1Å; V332-H429 WeakPolarHBondContact CA-O 3.5Å; V332-H429 HydrophobicContact CG1-CB 4.47Å; V332-H429 HydrophobicContact CG2-CB 4.38Å; V332-V431 HydrophobicContact CG1-CG2 4.02Å
333	A	98.8	Very high	96	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.5	167.1	0	0	0	0	0	109.4	T371 L373 F427 H429 L430 V431	A333-T371 CarbonylContact C-O 3.57Å; A333-T371 WeakPolarHBondContact CA-O 3.31Å; A333-L373 HydrophobicContact CB-CD1 3.92Å; A333-L373 HydrophobicContact CB-CG 4.13Å; A333-F427 HydrophobicContact CB-CD1 3.78Å; A333-F427 HydrophobicContact CB-CD2 4.44Å; A333-F427 HydrophobicContact CB-CE1 3.92Å; A333-F427 HydrophobicContact CB-CG 4.05Å; A333-F427 HydrophobicContact CB-CZ 4.31Å; A333-H429 PolarHBondContact N-O 3.29Å; A333-L430 HydrophobicContact CB-CD2 3.74Å; A333-L430 CarbonylContact O-C 3.55Å; A333-L430 WeakPolarHBondContact O-CA 3.42Å; A333-V431 PolarHBondContact O-N 3.5Å
334	I	98.9	Very high	95.7	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.2	178	-55	177.4	0	0	0	107.8	V332 A356 M359 A360 L363 V370 T371 L372 L373 V431 I433	V332-I334 HydrophobicContact CG1-CG1 4.03Å; I334-A356 HydrophobicContact CG2-CB 3.87Å; I334-M359 HydrophobicContact CD1-CB 4.12Å; I334-M359 HydrophobicContact CG2-CE 4.32Å; I334-A360 HydrophobicContact CD1-CB 4.14Å; I334-L363 HydrophobicContact CD1-CD1 4.05Å; I334-V370 HydrophobicContact CD1-CG1 3.86Å; I334-V370 HydrophobicContact CG1-CG1 4.27Å; I334-T371 PolarHBondContact N-O 2.93Å; I334-L372 HydrophobicContact CB-CD1 4.32Å; I334-L372 HydrophobicContact CG2-CD1 4.4Å; I334-L372 CarbonylContact O-C 3.51Å; I334-L372 WeakPolarHBondContact O-CA 3.36Å; I334-L373 PolarHBondContact O-N 3.44Å; I334-V431 CarbonylContact C-O 3.55Å; I334-V431 VanDerWaalsContact CA-O 3.3Å; I334-V431 WeakPolarHBondContact CA-O 3.15Å; I334-V431 HydrophobicContact CG1-CB 4.37Å; I334-I433 HydrophobicContact CG2-CG2 4.2Å
335	V	98.6	Very high	95.3	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.2	171.1	63.4	0	0	0	0	109.3	L373 V431 A432 I433 R435 I459 F463	V335-L373 HydrophobicContact CB-CB 3.93Å; V335-L373 HydrophobicContact CG2-CB 4.17Å; V335-V431 PolarHBondContact N-O 2.91Å; V335-A432 HydrophobicContact CG1-CB 3.7Å; V335-A432 WeakPolarHBondContact O-CA 3.5Å; V335-I433 PolarHBondContact O-N 2.9Å; V335-R435 HydrophobicContact CG1-CB 4.26Å; V335-R435 HydrophobicContact CG1-CG 4.08Å; V335-R435 HydrophobicContact CG2-CG 4.09Å; V335-I459 HydrophobicContact CG1-CG2 4.37Å; V335-I459 HydrophobicContact CG2-CD1 3.85Å; V335-I459 HydrophobicContact CG2-CG2 4.18Å; V335-F463 HydrophobicContact CG1-CE2 4.26Å; V335-F463 HydrophobicContact CG1-CZ 4.44Å
336	T	98.1	Very high	95.1	Very high	9 Å²	9	31.7 Å²	31.7	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.9	174.7	-170.4	0	0	0	0	109.6	G352 P353 A356 I433	T336-G352 VanDerWaalsContact OG1-CA 3.28Å; T336-G352 WeakPolarHBondContact OG1-CA 3.29Å; T336-P353 HydrophobicContact CG2-CB 4.38Å; T336-P353 HydrophobicContact CG2-CG 4.31Å; T336-A356 HydrophobicContact CG2-CB 3.78Å; T336-I433 VanDerWaalsContact CA-O 3.23Å; T336-I433 WeakPolarHBondContact CA-O 3.48Å; T336-I433 WeakPolarHBondContact CB-O 3.45Å; T336-I433 PolarHBondContact OG1-O 3.29Å
337	G	94.2	Very high	94.9	Very high	8 Å²	8	32.2 Å²	32.2	8%	0.082	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.3	116.6	177.9	0	0	0	0	0	110.9	E434 R435	G337-E434 CarbonylContact C-O 3.53Å; G337-E434 VanDerWaalsContact C-O 3.23Å; G337-E434 PolarHBondContact N-O 2.82Å; G337-R435 WeakPolarHBondContact O-CD 3.03Å; G337-R435 PolarHBondContact O-NH1 3.24Å
338	F	96.2	Very high	94.7	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.018	18%	0.179	C	C	.	.			trans	-126.3	109.8	177.3	-156.2	-54.5	0	0	0	110	T340 D348 E349 E434 N446 I452 N482 E483	F338-T340 HydrophobicContact CD1-CG2 3.77Å; F338-T340 HydrophobicContact CE1-CG2 4.32Å; F338-T340 PolarHBondContact O-N 3.14Å; F338-T340 VanDerWaalsContact O-N 3.15Å; F338-D348 WeakPolarHBondContact O-CA 3.41Å; F338-E349 HydrophobicContact CB-CG 4.14Å; F338-E349 WeakPolarHBondContact CB-OE1 3.42Å; F338-E349 PolarHBondContact O-N 2.9Å; F338-E434 HydrophobicContact CB-CG 4.08Å; F338-E434 WeakPolarHBondContact CD2-OE1 3.09Å; F338-E434 PolarHBondContact N-O 3.27Å; F338-N446 HydrophobicContact CE1-CB 3.95Å; F338-I452 HydrophobicContact CD1-CD1 4.17Å; F338-I452 HydrophobicContact CE1-CD1 3.52Å; F338-I452 HydrophobicContact CZ-CD1 4.17Å; F338-N482 WeakPolarHBondContact CZ-ND2 3.35Å; F338-E483 HydrophobicContact CD2-CG 4.43Å; F338-E483 HydrophobicContact CE2-CG 4.31Å
339	P	94.9	Very high	94.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-74	102.6	175	-17.7	32.3	0	0	0	111	P347 I452 L455 V456	P339-P347 WeakPolarHBondContact CA-O 3.06Å; P339-P347 HydrophobicContact CB-CB 4.22Å; P339-P347 HydrophobicContact CB-CG 4.18Å; P339-I452 WeakPolarHBondContact O-CD1 3.43Å; P339-L455 HydrophobicContact CB-CB 3.86Å; P339-L455 HydrophobicContact CB-CD1 3.69Å; P339-L455 HydrophobicContact CB-CG 4.42Å; P339-L455 HydrophobicContact CG-CB 3.86Å; P339-V456 HydrophobicContact CG-CG2 3.99Å
340	T	91.4	Very high	94.6	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.055	17%	0.169	C	C	.	.			trans	-97.8	-34.1	176.6	51	0	0	0	0	111.8	F338 P347 E349 R448 G585	F338-T340 HydrophobicContact CD1-CG2 3.77Å; F338-T340 HydrophobicContact CE1-CG2 4.32Å; F338-T340 PolarHBondContact O-N 3.14Å; F338-T340 VanDerWaalsContact O-N 3.15Å; T340-P347 PolarHBondContact N-O 2.91Å; T340-E349 HydrophobicContact CG2-CB 4.35Å; T340-E349 HydrophobicContact CG2-CG 4.41Å; T340-E349 WeakPolarHBondContact CG2-OE1 3.28Å; T340-R448 PolarHBondContact O-NH2 2.73Å; T340-G585 WeakPolarHBondContact OG1-CA 3.36Å
341	H	90.5	Very high	94.6	Very high	26 Å²	26	26.5 Å²	26.5	12%	0.12	14%	0.143	C	C	.	.			trans	-113.4	71.2	-169.3	-60.5	-62.8	0	0	0	112.6	Q343 H344 P347 S584 G585 G588	H341-Q343 PolarHBondContact O-N 3.16Å; H341-H344 HydrophobicContact CB-CB 4.19Å; H341-H344 PolarHBondContact O-N 2.79Å; H341-P347 PolarHBondContact N-O 3.39Å; H341-P347 WeakPolarHBondContact O-CA 3.43Å; H341-P347 WeakPolarHBondContact O-CB 3.31Å; H341-S584 PolarHBondContact NE2-O 3.3Å; H341-G585 PolarHBondContact CE1-O 2.92Å; H341-G585 VanDerWaalsContact CE1-O 3.31Å; H341-G585 WeakPolarHBondContact NE2-CA 3.39Å; H341-G585 PolarHBondContact NE2-O 2.75Å; H341-G588 VanDerWaalsContact CE1-CA 3.41Å; H341-G588 WeakPolarHBondContact CE1-CA 3.39Å; H341-G588 WeakPolarHBondContact NE2-CA 3.41Å
342	H	86.1	Confident	94.6	Very high	80 Å²	80	26.5 Å²	26.5	37%	0.37	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-13.9	-175.5	65	-88.4	0	0	0	115.7	E450 L455	H342-E450 IonicContact CE1-OE1 3.91Å; H342-L455 HydrophobicContact CB-CD1 3.76Å
343	Q	87.2	Confident	94.6	Very high	167 Å²	167	27.1 Å²	27.1	78%	0.78	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-6.4	174.9	-59.8	-177.9	3.7	0	0	113.5	H341	H341-Q343 PolarHBondContact O-N 3.16Å
344	H	91.1	Very high	94.6	Very high	83 Å²	83	27.1 Å²	27.1	38%	0.384	15%	0.147	S	C	.	.	S	Bend	trans	-109.7	157.9	178.2	-67.5	-47	0	0	0	111.1	H341 P346	H341-H344 HydrophobicContact CB-CB 4.19Å; H341-H344 PolarHBondContact O-N 2.79Å; H344-P346 CarbonylContact C-O 3.52Å; H344-P346 CarbonylContact O-C 3.42Å
345	S	90.3	Very high	94.6	Very high	120 Å²	120	27 Å²	27	84%	0.839	15%	0.147	S	C	*	.	S	Bend	trans	-128.6	113.1	174.3	-178.1	0	0	0	0	108.6
346	P	94.1	Very high	94.6	Very high	20 Å²	20	27 Å²	27	13%	0.13	15%	0.147	C	C	.	.	S	Bend	cis	-70.7	154.8	-2.5	32	-36.2	0	0	0	112.9	H344 D348 M381 I582	H344-P346 CarbonylContact C-O 3.52Å; H344-P346 CarbonylContact O-C 3.42Å; P346-D348 VanDerWaalsContact C-N 3.32Å; P346-M381 HydrophobicContact CB-CE 4.44Å; P346-M381 HydrophobicContact CB-SD 3.42Å; P346-M381 WeakPolarHBondContact CB-SD 3.45Å; P346-M381 HydrophobicContact CG-SD 3.55Å; P346-M381 VanDerWaalsContact CG-SD 3.55Å; P346-I582 HydrophobicContact CG-CG1 3.64Å
347	P	94.8	Very high	94.6	Very high	10 Å²	10	27 Å²	27	7%	0.065	15%	0.146	C	C	.	.			trans	-82.6	-10.2	174.3	35.1	-37.9	0	0	0	113.6	P339 T340 H341 R377 L455	P339-P347 WeakPolarHBondContact CA-O 3.06Å; P339-P347 HydrophobicContact CB-CB 4.22Å; P339-P347 HydrophobicContact CB-CG 4.18Å; T340-P347 PolarHBondContact N-O 2.91Å; H341-P347 PolarHBondContact N-O 3.39Å; H341-P347 WeakPolarHBondContact O-CA 3.43Å; H341-P347 WeakPolarHBondContact O-CB 3.31Å; P347-R377 VanDerWaalsContact CG-NH1 3.29Å; P347-L455 HydrophobicContact CB-CD1 4.23Å; P347-L455 HydrophobicContact CG-CD1 4.35Å
348	D	94.4	Very high	94.8	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.032	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-69.3	156.3	-175.9	-53.3	-91.2	0	0	0	112.2	F338 P346 R377 M381 I582	F338-D348 WeakPolarHBondContact O-CA 3.41Å; P346-D348 VanDerWaalsContact C-N 3.32Å; D348-R377 IonicContact OD1-CZ 2.81Å; D348-R377 IonicContact OD1-NH1 2.76Å; D348-R377 IonicContact OD1-NH2 2.65Å; D348-R377 PolarHBondContact OD1-NH2 2.91Å; D348-R377 IonicContact OD2-CZ 3Å; D348-R377 IonicContact OD2-NH1 3.48Å; D348-R377 PolarHBondContact OD2-NH1 3.02Å; D348-R377 IonicContact OD2-NH2 3.53Å; D348-R377 PolarHBondContact OD2-NH2 3.4Å; D348-M381 HydrophobicContact CB-CE 4.16Å; D348-I582 WeakPolarHBondContact O-CG2 3.37Å
349	E	95.4	Very high	95	Very high	9 Å²	9	27 Å²	27	4%	0.042	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-106.4	170.7	-178.1	75.9	179.1	115.9	0	0	115.5	F338 T340 D351 I582 R583 G585	F338-E349 HydrophobicContact CB-CG 4.14Å; F338-E349 WeakPolarHBondContact CB-OE1 3.42Å; F338-E349 PolarHBondContact O-N 2.9Å; T340-E349 HydrophobicContact CG2-CB 4.35Å; T340-E349 HydrophobicContact CG2-CG 4.41Å; T340-E349 WeakPolarHBondContact CG2-OE1 3.28Å; E349-D351 HydrophobicContact CG-CB 4.47Å; E349-I582 VanDerWaalsContact O-CG2 3.23Å; E349-I582 WeakPolarHBondContact O-CG2 3.38Å; E349-R583 CarbonylContact C-O 3.58Å; E349-R583 WeakPolarHBondContact CA-O 3.47Å; E349-G585 WeakPolarHBondContact OE2-CA 3.39Å; E349-G585 PolarHBondContact OE2-N 3.38Å
350	T	97.6	Very high	95.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-82	-14.4	-179.7	52.2	0	0	0	0	114.4	P354 N519 L574 L577 I582 R583 S584 E593 V594	T350-P354 WeakPolarHBondContact O-CD 3.36Å; T350-N519 PolarHBondContact O-ND2 3.02Å; T350-N519 VanDerWaalsContact O-ND2 3.1Å; T350-L574 HydrophobicContact CG2-CD1 3.82Å; T350-L577 HydrophobicContact CG2-CB 4.29Å; T350-L577 HydrophobicContact CG2-CD1 4.33Å; T350-I582 HydrophobicContact CG2-CG2 3.84Å; T350-R583 PolarHBondContact N-O 3.4Å; T350-S584 WeakPolarHBondContact OG1-CA 3.34Å; T350-E593 PolarHBondContact OG1-O 3.27Å; T350-V594 WeakPolarHBondContact OG1-CA 3.48Å
351	D	97.9	Very high	95.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-82.4	137.6	172.2	-163.3	22.8	0	0	0	111.4	E349 P353 E434 V517 S518 N519 V594 D595	E349-D351 HydrophobicContact CG-CB 4.47Å; D351-P353 WeakPolarHBondContact O-CD 3.49Å; D351-E434 HydrophobicContact CB-CG 3.92Å; D351-E434 WeakPolarHBondContact O-CB 3.28Å; D351-E434 WeakPolarHBondContact O-CG 3.15Å; D351-V517 HydrophobicContact CB-CG1 4.48Å; D351-V517 WeakPolarHBondContact OD1-CG1 3.46Å; D351-S518 PolarHBondContact OD1-N 2.65Å; D351-S518 WeakPolarHBondContact OD2-CB 3.39Å; D351-S518 PolarHBondContact OD2-N 3.25Å; D351-N519 WeakPolarHBondContact OD1-CB 3.31Å; D351-N519 PolarHBondContact OD1-N 3.49Å; D351-N519 PolarHBondContact OD1-ND2 2.89Å; D351-N519 VanDerWaalsContact OD1-ND2 3.16Å; D351-V594 HydrophobicContact CB-CG1 3.51Å; D351-D595 WeakPolarHBondContact CB-OD2 3.33Å
352	G	98.1	Very high	95.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	105.9	-65.3	-175.6	0	0	0	0	0	116	T336 G355 A356 N519	T336-G352 VanDerWaalsContact OG1-CA 3.28Å; T336-G352 WeakPolarHBondContact OG1-CA 3.29Å; G352-G355 PolarHBondContact O-N 2.86Å; G352-G355 VanDerWaalsContact O-N 3.13Å; G352-A356 PolarHBondContact O-N 2.72Å; G352-N519 WeakPolarHBondContact CA-OD1 3.44Å; G352-N519 PolarHBondContact N-OD1 3.16Å; G352-N519 PolarHBondContact O-OD1 2.81Å
353	P	98.2	Very high	96.4	Very high	13 Å²	13	21.8 Å²	21.8	8%	0.084	12%	0.122	C	C	.	.	H	α-helix	trans	-55.6	-44.1	-171.9	-24.1	29.9	0	0	0	114	T336 D351 G355 A356 I357 F573 L577	T336-P353 HydrophobicContact CG2-CB 4.38Å; T336-P353 HydrophobicContact CG2-CG 4.31Å; D351-P353 WeakPolarHBondContact O-CD 3.49Å; P353-G355 PolarHBondContact O-N 2.77Å; P353-A356 WeakPolarHBondContact O-CB 3.21Å; P353-A356 PolarHBondContact O-N 3.01Å; P353-I357 WeakPolarHBondContact O-CG1 3.37Å; P353-I357 PolarHBondContact O-N 3.3Å; P353-F573 HydrophobicContact CB-CE1 4.1Å; P353-L577 HydrophobicContact CB-CD1 4.39Å; P353-L577 HydrophobicContact CB-CD2 4.32Å
354	P	98.6	Very high	97	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.013	9%	0.093	C	C	.	.	H	α-helix	trans	-62	-42.1	176.7	-21.2	29.8	0	0	0	114.6	T350 I357 A358 N519 Y523 E570 F573 L577	T350-P354 WeakPolarHBondContact O-CD 3.36Å; P354-I357 PolarHBondContact O-N 2.9Å; P354-A358 WeakPolarHBondContact O-CB 3.3Å; P354-A358 PolarHBondContact O-N 3.3Å; P354-N519 WeakPolarHBondContact CD-OD1 3.35Å; P354-N519 WeakPolarHBondContact CG-ND2 3.47Å; P354-Y523 HydrophobicContact CB-CE1 4.48Å; P354-E570 VanDerWaalsContact CB-CD 3.47Å; P354-E570 WeakPolarHBondContact CB-OE1 3.45Å; P354-E570 VanDerWaalsContact CB-OE2 3.24Å; P354-E570 WeakPolarHBondContact CB-OE2 3.3Å; P354-E570 VanDerWaalsContact CG-OE1 3.31Å; P354-E570 WeakPolarHBondContact CG-OE1 3.28Å; P354-F573 HydrophobicContact CB-CD1 3.97Å; P354-F573 HydrophobicContact CB-CE1 4.42Å; P354-F573 HydrophobicContact CG-CD1 3.97Å; P354-F573 HydrophobicContact CG-CE1 4.24Å; P354-L577 HydrophobicContact CG-CD1 3.81Å
355	G	98.6	Very high	97.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.8	-41.1	174.4	0	0	0	0	0	112.2	G352 P353 A358 M359 N519	G352-G355 PolarHBondContact O-N 2.86Å; G352-G355 VanDerWaalsContact O-N 3.13Å; P353-G355 PolarHBondContact O-N 2.77Å; G355-A358 PolarHBondContact O-N 3.4Å; G355-M359 WeakPolarHBondContact O-CG 3.29Å; G355-M359 PolarHBondContact O-N 3.47Å; G355-N519 PolarHBondContact N-OD1 3.18Å
356	A	98.8	Very high	97.5	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.008	4%	0.044	C	C	.	.	H	α-helix	trans	-60.2	-45.8	175.4	0	0	0	0	0	111.9	I334 T336 G352 P353 M359 A360 I433	I334-A356 HydrophobicContact CG2-CB 3.87Å; T336-A356 HydrophobicContact CG2-CB 3.78Å; G352-A356 PolarHBondContact O-N 2.72Å; P353-A356 WeakPolarHBondContact O-CB 3.21Å; P353-A356 PolarHBondContact O-N 3.01Å; A356-M359 PolarHBondContact O-N 3.02Å; A356-A360 WeakPolarHBondContact O-CB 3.48Å; A356-A360 PolarHBondContact O-N 3.12Å; A356-I433 HydrophobicContact CB-CG2 3.71Å
357	I	98.6	Very high	97.6	Very high	9 Å²	9	9.8 Å²	9.8	5%	0.046	7%	0.072	C	C	.	.	H	α-helix	trans	-68.1	-38	178.5	-66.7	-61.6	0	0	0	111.7	P353 P354 A360 T361 V394 L395 F573	P353-I357 WeakPolarHBondContact O-CG1 3.37Å; P353-I357 PolarHBondContact O-N 3.3Å; P354-I357 PolarHBondContact O-N 2.9Å; I357-A360 PolarHBondContact O-N 3.46Å; I357-T361 VanDerWaalsContact O-CB 3.27Å; I357-T361 WeakPolarHBondContact O-CB 3.27Å; I357-T361 PolarHBondContact O-N 3.39Å; I357-T361 PolarHBondContact O-OG1 3Å; I357-V394 HydrophobicContact CG2-CG1 3.7Å; I357-L395 HydrophobicContact CD1-CD2 4.31Å; I357-L395 HydrophobicContact CG2-CB 4.17Å; I357-L395 HydrophobicContact CG2-CD1 4.44Å; I357-F573 HydrophobicContact CB-CE1 4.37Å; I357-F573 HydrophobicContact CG1-CE1 3.81Å; I357-F573 HydrophobicContact CG1-CE2 4.25Å; I357-F573 HydrophobicContact CG1-CZ 3.64Å
358	A	98.7	Very high	97.7	Very high	12 Å²	12	10.2 Å²	10.2	10%	0.099	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-45.3	174.6	0	0	0	0	0	111.8	P354 G355 T361 M362 Y523	P354-A358 WeakPolarHBondContact O-CB 3.3Å; P354-A358 PolarHBondContact O-N 3.3Å; G355-A358 PolarHBondContact O-N 3.4Å; A358-T361 PolarHBondContact O-N 3.33Å; A358-M362 PolarHBondContact O-N 3.21Å; A358-M362 VanDerWaalsContact O-N 3.1Å; A358-Y523 HydrophobicContact CB-CD1 3.65Å; A358-Y523 HydrophobicContact CB-CE1 4.04Å
359	M	98.8	Very high	97.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-61.5	-49.6	174.1	-71.4	-171.3	-66.5	0	0	111.6	I334 G355 A356 T361 M362 L363 V431 I433 I477 G522 V525	I334-M359 HydrophobicContact CD1-CB 4.12Å; I334-M359 HydrophobicContact CG2-CE 4.32Å; G355-M359 WeakPolarHBondContact O-CG 3.29Å; G355-M359 PolarHBondContact O-N 3.47Å; A356-M359 PolarHBondContact O-N 3.02Å; M359-T361 VanDerWaalsContact C-N 3.3Å; M359-T361 PolarHBondContact O-N 3.49Å; M359-M362 PolarHBondContact O-N 2.95Å; M359-L363 WeakPolarHBondContact O-CB 3.43Å; M359-L363 VanDerWaalsContact O-CG 3.24Å; M359-L363 WeakPolarHBondContact O-CG 3.44Å; M359-L363 PolarHBondContact O-N 3.06Å; M359-V431 HydrophobicContact CE-CG1 3.9Å; M359-V431 HydrophobicContact SD-CG1 4.22Å; M359-I433 HydrophobicContact CE-CB 4.1Å; M359-I433 HydrophobicContact CE-CD1 3.8Å; M359-I433 HydrophobicContact CE-CG2 3.83Å; M359-I477 HydrophobicContact CE-CD1 4.11Å; M359-I477 HydrophobicContact SD-CD1 3.98Å; M359-G522 VanDerWaalsContact CG-O 3.32Å; M359-G522 WeakPolarHBondContact CG-O 3.09Å; M359-V525 HydrophobicContact CG-CB 3.97Å; M359-V525 HydrophobicContact CG-CG1 3.88Å; M359-V525 HydrophobicContact SD-CB 3.85Å; M359-V525 HydrophobicContact SD-CG1 3.73Å; M359-V525 HydrophobicContact SD-CG2 4.16Å
360	A	98.8	Very high	98.1	Very high	1 Å²	1	17 Å²	17	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-56.2	-45.1	178.9	0	0	0	0	0	111.7	I334 A356 I357 M362 L363 L364 V370 L395 I399	I334-A360 HydrophobicContact CD1-CB 4.14Å; A356-A360 WeakPolarHBondContact O-CB 3.48Å; A356-A360 PolarHBondContact O-N 3.12Å; I357-A360 PolarHBondContact O-N 3.46Å; A360-M362 PolarHBondContact O-N 2.73Å; A360-L363 PolarHBondContact O-N 3.09Å; A360-L364 WeakPolarHBondContact O-CB 3.49Å; A360-L364 WeakPolarHBondContact O-CG 3.09Å; A360-L364 PolarHBondContact O-N 3.01Å; A360-V370 HydrophobicContact CB-CG1 3.91Å; A360-L395 HydrophobicContact CB-CD1 3.95Å; A360-I399 HydrophobicContact CB-CD1 4.28Å
361	T	98.3	Very high	98.1	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-60	-46.5	178.6	-61.7	0	0	0	0	111.9	I357 A358 M359 S365 V394 L395 K396 N563	I357-T361 VanDerWaalsContact O-CB 3.27Å; I357-T361 WeakPolarHBondContact O-CB 3.27Å; I357-T361 PolarHBondContact O-N 3.39Å; I357-T361 PolarHBondContact O-OG1 3Å; A358-T361 PolarHBondContact O-N 3.33Å; M359-T361 VanDerWaalsContact C-N 3.3Å; M359-T361 PolarHBondContact O-N 3.49Å; T361-S365 PolarHBondContact O-N 3.08Å; T361-S365 VanDerWaalsContact O-N 3.13Å; T361-V394 PolarHBondContact OG1-O 2.65Å; T361-L395 WeakPolarHBondContact OG1-CD1 3.42Å; T361-K396 HydrophobicContact CG2-CB 4.1Å; T361-N563 HydrophobicContact CG2-CB 3.87Å; T361-N563 WeakPolarHBondContact CG2-OD1 3.48Å
362	M	98.6	Very high	98.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.8	-47.5	178	-172.8	63.9	-164.5	0	0	111.5	A358 M359 A360 L364 S365 L366 A526 L529 Y530 W560	A358-M362 PolarHBondContact O-N 3.21Å; A358-M362 VanDerWaalsContact O-N 3.1Å; M359-M362 PolarHBondContact O-N 2.95Å; A360-M362 PolarHBondContact O-N 2.73Å; M362-L364 VanDerWaalsContact C-N 3.33Å; M362-L364 PolarHBondContact O-N 3.29Å; M362-S365 WeakPolarHBondContact O-CB 3.43Å; M362-S365 PolarHBondContact O-N 3.44Å; M362-S365 PolarHBondContact O-OG 3.05Å; M362-L366 HydrophobicContact CE-CD1 3.84Å; M362-L366 HydrophobicContact CE-CD2 3.78Å; M362-L366 HydrophobicContact CE-CG 3.86Å; M362-L366 HydrophobicContact CG-CD1 4.19Å; M362-L366 WeakPolarHBondContact O-CG 3.24Å; M362-L366 PolarHBondContact O-N 2.99Å; M362-L366 VanDerWaalsContact O-N 3.09Å; M362-A526 HydrophobicContact CB-CB 3.81Å; M362-A526 HydrophobicContact CG-CB 4.21Å; M362-L529 HydrophobicContact CG-CB 4.1Å; M362-L529 HydrophobicContact CG-CD1 4.43Å; M362-Y530 VanDerWaalsContact CE-CA 3.48Å; M362-Y530 HydrophobicContact CE-CD2 4.14Å; M362-Y530 HydrophobicContact CE-CG 4.4Å; M362-W560 HydrophobicContact CE-CB 4.3Å
363	L	98.7	Very high	98.1	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-58.2	-42.9	178.8	-69.9	166.8	0	0	0	111.9	L326 V332 I334 M359 A360 S365 L366 G367 K368 V370 L529	L326-L363 HydrophobicContact CD2-CD2 4.36Å; V332-L363 HydrophobicContact CB-CD1 4.2Å; V332-L363 HydrophobicContact CG1-CD1 4.02Å; V332-L363 HydrophobicContact CG2-CD1 4.26Å; V332-L363 HydrophobicContact CG2-CD2 4.38Å; I334-L363 HydrophobicContact CD1-CD1 4.05Å; M359-L363 WeakPolarHBondContact O-CB 3.43Å; M359-L363 VanDerWaalsContact O-CG 3.24Å; M359-L363 WeakPolarHBondContact O-CG 3.44Å; M359-L363 PolarHBondContact O-N 3.06Å; A360-L363 PolarHBondContact O-N 3.09Å; L363-S365 VanDerWaalsContact C-N 3.34Å; L363-S365 PolarHBondContact O-N 2.94Å; L363-L366 CarbonylContact O-C 3.19Å; L363-L366 WeakPolarHBondContact O-CB 3.46Å; L363-L366 PolarHBondContact O-N 2.94Å; L363-L366 VanDerWaalsContact O-N 3.14Å; L363-G367 PolarHBondContact O-N 3.32Å; L363-K368 HydrophobicContact CB-CB 4.3Å; L363-K368 HydrophobicContact CB-CD 4.33Å; L363-K368 HydrophobicContact CD2-CD 3.4Å; L363-K368 HydrophobicContact CG-CD 4.47Å; L363-K368 WeakPolarHBondContact O-CB 3.48Å; L363-K368 PolarHBondContact O-N 3.49Å; L363-V370 HydrophobicContact CB-CG2 3.56Å; L363-V370 HydrophobicContact CD1-CG2 4.18Å; L363-L529 HydrophobicContact CD2-CD1 3.58Å; L363-L529 HydrophobicContact CG-CD1 4.04Å
364	L	98.1	Very high	98.1	Very high	33 Å²	33	18 Å²	18	17%	0.173	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-40.1	173.7	-72.4	169	0	0	0	112.2	A360 M362 L366 G367 V370 L395 K396 A397 I399	A360-L364 WeakPolarHBondContact O-CB 3.49Å; A360-L364 WeakPolarHBondContact O-CG 3.09Å; A360-L364 PolarHBondContact O-N 3.01Å; M362-L364 VanDerWaalsContact C-N 3.33Å; M362-L364 PolarHBondContact O-N 3.29Å; L364-L366 PolarHBondContact O-N 3.12Å; L364-G367 PolarHBondContact O-N 3.2Å; L364-V370 HydrophobicContact CD2-CB 4.39Å; L364-V370 HydrophobicContact CD2-CG2 4.21Å; L364-V370 HydrophobicContact CG-CB 4.49Å; L364-V370 HydrophobicContact CG-CG2 4.09Å; L364-L395 HydrophobicContact CD1-CD1 3.95Å; L364-K396 HydrophobicContact CB-CB 4.42Å; L364-K396 HydrophobicContact CB-CD 4.12Å; L364-K396 HydrophobicContact CD1-CB 4.32Å; L364-A397 HydrophobicContact CD1-CB 4.33Å; L364-I399 HydrophobicContact CD1-CG2 3.73Å; L364-I399 HydrophobicContact CD2-CG2 4.16Å; L364-I399 HydrophobicContact CG-CG2 4.33Å
365	S	96.8	Very high	98	Very high	9 Å²	9	18 Å²	18	6%	0.063	10%	0.104	C	C	.	.	H	α-helix	trans	-65.5	-24.9	176.9	82.3	0	0	0	0	113.1	T361 M362 L363 G367 W560 N563	T361-S365 PolarHBondContact O-N 3.08Å; T361-S365 VanDerWaalsContact O-N 3.13Å; M362-S365 WeakPolarHBondContact O-CB 3.43Å; M362-S365 PolarHBondContact O-N 3.44Å; M362-S365 PolarHBondContact O-OG 3.05Å; L363-S365 VanDerWaalsContact C-N 3.34Å; L363-S365 PolarHBondContact O-N 2.94Å; S365-G367 VanDerWaalsContact C-N 3.27Å; S365-W560 PolarHBondContact O-NE1 2.95Å; S365-W560 VanDerWaalsContact O-NE1 3.13Å; S365-N563 WeakPolarHBondContact CB-ND2 3.25Å
366	L	95.8	Very high	97.8	Very high	26 Å²	26	24 Å²	24	14%	0.136	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	5.9	175.2	-61.7	173.6	0	0	0	112.8	M362 L363 L364 K368 L529 H533 W560	M362-L366 HydrophobicContact CE-CD1 3.84Å; M362-L366 HydrophobicContact CE-CD2 3.78Å; M362-L366 HydrophobicContact CE-CG 3.86Å; M362-L366 HydrophobicContact CG-CD1 4.19Å; M362-L366 WeakPolarHBondContact O-CG 3.24Å; M362-L366 PolarHBondContact O-N 2.99Å; M362-L366 VanDerWaalsContact O-N 3.09Å; L363-L366 CarbonylContact O-C 3.19Å; L363-L366 WeakPolarHBondContact O-CB 3.46Å; L363-L366 PolarHBondContact O-N 2.94Å; L363-L366 VanDerWaalsContact O-N 3.14Å; L364-L366 PolarHBondContact O-N 3.12Å; L366-K368 VanDerWaalsContact C-N 3.35Å; L366-K368 HydrophobicContact CB-CD 4.39Å; L366-K368 HydrophobicContact CB-CG 4.44Å; L366-L529 HydrophobicContact CD1-CB 3.91Å; L366-L529 HydrophobicContact CD1-CD2 4.49Å; L366-H533 VanDerWaalsContact CD1-CE1 3.43Å; L366-H533 WeakPolarHBondContact CD1-CE1 3.41Å; L366-H533 HydrophobicContact CD2-CB 3.86Å; L366-H533 VanDerWaalsContact CD2-CD2 3.46Å; L366-H533 WeakPolarHBondContact CD2-CD2 3.07Å; L366-W560 HydrophobicContact CD2-CD2 4.06Å; L366-W560 HydrophobicContact CD2-CG 4.23Å; L366-W560 HydrophobicContact CD2-CZ2 4.09Å
367	G	95.9	Very high	97.6	Very high	70 Å²	70	28.1 Å²	28.1	72%	0.722	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.6	15.8	178.2	0	0	0	0	0	114.5	L363 L364 S365	L363-G367 PolarHBondContact O-N 3.32Å; L364-G367 PolarHBondContact O-N 3.2Å; S365-G367 VanDerWaalsContact C-N 3.27Å
368	K	97.8	Very high	97.5	Very high	19 Å²	19	27.8 Å²	27.8	8%	0.083	15%	0.145	C	C	.	.			trans	-86	150.2	179.6	-59.3	170.4	-174.3	-76.7	0	110.6	L326 S327 S329 L363 L366	L326-K368 VanDerWaalsContact O-CE 3.3Å; L326-K368 WeakPolarHBondContact O-CE 3.31Å; L326-K368 PolarHBondContact O-NZ 3.47Å; S327-K368 PolarHBondContact O-NZ 2.89Å; S329-K368 PolarHBondContact O-NZ 2.76Å; L363-K368 HydrophobicContact CB-CB 4.3Å; L363-K368 HydrophobicContact CB-CD 4.33Å; L363-K368 HydrophobicContact CD2-CD 3.4Å; L363-K368 HydrophobicContact CG-CD 4.47Å; L363-K368 WeakPolarHBondContact O-CB 3.48Å; L363-K368 PolarHBondContact O-N 3.49Å; L366-K368 VanDerWaalsContact C-N 3.35Å; L366-K368 HydrophobicContact CB-CD 4.39Å; L366-K368 HydrophobicContact CB-CG 4.44Å
369	R	98.4	Very high	97.4	Very high	152 Å²	152	27.5 Å²	27.5	57%	0.574	14%	0.143	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.4	172.1	-63.6	-175.5	-65.9	116.8	-5.9	108.7	S330 S331 V332	S330-R369 PolarHBondContact O-N 3.24Å; S331-R369 CarbonylContact C-O 3.23Å; S331-R369 WeakPolarHBondContact CA-O 3.28Å; S331-R369 VanDerWaalsContact CB-NH2 3.32Å; S331-R369 PolarHBondContact OG-NH1 3.34Å; S331-R369 PolarHBondContact OG-NH2 2.87Å; V332-R369 PolarHBondContact N-O 3.39Å
370	V	98.7	Very high	97.3	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.9	-179.7	-174.8	0	0	0	0	109.2	V332 I334 A360 L363 L364 I399 P400	V332-V370 CarbonylContact O-C 3.26Å; V332-V370 WeakPolarHBondContact O-CA 3.49Å; I334-V370 HydrophobicContact CD1-CG1 3.86Å; I334-V370 HydrophobicContact CG1-CG1 4.27Å; A360-V370 HydrophobicContact CB-CG1 3.91Å; L363-V370 HydrophobicContact CB-CG2 3.56Å; L363-V370 HydrophobicContact CD1-CG2 4.18Å; L364-V370 HydrophobicContact CD2-CB 4.39Å; L364-V370 HydrophobicContact CD2-CG2 4.21Å; L364-V370 HydrophobicContact CG-CB 4.49Å; L364-V370 HydrophobicContact CG-CG2 4.09Å; V370-I399 HydrophobicContact CB-CG2 4.2Å; V370-P400 WeakPolarHBondContact O-CD 3.15Å
371	T	98.6	Very high	97.1	Very high	16 Å²	16	34.9 Å²	34.9	10%	0.098	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136	171.9	-63.1	0	0	0	0	108.9	V332 A333 I334 L373 P400 V402 F427	V332-T371 PolarHBondContact O-N 3.1Å; A333-T371 CarbonylContact C-O 3.57Å; A333-T371 WeakPolarHBondContact CA-O 3.31Å; I334-T371 PolarHBondContact N-O 2.93Å; T371-L373 HydrophobicContact CG2-CD2 4.33Å; T371-P400 HydrophobicContact CG2-CB 4.37Å; T371-V402 HydrophobicContact CG2-CB 4.07Å; T371-V402 HydrophobicContact CG2-CG2 3.71Å; T371-F427 HydrophobicContact CG2-CE1 4.37Å; T371-F427 HydrophobicContact CG2-CZ 4.44Å
372	L	98.6	Very high	97.1	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.063	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.7	172.3	-167.4	69.1	0	0	0	109.2	I334 V386 I399 P400 L401 V402	I334-L372 HydrophobicContact CB-CD1 4.32Å; I334-L372 HydrophobicContact CG2-CD1 4.4Å; I334-L372 CarbonylContact O-C 3.51Å; I334-L372 WeakPolarHBondContact O-CA 3.36Å; L372-V386 HydrophobicContact CD2-CG2 3.59Å; L372-I399 HydrophobicContact CB-CD1 3.85Å; L372-I399 HydrophobicContact CB-CG1 4.38Å; L372-P400 PolarHBondContact N-O 2.8Å; L372-L401 HydrophobicContact CD2-CD1 4.32Å; L372-L401 CarbonylContact O-C 3.52Å; L372-L401 VanDerWaalsContact O-CA 3.31Å; L372-L401 WeakPolarHBondContact O-CA 3.38Å; L372-V402 PolarHBondContact O-N 3.1Å
373	L	97.9	Very high	97	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	143.5	172.2	-58.2	178.1	0	0	0	109.5	A333 I334 V335 T371 V402 F415 L462	A333-L373 HydrophobicContact CB-CD1 3.92Å; A333-L373 HydrophobicContact CB-CG 4.13Å; I334-L373 PolarHBondContact O-N 3.44Å; V335-L373 HydrophobicContact CB-CB 3.93Å; V335-L373 HydrophobicContact CG2-CB 4.17Å; T371-L373 HydrophobicContact CG2-CD2 4.33Å; L373-V402 WeakPolarHBondContact CA-O 3.41Å; L373-V402 HydrophobicContact CD2-CB 4.13Å; L373-V402 HydrophobicContact CD2-CG1 4.39Å; L373-F415 HydrophobicContact CD1-CE1 4.47Å; L373-F415 HydrophobicContact CD2-CE1 3.92Å; L373-F415 HydrophobicContact CD2-CZ 3.47Å; L373-F415 VanDerWaalsContact CD2-CZ 3.47Å; L373-L462 HydrophobicContact CD1-CD1 3.91Å
374	T	96.7	Very high	96.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	154.9	179.7	178.9	0	0	0	0	110.9	A379 N382 L401 V402 I403	T374-A379 HydrophobicContact CG2-CB 4.19Å; T374-N382 PolarHBondContact OG1-ND2 2.95Å; T374-L401 HydrophobicContact CG2-CD1 4.05Å; T374-L401 HydrophobicContact CG2-CD2 3.64Å; T374-L401 HydrophobicContact CG2-CG 3.74Å; T374-V402 PolarHBondContact N-O 2.73Å; T374-V402 VanDerWaalsContact N-O 3.11Å; T374-I403 HydrophobicContact CG2-CG1 4.16Å
375	D	96.3	Very high	96.9	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	21%	0.212	C	C	.	.			trans	-59	148.1	163.9	-63	-47.9	0	0	0	110.7	R377 A378 A379 R435 D457	D375-R377 VanDerWaalsContact C-N 3.27Å; D375-R377 PolarHBondContact O-N 3.46Å; D375-A378 HydrophobicContact CB-CB 4.32Å; D375-A378 PolarHBondContact O-N 2.77Å; D375-A378 VanDerWaalsContact O-N 3.09Å; D375-A379 PolarHBondContact O-N 2.87Å; D375-A379 VanDerWaalsContact O-N 3.12Å; D375-R435 IonicContact OD1-CZ 3.97Å; D375-R435 IonicContact OD1-NH1 2.79Å; D375-R435 PolarHBondContact OD1-NH1 3.14Å; D375-R435 IonicContact OD1-NH2 3.71Å; D375-R435 PolarHBondContact OD1-NH2 3.4Å; D375-R435 IonicContact OD2-CZ 3.6Å; D375-R435 IonicContact OD2-NH1 3.26Å; D375-R435 PolarHBondContact OD2-NH1 3.5Å; D375-R435 IonicContact OD2-NH2 3.4Å; D375-D457 VanDerWaalsContact CA-OD2 3.25Å; D375-D457 WeakPolarHBondContact CA-OD2 3.48Å; D375-D457 HydrophobicContact CB-CB 4.49Å; D375-D457 VanDerWaalsContact OD1-CB 3.22Å; D375-D457 WeakPolarHBondContact OD1-CB 3.36Å; D375-D457 PolarHBondContact OD1-N 2.91Å
376	H	95.8	Very high	96.9	Very high	125 Å²	125	41 Å²	41	58%	0.579	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-54.3	-45.1	172.5	-171.7	83.4	0	0	0	111.1	A378 A379 I403 D457	H376-A378 VanDerWaalsContact C-N 3.26Å; H376-A378 PolarHBondContact O-N 3.44Å; H376-A379 WeakPolarHBondContact O-CB 3.31Å; H376-A379 PolarHBondContact O-N 3.18Å; H376-I403 HydrophobicContact CB-CG2 4Å; H376-D457 WeakPolarHBondContact CB-OD2 3.41Å; H376-D457 PolarHBondContact N-OD2 2.77Å
377	R	94.9	Very high	97	Very high	89 Å²	89	44.4 Å²	44.4	34%	0.336	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-56.7	-38.6	177	-179.7	-168.1	59.8	71.6	0.6	112.8	P347 D348 D375 L455	P347-R377 VanDerWaalsContact CG-NH1 3.29Å; D348-R377 IonicContact OD1-CZ 2.81Å; D348-R377 IonicContact OD1-NH1 2.76Å; D348-R377 IonicContact OD1-NH2 2.65Å; D348-R377 PolarHBondContact OD1-NH2 2.91Å; D348-R377 IonicContact OD2-CZ 3Å; D348-R377 IonicContact OD2-NH1 3.48Å; D348-R377 PolarHBondContact OD2-NH1 3.02Å; D348-R377 IonicContact OD2-NH2 3.53Å; D348-R377 PolarHBondContact OD2-NH2 3.4Å; D375-R377 VanDerWaalsContact C-N 3.27Å; D375-R377 PolarHBondContact O-N 3.46Å; R377-L455 PolarHBondContact NE-O 2.83Å
378	A	95.4	Very high	97.1	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-93.7	-1.1	-173.9	0	0	0	0	0	113.1	D375 H376 D380 M381 N382	D375-A378 HydrophobicContact CB-CB 4.32Å; D375-A378 PolarHBondContact O-N 2.77Å; D375-A378 VanDerWaalsContact O-N 3.09Å; H376-A378 VanDerWaalsContact C-N 3.26Å; H376-A378 PolarHBondContact O-N 3.44Å; A378-D380 PolarHBondContact O-N 3Å; A378-M381 HydrophobicContact CB-CE 4.19Å; A378-M381 PolarHBondContact O-N 2.85Å; A378-N382 WeakPolarHBondContact O-CB 3.33Å; A378-N382 PolarHBondContact O-N 2.83Å
379	A	96.3	Very high	97.1	Very high	6 Å²	6	41.6 Å²	41.6	5%	0.05	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-44.6	-168.6	0	0	0	0	0	114.1	T374 D375 H376 R383 L401 I403	T374-A379 HydrophobicContact CG2-CB 4.19Å; D375-A379 PolarHBondContact O-N 2.87Å; D375-A379 VanDerWaalsContact O-N 3.12Å; H376-A379 WeakPolarHBondContact O-CB 3.31Å; H376-A379 PolarHBondContact O-N 3.18Å; A379-R383 VanDerWaalsContact O-CB 3.26Å; A379-R383 WeakPolarHBondContact O-CB 3.28Å; A379-R383 PolarHBondContact O-N 3.14Å; A379-L401 HydrophobicContact CB-CD2 4.41Å; A379-I403 HydrophobicContact CB-CD1 3.64Å; A379-I403 HydrophobicContact CB-CG1 4.06Å
380	D	96.4	Very high	97.1	Very high	124 Å²	124	36.8 Å²	36.8	66%	0.663	19%	0.185	S	C	*	.	H	α-helix	trans	-70.3	-40.8	-179.4	-72.3	-24.6	0	0	0	112.1	A378 R383 A384	A378-D380 PolarHBondContact O-N 3Å; D380-R383 PolarHBondContact O-N 3.21Å; D380-R383 IonicContact OD1-NH1 2.7Å; D380-R383 PolarHBondContact OD1-NH1 3.17Å; D380-A384 WeakPolarHBondContact O-CB 3.49Å; D380-A384 PolarHBondContact O-N 3.14Å
381	M	95.8	Very high	97	Very high	33 Å²	33	44.6 Å²	44.6	16%	0.163	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-52.7	174	178.3	-171.2	73	0	0	110.4	P346 D348 A378 R383 A384 L385 I582	P346-M381 HydrophobicContact CB-CE 4.44Å; P346-M381 HydrophobicContact CB-SD 3.42Å; P346-M381 WeakPolarHBondContact CB-SD 3.45Å; P346-M381 HydrophobicContact CG-SD 3.55Å; P346-M381 VanDerWaalsContact CG-SD 3.55Å; D348-M381 HydrophobicContact CB-CE 4.16Å; A378-M381 HydrophobicContact CB-CE 4.19Å; A378-M381 PolarHBondContact O-N 2.85Å; M381-R383 VanDerWaalsContact C-N 3.29Å; M381-R383 PolarHBondContact O-N 2.87Å; M381-A384 PolarHBondContact O-N 3.01Å; M381-A384 VanDerWaalsContact O-N 3.15Å; M381-L385 HydrophobicContact CG-CD1 4.21Å; M381-L385 HydrophobicContact CG-CG 4.45Å; M381-L385 WeakPolarHBondContact O-CG 3.3Å; M381-L385 PolarHBondContact O-N 3.01Å; M381-I582 HydrophobicContact CE-CD1 4.31Å; M381-I582 HydrophobicContact SD-CD1 3.82Å; M381-I582 HydrophobicContact SD-CG1 4.03Å
382	N	96.9	Very high	96.9	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.064	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-32.8	-177.8	-76.9	-21.6	0	0	0	112.1	T374 A378 L385 V386 L401	T374-N382 PolarHBondContact OG1-ND2 2.95Å; A378-N382 WeakPolarHBondContact O-CB 3.33Å; A378-N382 PolarHBondContact O-N 2.83Å; N382-L385 PolarHBondContact O-N 3.46Å; N382-V386 WeakPolarHBondContact O-CB 3.35Å; N382-V386 VanDerWaalsContact O-CG2 3.29Å; N382-V386 WeakPolarHBondContact O-CG2 3.3Å; N382-V386 PolarHBondContact O-N 3.11Å; N382-L401 HydrophobicContact CB-CD1 3.61Å
383	R	97.4	Very high	96.8	Very high	114 Å²	114	47.1 Å²	47.1	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-49.7	171.4	-176.3	174.8	-65.1	133.7	2.8	111	A379 D380 M381 L385 V386 D387 L401	A379-R383 VanDerWaalsContact O-CB 3.26Å; A379-R383 WeakPolarHBondContact O-CB 3.28Å; A379-R383 PolarHBondContact O-N 3.14Å; D380-R383 PolarHBondContact O-N 3.21Å; D380-R383 IonicContact OD1-NH1 2.7Å; D380-R383 PolarHBondContact OD1-NH1 3.17Å; M381-R383 VanDerWaalsContact C-N 3.29Å; M381-R383 PolarHBondContact O-N 2.87Å; R383-L385 VanDerWaalsContact C-N 3.31Å; R383-L385 PolarHBondContact O-N 3.4Å; R383-V386 PolarHBondContact O-N 3.1Å; R383-D387 VanDerWaalsContact O-CG 3.27Å; R383-D387 PolarHBondContact O-N 3.11Å; R383-L401 HydrophobicContact CB-CD1 4.38Å
384	A	97.1	Very high	96.7	Very high	38 Å²	38	47.4 Å²	47.4	31%	0.314	24%	0.24	S	C	.	.	H	α-helix	trans	-65.3	-33.8	179.3	0	0	0	0	0	112.7	D380 M381 E388 F580	D380-A384 WeakPolarHBondContact O-CB 3.49Å; D380-A384 PolarHBondContact O-N 3.14Å; M381-A384 PolarHBondContact O-N 3.01Å; M381-A384 VanDerWaalsContact O-N 3.15Å; A384-E388 VanDerWaalsContact O-CB 3.3Å; A384-E388 WeakPolarHBondContact O-CB 3.3Å; A384-E388 PolarHBondContact O-N 3.29Å; A384-F580 HydrophobicContact CB-CE1 3.61Å; A384-F580 HydrophobicContact CB-CZ 4.24Å
385	L	97.3	Very high	96.7	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-44.5	172.2	-70.6	177	0	0	0	112.5	M381 N382 R383 E388 A389 T576 L577 F580 I582	M381-L385 HydrophobicContact CG-CD1 4.21Å; M381-L385 HydrophobicContact CG-CG 4.45Å; M381-L385 WeakPolarHBondContact O-CG 3.3Å; M381-L385 PolarHBondContact O-N 3.01Å; N382-L385 PolarHBondContact O-N 3.46Å; R383-L385 VanDerWaalsContact C-N 3.31Å; R383-L385 PolarHBondContact O-N 3.4Å; L385-E388 PolarHBondContact O-N 2.81Å; L385-A389 WeakPolarHBondContact O-CB 3.32Å; L385-A389 PolarHBondContact O-N 2.83Å; L385-T576 HydrophobicContact CD2-CG2 3.8Å; L385-L577 HydrophobicContact CD1-CD2 3.78Å; L385-L577 HydrophobicContact CD2-CD2 3.83Å; L385-L577 HydrophobicContact CG-CD2 4.43Å; L385-F580 HydrophobicContact CD2-CB 4.17Å; L385-F580 HydrophobicContact CD2-CD1 3.78Å; L385-F580 HydrophobicContact CD2-CD2 4.22Å; L385-F580 HydrophobicContact CD2-CE1 4.19Å; L385-F580 HydrophobicContact CD2-CG 3.79Å; L385-F580 HydrophobicContact CG-CD1 4.26Å; L385-I582 HydrophobicContact CD1-CD1 3.75Å; L385-I582 HydrophobicContact CD2-CD1 4.46Å
386	V	97.5	Very high	96.5	Very high	6 Å²	6	51 Å²	51	4%	0.036	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-46.2	176.5	167.9	0	0	0	0	110.4	L372 N382 R383 E388 A389 V390 L395 I399	L372-V386 HydrophobicContact CD2-CG2 3.59Å; N382-V386 WeakPolarHBondContact O-CB 3.35Å; N382-V386 VanDerWaalsContact O-CG2 3.29Å; N382-V386 WeakPolarHBondContact O-CG2 3.3Å; N382-V386 PolarHBondContact O-N 3.11Å; R383-V386 PolarHBondContact O-N 3.1Å; V386-E388 VanDerWaalsContact C-N 3.32Å; V386-E388 PolarHBondContact O-N 2.84Å; V386-A389 WeakPolarHBondContact O-CB 3.24Å; V386-A389 PolarHBondContact O-N 3.19Å; V386-V390 WeakPolarHBondContact O-CG2 3.42Å; V386-V390 PolarHBondContact O-N 2.81Å; V386-L395 HydrophobicContact CG1-CD2 4Å; V386-I399 HydrophobicContact CG1-CG1 4.09Å
387	D	97.8	Very high	96.5	Very high	96 Å²	96	47.1 Å²	47.1	51%	0.513	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-43.7	178.4	-70.5	-21.8	0	0	0	111.4	R383 V390 R391	R383-D387 VanDerWaalsContact O-CG 3.27Å; R383-D387 PolarHBondContact O-N 3.11Å; D387-V390 PolarHBondContact O-N 3.29Å; D387-R391 WeakPolarHBondContact O-CB 3.35Å; D387-R391 PolarHBondContact O-N 2.71Å
388	E	97.9	Very high	96.5	Very high	31 Å²	31	46.4 Å²	46.4	15%	0.145	26%	0.258	C	S	.	.	H	α-helix	trans	-66.2	-39.7	176	-178.8	66.8	175.5	0	0	112	A384 L385 V386 V390 R391 T392 T576 R579	A384-E388 VanDerWaalsContact O-CB 3.3Å; A384-E388 WeakPolarHBondContact O-CB 3.3Å; A384-E388 PolarHBondContact O-N 3.29Å; L385-E388 PolarHBondContact O-N 2.81Å; V386-E388 VanDerWaalsContact C-N 3.32Å; V386-E388 PolarHBondContact O-N 2.84Å; E388-V390 VanDerWaalsContact C-N 3.33Å; E388-V390 PolarHBondContact O-N 2.91Å; E388-R391 PolarHBondContact O-N 2.84Å; E388-R391 IonicContact OE1-CZ 3.24Å; E388-R391 IonicContact OE1-NE 2.69Å; E388-R391 IonicContact OE1-NH2 2.99Å; E388-R391 PolarHBondContact OE1-NH2 2.87Å; E388-R391 IonicContact OE2-CZ 3.37Å; E388-R391 VanDerWaalsContact OE2-CZ 3.24Å; E388-R391 IonicContact OE2-NE 3.15Å; E388-R391 PolarHBondContact OE2-NE 2.85Å; E388-R391 IonicContact OE2-NH2 2.65Å; E388-R391 PolarHBondContact OE2-NH2 2.82Å; E388-T392 HydrophobicContact CG-CG2 4.39Å; E388-T392 WeakPolarHBondContact O-CB 3.45Å; E388-T392 VanDerWaalsContact O-CG2 3.3Å; E388-T392 WeakPolarHBondContact O-CG2 3.45Å; E388-T392 PolarHBondContact O-N 3.36Å; E388-T392 PolarHBondContact O-OG1 3.19Å; E388-T576 HydrophobicContact CB-CG2 4.16Å; E388-T576 HydrophobicContact CG-CG2 3.52Å; E388-R579 IonicContact OE1-NH2 3.64Å; E388-R579 PolarHBondContact OE1-NH2 3.31Å
389	A	97.8	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-38.9	176.1	0	0	0	0	0	111.9	L385 V386 T392 G393 V394 L395 F573	L385-A389 WeakPolarHBondContact O-CB 3.32Å; L385-A389 PolarHBondContact O-N 2.83Å; V386-A389 WeakPolarHBondContact O-CB 3.24Å; V386-A389 PolarHBondContact O-N 3.19Å; A389-T392 PolarHBondContact O-OG1 3Å; A389-G393 PolarHBondContact O-N 3.15Å; A389-V394 HydrophobicContact CB-CB 4.33Å; A389-V394 PolarHBondContact O-N 3.3Å; A389-L395 HydrophobicContact CB-CB 3.72Å; A389-L395 PolarHBondContact O-N 2.89Å; A389-F573 HydrophobicContact CB-CD2 4.08Å; A389-F573 HydrophobicContact CB-CE2 3.84Å
390	V	97.8	Very high	96.7	Very high	50 Å²	50	50.2 Å²	50.2	30%	0.303	28%	0.282	S	S	.	.	H	α-helix	trans	-67.5	-48.9	173.5	175.8	0	0	0	0	110.4	V386 D387 E388 T392 G393 L395 A398	V386-V390 WeakPolarHBondContact O-CG2 3.42Å; V386-V390 PolarHBondContact O-N 2.81Å; D387-V390 PolarHBondContact O-N 3.29Å; E388-V390 VanDerWaalsContact C-N 3.33Å; E388-V390 PolarHBondContact O-N 2.91Å; V390-T392 PolarHBondContact O-N 2.93Å; V390-G393 PolarHBondContact O-N 3.34Å; V390-L395 HydrophobicContact CG2-CB 4.22Å; V390-L395 HydrophobicContact CG2-CD2 3.84Å; V390-L395 HydrophobicContact CG2-CG 4.15Å; V390-A398 HydrophobicContact CG2-CB 4.3Å
391	R	97.8	Very high	96.7	Very high	171 Å²	171	45.7 Å²	45.7	65%	0.645	26%	0.257	S	S	*	.	H	α-helix	trans	-58	-37.8	-178.9	-169.8	-168.2	67.5	73.4	-0.8	112.1	D387 E388	D387-R391 WeakPolarHBondContact O-CB 3.35Å; D387-R391 PolarHBondContact O-N 2.71Å; E388-R391 PolarHBondContact O-N 2.84Å; E388-R391 IonicContact OE1-CZ 3.24Å; E388-R391 IonicContact OE1-NE 2.69Å; E388-R391 IonicContact OE1-NH2 2.99Å; E388-R391 PolarHBondContact OE1-NH2 2.87Å; E388-R391 IonicContact OE2-CZ 3.37Å; E388-R391 VanDerWaalsContact OE2-CZ 3.24Å; E388-R391 IonicContact OE2-NE 3.15Å; E388-R391 PolarHBondContact OE2-NE 2.85Å; E388-R391 IonicContact OE2-NH2 2.65Å; E388-R391 PolarHBondContact OE2-NH2 2.82Å
392	T	96.4	Very high	96.8	Very high	35 Å²	35	46.5 Å²	46.5	22%	0.215	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-8	179.7	54.9	0	0	0	0	113.8	E388 A389 V390 V394 L572	E388-T392 HydrophobicContact CG-CG2 4.39Å; E388-T392 WeakPolarHBondContact O-CB 3.45Å; E388-T392 VanDerWaalsContact O-CG2 3.3Å; E388-T392 WeakPolarHBondContact O-CG2 3.45Å; E388-T392 PolarHBondContact O-N 3.36Å; E388-T392 PolarHBondContact O-OG1 3.19Å; A389-T392 PolarHBondContact O-OG1 3Å; V390-T392 PolarHBondContact O-N 2.93Å; T392-V394 VanDerWaalsContact C-N 3.25Å; T392-V394 PolarHBondContact O-N 3.41Å; T392-V394 WeakPolarHBondContact OG1-CG2 3.3Å; T392-L572 HydrophobicContact CG2-CD2 4.15Å; T392-L572 HydrophobicContact CG2-CG 4.37Å
393	G	95.3	Very high	96.8	Very high	46 Å²	46	48 Å²	48	47%	0.474	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	14.2	-177.4	0	0	0	0	0	114.4	A389 V390	A389-G393 PolarHBondContact O-N 3.15Å; V390-G393 PolarHBondContact O-N 3.34Å
394	V	96.9	Very high	96.7	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.055	25%	0.252	C	S	.	.	S	Bend	trans	-66.5	-48.4	168.7	173.8	0	0	0	0	109.1	I357 T361 A389 T392 K569 L572 F573	I357-V394 HydrophobicContact CG2-CG1 3.7Å; T361-V394 PolarHBondContact OG1-O 2.65Å; A389-V394 HydrophobicContact CB-CB 4.33Å; A389-V394 PolarHBondContact O-N 3.3Å; T392-V394 VanDerWaalsContact C-N 3.25Å; T392-V394 PolarHBondContact O-N 3.41Å; T392-V394 WeakPolarHBondContact OG1-CG2 3.3Å; V394-K569 HydrophobicContact CG1-CB 4.47Å; V394-K569 HydrophobicContact CG2-CB 4.48Å; V394-L572 HydrophobicContact CG2-CB 4.27Å; V394-L572 HydrophobicContact CG2-CD2 4Å; V394-L572 HydrophobicContact CG2-CG 4.18Å; V394-F573 HydrophobicContact CG1-CB 3.9Å; V394-F573 HydrophobicContact CG1-CD2 4.24Å; V394-F573 HydrophobicContact CG1-CG 4.14Å; V394-F573 HydrophobicContact CG2-CB 4.3Å
395	L	96.9	Very high	96.5	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	26%	0.259	C	S	.	.	S	Bend	trans	-94.4	128.7	174	-178.6	60.4	0	0	0	110.1	I357 A360 T361 L364 V386 A389 V390 A397 I399	I357-L395 HydrophobicContact CD1-CD2 4.31Å; I357-L395 HydrophobicContact CG2-CB 4.17Å; I357-L395 HydrophobicContact CG2-CD1 4.44Å; A360-L395 HydrophobicContact CB-CD1 3.95Å; T361-L395 WeakPolarHBondContact OG1-CD1 3.42Å; L364-L395 HydrophobicContact CD1-CD1 3.95Å; V386-L395 HydrophobicContact CG1-CD2 4Å; A389-L395 HydrophobicContact CB-CB 3.72Å; A389-L395 PolarHBondContact O-N 2.89Å; V390-L395 HydrophobicContact CG2-CB 4.22Å; V390-L395 HydrophobicContact CG2-CD2 3.84Å; V390-L395 HydrophobicContact CG2-CG 4.15Å; L395-A397 VanDerWaalsContact C-N 3.33Å; L395-A397 WeakPolarHBondContact CD2-O 3.3Å; L395-A397 VanDerWaalsContact CG-O 3.32Å; L395-A397 WeakPolarHBondContact CG-O 3.45Å; L395-A397 PolarHBondContact O-N 2.95Å; L395-I399 HydrophobicContact CD2-CD1 4.09Å; L395-I399 HydrophobicContact CD2-CG1 4.1Å
396	K	91.6	Very high	96.1	Very high	79 Å²	79	49.8 Å²	49.8	34%	0.343	28%	0.281	S	S	.	.	S	Bend	trans	-57.8	-41.1	-174.5	176.2	173	170.9	126.2	0	113.8	T361 L364 D559	T361-K396 HydrophobicContact CG2-CB 4.1Å; L364-K396 HydrophobicContact CB-CB 4.42Å; L364-K396 HydrophobicContact CB-CD 4.12Å; L364-K396 HydrophobicContact CD1-CB 4.32Å; K396-D559 IonicContact NZ-OD1 3.91Å; K396-D559 PolarHBondContact NZ-OD1 2.76Å; K396-D559 IonicContact NZ-OD2 3.91Å; K396-D559 PolarHBondContact NZ-OD2 3.23Å
397	A	95.4	Very high	95.8	Very high	42 Å²	42	59.3 Å²	59.3	35%	0.347	32%	0.316	S	S	.	.	S	Bend	trans	-156.4	158.3	-177.3	0	0	0	0	0	110	L364 L395 I399	L364-A397 HydrophobicContact CD1-CB 4.33Å; L395-A397 VanDerWaalsContact C-N 3.33Å; L395-A397 WeakPolarHBondContact CD2-O 3.3Å; L395-A397 VanDerWaalsContact CG-O 3.32Å; L395-A397 WeakPolarHBondContact CG-O 3.45Å; L395-A397 PolarHBondContact O-N 2.95Å; A397-I399 PolarHBondContact O-N 3.31Å
398	A	95.3	Very high	95.5	Very high	74 Å²	74	56 Å²	56	61%	0.612	31%	0.305	S	S	*	.			trans	-57.9	139.3	174.6	0	0	0	0	0	111.2	V390	V390-A398 HydrophobicContact CG2-CB 4.3Å
399	I	97.1	Very high	95	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.072	34%	0.338	C	S	.	.			trans	-120.5	146.4	176.3	60.1	-176.8	0	0	0	109.5	A360 L364 V370 L372 V386 L395 A397 L401	A360-I399 HydrophobicContact CB-CD1 4.28Å; L364-I399 HydrophobicContact CD1-CG2 3.73Å; L364-I399 HydrophobicContact CD2-CG2 4.16Å; L364-I399 HydrophobicContact CG-CG2 4.33Å; V370-I399 HydrophobicContact CB-CG2 4.2Å; L372-I399 HydrophobicContact CB-CD1 3.85Å; L372-I399 HydrophobicContact CB-CG1 4.38Å; V386-I399 HydrophobicContact CG1-CG1 4.09Å; L395-I399 HydrophobicContact CD2-CD1 4.09Å; L395-I399 HydrophobicContact CD2-CG1 4.1Å; A397-I399 PolarHBondContact O-N 3.31Å; I399-L401 PolarHBondContact O-N 3.12Å
400	P	97.6	Very high	94.8	Very high	75 Å²	75	65.6 Å²	65.6	49%	0.487	36%	0.364	S	S	.	.			trans	-59.3	133.3	171.2	-21.3	33.4	0	0	0	110.5	V370 T371 L372 V402	V370-P400 WeakPolarHBondContact O-CD 3.15Å; T371-P400 HydrophobicContact CG2-CB 4.37Å; L372-P400 PolarHBondContact N-O 2.8Å; P400-V402 HydrophobicContact CB-CG2 4.36Å
401	L	97.7	Very high	94.7	Very high	29 Å²	29	64.2 Å²	64.2	15%	0.152	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121	169.5	177.6	143.3	0	0	0	108.5	L372 T374 A379 N382 R383 I399	L372-L401 HydrophobicContact CD2-CD1 4.32Å; L372-L401 CarbonylContact O-C 3.52Å; L372-L401 VanDerWaalsContact O-CA 3.31Å; L372-L401 WeakPolarHBondContact O-CA 3.38Å; T374-L401 HydrophobicContact CG2-CD1 4.05Å; T374-L401 HydrophobicContact CG2-CD2 3.64Å; T374-L401 HydrophobicContact CG2-CG 3.74Å; A379-L401 HydrophobicContact CB-CD2 4.41Å; N382-L401 HydrophobicContact CB-CD1 3.61Å; R383-L401 HydrophobicContact CB-CD1 4.38Å; I399-L401 PolarHBondContact O-N 3.12Å
402	V	97.5	Very high	94.6	Very high	50 Å²	50	56.5 Å²	56.5	30%	0.303	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.5	-169.9	179.2	0	0	0	0	110.1	T371 L372 L373 T374 P400 F415	T371-V402 HydrophobicContact CG2-CB 4.07Å; T371-V402 HydrophobicContact CG2-CG2 3.71Å; L372-V402 PolarHBondContact O-N 3.1Å; L373-V402 WeakPolarHBondContact CA-O 3.41Å; L373-V402 HydrophobicContact CD2-CB 4.13Å; L373-V402 HydrophobicContact CD2-CG1 4.39Å; T374-V402 PolarHBondContact N-O 2.73Å; T374-V402 VanDerWaalsContact N-O 3.11Å; P400-V402 HydrophobicContact CB-CG2 4.36Å; V402-F415 HydrophobicContact CG1-CE2 3.61Å; V402-F415 HydrophobicContact CG1-CZ 3.77Å
403	I	97.3	Very high	94.6	Very high	43 Å²	43	57.1 Å²	57.1	22%	0.221	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.1	173.4	-60.1	157.2	0	0	0	107.7	T374 H376 A379 E405	T374-I403 HydrophobicContact CG2-CG1 4.16Å; H376-I403 HydrophobicContact CB-CG2 4Å; A379-I403 HydrophobicContact CB-CD1 3.64Å; A379-I403 HydrophobicContact CB-CG1 4.06Å; I403-E405 HydrophobicContact CG2-CG 4.5Å
404	F	95.4	Very high	94.6	Very high	7 Å²	7	59.5 Å²	59.5	3%	0.031	33%	0.329	C	S	.	.			trans	-90.1	121.8	167.5	171.1	-120	0	0	0	109.3	D406 A412 F415 I459 D461 L462	F404-D406 HydrophobicContact CE1-CB 4.2Å; F404-D406 HydrophobicContact CZ-CB 4.32Å; F404-A412 HydrophobicContact CE2-CB 4.45Å; F404-A412 HydrophobicContact CZ-CB 4.15Å; F404-F415 HydrophobicContact CB-CE2 4.46Å; F404-F415 HydrophobicContact CD2-CB 4Å; F404-F415 AromaticContact CD2-CD2 3.87Å; F404-F415 HydrophobicContact CD2-CD2 3.87Å; F404-F415 AromaticContact CD2-CG 3.91Å; F404-F415 HydrophobicContact CD2-CG 3.91Å; F404-F415 HydrophobicContact CE2-CB 4.11Å; F404-I459 HydrophobicContact CB-CG1 4.46Å; F404-D461 HydrophobicContact CE1-CB 4.43Å; F404-L462 HydrophobicContact CB-CD1 4.16Å; F404-L462 HydrophobicContact CD1-CD2 4.25Å; F404-L462 HydrophobicContact CD1-CG 4.19Å; F404-L462 HydrophobicContact CD2-CD1 4.47Å; F404-L462 HydrophobicContact CD2-CD2 3.65Å; F404-L462 HydrophobicContact CD2-CG 4.31Å; F404-L462 HydrophobicContact CE1-CD2 4.23Å; F404-L462 HydrophobicContact CE1-CG 4.44Å; F404-L462 HydrophobicContact CE2-CD2 3.65Å; F404-L462 HydrophobicContact CG-CD1 4.15Å; F404-L462 HydrophobicContact CG-CD2 3.96Å; F404-L462 HydrophobicContact CG-CG 4.12Å; F404-L462 HydrophobicContact CZ-CD2 3.94Å
405	E	91.6	Very high	94.6	Very high	99 Å²	99	60.7 Å²	60.7	46%	0.463	33%	0.334	S	S	.	.			trans	-104	114.3	174.9	-66.4	-179.4	-171.5	0	0	109.5	I403 R407	I403-E405 HydrophobicContact CG2-CG 4.5Å; E405-R407 HydrophobicContact CB-CG 4.35Å; E405-R407 PolarHBondContact O-N 3.25Å; E405-R407 IonicContact OE2-CZ 2.82Å; E405-R407 IonicContact OE2-NE 2.85Å; E405-R407 PolarHBondContact OE2-NE 2.89Å; E405-R407 IonicContact OE2-NH2 3.9Å; E405-R407 PolarHBondContact OE2-NH2 3.3Å
406	D	89.1	Confident	94.7	Very high	87 Å²	87	60.7 Å²	60.7	47%	0.465	33%	0.334	S	S	.	.			trans	-76.8	108.3	169.8	-178.7	15.5	0	0	0	109.9	F404 G408 P458	F404-D406 HydrophobicContact CE1-CB 4.2Å; F404-D406 HydrophobicContact CZ-CB 4.32Å; D406-G408 PolarHBondContact OD1-N 3.2Å; D406-P458 HydrophobicContact CB-CG 4.05Å
407	R	91.2	Very high	94.9	Very high	206 Å²	206	57 Å²	57	78%	0.777	32%	0.317	S	S	*	.			trans	-111.1	13.1	176.1	-59.1	-176.5	179.5	-165.5	0.6	111.9	E405 S411	E405-R407 HydrophobicContact CB-CG 4.35Å; E405-R407 PolarHBondContact O-N 3.25Å; E405-R407 IonicContact OE2-CZ 2.82Å; E405-R407 IonicContact OE2-NE 2.85Å; E405-R407 PolarHBondContact OE2-NE 2.89Å; E405-R407 IonicContact OE2-NH2 3.9Å; E405-R407 PolarHBondContact OE2-NH2 3.3Å; R407-S411 WeakPolarHBondContact CA-OG 3.39Å; R407-S411 PolarHBondContact N-OG 3.21Å
408	G	91.1	Very high	94.8	Very high	28 Å²	28	59.2 Å²	59.2	29%	0.289	32%	0.321	S	S	.	.	S	Bend	trans	132	-178.8	-175.2	0	0	0	0	0	113.7	D406 D410 S411	D406-G408 PolarHBondContact OD1-N 3.2Å; G408-D410 VanDerWaalsContact C-N 3.27Å; G408-D410 PolarHBondContact O-N 2.77Å; G408-D410 VanDerWaalsContact O-N 3.11Å; G408-S411 PolarHBondContact N-OG 2.97Å; G408-S411 VanDerWaalsContact N-OG 3.1Å; G408-S411 VanDerWaalsContact O-CB 3.26Å; G408-S411 WeakPolarHBondContact O-CB 3.43Å; G408-S411 PolarHBondContact O-N 3.38Å; G408-S411 PolarHBondContact O-OG 3.41Å
409	P	88.8	Confident	94.5	Very high	127 Å²	127	63.9 Å²	63.9	83%	0.825	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.4	-165.1	23.7	-34.6	0	0	0	114.7
410	D	92.4	Very high	94.3	Very high	105 Å²	105	64 Å²	64	56%	0.561	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.1	-177.8	-58	-44.8	0	0	0	113.5	G408 A412 M413 H414	G408-D410 VanDerWaalsContact C-N 3.27Å; G408-D410 PolarHBondContact O-N 2.77Å; G408-D410 VanDerWaalsContact O-N 3.11Å; D410-A412 VanDerWaalsContact C-N 3.34Å; D410-A412 PolarHBondContact O-N 3.48Å; D410-M413 PolarHBondContact O-N 2.9Å; D410-H414 PolarHBondContact O-CD2 3.46Å; D410-H414 VanDerWaalsContact O-CD2 3.29Å; D410-H414 PolarHBondContact O-N 3.26Å
411	S	95.9	Very high	94.1	Very high	20 Å²	20	62.7 Å²	62.7	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-44.4	-172.9	-55.7	0	0	0	0	112	R407 G408 M413 H414 F415	R407-S411 WeakPolarHBondContact CA-OG 3.39Å; R407-S411 PolarHBondContact N-OG 3.21Å; G408-S411 PolarHBondContact N-OG 2.97Å; G408-S411 VanDerWaalsContact N-OG 3.1Å; G408-S411 VanDerWaalsContact O-CB 3.26Å; G408-S411 WeakPolarHBondContact O-CB 3.43Å; G408-S411 PolarHBondContact O-N 3.38Å; G408-S411 PolarHBondContact O-OG 3.41Å; S411-M413 PolarHBondContact O-N 3.27Å; S411-H414 PolarHBondContact O-N 2.96Å; S411-F415 WeakPolarHBondContact O-CB 3.46Å; S411-F415 PolarHBondContact O-N 3.24Å
412	A	96.8	Very high	93.8	Very high	10 Å²	10	63.9 Å²	63.9	8%	0.083	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-42.4	179.4	0	0	0	0	0	111.9	F404 D410 F415 L416 D461 L462 A465	F404-A412 HydrophobicContact CE2-CB 4.45Å; F404-A412 HydrophobicContact CZ-CB 4.15Å; D410-A412 VanDerWaalsContact C-N 3.34Å; D410-A412 PolarHBondContact O-N 3.48Å; A412-F415 WeakPolarHBondContact O-CB 3.19Å; A412-F415 PolarHBondContact O-N 3.43Å; A412-L416 WeakPolarHBondContact O-CB 3.36Å; A412-L416 VanDerWaalsContact O-CG 3.3Å; A412-L416 WeakPolarHBondContact O-CG 3.41Å; A412-L416 PolarHBondContact O-N 3.42Å; A412-D461 HydrophobicContact CB-CB 4.49Å; A412-L462 HydrophobicContact CB-CD2 3.79Å; A412-A465 HydrophobicContact CB-CB 3.64Å
413	M	95.9	Very high	93.5	Very high	48 Å²	48	66.7 Å²	66.7	24%	0.236	35%	0.35	C	S	.	.	H	α-helix	trans	-65.2	-43.8	177.1	-170.4	58.1	65.6	0	0	111.4	D410 S411 F415 L416 C417 G420 P422 I469	D410-M413 PolarHBondContact O-N 2.9Å; S411-M413 PolarHBondContact O-N 3.27Å; M413-F415 VanDerWaalsContact C-N 3.28Å; M413-F415 PolarHBondContact O-N 3.03Å; M413-L416 PolarHBondContact O-N 2.83Å; M413-C417 VanDerWaalsContact O-CB 3.28Å; M413-C417 WeakPolarHBondContact O-CB 3.31Å; M413-C417 PolarHBondContact O-N 2.98Å; M413-C417 HydrophobicContact SD-CB 4.38Å; M413-G420 WeakPolarHBondContact CG-O 3.26Å; M413-P422 HydrophobicContact SD-CB 4.35Å; M413-I469 HydrophobicContact CE-CD1 4.03Å; M413-I469 HydrophobicContact CE-CG1 3.8Å; M413-I469 HydrophobicContact SD-CD1 3.74Å; M413-I469 HydrophobicContact SD-CG1 3.85Å
414	H	95.8	Very high	93.4	Very high	95 Å²	95	70 Å²	70	44%	0.44	36%	0.363	S	S	.	.	H	α-helix	trans	-65.8	-30.5	175.8	-81	-61.9	0	0	0	113.8	D410 S411 H419 G420 R426	D410-H414 PolarHBondContact O-CD2 3.46Å; D410-H414 VanDerWaalsContact O-CD2 3.29Å; D410-H414 PolarHBondContact O-N 3.26Å; S411-H414 PolarHBondContact O-N 2.96Å; H414-H419 PolarHBondContact CE1-O 3.48Å; H414-G420 PolarHBondContact ND1-N 3.16Å; H414-R426 PolarHBondContact O-NH2 3.1Å
415	F	97.1	Very high	93.4	Very high	35 Å²	35	71.5 Å²	71.5	15%	0.154	37%	0.373	C	S	.	.	H	α-helix	trans	-68.7	-49.9	173.4	-173.4	-88.9	0	0	0	111	L373 V402 F404 S411 A412 M413 R426 F427 L462	L373-F415 HydrophobicContact CD1-CE1 4.47Å; L373-F415 HydrophobicContact CD2-CE1 3.92Å; L373-F415 HydrophobicContact CD2-CZ 3.47Å; L373-F415 VanDerWaalsContact CD2-CZ 3.47Å; V402-F415 HydrophobicContact CG1-CE2 3.61Å; V402-F415 HydrophobicContact CG1-CZ 3.77Å; F404-F415 HydrophobicContact CB-CE2 4.46Å; F404-F415 HydrophobicContact CD2-CB 4Å; F404-F415 AromaticContact CD2-CD2 3.87Å; F404-F415 HydrophobicContact CD2-CD2 3.87Å; F404-F415 AromaticContact CD2-CG 3.91Å; F404-F415 HydrophobicContact CD2-CG 3.91Å; F404-F415 HydrophobicContact CE2-CB 4.11Å; S411-F415 WeakPolarHBondContact O-CB 3.46Å; S411-F415 PolarHBondContact O-N 3.24Å; A412-F415 WeakPolarHBondContact O-CB 3.19Å; A412-F415 PolarHBondContact O-N 3.43Å; M413-F415 VanDerWaalsContact C-N 3.28Å; M413-F415 PolarHBondContact O-N 3.03Å; F415-R426 WeakPolarHBondContact O-CD 3.49Å; F415-R426 PolarHBondContact O-NE 3.14Å; F415-F427 HydrophobicContact CD1-CE2 4.29Å; F415-F427 AromaticContact CE1-CE2 3.72Å; F415-F427 HydrophobicContact CE1-CE2 3.72Å; F415-F427 HydrophobicContact CE1-CZ 4.36Å; F415-F427 HydrophobicContact CZ-CE2 4.4Å; F415-L462 HydrophobicContact CB-CD2 3.99Å; F415-L462 HydrophobicContact CD1-CD1 3.72Å; F415-L462 HydrophobicContact CD1-CD2 3.73Å; F415-L462 HydrophobicContact CD1-CG 4.4Å; F415-L462 HydrophobicContact CE1-CD1 3.74Å; F415-L462 HydrophobicContact CG-CD2 4.01Å
416	L	97.4	Very high	93.7	Very high	2 Å²	2	71.4 Å²	71.4	1%	0.01	37%	0.369	C	S	.	.	H	α-helix	trans	-76.8	-24.4	-175.2	-65.7	172.4	0	0	0	113.5	A412 M413 P425 R426 F427 L430 L462 A465 A466 I469	A412-L416 WeakPolarHBondContact O-CB 3.36Å; A412-L416 VanDerWaalsContact O-CG 3.3Å; A412-L416 WeakPolarHBondContact O-CG 3.41Å; A412-L416 PolarHBondContact O-N 3.42Å; M413-L416 PolarHBondContact O-N 2.83Å; L416-P425 CarbonylContact O-C 3.55Å; L416-P425 WeakPolarHBondContact O-CA 3.48Å; L416-R426 WeakPolarHBondContact O-CB 3.47Å; L416-R426 WeakPolarHBondContact O-CG 3.32Å; L416-R426 PolarHBondContact O-N 3.05Å; L416-F427 HydrophobicContact CD2-CD2 4.12Å; L416-L430 HydrophobicContact CD1-CD1 4.47Å; L416-L430 HydrophobicContact CD2-CD1 3.77Å; L416-L430 HydrophobicContact CD2-CD2 3.82Å; L416-L430 HydrophobicContact CD2-CG 4.35Å; L416-L462 HydrophobicContact CD1-CB 4.41Å; L416-L462 VanDerWaalsContact CD1-O 3.29Å; L416-L462 WeakPolarHBondContact CD1-O 3.42Å; L416-L462 HydrophobicContact CD2-CB 4.46Å; L416-L462 HydrophobicContact CG-CD2 4.25Å; L416-A465 HydrophobicContact CD1-CB 3.85Å; L416-A466 HydrophobicContact CD1-CB 4.2Å; L416-I469 HydrophobicContact CB-CD1 3.7Å; L416-I469 HydrophobicContact CD1-CD1 3.72Å; L416-I469 HydrophobicContact CG-CD1 4.38Å
417	C	96.6	Very high	94.1	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-126.9	146.9	-172.8	-68.7	0	0	0	0	112.9	M413 H419 G420 D421 K424 R426	M413-C417 VanDerWaalsContact O-CB 3.28Å; M413-C417 WeakPolarHBondContact O-CB 3.31Å; M413-C417 PolarHBondContact O-N 2.98Å; M413-C417 HydrophobicContact SD-CB 4.38Å; C417-H419 PolarHBondContact O-N 3.47Å; C417-H419 VanDerWaalsContact O-N 3.15Å; C417-G420 PolarHBondContact O-N 3.41Å; C417-D421 WeakPolarHBondContact CB-O 3.16Å; C417-D421 PolarHBondContact SG-O 2.91Å; C417-K424 WeakPolarHBondContact CA-O 3.36Å; C417-R426 PolarHBondContact O-NE 2.89Å; C417-R426 PolarHBondContact O-NH2 2.92Å
418	H	93.4	Very high	94.4	Very high	90 Å²	90	60.3 Å²	60.3	42%	0.417	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-64.4	117.4	172.8	-73.9	-75.2	0	0	0	110	G420 D421 K424	H418-G420 PolarHBondContact O-N 3.45Å; H418-G420 VanDerWaalsContact O-N 3.14Å; H418-D421 WeakPolarHBondContact O-CB 3.45Å; H418-D421 PolarHBondContact O-N 3.35Å; H418-D421 VanDerWaalsContact O-N 3.1Å; H418-K424 HydrophobicContact CB-CB 4.17Å; H418-K424 PolarHBondContact N-O 3.21Å
419	H	89.6	Confident	94.8	Very high	172 Å²	172	59 Å²	59	80%	0.796	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	56	22.7	-175	-53.4	-75.2	0	0	0	114.7	H414 C417 D421	H414-H419 PolarHBondContact CE1-O 3.48Å; C417-H419 PolarHBondContact O-N 3.47Å; C417-H419 VanDerWaalsContact O-N 3.15Å; H419-D421 VanDerWaalsContact C-N 3.29Å
420	G	91.3	Very high	95.3	Very high	17 Å²	17	53 Å²	53	18%	0.175	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	75.8	12.7	-177.3	0	0	0	0	0	114.5	M413 H414 C417 H418 P422	M413-G420 WeakPolarHBondContact CG-O 3.26Å; H414-G420 PolarHBondContact ND1-N 3.16Å; C417-G420 PolarHBondContact O-N 3.41Å; H418-G420 PolarHBondContact O-N 3.45Å; H418-G420 VanDerWaalsContact O-N 3.14Å; G420-P422 VanDerWaalsContact O-CD 3.3Å; G420-P422 WeakPolarHBondContact O-CD 3.48Å
421	D	93.4	Very high	95.6	Very high	46 Å²	46	48.1 Å²	48.1	25%	0.246	25%	0.245	C	C	.	.			trans	-82.9	108.8	178.6	-179.6	-5.3	0	0	0	111.1	C417 H418 H419 T423 K424	C417-D421 WeakPolarHBondContact CB-O 3.16Å; C417-D421 PolarHBondContact SG-O 2.91Å; H418-D421 WeakPolarHBondContact O-CB 3.45Å; H418-D421 PolarHBondContact O-N 3.35Å; H418-D421 VanDerWaalsContact O-N 3.1Å; H419-D421 VanDerWaalsContact C-N 3.29Å; D421-T423 PolarHBondContact O-N 3.22Å; D421-T423 WeakPolarHBondContact OD1-CB 3.32Å; D421-T423 PolarHBondContact OD1-N 3.35Å; D421-T423 PolarHBondContact OD1-OG1 3.11Å; D421-T423 PolarHBondContact OD2-OG1 2.69Å; D421-K424 HydrophobicContact CB-CB 4.49Å; D421-K424 CarbonylContact O-C 3.56Å; D421-K424 PolarHBondContact O-N 3.03Å; D421-K424 WeakPolarHBondContact OD2-CE 3.3Å; D421-K424 IonicContact OD2-NZ 3.34Å; D421-K424 PolarHBondContact OD2-NZ 3.17Å
422	P	92.9	Very high	95.7	Very high	55 Å²	55	47.2 Å²	47.2	36%	0.357	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.2	-177.1	27.5	-35.3	0	0	0	113.6	M413 G420 K424 I469	M413-P422 HydrophobicContact SD-CB 4.35Å; G420-P422 VanDerWaalsContact O-CD 3.3Å; G420-P422 WeakPolarHBondContact O-CD 3.48Å; P422-K424 VanDerWaalsContact C-N 3.26Å; P422-I469 HydrophobicContact CB-CG1 4.48Å; P422-I469 HydrophobicContact CB-CG2 4.3Å; P422-I469 WeakPolarHBondContact O-CG2 3.46Å
423	T	91.4	Very high	95.8	Very high	109 Å²	109	46.7 Å²	46.7	67%	0.669	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.1	173.1	72	0	0	0	0	113.2	D421 P425	D421-T423 PolarHBondContact O-N 3.22Å; D421-T423 WeakPolarHBondContact OD1-CB 3.32Å; D421-T423 PolarHBondContact OD1-N 3.35Å; D421-T423 PolarHBondContact OD1-OG1 3.11Å; D421-T423 PolarHBondContact OD2-OG1 2.69Å; T423-P425 VanDerWaalsContact C-CD 3.46Å
424	K	94.1	Very high	95.9	Very high	112 Å²	112	44.7 Å²	44.7	49%	0.487	23%	0.225	S	C	.	.	S	Bend	trans	-129.5	64.5	-177.9	-62.4	178.7	-169.7	122.2	0	111.4	C417 H418 D421 P422	C417-K424 WeakPolarHBondContact CA-O 3.36Å; H418-K424 HydrophobicContact CB-CB 4.17Å; H418-K424 PolarHBondContact N-O 3.21Å; D421-K424 HydrophobicContact CB-CB 4.49Å; D421-K424 CarbonylContact O-C 3.56Å; D421-K424 PolarHBondContact O-N 3.03Å; D421-K424 WeakPolarHBondContact OD2-CE 3.3Å; D421-K424 IonicContact OD2-NZ 3.34Å; D421-K424 PolarHBondContact OD2-NZ 3.17Å; P422-K424 VanDerWaalsContact C-N 3.26Å
425	P	96.7	Very high	96	Very high	39 Å²	39	40.2 Å²	40.2	25%	0.253	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-63.9	147.2	175.9	29	-35.1	0	0	0	111.5	L416 T423 I469 V472	L416-P425 CarbonylContact O-C 3.55Å; L416-P425 WeakPolarHBondContact O-CA 3.48Å; T423-P425 VanDerWaalsContact C-CD 3.46Å; P425-I469 HydrophobicContact CB-CG2 4.2Å; P425-V472 HydrophobicContact CB-CG2 3.6Å; P425-V472 HydrophobicContact CG-CG2 4.26Å
426	R	97.1	Very high	96	Very high	96 Å²	96	38.5 Å²	38.5	36%	0.362	20%	0.197	S	C	.	.	S	Bend	trans	-85.9	-26.5	174.6	-59.1	-172	-165.6	-123.3	4.2	112.2	S331 H414 F415 L416 C417	S331-R426 WeakPolarHBondContact CB-O 3.33Å; S331-R426 PolarHBondContact OG-O 3.21Å; H414-R426 PolarHBondContact O-NH2 3.1Å; F415-R426 WeakPolarHBondContact O-CD 3.49Å; F415-R426 PolarHBondContact O-NE 3.14Å; L416-R426 WeakPolarHBondContact O-CB 3.47Å; L416-R426 WeakPolarHBondContact O-CG 3.32Å; L416-R426 PolarHBondContact O-N 3.05Å; C417-R426 PolarHBondContact O-NE 2.89Å; C417-R426 PolarHBondContact O-NH2 2.92Å
427	F	97.8	Very high	96.1	Very high	17 Å²	17	38.5 Å²	38.5	8%	0.075	20%	0.197	C	C	.	.			trans	-127.6	141	-177.9	-53.8	-73.2	0	0	0	109.2	A333 T371 F415 L416 L430 V472	A333-F427 HydrophobicContact CB-CD1 3.78Å; A333-F427 HydrophobicContact CB-CD2 4.44Å; A333-F427 HydrophobicContact CB-CE1 3.92Å; A333-F427 HydrophobicContact CB-CG 4.05Å; A333-F427 HydrophobicContact CB-CZ 4.31Å; T371-F427 HydrophobicContact CG2-CE1 4.37Å; T371-F427 HydrophobicContact CG2-CZ 4.44Å; F415-F427 HydrophobicContact CD1-CE2 4.29Å; F415-F427 AromaticContact CE1-CE2 3.72Å; F415-F427 HydrophobicContact CE1-CE2 3.72Å; F415-F427 HydrophobicContact CE1-CZ 4.36Å; F415-F427 HydrophobicContact CZ-CE2 4.4Å; L416-F427 HydrophobicContact CD2-CD2 4.12Å; F427-L430 HydrophobicContact CB-CD2 3.99Å; F427-L430 HydrophobicContact CD2-CD2 4.29Å; F427-L430 HydrophobicContact CG-CD2 4.25Å; F427-V472 WeakPolarHBondContact O-CG2 3.36Å
428	D	97.8	Very high	96.1	Very high	44 Å²	44	41 Å²	41	24%	0.235	21%	0.206	C	C	.	.	S	Bend	trans	-92.6	-22.7	173.8	-49.7	-46.5	0	0	0	110.5	S330 S331 V472 M473	S330-D428 VanDerWaalsContact CA-OD2 3.3Å; S330-D428 WeakPolarHBondContact CA-OD2 3.42Å; S330-D428 WeakPolarHBondContact CB-OD2 3.43Å; S330-D428 PolarHBondContact N-OD2 2.95Å; S331-D428 PolarHBondContact N-OD2 3.29Å; S331-D428 PolarHBondContact O-N 3.34Å; D428-V472 WeakPolarHBondContact O-CA 3.39Å; D428-M473 PolarHBondContact O-N 3.09Å
429	H	98.7	Very high	96.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	130.4	-177.8	-152	154.9	0	0	0	112	L326 S331 V332 A333 M473 T475	L326-H429 HydrophobicContact CD2-CB 4.14Å; L326-H429 VanDerWaalsContact CD2-ND1 3.3Å; L326-H429 WeakPolarHBondContact CD2-ND1 3.44Å; L326-H429 WeakPolarHBondContact CG-ND1 3.27Å; S331-H429 PolarHBondContact O-N 3.38Å; V332-H429 WeakPolarHBondContact CA-O 3.5Å; V332-H429 HydrophobicContact CG1-CB 4.47Å; V332-H429 HydrophobicContact CG2-CB 4.38Å; A333-H429 PolarHBondContact N-O 3.29Å; H429-M473 CarbonylContact C-O 3.59Å; H429-M473 VanDerWaalsContact CA-O 3.28Å; H429-M473 WeakPolarHBondContact CA-O 3.49Å; H429-M473 HydrophobicContact CB-CB 4.39Å; H429-M473 VanDerWaalsContact CD2-C 3.48Å; H429-M473 PolarHBondContact CD2-O 3.43Å; H429-T475 PolarHBondContact CE1-OG1 3.21Å; H429-T475 PolarHBondContact NE2-OG1 3.19Å
430	L	98.9	Very high	96.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.4	167.2	-47.4	-178.1	0	0	0	110.1	A333 L416 F427 L462 F463 A466 V472 M473 T474 T475	A333-L430 HydrophobicContact CB-CD2 3.74Å; A333-L430 CarbonylContact O-C 3.55Å; A333-L430 WeakPolarHBondContact O-CA 3.42Å; L416-L430 HydrophobicContact CD1-CD1 4.47Å; L416-L430 HydrophobicContact CD2-CD1 3.77Å; L416-L430 HydrophobicContact CD2-CD2 3.82Å; L416-L430 HydrophobicContact CD2-CG 4.35Å; F427-L430 HydrophobicContact CB-CD2 3.99Å; F427-L430 HydrophobicContact CD2-CD2 4.29Å; F427-L430 HydrophobicContact CG-CD2 4.25Å; L430-L462 HydrophobicContact CD1-CB 4.16Å; L430-F463 HydrophobicContact CB-CE1 4.36Å; L430-F463 HydrophobicContact CB-CE2 4.02Å; L430-F463 HydrophobicContact CB-CZ 3.86Å; L430-F463 HydrophobicContact CD1-CD2 4.28Å; L430-F463 HydrophobicContact CD1-CE2 4.38Å; L430-A466 HydrophobicContact CD1-CB 3.86Å; L430-V472 HydrophobicContact CG-CG1 4.37Å; L430-M473 PolarHBondContact N-O 2.93Å; L430-T474 HydrophobicContact CB-CG2 4.32Å; L430-T474 HydrophobicContact CD1-CG2 4.37Å; L430-T474 CarbonylContact O-C 3.56Å; L430-T474 WeakPolarHBondContact O-CA 3.38Å; L430-T475 PolarHBondContact O-N 2.93Å
431	V	98.9	Very high	97	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.1	178.1	-176.8	0	0	0	0	109.2	L326 V332 A333 I334 V335 M359 T475 I477	L326-V431 HydrophobicContact CD2-CG2 4.02Å; V332-V431 HydrophobicContact CG1-CG2 4.02Å; A333-V431 PolarHBondContact O-N 3.5Å; I334-V431 CarbonylContact C-O 3.55Å; I334-V431 VanDerWaalsContact CA-O 3.3Å; I334-V431 WeakPolarHBondContact CA-O 3.15Å; I334-V431 HydrophobicContact CG1-CB 4.37Å; V335-V431 PolarHBondContact N-O 2.91Å; M359-V431 HydrophobicContact CE-CG1 3.9Å; M359-V431 HydrophobicContact SD-CG1 4.22Å; V431-T475 CarbonylContact C-O 3.56Å; V431-T475 WeakPolarHBondContact CA-O 3.39Å; V431-T475 HydrophobicContact CG1-CG2 4.46Å; V431-I477 HydrophobicContact CG1-CD1 4.24Å
432	A	98.9	Very high	97.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.3	168.3	0	0	0	0	0	108.8	V335 R435 F463 T475 G476 I477 L484	V335-A432 HydrophobicContact CG1-CB 3.7Å; V335-A432 WeakPolarHBondContact O-CA 3.5Å; A432-R435 HydrophobicContact CB-CB 4.11Å; A432-F463 HydrophobicContact CB-CE1 3.93Å; A432-F463 HydrophobicContact CB-CE2 4.28Å; A432-F463 HydrophobicContact CB-CZ 3.5Å; A432-T475 PolarHBondContact N-O 3.03Å; A432-G476 CarbonylContact O-C 3.54Å; A432-I477 PolarHBondContact O-N 2.87Å; A432-L484 HydrophobicContact CB-CB 3.91Å; A432-L484 HydrophobicContact CB-CD2 4.07Å; A432-L484 HydrophobicContact CB-CG 3.82Å
433	I	98.8	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	118.4	175.4	-179.3	174.3	0	0	0	109.4	I334 V335 T336 A356 M359 R435 I477 S518	I334-I433 HydrophobicContact CG2-CG2 4.2Å; V335-I433 PolarHBondContact O-N 2.9Å; T336-I433 VanDerWaalsContact CA-O 3.23Å; T336-I433 WeakPolarHBondContact CA-O 3.48Å; T336-I433 WeakPolarHBondContact CB-O 3.45Å; T336-I433 PolarHBondContact OG1-O 3.29Å; A356-I433 HydrophobicContact CB-CG2 3.71Å; M359-I433 HydrophobicContact CE-CB 4.1Å; M359-I433 HydrophobicContact CE-CD1 3.8Å; M359-I433 HydrophobicContact CE-CG2 3.83Å; I433-R435 PolarHBondContact O-N 3.37Å; I433-I477 HydrophobicContact CB-CB 4.02Å; I433-I477 HydrophobicContact CB-CD1 4.32Å; I433-I477 HydrophobicContact CD1-CD1 4.27Å; I433-I477 HydrophobicContact CD1-CG2 4.27Å; I433-I477 HydrophobicContact CG1-CB 3.94Å; I433-I477 HydrophobicContact CG1-CD1 4.39Å; I433-I477 HydrophobicContact CG1-CG2 3.89Å; I433-S518 WeakPolarHBondContact CD1-O 3.43Å
434	E	98	Very high	97.7	Very high	5 Å²	5	31 Å²	31	2%	0.023	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	46.5	51.8	-173	-157.2	50.5	-129	0	0	111.5	G337 F338 D351 I477 S518	G337-E434 CarbonylContact C-O 3.53Å; G337-E434 VanDerWaalsContact C-O 3.23Å; G337-E434 PolarHBondContact N-O 2.82Å; F338-E434 HydrophobicContact CB-CG 4.08Å; F338-E434 WeakPolarHBondContact CD2-OE1 3.09Å; F338-E434 PolarHBondContact N-O 3.27Å; D351-E434 HydrophobicContact CB-CG 3.92Å; D351-E434 WeakPolarHBondContact O-CB 3.28Å; D351-E434 WeakPolarHBondContact O-CG 3.15Å; E434-I477 PolarHBondContact N-O 3.47Å; E434-I477 VanDerWaalsContact N-O 3.1Å; E434-S518 VanDerWaalsContact OE2-CB 3.32Å; E434-S518 WeakPolarHBondContact OE2-CB 3.34Å; E434-S518 PolarHBondContact OE2-OG 2.88Å
435	R	97.9	Very high	97.9	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.4	176	170.1	54.9	-172.7	-177.4	-11.4	107	V335 G337 D375 A432 I433 G437 D457 E483 L484	V335-R435 HydrophobicContact CG1-CB 4.26Å; V335-R435 HydrophobicContact CG1-CG 4.08Å; V335-R435 HydrophobicContact CG2-CG 4.09Å; G337-R435 WeakPolarHBondContact O-CD 3.03Å; G337-R435 PolarHBondContact O-NH1 3.24Å; D375-R435 IonicContact OD1-CZ 3.97Å; D375-R435 IonicContact OD1-NH1 2.79Å; D375-R435 PolarHBondContact OD1-NH1 3.14Å; D375-R435 IonicContact OD1-NH2 3.71Å; D375-R435 PolarHBondContact OD1-NH2 3.4Å; D375-R435 IonicContact OD2-CZ 3.6Å; D375-R435 IonicContact OD2-NH1 3.26Å; D375-R435 PolarHBondContact OD2-NH1 3.5Å; D375-R435 IonicContact OD2-NH2 3.4Å; A432-R435 HydrophobicContact CB-CB 4.11Å; I433-R435 PolarHBondContact O-N 3.37Å; R435-G437 PolarHBondContact O-N 3.15Å; R435-D457 PolarHBondContact NH2-O 3.23Å; R435-E483 CarbonylContact O-C 3.54Å; R435-E483 WeakPolarHBondContact O-CA 3.39Å; R435-E483 WeakPolarHBondContact O-CB 3.42Å; R435-L484 HydrophobicContact CB-CB 4.32Å; R435-L484 HydrophobicContact CG-CB 4.02Å; R435-L484 HydrophobicContact CG-CD2 3.98Å; R435-L484 PolarHBondContact O-N 3.01Å
436	S	97.3	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-53.9	129.6	176.5	59.3	0	0	0	0	111.9	V456	S436-V456 WeakPolarHBondContact OG-CG1 3.34Å; S436-V456 WeakPolarHBondContact OG-CG2 3.24Å
437	G	97.8	Very high	97.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-99.7	146	179.7	0	0	0	0	0	112.6	R435 A439 Y444 D460 N482	R435-G437 PolarHBondContact O-N 3.15Å; G437-A439 PolarHBondContact O-N 3.34Å; G437-Y444 WeakPolarHBondContact O-CD1 3.38Å; G437-D460 WeakPolarHBondContact CA-OD1 3.44Å; G437-N482 WeakPolarHBondContact CA-O 3.39Å; G437-N482 PolarHBondContact N-O 3.48Å
438	R	97.8	Very high	97.3	Very high	52 Å²	52	27.2 Å²	27.2	20%	0.196	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-66.2	127.7	175.6	-171.9	-178.3	-64.3	168.6	3	110.7	Y444 D460 D461 D506 V507	R438-Y444 HydrophobicContact CB-CE1 3.81Å; R438-Y444 VanDerWaalsContact N-CE1 3.35Å; R438-Y444 PolarHBondContact NE-OH 3.25Å; R438-Y444 PolarHBondContact NH2-OH 2.86Å; R438-D460 HydrophobicContact CB-CB 4.49Å; R438-D460 PolarHBondContact N-OD1 3.39Å; R438-D461 IonicContact CZ-OD1 3.78Å; R438-D461 VanDerWaalsContact CZ-OD1 3.24Å; R438-D461 IonicContact NH1-OD1 4Å; R438-D461 PolarHBondContact NH1-OD1 3.46Å; R438-D461 VanDerWaalsContact NH2-CG 3.3Å; R438-D461 IonicContact NH2-OD1 3.07Å; R438-D461 PolarHBondContact NH2-OD1 3.14Å; R438-D461 IonicContact NH2-OD2 3.87Å; R438-D461 PolarHBondContact NH2-OD2 3.03Å; R438-D506 WeakPolarHBondContact O-CB 3.28Å; R438-D506 PolarHBondContact O-N 3.02Å; R438-V507 HydrophobicContact CB-CG2 4.31Å
439	A	98.4	Very high	97.1	Very high	3 Å²	3	26 Å²	26	3%	0.025	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-80.3	171.5	172.4	0	0	0	0	0	111.9	G437 D441 G442 N443 Y445 L502	G437-A439 PolarHBondContact O-N 3.34Å; A439-D441 PolarHBondContact O-N 2.97Å; A439-D441 VanDerWaalsContact O-N 3.1Å; A439-G442 PolarHBondContact O-N 3.35Å; A439-N443 PolarHBondContact N-O 2.8Å; A439-Y445 HydrophobicContact CB-CD2 3.79Å; A439-Y445 HydrophobicContact CB-CE2 3.96Å; A439-L502 WeakPolarHBondContact CB-O 3.32Å
440	Q	97.5	Very high	97	Very high	128 Å²	128	29.5 Å²	29.5	60%	0.598	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.9	-174	-177	171.9	6	0	0	114.3	G442	Q440-G442 VanDerWaalsContact C-N 3.28Å
441	D	97.3	Very high	96.8	Very high	87 Å²	87	32.7 Å²	32.7	47%	0.465	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	4.7	178.7	72.9	-17.4	0	0	0	113.5	A439 N443 Y445	A439-D441 PolarHBondContact O-N 2.97Å; A439-D441 VanDerWaalsContact O-N 3.1Å; D441-N443 VanDerWaalsContact C-N 3.3Å; D441-N443 PolarHBondContact O-N 3.49Å; D441-N443 WeakPolarHBondContact OD1-CB 3.44Å; D441-N443 PolarHBondContact OD1-N 2.93Å; D441-N443 PolarHBondContact OD2-ND2 2.84Å; D441-Y445 PolarHBondContact OD2-OH 2.8Å
442	G	96.6	Very high	96.7	Very high	20 Å²	20	32.6 Å²	32.6	21%	0.206	16%	0.164	C	C	.	.	S	Bend	trans	78.1	9.5	-178.3	0	0	0	0	0	114.6	A439 Q440 K453	A439-G442 PolarHBondContact O-N 3.35Å; Q440-G442 VanDerWaalsContact C-N 3.28Å; G442-K453 PolarHBondContact O-NZ 2.95Å
443	N	97.8	Very high	96.6	Very high	36 Å²	36	37.3 Å²	37.3	19%	0.193	18%	0.184	C	C	.	.			trans	-95.8	177.2	171.2	-67.8	-55.8	0	0	0	112.1	A439 D441 Y445 N451 K453	A439-N443 PolarHBondContact N-O 2.8Å; D441-N443 VanDerWaalsContact C-N 3.3Å; D441-N443 PolarHBondContact O-N 3.49Å; D441-N443 WeakPolarHBondContact OD1-CB 3.44Å; D441-N443 PolarHBondContact OD1-N 2.93Å; D441-N443 PolarHBondContact OD2-ND2 2.84Å; N443-Y445 HydrophobicContact CB-CD2 4.41Å; N443-Y445 HydrophobicContact CB-CE2 3.55Å; N443-Y445 PolarHBondContact ND2-OH 2.87Å; N443-N451 WeakPolarHBondContact CB-ND2 3.35Å; N443-N451 PolarHBondContact OD1-ND2 3.43Å; N443-N451 VanDerWaalsContact OD1-ND2 3.13Å; N443-K453 VanDerWaalsContact OD1-CD 3.23Å; N443-K453 WeakPolarHBondContact OD1-CD 3.26Å
444	Y	97.9	Very high	96.4	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.02	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-126	132.3	177.8	-63.5	-94.1	0	0	0	108	G437 R438 N451 I452 K453 V456 D460	G437-Y444 WeakPolarHBondContact O-CD1 3.38Å; R438-Y444 HydrophobicContact CB-CE1 3.81Å; R438-Y444 VanDerWaalsContact N-CE1 3.35Å; R438-Y444 PolarHBondContact NE-OH 3.25Å; R438-Y444 PolarHBondContact NH2-OH 2.86Å; Y444-N451 CarbonylContact O-C 3.36Å; Y444-N451 VanDerWaalsContact O-CA 3.32Å; Y444-N451 WeakPolarHBondContact O-CA 3.41Å; Y444-I452 WeakPolarHBondContact O-CG1 3.43Å; Y444-I452 PolarHBondContact O-N 2.79Å; Y444-K453 HydrophobicContact CD2-CB 3.93Å; Y444-K453 HydrophobicContact CD2-CG 3.94Å; Y444-K453 HydrophobicContact CE2-CG 4.35Å; Y444-V456 HydrophobicContact CD1-CB 4.44Å; Y444-V456 HydrophobicContact CD1-CG1 3.67Å; Y444-V456 HydrophobicContact CD2-CB 4.42Å; Y444-V456 HydrophobicContact CD2-CG1 4.29Å; Y444-V456 HydrophobicContact CE1-CG1 3.69Å; Y444-V456 HydrophobicContact CE2-CG1 4.32Å; Y444-V456 HydrophobicContact CG-CB 4.26Å; Y444-V456 HydrophobicContact CG-CG1 3.97Å; Y444-D460 WeakPolarHBondContact CE1-OD2 3.43Å; Y444-D460 VanDerWaalsContact CZ-OD2 3.32Å; Y444-D460 PolarHBondContact OH-OD2 3.5Å
445	Y	97.3	Very high	96.2	Very high	23 Å²	23	44.6 Å²	44.6	9%	0.09	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-128.9	137.3	-176.2	-61.7	-81.8	0	0	0	111.1	A439 D441 N443 E450 N451 N482 L502	A439-Y445 HydrophobicContact CB-CD2 3.79Å; A439-Y445 HydrophobicContact CB-CE2 3.96Å; D441-Y445 PolarHBondContact OD2-OH 2.8Å; N443-Y445 HydrophobicContact CB-CD2 4.41Å; N443-Y445 HydrophobicContact CB-CE2 3.55Å; N443-Y445 PolarHBondContact ND2-OH 2.87Å; Y445-E450 WeakPolarHBondContact CA-O 3.3Å; Y445-N451 HydrophobicContact CD1-CB 4.18Å; Y445-N451 HydrophobicContact CE1-CB 3.79Å; Y445-N482 PolarHBondContact O-ND2 3.27Å; Y445-L502 HydrophobicContact CD1-CD1 4.35Å; Y445-L502 HydrophobicContact CD1-CD2 4.22Å; Y445-L502 HydrophobicContact CD1-CG 4.19Å; Y445-L502 HydrophobicContact CD2-CD1 4.24Å; Y445-L502 HydrophobicContact CD2-CG 4.22Å; Y445-L502 HydrophobicContact CE1-CD1 3.89Å; Y445-L502 HydrophobicContact CE1-CD2 4.31Å; Y445-L502 HydrophobicContact CE1-CG 4.22Å; Y445-L502 HydrophobicContact CE2-CD1 3.79Å; Y445-L502 HydrophobicContact CE2-CG 4.28Å; Y445-L502 HydrophobicContact CG-CG 4.19Å
446	N	94.6	Very high	96.1	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.221	C	C	.	.			trans	-77.9	172.1	163.2	69.5	17	0	0	0	110.5	F338 R448 G449 E450	F338-N446 HydrophobicContact CE1-CB 3.95Å; N446-R448 PolarHBondContact ND2-NH2 2.97Å; N446-R448 PolarHBondContact O-N 3.28Å; N446-R448 WeakPolarHBondContact OD1-CA 3.23Å; N446-R448 WeakPolarHBondContact OD1-CB 3.18Å; N446-R448 PolarHBondContact OD1-N 3.06Å; N446-G449 WeakPolarHBondContact O-CA 3.47Å; N446-G449 PolarHBondContact O-N 3.2Å; N446-G449 PolarHBondContact OD1-N 2.81Å; N446-E450 PolarHBondContact N-O 3.04Å; N446-E450 PolarHBondContact ND2-OE2 2.8Å; N446-E450 WeakPolarHBondContact OD1-CB 3.42Å; N446-E450 PolarHBondContact OD1-N 3.44Å
447	M	92.1	Very high	96.1	Very high	67 Å²	67	47 Å²	47	33%	0.33	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.7	-179.9	-68.9	-58.9	-77.4	0	0	114.3	G449 N482 V503	M447-G449 VanDerWaalsContact C-N 3.27Å; M447-N482 HydrophobicContact SD-CB 4.37Å; M447-N482 VanDerWaalsContact SD-CG 3.58Å; M447-N482 PolarHBondContact SD-OD1 3.14Å; M447-V503 HydrophobicContact SD-CG2 4.12Å
448	R	92.6	Very high	95.9	Very high	95 Å²	95	48.6 Å²	48.6	36%	0.358	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.1	169.1	-65.9	176.5	-73	-85	4.2	112.6	T340 N446 E450 K499 G585	T340-R448 PolarHBondContact O-NH2 2.73Å; N446-R448 PolarHBondContact ND2-NH2 2.97Å; N446-R448 PolarHBondContact O-N 3.28Å; N446-R448 WeakPolarHBondContact OD1-CA 3.23Å; N446-R448 WeakPolarHBondContact OD1-CB 3.18Å; N446-R448 PolarHBondContact OD1-N 3.06Å; R448-E450 VanDerWaalsContact C-N 3.31Å; R448-E450 HydrophobicContact CB-CG 4.04Å; R448-E450 IonicContact CZ-OE2 2.99Å; R448-E450 IonicContact NE-OE2 2.68Å; R448-E450 PolarHBondContact NE-OE2 3.24Å; R448-E450 VanDerWaalsContact NE-OE2 3.07Å; R448-E450 IonicContact NH2-OE2 3.69Å; R448-K499 PolarHBondContact O-NZ 2.87Å; R448-G585 PolarHBondContact NH1-O 2.96Å
449	G	94.3	Very high	95.9	Very high	19 Å²	19	46.2 Å²	46.2	20%	0.196	23%	0.233	C	C	.	.			trans	75.7	17.9	-176.7	0	0	0	0	0	113.5	N446 M447	N446-G449 WeakPolarHBondContact O-CA 3.47Å; N446-G449 PolarHBondContact O-N 3.2Å; N446-G449 PolarHBondContact OD1-N 2.81Å; M447-G449 VanDerWaalsContact C-N 3.27Å
450	E	95.4	Very high	95.8	Very high	72 Å²	72	46 Å²	46	34%	0.336	23%	0.231	S	C	.	.			trans	-83.5	133.1	177.2	-57.1	172.2	139	0	0	109.2	H342 Y445 N446 R448 I452	H342-E450 IonicContact CE1-OE1 3.91Å; Y445-E450 WeakPolarHBondContact CA-O 3.3Å; N446-E450 PolarHBondContact N-O 3.04Å; N446-E450 PolarHBondContact ND2-OE2 2.8Å; N446-E450 WeakPolarHBondContact OD1-CB 3.42Å; N446-E450 PolarHBondContact OD1-N 3.44Å; R448-E450 VanDerWaalsContact C-N 3.31Å; R448-E450 HydrophobicContact CB-CG 4.04Å; R448-E450 IonicContact CZ-OE2 2.99Å; R448-E450 IonicContact NE-OE2 2.68Å; R448-E450 PolarHBondContact NE-OE2 3.24Å; R448-E450 VanDerWaalsContact NE-OE2 3.07Å; R448-E450 IonicContact NH2-OE2 3.69Å; E450-I452 PolarHBondContact O-N 2.74Å
451	N	96.6	Very high	95.8	Very high	68 Å²	68	41.7 Å²	41.7	36%	0.364	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-75.9	118.7	178.6	-174.3	-29	0	0	0	110.5	N443 Y444 Y445 K453	N443-N451 WeakPolarHBondContact CB-ND2 3.35Å; N443-N451 PolarHBondContact OD1-ND2 3.43Å; N443-N451 VanDerWaalsContact OD1-ND2 3.13Å; Y444-N451 CarbonylContact O-C 3.36Å; Y444-N451 VanDerWaalsContact O-CA 3.32Å; Y444-N451 WeakPolarHBondContact O-CA 3.41Å; Y445-N451 HydrophobicContact CD1-CB 4.18Å; Y445-N451 HydrophobicContact CE1-CB 3.79Å; N451-K453 WeakPolarHBondContact OD1-CB 3.35Å; N451-K453 PolarHBondContact OD1-N 2.81Å
452	I	96.3	Very high	95.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.19	C	C	.	.			trans	-112	12.7	-177.9	60.9	169.3	0	0	0	113.2	F338 P339 Y444 E450 H454 L455 V456	F338-I452 HydrophobicContact CD1-CD1 4.17Å; F338-I452 HydrophobicContact CE1-CD1 3.52Å; F338-I452 HydrophobicContact CZ-CD1 4.17Å; P339-I452 WeakPolarHBondContact O-CD1 3.43Å; Y444-I452 WeakPolarHBondContact O-CG1 3.43Å; Y444-I452 PolarHBondContact O-N 2.79Å; E450-I452 PolarHBondContact O-N 2.74Å; I452-H454 PolarHBondContact O-N 2.8Å; I452-L455 WeakPolarHBondContact O-CB 3.29Å; I452-L455 PolarHBondContact O-N 2.93Å; I452-V456 HydrophobicContact CD1-CG2 4.12Å; I452-V456 HydrophobicContact CG1-CG2 4.2Å
453	K	95.8	Very high	95.9	Very high	100 Å²	100	36.6 Å²	36.6	44%	0.435	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-51.3	-33.2	-177.1	179.7	169.7	-173.8	158.3	0	114.1	G442 N443 Y444 N451 L455 V456	G442-K453 PolarHBondContact O-NZ 2.95Å; N443-K453 VanDerWaalsContact OD1-CD 3.23Å; N443-K453 WeakPolarHBondContact OD1-CD 3.26Å; Y444-K453 HydrophobicContact CD2-CB 3.93Å; Y444-K453 HydrophobicContact CD2-CG 3.94Å; Y444-K453 HydrophobicContact CE2-CG 4.35Å; N451-K453 WeakPolarHBondContact OD1-CB 3.35Å; N451-K453 PolarHBondContact OD1-N 2.81Å; K453-L455 PolarHBondContact O-N 3.32Å; K453-V456 PolarHBondContact O-N 2.78Å
454	H	94.7	Very high	95.9	Very high	135 Å²	135	38 Å²	38	63%	0.625	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-70	-7.3	179	64.2	-77.9	0	0	0	114.4	I452	I452-H454 PolarHBondContact O-N 2.8Å
455	L	95.3	Very high	95.8	Very high	23 Å²	23	38.5 Å²	38.5	12%	0.12	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-111.5	-3.4	-178.8	-59.5	176.5	0	0	0	113.6	P339 H342 P347 R377 I452 K453	P339-L455 HydrophobicContact CB-CB 3.86Å; P339-L455 HydrophobicContact CB-CD1 3.69Å; P339-L455 HydrophobicContact CB-CG 4.42Å; P339-L455 HydrophobicContact CG-CB 3.86Å; H342-L455 HydrophobicContact CB-CD1 3.76Å; P347-L455 HydrophobicContact CB-CD1 4.23Å; P347-L455 HydrophobicContact CG-CD1 4.35Å; R377-L455 PolarHBondContact NE-O 2.83Å; I452-L455 WeakPolarHBondContact O-CB 3.29Å; I452-L455 PolarHBondContact O-N 2.93Å; K453-L455 PolarHBondContact O-N 3.32Å
456	V	95.3	Very high	95.8	Very high	10 Å²	10	37.4 Å²	37.4	6%	0.061	19%	0.188	C	C	.	.			trans	-128	118.9	-163.6	178.3	0	0	0	0	108.9	P339 S436 Y444 I452 K453	P339-V456 HydrophobicContact CG-CG2 3.99Å; S436-V456 WeakPolarHBondContact OG-CG1 3.34Å; S436-V456 WeakPolarHBondContact OG-CG2 3.24Å; Y444-V456 HydrophobicContact CD1-CB 4.44Å; Y444-V456 HydrophobicContact CD1-CG1 3.67Å; Y444-V456 HydrophobicContact CD2-CB 4.42Å; Y444-V456 HydrophobicContact CD2-CG1 4.29Å; Y444-V456 HydrophobicContact CE1-CG1 3.69Å; Y444-V456 HydrophobicContact CE2-CG1 4.32Å; Y444-V456 HydrophobicContact CG-CB 4.26Å; Y444-V456 HydrophobicContact CG-CG1 3.97Å; I452-V456 HydrophobicContact CD1-CG2 4.12Å; I452-V456 HydrophobicContact CG1-CG2 4.2Å; K453-V456 PolarHBondContact O-N 2.78Å
457	D	95.9	Very high	95.7	Very high	40 Å²	40	42 Å²	42	21%	0.214	21%	0.21	C	C	.	.			trans	-75.4	151.6	172	-64.9	-16.3	0	0	0	110.2	D375 H376 R435 I459	D375-D457 VanDerWaalsContact CA-OD2 3.25Å; D375-D457 WeakPolarHBondContact CA-OD2 3.48Å; D375-D457 HydrophobicContact CB-CB 4.49Å; D375-D457 VanDerWaalsContact OD1-CB 3.22Å; D375-D457 WeakPolarHBondContact OD1-CB 3.36Å; D375-D457 PolarHBondContact OD1-N 2.91Å; H376-D457 WeakPolarHBondContact CB-OD2 3.41Å; H376-D457 PolarHBondContact N-OD2 2.77Å; R435-D457 PolarHBondContact NH2-O 3.23Å; D457-I459 HydrophobicContact CB-CG1 4.39Å; D457-I459 PolarHBondContact O-N 3.38Å
458	P	95	Very high	95.8	Very high	36 Å²	36	44.5 Å²	44.5	23%	0.234	22%	0.224	C	C	.	.			trans	-77.3	50.3	-172.8	34.7	-38.7	0	0	0	113.3	D406 D460 D461	D406-P458 HydrophobicContact CB-CG 4.05Å; P458-D460 PolarHBondContact O-N 2.82Å; P458-D460 VanDerWaalsContact O-N 3.14Å; P458-D461 WeakPolarHBondContact CB-OD2 3.32Å; P458-D461 WeakPolarHBondContact O-CB 3.36Å; P458-D461 PolarHBondContact O-N 3.1Å
459	I	96.5	Very high	96	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.1	179.2	-64.6	176.3	0	0	0	111.9	V335 F404 D457 D461 L462	V335-I459 HydrophobicContact CG1-CG2 4.37Å; V335-I459 HydrophobicContact CG2-CD1 3.85Å; V335-I459 HydrophobicContact CG2-CG2 4.18Å; F404-I459 HydrophobicContact CB-CG1 4.46Å; D457-I459 HydrophobicContact CB-CG1 4.39Å; D457-I459 PolarHBondContact O-N 3.38Å; I459-D461 PolarHBondContact O-N 2.77Å; I459-D461 VanDerWaalsContact O-N 3.14Å; I459-L462 HydrophobicContact CG2-CD1 4.21Å; I459-L462 VanDerWaalsContact O-CB 3.27Å; I459-L462 WeakPolarHBondContact O-CB 3.41Å; I459-L462 PolarHBondContact O-N 3.38Å
460	D	96.6	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.8	-25.3	174	-41.2	-111.4	0	0	0	113	G437 R438 Y444 P458 L462 F463 L464 L484 V507	G437-D460 WeakPolarHBondContact CA-OD1 3.44Å; R438-D460 HydrophobicContact CB-CB 4.49Å; R438-D460 PolarHBondContact N-OD1 3.39Å; Y444-D460 WeakPolarHBondContact CE1-OD2 3.43Å; Y444-D460 VanDerWaalsContact CZ-OD2 3.32Å; Y444-D460 PolarHBondContact OH-OD2 3.5Å; P458-D460 PolarHBondContact O-N 2.82Å; P458-D460 VanDerWaalsContact O-N 3.14Å; D460-L462 PolarHBondContact O-N 3.05Å; D460-F463 WeakPolarHBondContact O-CA 3.39Å; D460-F463 WeakPolarHBondContact O-CB 2.97Å; D460-F463 PolarHBondContact O-N 3.23Å; D460-L464 PolarHBondContact O-N 2.86Å; D460-L484 HydrophobicContact CB-CD1 3.87Å; D460-L484 HydrophobicContact CB-CD2 4.34Å; D460-L484 VanDerWaalsContact OD1-CD1 3.28Å; D460-L484 WeakPolarHBondContact OD1-CD1 3.47Å; D460-V507 HydrophobicContact CB-CB 4.49Å; D460-V507 HydrophobicContact CB-CG1 4.46Å; D460-V507 HydrophobicContact CB-CG2 3.99Å
461	D	97.4	Very high	95.7	Very high	36 Å²	36	40 Å²	40	19%	0.193	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-26.1	176.1	-65.9	-27.7	0	0	0	111.7	F404 A412 R438 P458 I459 A465	F404-D461 HydrophobicContact CE1-CB 4.43Å; A412-D461 HydrophobicContact CB-CB 4.49Å; R438-D461 IonicContact CZ-OD1 3.78Å; R438-D461 VanDerWaalsContact CZ-OD1 3.24Å; R438-D461 IonicContact NH1-OD1 4Å; R438-D461 PolarHBondContact NH1-OD1 3.46Å; R438-D461 VanDerWaalsContact NH2-CG 3.3Å; R438-D461 IonicContact NH2-OD1 3.07Å; R438-D461 PolarHBondContact NH2-OD1 3.14Å; R438-D461 IonicContact NH2-OD2 3.87Å; R438-D461 PolarHBondContact NH2-OD2 3.03Å; P458-D461 WeakPolarHBondContact CB-OD2 3.32Å; P458-D461 WeakPolarHBondContact O-CB 3.36Å; P458-D461 PolarHBondContact O-N 3.1Å; I459-D461 PolarHBondContact O-N 2.77Å; I459-D461 VanDerWaalsContact O-N 3.14Å; D461-A465 VanDerWaalsContact O-CB 3.3Å; D461-A465 WeakPolarHBondContact O-CB 3.49Å; D461-A465 PolarHBondContact O-N 3.14Å
462	L	98.3	Very high	95.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.2	-39.2	169.8	-58.4	-173.1	0	0	0	111.5	L373 F404 A412 F415 L416 L430 I459 D460 A465 A466	L373-L462 HydrophobicContact CD1-CD1 3.91Å; F404-L462 HydrophobicContact CB-CD1 4.16Å; F404-L462 HydrophobicContact CD1-CD2 4.25Å; F404-L462 HydrophobicContact CD1-CG 4.19Å; F404-L462 HydrophobicContact CD2-CD1 4.47Å; F404-L462 HydrophobicContact CD2-CD2 3.65Å; F404-L462 HydrophobicContact CD2-CG 4.31Å; F404-L462 HydrophobicContact CE1-CD2 4.23Å; F404-L462 HydrophobicContact CE1-CG 4.44Å; F404-L462 HydrophobicContact CE2-CD2 3.65Å; F404-L462 HydrophobicContact CG-CD1 4.15Å; F404-L462 HydrophobicContact CG-CD2 3.96Å; F404-L462 HydrophobicContact CG-CG 4.12Å; F404-L462 HydrophobicContact CZ-CD2 3.94Å; A412-L462 HydrophobicContact CB-CD2 3.79Å; F415-L462 HydrophobicContact CB-CD2 3.99Å; F415-L462 HydrophobicContact CD1-CD1 3.72Å; F415-L462 HydrophobicContact CD1-CD2 3.73Å; F415-L462 HydrophobicContact CD1-CG 4.4Å; F415-L462 HydrophobicContact CE1-CD1 3.74Å; F415-L462 HydrophobicContact CG-CD2 4.01Å; L416-L462 HydrophobicContact CD1-CB 4.41Å; L416-L462 VanDerWaalsContact CD1-O 3.29Å; L416-L462 WeakPolarHBondContact CD1-O 3.42Å; L416-L462 HydrophobicContact CD2-CB 4.46Å; L416-L462 HydrophobicContact CG-CD2 4.25Å; L430-L462 HydrophobicContact CD1-CB 4.16Å; I459-L462 HydrophobicContact CG2-CD1 4.21Å; I459-L462 VanDerWaalsContact O-CB 3.27Å; I459-L462 WeakPolarHBondContact O-CB 3.41Å; I459-L462 PolarHBondContact O-N 3.38Å; D460-L462 PolarHBondContact O-N 3.05Å; L462-A465 PolarHBondContact O-N 3.15Å; L462-A466 VanDerWaalsContact O-CB 3.27Å; L462-A466 WeakPolarHBondContact O-CB 3.33Å; L462-A466 PolarHBondContact O-N 3.21Å
463	F	98.3	Very high	95.8	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-70.4	-40.2	179.6	-79.4	-116.3	0	0	0	110.9	V335 L430 A432 D460 A466 Q467 T474 L484 V507 A509	V335-F463 HydrophobicContact CG1-CE2 4.26Å; V335-F463 HydrophobicContact CG1-CZ 4.44Å; L430-F463 HydrophobicContact CB-CE1 4.36Å; L430-F463 HydrophobicContact CB-CE2 4.02Å; L430-F463 HydrophobicContact CB-CZ 3.86Å; L430-F463 HydrophobicContact CD1-CD2 4.28Å; L430-F463 HydrophobicContact CD1-CE2 4.38Å; A432-F463 HydrophobicContact CB-CE1 3.93Å; A432-F463 HydrophobicContact CB-CE2 4.28Å; A432-F463 HydrophobicContact CB-CZ 3.5Å; D460-F463 WeakPolarHBondContact O-CA 3.39Å; D460-F463 WeakPolarHBondContact O-CB 2.97Å; D460-F463 PolarHBondContact O-N 3.23Å; F463-A466 PolarHBondContact O-N 3.11Å; F463-Q467 PolarHBondContact O-N 3.43Å; F463-T474 HydrophobicContact CD1-CG2 3.83Å; F463-T474 HydrophobicContact CE1-CG2 4.3Å; F463-T474 HydrophobicContact CG-CG2 4.29Å; F463-L484 HydrophobicContact CB-CD1 4.01Å; F463-L484 HydrophobicContact CD1-CD1 4.01Å; F463-L484 HydrophobicContact CD1-CG 4.12Å; F463-L484 HydrophobicContact CD2-CD1 4.19Å; F463-L484 HydrophobicContact CD2-CD2 3.63Å; F463-L484 HydrophobicContact CD2-CG 4.09Å; F463-L484 HydrophobicContact CE1-CG 4.2Å; F463-L484 HydrophobicContact CE2-CD2 3.65Å; F463-L484 HydrophobicContact CE2-CG 4.18Å; F463-L484 HydrophobicContact CG-CD1 3.81Å; F463-L484 HydrophobicContact CG-CD2 4.12Å; F463-L484 HydrophobicContact CG-CG 4.07Å; F463-L484 HydrophobicContact CZ-CD2 4.15Å; F463-L484 HydrophobicContact CZ-CG 4.25Å; F463-V507 HydrophobicContact CB-CG1 3.91Å; F463-A509 HydrophobicContact CD1-CB 4.49Å
464	L	97.2	Very high	96	Very high	65 Å²	65	32.8 Å²	32.8	34%	0.34	18%	0.182	S	C	.	.	H	α-helix	trans	-63.4	-43	173.4	-67.1	172.5	0	0	0	112	D460 N468 V507	D460-L464 PolarHBondContact O-N 2.86Å; L464-N468 PolarHBondContact O-ND2 3.4Å; L464-V507 HydrophobicContact CD1-CG2 4.35Å; L464-V507 HydrophobicContact CD2-CG1 3.97Å; L464-V507 HydrophobicContact CD2-CG2 4.21Å; L464-V507 HydrophobicContact CG-CG1 4.07Å; L464-V507 HydrophobicContact CG-CG2 4.28Å
465	A	97	Very high	96.2	Very high	15 Å²	15	26.3 Å²	26.3	12%	0.124	15%	0.152	C	C	.	.	H	α-helix	trans	-65.5	-40.8	176.4	0	0	0	0	0	112	A412 L416 D461 L462 Q467 N468	A412-A465 HydrophobicContact CB-CB 3.64Å; L416-A465 HydrophobicContact CD1-CB 3.85Å; D461-A465 VanDerWaalsContact O-CB 3.3Å; D461-A465 WeakPolarHBondContact O-CB 3.49Å; D461-A465 PolarHBondContact O-N 3.14Å; L462-A465 PolarHBondContact O-N 3.15Å; A465-Q467 VanDerWaalsContact C-N 3.25Å; A465-Q467 PolarHBondContact O-N 3.13Å; A465-N468 PolarHBondContact O-N 2.84Å
466	A	97	Very high	96.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-57.7	-34.1	-179.9	0	0	0	0	0	113.5	L416 L430 L462 F463 N468 I469 V472 T474	L416-A466 HydrophobicContact CD1-CB 4.2Å; L430-A466 HydrophobicContact CD1-CB 3.86Å; L462-A466 VanDerWaalsContact O-CB 3.27Å; L462-A466 WeakPolarHBondContact O-CB 3.33Å; L462-A466 PolarHBondContact O-N 3.21Å; F463-A466 PolarHBondContact O-N 3.11Å; A466-N468 PolarHBondContact O-N 3.17Å; A466-I469 PolarHBondContact O-N 3.43Å; A466-V472 HydrophobicContact CB-CB 4.44Å; A466-V472 HydrophobicContact CB-CG1 3.82Å; A466-T474 HydrophobicContact CB-CG2 3.66Å
467	Q	93.3	Very high	96.5	Very high	96 Å²	96	24.8 Å²	24.8	45%	0.449	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.6	176.1	-67.1	175.7	4.1	0	0	113.4	F463 A465 A508	F463-Q467 PolarHBondContact O-N 3.43Å; A465-Q467 VanDerWaalsContact C-N 3.25Å; A465-Q467 PolarHBondContact O-N 3.13Å; Q467-A508 PolarHBondContact NE2-O 3.06Å
468	N	93.4	Very high	96.6	Very high	120 Å²	120	22.9 Å²	22.9	64%	0.642	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	3	-179.9	-61.4	-64.8	0	0	0	113.5	L464 A465 A466	L464-N468 PolarHBondContact O-ND2 3.4Å; A465-N468 PolarHBondContact O-N 2.84Å; A466-N468 PolarHBondContact O-N 3.17Å
469	I	96.2	Very high	96.6	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	-109.9	108	-178.5	-54.1	167.7	0	0	0	108.4	M413 L416 P422 P425 A466 G471 V472	M413-I469 HydrophobicContact CE-CD1 4.03Å; M413-I469 HydrophobicContact CE-CG1 3.8Å; M413-I469 HydrophobicContact SD-CD1 3.74Å; M413-I469 HydrophobicContact SD-CG1 3.85Å; L416-I469 HydrophobicContact CB-CD1 3.7Å; L416-I469 HydrophobicContact CD1-CD1 3.72Å; L416-I469 HydrophobicContact CG-CD1 4.38Å; P422-I469 HydrophobicContact CB-CG1 4.48Å; P422-I469 HydrophobicContact CB-CG2 4.3Å; P422-I469 WeakPolarHBondContact O-CG2 3.46Å; P425-I469 HydrophobicContact CB-CG2 4.2Å; A466-I469 PolarHBondContact O-N 3.43Å; I469-G471 PolarHBondContact O-N 2.87Å; I469-V472 HydrophobicContact CB-CB 4.22Å; I469-V472 HydrophobicContact CB-CG2 3.8Å; I469-V472 HydrophobicContact CG2-CB 4.38Å; I469-V472 HydrophobicContact CG2-CG2 3.45Å; I469-V472 VanDerWaalsContact CG2-CG2 3.45Å; I469-V472 PolarHBondContact O-N 3.25Å; I469-V472 VanDerWaalsContact O-N 3.16Å
470	P	92.8	Very high	96.4	Very high	59 Å²	59	21.3 Å²	21.3	38%	0.383	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	131.2	179.7	-25.7	34	0	0	0	112.1	V472	P470-V472 VanDerWaalsContact C-N 3.31Å; P470-V472 PolarHBondContact O-N 3.31Å
471	G	91.7	Very high	96.3	Very high	30 Å²	30	21.3 Å²	21.3	31%	0.309	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	-4.6	177.3	0	0	0	0	0	115.5	N279 I469	N279-G471 PolarHBondContact O-N 3.06Å; I469-G471 PolarHBondContact O-N 2.87Å
472	V	97.2	Very high	96.3	Very high	9 Å²	9	19.8 Å²	19.8	6%	0.055	12%	0.116	C	C	.	.			trans	-90.2	115.9	171.6	-174.4	0	0	0	0	109.4	P425 F427 D428 L430 A466 I469 P470	P425-V472 HydrophobicContact CB-CG2 3.6Å; P425-V472 HydrophobicContact CG-CG2 4.26Å; F427-V472 WeakPolarHBondContact O-CG2 3.36Å; D428-V472 WeakPolarHBondContact O-CA 3.39Å; L430-V472 HydrophobicContact CG-CG1 4.37Å; A466-V472 HydrophobicContact CB-CB 4.44Å; A466-V472 HydrophobicContact CB-CG1 3.82Å; I469-V472 HydrophobicContact CB-CB 4.22Å; I469-V472 HydrophobicContact CB-CG2 3.8Å; I469-V472 HydrophobicContact CG2-CB 4.38Å; I469-V472 HydrophobicContact CG2-CG2 3.45Å; I469-V472 VanDerWaalsContact CG2-CG2 3.45Å; I469-V472 PolarHBondContact O-N 3.25Å; I469-V472 VanDerWaalsContact O-N 3.16Å; P470-V472 VanDerWaalsContact C-N 3.31Å; P470-V472 PolarHBondContact O-N 3.31Å
473	M	97.9	Very high	96.4	Very high	7 Å²	7	19.9 Å²	19.9	3%	0.034	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	153.9	176.9	-71.9	-66.8	-68.5	0	0	111.7	V276 T277 A325 D428 H429 L430 D510	V276-M473 WeakPolarHBondContact O-CE 3.26Å; T277-M473 VanDerWaalsContact CB-SD 3.56Å; T277-M473 HydrophobicContact CG2-SD 4.44Å; A325-M473 HydrophobicContact CB-CE 3.88Å; A325-M473 HydrophobicContact CB-CG 4.21Å; D428-M473 PolarHBondContact O-N 3.09Å; H429-M473 CarbonylContact C-O 3.59Å; H429-M473 VanDerWaalsContact CA-O 3.28Å; H429-M473 WeakPolarHBondContact CA-O 3.49Å; H429-M473 HydrophobicContact CB-CB 4.39Å; H429-M473 VanDerWaalsContact CD2-C 3.48Å; H429-M473 PolarHBondContact CD2-O 3.43Å; L430-M473 PolarHBondContact N-O 2.93Å; M473-D510 HydrophobicContact CE-CB 3.6Å; M473-D510 HydrophobicContact SD-CB 4.26Å
474	T	98.7	Very high	96.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.3	172.9	56.9	0	0	0	0	111.2	L430 F463 A466 A509 D510 C511	L430-T474 HydrophobicContact CB-CG2 4.32Å; L430-T474 HydrophobicContact CD1-CG2 4.37Å; L430-T474 CarbonylContact O-C 3.56Å; L430-T474 WeakPolarHBondContact O-CA 3.38Å; F463-T474 HydrophobicContact CD1-CG2 3.83Å; F463-T474 HydrophobicContact CE1-CG2 4.3Å; F463-T474 HydrophobicContact CG-CG2 4.29Å; A466-T474 HydrophobicContact CB-CG2 3.66Å; T474-A509 VanDerWaalsContact OG1-CA 3.3Å; T474-A509 WeakPolarHBondContact OG1-CA 3.47Å; T474-D510 PolarHBondContact N-OD2 2.89Å; T474-D510 WeakPolarHBondContact O-CB 3.39Å; T474-D510 PolarHBondContact O-N 2.94Å; T474-D510 PolarHBondContact OG1-N 2.76Å; T474-D510 PolarHBondContact OG1-OD2 2.67Å; T474-C511 PolarHBondContact O-N 3.28Å
475	T	98.8	Very high	96.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.4	170.6	-65.5	0	0	0	0	109.5	C322 H429 L430 V431 A432 I477 C511 V513	C322-T475 HydrophobicContact CB-CG2 4.28Å; H429-T475 PolarHBondContact CE1-OG1 3.21Å; H429-T475 PolarHBondContact NE2-OG1 3.19Å; L430-T475 PolarHBondContact O-N 2.93Å; V431-T475 CarbonylContact C-O 3.56Å; V431-T475 WeakPolarHBondContact CA-O 3.39Å; V431-T475 HydrophobicContact CG1-CG2 4.46Å; A432-T475 PolarHBondContact N-O 3.03Å; T475-I477 HydrophobicContact CG2-CG1 3.92Å; T475-C511 CarbonylContact C-O 3.59Å; T475-C511 VanDerWaalsContact CA-O 3.31Å; T475-C511 WeakPolarHBondContact CA-O 3.3Å; T475-C511 HydrophobicContact CG2-CB 4.17Å; T475-V513 HydrophobicContact CG2-CG2 4.29Å
476	G	98.8	Very high	96.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.3	161.4	0	0	0	0	0	111	A432 L484 M486 C511 A512 V513	A432-G476 CarbonylContact O-C 3.54Å; G476-L484 VanDerWaalsContact CA-O 3.26Å; G476-L484 WeakPolarHBondContact CA-O 3.36Å; G476-M486 VanDerWaalsContact O-CE 3.24Å; G476-M486 WeakPolarHBondContact O-CE 3.23Å; G476-C511 PolarHBondContact N-O 2.73Å; G476-A512 CarbonylContact O-C 3.53Å; G476-A512 WeakPolarHBondContact O-CA 3.2Å; G476-V513 PolarHBondContact O-N 3.42Å
477	I	98.9	Very high	96.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.5	172.6	-54.6	-176	0	0	0	107.2	M359 V431 A432 I433 E434 T475 V513 A521 V525	M359-I477 HydrophobicContact CE-CD1 4.11Å; M359-I477 HydrophobicContact SD-CD1 3.98Å; V431-I477 HydrophobicContact CG1-CD1 4.24Å; A432-I477 PolarHBondContact O-N 2.87Å; I433-I477 HydrophobicContact CB-CB 4.02Å; I433-I477 HydrophobicContact CB-CD1 4.32Å; I433-I477 HydrophobicContact CD1-CD1 4.27Å; I433-I477 HydrophobicContact CD1-CG2 4.27Å; I433-I477 HydrophobicContact CG1-CB 3.94Å; I433-I477 HydrophobicContact CG1-CD1 4.39Å; I433-I477 HydrophobicContact CG1-CG2 3.89Å; E434-I477 PolarHBondContact N-O 3.47Å; E434-I477 VanDerWaalsContact N-O 3.1Å; T475-I477 HydrophobicContact CG2-CG1 3.92Å; I477-V513 WeakPolarHBondContact CA-O 3.48Å; I477-V513 HydrophobicContact CG1-CB 4.18Å; I477-A521 HydrophobicContact CG2-CB 3.3Å; I477-V525 HydrophobicContact CD1-CG2 4.27Å
478	G	97.4	Very high	96.8	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	164.8	-174.7	0	0	0	0	0	113.2	V513 T514 A515 S518	G478-V513 PolarHBondContact N-O 3.47Å; G478-T514 WeakPolarHBondContact O-CA 3.2Å; G478-A515 PolarHBondContact O-N 2.93Å; G478-S518 VanDerWaalsContact CA-OG 3.29Å; G478-S518 WeakPolarHBondContact CA-OG 3.49Å
479	D	95	Very high	97	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.011	7%	0.066	C	C	.	.	S	Bend	trans	-129.6	-3.2	-178.2	83	-0.7	0	0	0	114.7	R308 I310 E483 A515	R308-D479 IonicContact CZ-OD1 2.73Å; R308-D479 IonicContact CZ-OD2 3.9Å; R308-D479 IonicContact NE-OD2 3.45Å; R308-D479 IonicContact NH1-OD1 2.64Å; R308-D479 PolarHBondContact NH1-OD1 2.92Å; R308-D479 IonicContact NH1-OD2 3.53Å; R308-D479 PolarHBondContact NH1-OD2 3.27Å; I310-D479 WeakPolarHBondContact CD1-O 3.23Å; D479-E483 PolarHBondContact N-OE1 3.41Å; D479-A515 WeakPolarHBondContact CA-O 3.46Å; D479-A515 WeakPolarHBondContact CB-O 3.41Å
480	G	92.4	Very high	97.1	Very high	2 Å²	2	11.3 Å²	11.3	2%	0.021	7%	0.07	C	C	.	.	S	Bend	trans	-123.4	-20.3	178.6	0	0	0	0	0	115	E483	G480-E483 WeakPolarHBondContact CA-OE1 3.34Å; G480-E483 PolarHBondContact N-OE1 2.94Å
481	G	95.8	Very high	97.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	90.7	-2.4	-178.9	0	0	0	0	0	114.7	E483 M486 C505	G481-E483 WeakPolarHBondContact CA-OE2 3.38Å; G481-E483 PolarHBondContact N-OE2 3.22Å; G481-M486 WeakPolarHBondContact O-CB 3.37Å; G481-C505 PolarHBondContact O-N 2.82Å; G481-C505 VanDerWaalsContact O-N 3.11Å
482	N	97.4	Very high	97.5	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.016	8%	0.076	C	C	.	.			trans	-98.7	9.1	174.5	62.5	-43.8	0	0	0	112.4	F338 G437 Y445 M447 V503	F338-N482 WeakPolarHBondContact CZ-ND2 3.35Å; G437-N482 WeakPolarHBondContact CA-O 3.39Å; G437-N482 PolarHBondContact N-O 3.48Å; Y445-N482 PolarHBondContact O-ND2 3.27Å; M447-N482 HydrophobicContact SD-CB 4.37Å; M447-N482 VanDerWaalsContact SD-CG 3.58Å; M447-N482 PolarHBondContact SD-OD1 3.14Å; N482-V503 WeakPolarHBondContact CA-O 3.21Å; N482-V503 HydrophobicContact CB-CB 4.03Å; N482-V503 HydrophobicContact CB-CG2 4.27Å; N482-V503 WeakPolarHBondContact CB-O 3.49Å
483	E	98.3	Very high	97.6	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.009	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-89.6	151.3	176.8	-49.6	77.7	-171.7	0	0	111.7	F338 R435 D479 G480 G481 G485 M486 C505	F338-E483 HydrophobicContact CD2-CG 4.43Å; F338-E483 HydrophobicContact CE2-CG 4.31Å; R435-E483 CarbonylContact O-C 3.54Å; R435-E483 WeakPolarHBondContact O-CA 3.39Å; R435-E483 WeakPolarHBondContact O-CB 3.42Å; D479-E483 PolarHBondContact N-OE1 3.41Å; G480-E483 WeakPolarHBondContact CA-OE1 3.34Å; G480-E483 PolarHBondContact N-OE1 2.94Å; G481-E483 WeakPolarHBondContact CA-OE2 3.38Å; G481-E483 PolarHBondContact N-OE2 3.22Å; E483-G485 PolarHBondContact O-N 3.47Å; E483-M486 HydrophobicContact CB-CG 4.12Å; E483-M486 VanDerWaalsContact O-CB 3.23Å; E483-M486 WeakPolarHBondContact O-CB 3.26Å; E483-M486 WeakPolarHBondContact O-CG 3.39Å; E483-M486 PolarHBondContact O-N 3.47Å; E483-M486 WeakPolarHBondContact OE2-CG 3.48Å; E483-C505 VanDerWaalsContact O-CB 3.25Å; E483-C505 WeakPolarHBondContact O-CB 3.18Å; E483-C505 PolarHBondContact O-SG 2.66Å
484	L	98.7	Very high	97.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	125.4	178.7	174	47.7	0	0	0	110.7	A432 R435 D460 F463 G476 V507	A432-L484 HydrophobicContact CB-CB 3.91Å; A432-L484 HydrophobicContact CB-CD2 4.07Å; A432-L484 HydrophobicContact CB-CG 3.82Å; R435-L484 HydrophobicContact CB-CB 4.32Å; R435-L484 HydrophobicContact CG-CB 4.02Å; R435-L484 HydrophobicContact CG-CD2 3.98Å; R435-L484 PolarHBondContact O-N 3.01Å; D460-L484 HydrophobicContact CB-CD1 3.87Å; D460-L484 HydrophobicContact CB-CD2 4.34Å; D460-L484 VanDerWaalsContact OD1-CD1 3.28Å; D460-L484 WeakPolarHBondContact OD1-CD1 3.47Å; F463-L484 HydrophobicContact CB-CD1 4.01Å; F463-L484 HydrophobicContact CD1-CD1 4.01Å; F463-L484 HydrophobicContact CD1-CG 4.12Å; F463-L484 HydrophobicContact CD2-CD1 4.19Å; F463-L484 HydrophobicContact CD2-CD2 3.63Å; F463-L484 HydrophobicContact CD2-CG 4.09Å; F463-L484 HydrophobicContact CE1-CG 4.2Å; F463-L484 HydrophobicContact CE2-CD2 3.65Å; F463-L484 HydrophobicContact CE2-CG 4.18Å; F463-L484 HydrophobicContact CG-CD1 3.81Å; F463-L484 HydrophobicContact CG-CD2 4.12Å; F463-L484 HydrophobicContact CG-CG 4.07Å; F463-L484 HydrophobicContact CZ-CD2 4.15Å; F463-L484 HydrophobicContact CZ-CG 4.25Å; G476-L484 VanDerWaalsContact CA-O 3.26Å; G476-L484 WeakPolarHBondContact CA-O 3.36Å; L484-V507 HydrophobicContact CD1-CB 3.86Å; L484-V507 HydrophobicContact CD1-CG1 3.61Å
485	G	98.3	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	98.3	-18.7	-176.8	0	0	0	0	0	113.7	E483 G487 K488 V507 A509	E483-G485 PolarHBondContact O-N 3.47Å; G485-G487 PolarHBondContact O-N 3.23Å; G485-G487 VanDerWaalsContact O-N 3.14Å; G485-K488 PolarHBondContact O-N 3.03Å; G485-V507 CarbonylContact C-O 3.6Å; G485-V507 WeakPolarHBondContact CA-O 3.36Å; G485-V507 PolarHBondContact N-O 2.81Å; G485-V507 VanDerWaalsContact N-O 3.11Å; G485-A509 PolarHBondContact O-N 2.89Å
486	M	98.4	Very high	97.2	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-69.9	-4.1	176.1	-63.7	-59.6	112.1	0	0	113.6	G476 G481 E483 K488 V489 K490 C505 A512 T514	G476-M486 VanDerWaalsContact O-CE 3.24Å; G476-M486 WeakPolarHBondContact O-CE 3.23Å; G481-M486 WeakPolarHBondContact O-CB 3.37Å; E483-M486 HydrophobicContact CB-CG 4.12Å; E483-M486 VanDerWaalsContact O-CB 3.23Å; E483-M486 WeakPolarHBondContact O-CB 3.26Å; E483-M486 WeakPolarHBondContact O-CG 3.39Å; E483-M486 PolarHBondContact O-N 3.47Å; E483-M486 WeakPolarHBondContact OE2-CG 3.48Å; M486-K488 PolarHBondContact O-N 3.23Å; M486-V489 HydrophobicContact CB-CG2 4.23Å; M486-V489 CarbonylContact O-C 3.55Å; M486-V489 VanDerWaalsContact O-CG2 3.24Å; M486-V489 WeakPolarHBondContact O-CG2 3.46Å; M486-V489 PolarHBondContact O-N 3.07Å; M486-V489 HydrophobicContact SD-CG2 4.15Å; M486-K490 PolarHBondContact O-N 3.46Å; M486-C505 HydrophobicContact CB-CB 4.23Å; M486-A512 HydrophobicContact CE-CB 3.71Å; M486-A512 HydrophobicContact SD-CB 4.26Å; M486-T514 HydrophobicContact SD-CG2 4.17Å
487	G	98.2	Very high	97	Very high	13 Å²	13	29.8 Å²	29.8	13%	0.134	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-54.4	-23.2	168.3	0	0	0	0	0	113.5	G485 V489 K490 C505 V507	G485-G487 PolarHBondContact O-N 3.23Å; G485-G487 VanDerWaalsContact O-N 3.14Å; G487-V489 VanDerWaalsContact C-N 3.25Å; G487-V489 PolarHBondContact O-N 3.33Å; G487-K490 WeakPolarHBondContact O-CB 3.45Å; G487-K490 PolarHBondContact O-N 2.7Å; G487-C505 VanDerWaalsContact CA-O 3.24Å; G487-C505 WeakPolarHBondContact CA-O 3.17Å; G487-V507 WeakPolarHBondContact CA-O 3.32Å; G487-V507 PolarHBondContact N-O 3.2Å; G487-V507 VanDerWaalsContact N-O 3.1Å
488	K	97.9	Very high	96.6	Very high	74 Å²	74	33.8 Å²	33.8	32%	0.322	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-62.9	-28.6	172.7	-173.8	171.9	178.6	-176.4	0	113.6	E318 G485 M486 A508 A509 D510 A512	E318-K488 WeakPolarHBondContact OE1-CE 3.45Å; E318-K488 IonicContact OE1-NZ 2.65Å; E318-K488 PolarHBondContact OE1-NZ 3.01Å; E318-K488 IonicContact OE2-NZ 3.41Å; E318-K488 PolarHBondContact OE2-NZ 3.12Å; G485-K488 PolarHBondContact O-N 3.03Å; M486-K488 PolarHBondContact O-N 3.23Å; K488-A508 HydrophobicContact CB-CB 4.26Å; K488-A509 WeakPolarHBondContact CD-O 3.4Å; K488-D510 PolarHBondContact NZ-O 2.84Å; K488-A512 HydrophobicContact CB-CB 3.89Å; K488-A512 HydrophobicContact CD-CB 3.94Å; K488-A512 HydrophobicContact CG-CB 4.32Å
489	V	97.8	Very high	96.5	Very high	8 Å²	8	39.6 Å²	39.6	5%	0.048	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-110.5	14.7	176.7	-65	0	0	0	0	112.5	V315 M486 G487 E491 K492 V493	V315-V489 HydrophobicContact CG2-CG1 3.94Å; M486-V489 HydrophobicContact CB-CG2 4.23Å; M486-V489 CarbonylContact O-C 3.55Å; M486-V489 VanDerWaalsContact O-CG2 3.24Å; M486-V489 WeakPolarHBondContact O-CG2 3.46Å; M486-V489 PolarHBondContact O-N 3.07Å; M486-V489 HydrophobicContact SD-CG2 4.15Å; G487-V489 VanDerWaalsContact C-N 3.25Å; G487-V489 PolarHBondContact O-N 3.33Å; V489-E491 VanDerWaalsContact C-N 3.32Å; V489-E491 PolarHBondContact O-N 2.97Å; V489-E491 VanDerWaalsContact O-N 3.15Å; V489-K492 WeakPolarHBondContact O-CA 3.46Å; V489-K492 WeakPolarHBondContact O-CB 3.32Å; V489-K492 PolarHBondContact O-N 3.4Å; V489-V493 HydrophobicContact CG2-CG2 4.04Å; V489-V493 WeakPolarHBondContact O-CG2 3.21Å; V489-V493 PolarHBondContact O-N 3.48Å
490	K	97.9	Very high	96.5	Very high	27 Å²	27	39.6 Å²	39.6	12%	0.117	20%	0.195	C	C	.	.	H	α-helix	trans	-46.1	-49.1	-174.9	-177.8	-178.6	-179.4	-173	0	113.8	M486 G487 K492 V493 K494 A504 D506	M486-K490 PolarHBondContact O-N 3.46Å; G487-K490 WeakPolarHBondContact O-CB 3.45Å; G487-K490 PolarHBondContact O-N 2.7Å; K490-K492 VanDerWaalsContact C-N 3.3Å; K490-K492 PolarHBondContact O-N 3.39Å; K490-V493 WeakPolarHBondContact O-CB 3.33Å; K490-V493 PolarHBondContact O-N 3.02Å; K490-V493 VanDerWaalsContact O-N 3.09Å; K490-K494 HydrophobicContact CG-CD 4.24Å; K490-K494 HydrophobicContact CG-CG 4.47Å; K490-K494 WeakPolarHBondContact O-CG 3.42Å; K490-K494 PolarHBondContact O-N 3.02Å; K490-A504 HydrophobicContact CG-CB 4.04Å; K490-D506 IonicContact NZ-OD1 2.68Å; K490-D506 PolarHBondContact NZ-OD1 3.47Å
491	E	97.8	Very high	96.8	Very high	108 Å²	108	45.5 Å²	45.5	51%	0.505	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-36	-177.4	-65.7	-53.9	129	0	0	112.5	V489 Q495	V489-E491 VanDerWaalsContact C-N 3.32Å; V489-E491 PolarHBondContact O-N 2.97Å; V489-E491 VanDerWaalsContact O-N 3.15Å; E491-Q495 WeakPolarHBondContact O-CB 3.23Å; E491-Q495 WeakPolarHBondContact O-CG 3.39Å; E491-Q495 PolarHBondContact O-N 3.34Å
492	K	97.1	Very high	96.8	Very high	72 Å²	72	48.9 Å²	48.9	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-67.9	-40.8	172.7	-67.9	178.6	166.2	-164.7	0	111.1	A312 L313 F314 V489 K490 Q495 L496	A312-K492 WeakPolarHBondContact O-CD 3.16Å; A312-K492 PolarHBondContact O-NZ 2.65Å; L313-K492 HydrophobicContact CD2-CB 3.72Å; F314-K492 PolarHBondContact O-NZ 2.73Å; V489-K492 WeakPolarHBondContact O-CA 3.46Å; V489-K492 WeakPolarHBondContact O-CB 3.32Å; V489-K492 PolarHBondContact O-N 3.4Å; K490-K492 VanDerWaalsContact C-N 3.3Å; K490-K492 PolarHBondContact O-N 3.39Å; K492-Q495 PolarHBondContact O-N 2.93Å; K492-L496 HydrophobicContact CB-CD1 4.27Å; K492-L496 VanDerWaalsContact O-CB 3.23Å; K492-L496 WeakPolarHBondContact O-CB 3.39Å; K492-L496 WeakPolarHBondContact O-CG 3.4Å; K492-L496 PolarHBondContact O-N 2.85Å
493	V	97.4	Very high	96.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-49.4	177.4	179.1	0	0	0	0	110.4	L313 V489 K490 Q495 L496 M497 A504	L313-V493 HydrophobicContact CD1-CG2 3.89Å; L313-V493 HydrophobicContact CD2-CG2 3.78Å; V489-V493 HydrophobicContact CG2-CG2 4.04Å; V489-V493 WeakPolarHBondContact O-CG2 3.21Å; V489-V493 PolarHBondContact O-N 3.48Å; K490-V493 WeakPolarHBondContact O-CB 3.33Å; K490-V493 PolarHBondContact O-N 3.02Å; K490-V493 VanDerWaalsContact O-N 3.09Å; V493-Q495 VanDerWaalsContact C-N 3.29Å; V493-Q495 PolarHBondContact O-N 2.99Å; V493-L496 PolarHBondContact O-N 2.72Å; V493-M497 HydrophobicContact CB-CG 4.3Å; V493-M497 HydrophobicContact CG1-CB 3.98Å; V493-M497 HydrophobicContact CG1-CG 3.96Å; V493-M497 VanDerWaalsContact O-CB 3.3Å; V493-M497 WeakPolarHBondContact O-CB 3.34Å; V493-M497 PolarHBondContact O-N 3.39Å; V493-A504 HydrophobicContact CB-CB 3.98Å; V493-A504 HydrophobicContact CG1-CB 3.65Å
494	K	97.4	Very high	96.8	Very high	58 Å²	58	48.9 Å²	48.9	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-55.8	-43	177.4	-70.7	-179.3	66.2	-178.2	0	113	K490 D501 A504	K490-K494 HydrophobicContact CG-CD 4.24Å; K490-K494 HydrophobicContact CG-CG 4.47Å; K490-K494 WeakPolarHBondContact O-CG 3.42Å; K490-K494 PolarHBondContact O-N 3.02Å; K494-D501 WeakPolarHBondContact CE-OD1 3.1Å; K494-A504 HydrophobicContact CG-CB 3.91Å
495	Q	95.9	Very high	96.8	Very high	146 Å²	146	48.9 Å²	48.9	68%	0.682	24%	0.244	S	C	*	.	H	α-helix	trans	-78.2	-34.2	-175.6	-70.8	172	17.7	0	0	113.6	E491 K492 V493	E491-Q495 WeakPolarHBondContact O-CB 3.23Å; E491-Q495 WeakPolarHBondContact O-CG 3.39Å; E491-Q495 PolarHBondContact O-N 3.34Å; K492-Q495 PolarHBondContact O-N 2.93Å; V493-Q495 VanDerWaalsContact C-N 3.29Å; V493-Q495 PolarHBondContact O-N 2.99Å
496	L	94.3	Very high	96.8	Very high	92 Å²	92	52.6 Å²	52.6	48%	0.482	26%	0.264	S	S	.	.	H	α-helix	trans	-117	-25.1	-161.9	-54.6	173.5	0	0	0	113	A312 K492 V493	A312-L496 HydrophobicContact CB-CB 4.37Å; A312-L496 HydrophobicContact CB-CD1 3.63Å; K492-L496 HydrophobicContact CB-CD1 4.27Å; K492-L496 VanDerWaalsContact O-CB 3.23Å; K492-L496 WeakPolarHBondContact O-CB 3.39Å; K492-L496 WeakPolarHBondContact O-CG 3.4Å; K492-L496 PolarHBondContact O-N 2.85Å; V493-L496 PolarHBondContact O-N 2.72Å
497	M	93.8	Very high	96.8	Very high	16 Å²	16	52.7 Å²	52.7	8%	0.079	27%	0.265	C	S	.	.	S	Bend	trans	-95.5	146.8	-175	-57.6	-66.9	87	0	0	112.2	L313 V493 K499 G500	L313-M497 HydrophobicContact CD1-CG 4.08Å; L313-M497 HydrophobicContact CD1-SD 3.96Å; L313-M497 HydrophobicContact CD2-CG 4.11Å; L313-M497 HydrophobicContact CD2-SD 4.38Å; L313-M497 HydrophobicContact CG-CG 4.4Å; L313-M497 HydrophobicContact CG-SD 4.14Å; V493-M497 HydrophobicContact CB-CG 4.3Å; V493-M497 HydrophobicContact CG1-CB 3.98Å; V493-M497 HydrophobicContact CG1-CG 3.96Å; V493-M497 VanDerWaalsContact O-CB 3.3Å; V493-M497 WeakPolarHBondContact O-CB 3.34Å; V493-M497 PolarHBondContact O-N 3.39Å; M497-K499 PolarHBondContact O-N 3.36Å; M497-G500 PolarHBondContact O-N 2.93Å
498	P	91.8	Very high	96.8	Very high	85 Å²	85	53.7 Å²	53.7	55%	0.552	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	129.2	175.5	-24.2	34.1	0	0	0	111.6	G500	P498-G500 PolarHBondContact O-N 3.28Å; P498-G500 VanDerWaalsContact O-N 3.15Å
499	K	95.3	Very high	96.8	Very high	122 Å²	122	50.5 Å²	50.5	53%	0.53	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	24.2	-176.8	-51.4	-177.4	-179	-169.5	0	113.5	R448 M497 D501 L502 V503	R448-K499 PolarHBondContact O-NZ 2.87Å; M497-K499 PolarHBondContact O-N 3.36Å; K499-D501 PolarHBondContact O-N 2.63Å; K499-D501 VanDerWaalsContact O-N 3.14Å; K499-L502 WeakPolarHBondContact O-CA 3.33Å; K499-L502 WeakPolarHBondContact O-CB 3.33Å; K499-L502 PolarHBondContact O-N 2.76Å; K499-V503 HydrophobicContact CB-CG1 4.13Å; K499-V503 PolarHBondContact O-N 3.1Å
500	G	95.7	Very high	96.8	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-52.6	-37.8	-176	0	0	0	0	0	114	M497 P498 L502 V503 A504	M497-G500 PolarHBondContact O-N 2.93Å; P498-G500 PolarHBondContact O-N 3.28Å; P498-G500 VanDerWaalsContact O-N 3.15Å; G500-L502 PolarHBondContact O-N 3.14Å; G500-V503 PolarHBondContact O-N 3.13Å; G500-A504 WeakPolarHBondContact O-CB 3.32Å; G500-A504 PolarHBondContact O-N 2.91Å
501	D	96.8	Very high	96.8	Very high	127 Å²	127	51 Å²	51	68%	0.679	26%	0.263	S	S	*	.	H	α-helix	trans	-58.9	-27.8	175.8	-75.8	-35.3	0	0	0	114.2	K494 K499	K494-D501 WeakPolarHBondContact CE-OD1 3.1Å; K499-D501 PolarHBondContact O-N 2.63Å; K499-D501 VanDerWaalsContact O-N 3.14Å
502	L	97.8	Very high	96.8	Very high	71 Å²	71	46 Å²	46	37%	0.372	24%	0.24	S	C	.	.	H	α-helix	trans	-92.9	-47.9	178	177.9	65.8	0	0	0	111.8	A439 Y445 K499 G500	A439-L502 WeakPolarHBondContact CB-O 3.32Å; Y445-L502 HydrophobicContact CD1-CD1 4.35Å; Y445-L502 HydrophobicContact CD1-CD2 4.22Å; Y445-L502 HydrophobicContact CD1-CG 4.19Å; Y445-L502 HydrophobicContact CD2-CD1 4.24Å; Y445-L502 HydrophobicContact CD2-CG 4.22Å; Y445-L502 HydrophobicContact CE1-CD1 3.89Å; Y445-L502 HydrophobicContact CE1-CD2 4.31Å; Y445-L502 HydrophobicContact CE1-CG 4.22Å; Y445-L502 HydrophobicContact CE2-CD1 3.79Å; Y445-L502 HydrophobicContact CE2-CG 4.28Å; Y445-L502 HydrophobicContact CG-CG 4.19Å; K499-L502 WeakPolarHBondContact O-CA 3.33Å; K499-L502 WeakPolarHBondContact O-CB 3.33Å; K499-L502 PolarHBondContact O-N 2.76Å; G500-L502 PolarHBondContact O-N 3.14Å
503	V	97.3	Very high	96.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-91.9	-16.5	-165.3	-51.9	0	0	0	0	113.7	M447 N482 K499 G500 C505	M447-V503 HydrophobicContact SD-CG2 4.12Å; N482-V503 WeakPolarHBondContact CA-O 3.21Å; N482-V503 HydrophobicContact CB-CB 4.03Å; N482-V503 HydrophobicContact CB-CG2 4.27Å; N482-V503 WeakPolarHBondContact CB-O 3.49Å; K499-V503 HydrophobicContact CB-CG1 4.13Å; K499-V503 PolarHBondContact O-N 3.1Å; G500-V503 PolarHBondContact O-N 3.13Å; V503-C505 PolarHBondContact O-N 2.83Å
504	A	98.2	Very high	96.9	Very high	4 Å²	4	43 Å²	43	3%	0.033	23%	0.227	C	C	.	.			trans	-56.9	126.4	-175.8	0	0	0	0	0	111.5	K490 V493 K494 G500	K490-A504 HydrophobicContact CG-CB 4.04Å; V493-A504 HydrophobicContact CB-CB 3.98Å; V493-A504 HydrophobicContact CG1-CB 3.65Å; K494-A504 HydrophobicContact CG-CB 3.91Å; G500-A504 WeakPolarHBondContact O-CB 3.32Å; G500-A504 PolarHBondContact O-N 2.91Å
505	C	98.5	Very high	96.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-59.8	137.6	173.8	-179.4	0	0	0	0	110	G481 E483 M486 G487 V503 V507	G481-C505 PolarHBondContact O-N 2.82Å; G481-C505 VanDerWaalsContact O-N 3.11Å; E483-C505 VanDerWaalsContact O-CB 3.25Å; E483-C505 WeakPolarHBondContact O-CB 3.18Å; E483-C505 PolarHBondContact O-SG 2.66Å; M486-C505 HydrophobicContact CB-CB 4.23Å; G487-C505 VanDerWaalsContact CA-O 3.24Å; G487-C505 WeakPolarHBondContact CA-O 3.17Å; V503-C505 PolarHBondContact O-N 2.83Å; C505-V507 PolarHBondContact SG-N 3.24Å; C505-V507 VanDerWaalsContact SG-N 3.44Å; C505-V507 PolarHBondContact SG-O 3.02Å; C505-V507 VanDerWaalsContact SG-O 3.4Å
506	D	98.4	Very high	97	Very high	77 Å²	77	33.3 Å²	33.3	41%	0.412	18%	0.183	S	C	.	.			trans	-92.5	-21.2	177.8	-160.5	52.3	0	0	0	112	R438 K490	R438-D506 WeakPolarHBondContact O-CB 3.28Å; R438-D506 PolarHBondContact O-N 3.02Å; K490-D506 IonicContact NZ-OD1 2.68Å; K490-D506 PolarHBondContact NZ-OD1 3.47Å
507	V	98.5	Very high	97.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.024	16%	0.16	C	C	.	.			trans	-91.1	111.9	-174.7	-176.1	0	0	0	0	110.4	R438 D460 F463 L464 L484 G485 G487 C505	R438-V507 HydrophobicContact CB-CG2 4.31Å; D460-V507 HydrophobicContact CB-CB 4.49Å; D460-V507 HydrophobicContact CB-CG1 4.46Å; D460-V507 HydrophobicContact CB-CG2 3.99Å; F463-V507 HydrophobicContact CB-CG1 3.91Å; L464-V507 HydrophobicContact CD1-CG2 4.35Å; L464-V507 HydrophobicContact CD2-CG1 3.97Å; L464-V507 HydrophobicContact CD2-CG2 4.21Å; L464-V507 HydrophobicContact CG-CG1 4.07Å; L464-V507 HydrophobicContact CG-CG2 4.28Å; L484-V507 HydrophobicContact CD1-CB 3.86Å; L484-V507 HydrophobicContact CD1-CG1 3.61Å; G485-V507 CarbonylContact C-O 3.6Å; G485-V507 WeakPolarHBondContact CA-O 3.36Å; G485-V507 PolarHBondContact N-O 2.81Å; G485-V507 VanDerWaalsContact N-O 3.11Å; G487-V507 WeakPolarHBondContact CA-O 3.32Å; G487-V507 PolarHBondContact N-O 3.2Å; G487-V507 VanDerWaalsContact N-O 3.1Å; C505-V507 PolarHBondContact SG-N 3.24Å; C505-V507 VanDerWaalsContact SG-N 3.44Å; C505-V507 PolarHBondContact SG-O 3.02Å; C505-V507 VanDerWaalsContact SG-O 3.4Å
508	A	98.1	Very high	97.4	Very high	34 Å²	34	28.1 Å²	28.1	28%	0.281	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-86.1	139	177.6	0	0	0	0	0	111.9	Q467 K488	Q467-A508 PolarHBondContact NE2-O 3.06Å; K488-A508 HydrophobicContact CB-CB 4.26Å
509	A	98	Very high	97.7	Very high	7 Å²	7	24.1 Å²	24.1	6%	0.058	13%	0.13	C	C	.	.			trans	-100.1	165.2	167.8	0	0	0	0	0	111	F463 T474 G485 K488 C511	F463-A509 HydrophobicContact CD1-CB 4.49Å; T474-A509 VanDerWaalsContact OG1-CA 3.3Å; T474-A509 WeakPolarHBondContact OG1-CA 3.47Å; G485-A509 PolarHBondContact O-N 2.89Å; K488-A509 WeakPolarHBondContact CD-O 3.4Å; A509-C511 VanDerWaalsContact C-N 3.29Å; A509-C511 VanDerWaalsContact CB-O 3.31Å; A509-C511 WeakPolarHBondContact CB-O 3.2Å; A509-C511 PolarHBondContact O-N 2.6Å
510	D	97.8	Very high	97.9	Very high	46 Å²	46	18.4 Å²	18.4	25%	0.246	11%	0.105	C	C	.	.	S	Bend	trans	-65.2	-36.1	174.7	-60	-71.2	0	0	0	111.8	M473 T474 K488	M473-D510 HydrophobicContact CE-CB 3.6Å; M473-D510 HydrophobicContact SD-CB 4.26Å; T474-D510 PolarHBondContact N-OD2 2.89Å; T474-D510 WeakPolarHBondContact O-CB 3.39Å; T474-D510 PolarHBondContact O-N 2.94Å; T474-D510 PolarHBondContact OG1-N 2.76Å; T474-D510 PolarHBondContact OG1-OD2 2.67Å; K488-D510 PolarHBondContact NZ-O 2.84Å
511	C	97.9	Very high	98	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.1	171.4	-55.4	0	0	0	0	110.6	E318 C322 T474 T475 G476 A509	E318-C511 WeakPolarHBondContact OE2-CA 3.18Å; C322-C511 HydrophobicContact CB-CB 4.15Å; T474-C511 PolarHBondContact O-N 3.28Å; T475-C511 CarbonylContact C-O 3.59Å; T475-C511 VanDerWaalsContact CA-O 3.31Å; T475-C511 WeakPolarHBondContact CA-O 3.3Å; T475-C511 HydrophobicContact CG2-CB 4.17Å; G476-C511 PolarHBondContact N-O 2.73Å; A509-C511 VanDerWaalsContact C-N 3.29Å; A509-C511 VanDerWaalsContact CB-O 3.31Å; A509-C511 WeakPolarHBondContact CB-O 3.2Å; A509-C511 PolarHBondContact O-N 2.6Å
512	A	98	Very high	98.1	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.008	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	96.3	174.7	0	0	0	0	0	109.3	E318 G476 M486 K488	E318-A512 WeakPolarHBondContact CB-O 3.38Å; E318-A512 WeakPolarHBondContact CG-O 3.33Å; E318-A512 PolarHBondContact OE2-N 2.9Å; G476-A512 CarbonylContact O-C 3.53Å; G476-A512 WeakPolarHBondContact O-CA 3.2Å; M486-A512 HydrophobicContact CE-CB 3.71Å; M486-A512 HydrophobicContact SD-CB 4.26Å; K488-A512 HydrophobicContact CB-CB 3.89Å; K488-A512 HydrophobicContact CD-CB 3.94Å; K488-A512 HydrophobicContact CG-CB 4.32Å
513	V	98.6	Very high	98.2	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.006	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116.3	179.9	-173.6	0	0	0	0	109	I301 E318 L319 C322 T475 G476 I477 G478 A521	I301-V513 HydrophobicContact CD1-CG1 4.02Å; E318-V513 HydrophobicContact CB-CG2 4.42Å; L319-V513 HydrophobicContact CB-CG1 4.28Å; L319-V513 HydrophobicContact CD1-CG1 4.27Å; C322-V513 HydrophobicContact CB-CG2 4.01Å; T475-V513 HydrophobicContact CG2-CG2 4.29Å; G476-V513 PolarHBondContact O-N 3.42Å; I477-V513 WeakPolarHBondContact CA-O 3.48Å; I477-V513 HydrophobicContact CG1-CB 4.18Å; G478-V513 PolarHBondContact N-O 3.47Å; V513-A521 HydrophobicContact CG1-CB 3.87Å
514	T	97.8	Very high	98.2	Very high	8 Å²	8	8.8 Å²	8.8	5%	0.049	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.1	176.7	58.3	0	0	0	0	110.4	I310 L313 G478 M486	I310-T514 HydrophobicContact CD1-CG2 4.38Å; L313-T514 HydrophobicContact CB-CG2 3.81Å; G478-T514 WeakPolarHBondContact O-CA 3.2Å; M486-T514 HydrophobicContact SD-CG2 4.17Å
515	A	97.6	Very high	98.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.			trans	-143.5	159.7	175.4	0	0	0	0	0	110.5	I301 I310 G478 D479 V517 A521	I301-A515 HydrophobicContact CB-CB 3.92Å; I301-A515 HydrophobicContact CD1-CB 4.2Å; I301-A515 HydrophobicContact CG1-CB 4.11Å; I301-A515 CarbonylContact O-C 3.5Å; I301-A515 VanDerWaalsContact O-CA 3.3Å; I301-A515 WeakPolarHBondContact O-CA 3.47Å; I301-A515 WeakPolarHBondContact O-CB 3.44Å; I310-A515 WeakPolarHBondContact CG1-O 3.33Å; G478-A515 PolarHBondContact O-N 2.93Å; D479-A515 WeakPolarHBondContact CA-O 3.46Å; D479-A515 WeakPolarHBondContact CB-O 3.41Å; A515-V517 WeakPolarHBondContact CB-O 3.2Å; A515-V517 PolarHBondContact O-N 3.4Å; A515-A521 HydrophobicContact CB-CB 3.75Å
516	G	96.8	Very high	98.3	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.01	5%	0.052	C	C	.	.	S	Bend	trans	-66.1	-16.2	177.4	0	0	0	0	0	114.5	I301 D303	I301-G516 PolarHBondContact O-N 3.37Å; D303-G516 WeakPolarHBondContact O-CA 3.49Å
517	V	97.8	Very high	98.3	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.033	C	C	.	.	S	Bend	trans	-150	131.4	169.7	177.7	0	0	0	0	106.7	D351 A515 N519 W520 V594 D595 L597	D351-V517 HydrophobicContact CB-CG1 4.48Å; D351-V517 WeakPolarHBondContact OD1-CG1 3.46Å; A515-V517 WeakPolarHBondContact CB-O 3.2Å; A515-V517 PolarHBondContact O-N 3.4Å; V517-N519 VanDerWaalsContact C-N 3.29Å; V517-N519 HydrophobicContact CG1-CB 4.06Å; V517-N519 PolarHBondContact O-N 3.35Å; V517-W520 HydrophobicContact CB-CD2 3.63Å; V517-W520 HydrophobicContact CB-CE3 3.93Å; V517-W520 HydrophobicContact CB-CG 3.98Å; V517-W520 HydrophobicContact CB-CH2 4.36Å; V517-W520 HydrophobicContact CB-CZ2 4.1Å; V517-W520 HydrophobicContact CB-CZ3 4.28Å; V517-W520 HydrophobicContact CG2-CD2 3.99Å; V517-W520 HydrophobicContact CG2-CE3 4.07Å; V517-W520 HydrophobicContact CG2-CH2 3.63Å; V517-W520 HydrophobicContact CG2-CZ2 3.53Å; V517-W520 HydrophobicContact CG2-CZ3 3.91Å; V517-W520 WeakPolarHBondContact O-CB 3.39Å; V517-W520 PolarHBondContact O-N 3.48Å; V517-V594 HydrophobicContact CG1-CG1 3.73Å; V517-D595 HydrophobicContact CG2-CB 4.41Å; V517-L597 HydrophobicContact CG2-CD1 4.06Å
518	S	98.1	Very high	98.3	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-60.5	-36.5	-175.1	-72.7	0	0	0	0	112.9	D351 I433 E434 G478 W520 A521 G522	D351-S518 PolarHBondContact OD1-N 2.65Å; D351-S518 WeakPolarHBondContact OD2-CB 3.39Å; D351-S518 PolarHBondContact OD2-N 3.25Å; I433-S518 WeakPolarHBondContact CD1-O 3.43Å; E434-S518 VanDerWaalsContact OE2-CB 3.32Å; E434-S518 WeakPolarHBondContact OE2-CB 3.34Å; E434-S518 PolarHBondContact OE2-OG 2.88Å; G478-S518 VanDerWaalsContact CA-OG 3.29Å; G478-S518 WeakPolarHBondContact CA-OG 3.49Å; S518-W520 PolarHBondContact O-N 2.73Å; S518-A521 WeakPolarHBondContact O-CB 3.33Å; S518-A521 PolarHBondContact O-N 2.79Å; S518-A521 VanDerWaalsContact O-N 3.11Å; S518-G522 PolarHBondContact O-N 3.29Å; S518-G522 VanDerWaalsContact O-N 3.14Å
519	N	98.7	Very high	98.4	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-52.5	-39.3	173.4	-78.6	-28.4	0	0	0	113.1	T350 D351 G352 P354 G355 V517 A521 G522 Y523	T350-N519 PolarHBondContact O-ND2 3.02Å; T350-N519 VanDerWaalsContact O-ND2 3.1Å; D351-N519 WeakPolarHBondContact OD1-CB 3.31Å; D351-N519 PolarHBondContact OD1-N 3.49Å; D351-N519 PolarHBondContact OD1-ND2 2.89Å; D351-N519 VanDerWaalsContact OD1-ND2 3.16Å; G352-N519 WeakPolarHBondContact CA-OD1 3.44Å; G352-N519 PolarHBondContact N-OD1 3.16Å; G352-N519 PolarHBondContact O-OD1 2.81Å; P354-N519 WeakPolarHBondContact CD-OD1 3.35Å; P354-N519 WeakPolarHBondContact CG-ND2 3.47Å; G355-N519 PolarHBondContact N-OD1 3.18Å; V517-N519 VanDerWaalsContact C-N 3.29Å; V517-N519 HydrophobicContact CG1-CB 4.06Å; V517-N519 PolarHBondContact O-N 3.35Å; N519-A521 PolarHBondContact O-N 2.9Å; N519-G522 PolarHBondContact O-N 3Å; N519-G522 VanDerWaalsContact O-N 3.15Å; N519-Y523 HydrophobicContact CB-CE2 4.24Å; N519-Y523 WeakPolarHBondContact O-CD1 3.45Å; N519-Y523 WeakPolarHBondContact O-CD2 3.48Å; N519-Y523 VanDerWaalsContact O-CG 3.26Å; N519-Y523 PolarHBondContact O-N 3.46Å
520	W	98.8	Very high	98.4	Very high	2 Å²	2	3.2 Å²	3.2	1%	0.008	2%	0.017	C	C	.	.	H	α-helix	trans	-65.1	-39.8	-179.8	-59.1	-14.3	0	0	0	112.1	I301 D303 P305 V517 S518 G522 Y523 A524 L597 T602 H603 M606	I301-W520 HydrophobicContact CB-CB 4.19Å; I301-W520 HydrophobicContact CG2-CB 3.97Å; I301-W520 WeakPolarHBondContact CG2-O 3.48Å; D303-W520 WeakPolarHBondContact O-CZ3 3.29Å; P305-W520 HydrophobicContact CG-CH2 3.7Å; P305-W520 HydrophobicContact CG-CZ3 4.37Å; V517-W520 HydrophobicContact CB-CD2 3.63Å; V517-W520 HydrophobicContact CB-CE3 3.93Å; V517-W520 HydrophobicContact CB-CG 3.98Å; V517-W520 HydrophobicContact CB-CH2 4.36Å; V517-W520 HydrophobicContact CB-CZ2 4.1Å; V517-W520 HydrophobicContact CB-CZ3 4.28Å; V517-W520 HydrophobicContact CG2-CD2 3.99Å; V517-W520 HydrophobicContact CG2-CE3 4.07Å; V517-W520 HydrophobicContact CG2-CH2 3.63Å; V517-W520 HydrophobicContact CG2-CZ2 3.53Å; V517-W520 HydrophobicContact CG2-CZ3 3.91Å; V517-W520 WeakPolarHBondContact O-CB 3.39Å; V517-W520 PolarHBondContact O-N 3.48Å; S518-W520 PolarHBondContact O-N 2.73Å; W520-G522 VanDerWaalsContact C-N 3.34Å; W520-Y523 AromaticContact CD1-CE2 3.88Å; W520-Y523 WeakPolarHBondContact O-CB 3.46Å; W520-Y523 PolarHBondContact O-N 2.94Å; W520-A524 WeakPolarHBondContact O-CB 3.4Å; W520-A524 PolarHBondContact O-N 2.83Å; W520-L597 HydrophobicContact CH2-CD1 4.09Å; W520-L597 HydrophobicContact CZ2-CD1 4.26Å; W520-T602 HydrophobicContact CH2-CG2 4.45Å; W520-T602 HydrophobicContact CZ2-CG2 4.14Å; W520-H603 AromaticContact CE2-CE1 3.97Å; W520-H603 AromaticContact CE2-ND1 3.75Å; W520-H603 AromaticContact CZ2-CE1 3.82Å; W520-H603 AromaticContact CZ2-ND1 3.94Å; W520-H603 AromaticContact NE1-CE1 3.63Å; W520-H603 AromaticContact NE1-CG 3.91Å; W520-H603 AromaticContact NE1-ND1 3Å; W520-H603 PolarHBondContact NE1-ND1 3.28Å; W520-M606 HydrophobicContact CB-CG 4.17Å; W520-M606 HydrophobicContact CD2-CB 4.49Å; W520-M606 HydrophobicContact CD2-CE 3.79Å; W520-M606 HydrophobicContact CD2-CG 3.73Å; W520-M606 HydrophobicContact CD2-SD 4.43Å; W520-M606 HydrophobicContact CE3-CE 3.48Å; W520-M606 VanDerWaalsContact CE3-CE 3.48Å; W520-M606 HydrophobicContact CE3-CG 4.41Å; W520-M606 HydrophobicContact CG-CE 4.49Å; W520-M606 HydrophobicContact CG-CG 3.61Å; W520-M606 HydrophobicContact CH2-CE 4.17Å; W520-M606 HydrophobicContact CZ2-CE 4.43Å; W520-M606 HydrophobicContact CZ3-CE 3.68Å
521	A	98.7	Very high	98.4	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-62.5	-41	172.3	0	0	0	0	0	111.6	I301 I477 V513 A515 S518 N519 Y523 A524 V525	I301-A521 HydrophobicContact CD1-CB 3.98Å; I477-A521 HydrophobicContact CG2-CB 3.3Å; V513-A521 HydrophobicContact CG1-CB 3.87Å; A515-A521 HydrophobicContact CB-CB 3.75Å; S518-A521 WeakPolarHBondContact O-CB 3.33Å; S518-A521 PolarHBondContact O-N 2.79Å; S518-A521 VanDerWaalsContact O-N 3.11Å; N519-A521 PolarHBondContact O-N 2.9Å; A521-Y523 VanDerWaalsContact C-N 3.33Å; A521-Y523 PolarHBondContact O-N 3.13Å; A521-A524 PolarHBondContact O-N 3.36Å; A521-V525 WeakPolarHBondContact O-CG2 3.44Å; A521-V525 PolarHBondContact O-N 2.94Å
522	G	98.8	Very high	98.4	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-57.6	-42.5	172.9	0	0	0	0	0	113.1	M359 S518 N519 W520 V525 A526	M359-G522 VanDerWaalsContact CG-O 3.32Å; M359-G522 WeakPolarHBondContact CG-O 3.09Å; S518-G522 PolarHBondContact O-N 3.29Å; S518-G522 VanDerWaalsContact O-N 3.14Å; N519-G522 PolarHBondContact O-N 3Å; N519-G522 VanDerWaalsContact O-N 3.15Å; W520-G522 VanDerWaalsContact C-N 3.34Å; G522-V525 PolarHBondContact O-N 3.48Å; G522-A526 PolarHBondContact O-N 3.34Å; G522-A526 VanDerWaalsContact O-N 3.13Å
523	Y	98.9	Very high	98.2	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-64.6	-43.1	174.1	-52.6	-28.3	0	0	0	112.2	P354 A358 N519 W520 A521 V525 A526 C527 P565 E570 I607 L610	P354-Y523 HydrophobicContact CB-CE1 4.48Å; A358-Y523 HydrophobicContact CB-CD1 3.65Å; A358-Y523 HydrophobicContact CB-CE1 4.04Å; N519-Y523 HydrophobicContact CB-CE2 4.24Å; N519-Y523 WeakPolarHBondContact O-CD1 3.45Å; N519-Y523 WeakPolarHBondContact O-CD2 3.48Å; N519-Y523 VanDerWaalsContact O-CG 3.26Å; N519-Y523 PolarHBondContact O-N 3.46Å; W520-Y523 AromaticContact CD1-CE2 3.88Å; W520-Y523 WeakPolarHBondContact O-CB 3.46Å; W520-Y523 PolarHBondContact O-N 2.94Å; A521-Y523 VanDerWaalsContact C-N 3.33Å; A521-Y523 PolarHBondContact O-N 3.13Å; Y523-V525 VanDerWaalsContact C-N 3.33Å; Y523-V525 PolarHBondContact O-N 3.04Å; Y523-A526 WeakPolarHBondContact O-CB 3.24Å; Y523-A526 PolarHBondContact O-N 2.9Å; Y523-C527 PolarHBondContact O-N 3.42Å; Y523-C527 PolarHBondContact O-SG 2.88Å; Y523-C527 VanDerWaalsContact O-SG 3.41Å; Y523-P565 HydrophobicContact CD1-CB 3.92Å; Y523-P565 HydrophobicContact CG-CB 4.09Å; Y523-P565 HydrophobicContact CG-CG 4.45Å; Y523-E570 WeakPolarHBondContact CE1-OE2 3.17Å; Y523-E570 PolarHBondContact OH-OE1 2.98Å; Y523-E570 PolarHBondContact OH-OE2 3.22Å; Y523-I607 HydrophobicContact CD2-CG1 3.82Å; Y523-I607 HydrophobicContact CE2-CD1 4.11Å; Y523-I607 HydrophobicContact CE2-CG1 3.87Å; Y523-L610 HydrophobicContact CD2-CD1 4.45Å
524	A	98.9	Very high	97.9	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-66.2	-34	178.5	0	0	0	0	0	112.4	L297 I301 L319 W520 A521 C527 G528 L610	L297-A524 HydrophobicContact CB-CB 4.22Å; I301-A524 HydrophobicContact CD1-CB 4.03Å; I301-A524 HydrophobicContact CG2-CB 3.58Å; L319-A524 HydrophobicContact CD1-CB 4.2Å; L319-A524 HydrophobicContact CD2-CB 3.87Å; W520-A524 WeakPolarHBondContact O-CB 3.4Å; W520-A524 PolarHBondContact O-N 2.83Å; A521-A524 PolarHBondContact O-N 3.36Å; A524-C527 PolarHBondContact O-N 3.1Å; A524-G528 PolarHBondContact O-N 2.68Å; A524-L610 HydrophobicContact CB-CD1 4.49Å; A524-L610 HydrophobicContact CB-CD2 4.34Å
525	V	98.9	Very high	97.7	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-62.4	-46.5	170.7	170.2	0	0	0	0	110.4	L319 L326 M359 I477 A521 G522 Y523 C527 G528 L529	L319-V525 HydrophobicContact CD1-CB 4.46Å; L319-V525 HydrophobicContact CD1-CG2 3.57Å; L326-V525 HydrophobicContact CD1-CG1 3.55Å; M359-V525 HydrophobicContact CG-CB 3.97Å; M359-V525 HydrophobicContact CG-CG1 3.88Å; M359-V525 HydrophobicContact SD-CB 3.85Å; M359-V525 HydrophobicContact SD-CG1 3.73Å; M359-V525 HydrophobicContact SD-CG2 4.16Å; I477-V525 HydrophobicContact CD1-CG2 4.27Å; A521-V525 WeakPolarHBondContact O-CG2 3.44Å; A521-V525 PolarHBondContact O-N 2.94Å; G522-V525 PolarHBondContact O-N 3.48Å; Y523-V525 VanDerWaalsContact C-N 3.33Å; Y523-V525 PolarHBondContact O-N 3.04Å; V525-C527 VanDerWaalsContact C-N 3.35Å; V525-C527 PolarHBondContact O-N 3.13Å; V525-G528 PolarHBondContact O-N 3.13Å; V525-L529 HydrophobicContact CG1-CD1 4.01Å; V525-L529 HydrophobicContact CG1-CG 4.39Å; V525-L529 WeakPolarHBondContact O-CB 3.17Å; V525-L529 VanDerWaalsContact O-CG 3.3Å; V525-L529 WeakPolarHBondContact O-CG 3.25Å; V525-L529 PolarHBondContact O-N 3Å
526	A	98.9	Very high	97.3	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-59.1	-45	175.9	0	0	0	0	0	112	M362 G522 Y523 L529 Y530	M362-A526 HydrophobicContact CB-CB 3.81Å; M362-A526 HydrophobicContact CG-CB 4.21Å; G522-A526 PolarHBondContact O-N 3.34Å; G522-A526 VanDerWaalsContact O-N 3.13Å; Y523-A526 WeakPolarHBondContact O-CB 3.24Å; Y523-A526 PolarHBondContact O-N 2.9Å; A526-L529 PolarHBondContact O-N 3.44Å; A526-Y530 PolarHBondContact O-N 2.73Å; A526-Y530 VanDerWaalsContact O-N 3.1Å
527	C	98.9	Very high	97.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63	-43.2	174.6	-72.6	0	0	0	0	112.9	L297 Y523 A524 V525 Y530 L531 T614	L297-C527 HydrophobicContact CD1-CB 3.61Å; L297-C527 HydrophobicContact CD2-CB 4.44Å; Y523-C527 PolarHBondContact O-N 3.42Å; Y523-C527 PolarHBondContact O-SG 2.88Å; Y523-C527 VanDerWaalsContact O-SG 3.41Å; A524-C527 PolarHBondContact O-N 3.1Å; V525-C527 VanDerWaalsContact C-N 3.35Å; V525-C527 PolarHBondContact O-N 3.13Å; C527-Y530 WeakPolarHBondContact O-CB 3.22Å; C527-Y530 PolarHBondContact O-N 3.24Å; C527-L531 WeakPolarHBondContact O-CG 3.46Å; C527-L531 PolarHBondContact O-N 3.33Å; C527-T614 HydrophobicContact CB-CG2 4.19Å; C527-T614 VanDerWaalsContact CB-OG1 3.26Å; C527-T614 WeakPolarHBondContact CB-OG1 3.33Å; C527-T614 PolarHBondContact SG-OG1 2.99Å; C527-T614 VanDerWaalsContact SG-OG1 3.39Å
528	G	98.8	Very high	97	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64	-41.4	177.9	0	0	0	0	0	112.3	A524 V525 Y530 L531 L532	A524-G528 PolarHBondContact O-N 2.68Å; V525-G528 PolarHBondContact O-N 3.13Å; G528-Y530 VanDerWaalsContact C-N 3.34Å; G528-Y530 PolarHBondContact O-N 3.09Å; G528-L531 PolarHBondContact O-N 3.29Å; G528-L532 WeakPolarHBondContact O-CG 3.33Å; G528-L532 PolarHBondContact O-N 3.13Å
529	L	98.8	Very high	96.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.7	-41.6	172.8	-74.3	171.5	0	0	0	112.1	L326 M362 L363 L366 V525 A526 L532 H533	L326-L529 HydrophobicContact CB-CD2 3.82Å; L326-L529 HydrophobicContact CD1-CD1 4.46Å; M362-L529 HydrophobicContact CG-CB 4.1Å; M362-L529 HydrophobicContact CG-CD1 4.43Å; L363-L529 HydrophobicContact CD2-CD1 3.58Å; L363-L529 HydrophobicContact CG-CD1 4.04Å; L366-L529 HydrophobicContact CD1-CB 3.91Å; L366-L529 HydrophobicContact CD1-CD2 4.49Å; V525-L529 HydrophobicContact CG1-CD1 4.01Å; V525-L529 HydrophobicContact CG1-CG 4.39Å; V525-L529 WeakPolarHBondContact O-CB 3.17Å; V525-L529 VanDerWaalsContact O-CG 3.3Å; V525-L529 WeakPolarHBondContact O-CG 3.25Å; V525-L529 PolarHBondContact O-N 3Å; A526-L529 PolarHBondContact O-N 3.44Å; L529-L532 PolarHBondContact O-N 3.23Å; L529-H533 PolarHBondContact O-N 2.9Å; L529-H533 PolarHBondContact O-ND1 3.1Å
530	Y	98.4	Very high	96.4	Very high	9 Å²	9	11.3 Å²	11.3	4%	0.035	6%	0.061	C	C	.	.	H	α-helix	trans	-61.2	-47.1	174.2	175.2	-92.2	0	0	0	111.7	M362 A526 C527 G528 L532 H533 T534 W560 R561 L564 T614 L615	M362-Y530 VanDerWaalsContact CE-CA 3.48Å; M362-Y530 HydrophobicContact CE-CD2 4.14Å; M362-Y530 HydrophobicContact CE-CG 4.4Å; A526-Y530 PolarHBondContact O-N 2.73Å; A526-Y530 VanDerWaalsContact O-N 3.1Å; C527-Y530 WeakPolarHBondContact O-CB 3.22Å; C527-Y530 PolarHBondContact O-N 3.24Å; G528-Y530 VanDerWaalsContact C-N 3.34Å; G528-Y530 PolarHBondContact O-N 3.09Å; Y530-L532 VanDerWaalsContact C-N 3.32Å; Y530-L532 PolarHBondContact O-N 3.33Å; Y530-H533 PolarHBondContact O-N 3.46Å; Y530-T534 HydrophobicContact CE1-CG2 4.08Å; Y530-T534 HydrophobicContact CE2-CG2 4.06Å; Y530-T534 WeakPolarHBondContact O-CG2 3.36Å; Y530-T534 PolarHBondContact O-N 3.18Å; Y530-T534 PolarHBondContact O-OG1 2.95Å; Y530-W560 HydrophobicContact CD2-CB 3.85Å; Y530-W560 HydrophobicContact CE2-CB 3.92Å; Y530-R561 HydrophobicContact CE2-CG 3.72Å; Y530-R561 WeakPolarHBondContact OH-CG 3.47Å; Y530-R561 PolarHBondContact OH-NE 3.46Å; Y530-L564 HydrophobicContact CD1-CD1 4.48Å; Y530-L564 HydrophobicContact CD2-CD1 4.29Å; Y530-L564 HydrophobicContact CD2-CD2 4.45Å; Y530-L564 HydrophobicContact CD2-CG 4.41Å; Y530-L564 HydrophobicContact CG-CD1 4.28Å; Y530-L564 HydrophobicContact CG-CD2 4.06Å; Y530-L564 HydrophobicContact CG-CG 4.44Å; Y530-T614 HydrophobicContact CD1-CG2 3.47Å; Y530-T614 VanDerWaalsContact CD1-CG2 3.47Å; Y530-T614 HydrophobicContact CE1-CG2 4.07Å; Y530-T614 HydrophobicContact CG-CG2 4.23Å; Y530-L615 HydrophobicContact CE1-CD2 3.96Å
531	L	98.3	Very high	96.2	Very high	5 Å²	5	11.2 Å²	11.2	3%	0.026	6%	0.061	C	C	.	.	H	α-helix	trans	-61.9	-38.5	178.6	-73.5	171.4	0	0	0	112.4	T290 K293 I294 L297 C527 G528 T534 C535 T614	T290-L531 HydrophobicContact CG2-CB 4.06Å; K293-L531 HydrophobicContact CB-CD1 3.78Å; K293-L531 HydrophobicContact CD-CD1 4.42Å; K293-L531 HydrophobicContact CD-CD2 3.71Å; I294-L531 HydrophobicContact CG1-CB 4.46Å; I294-L531 HydrophobicContact CG1-CD1 4.03Å; L297-L531 HydrophobicContact CD1-CD1 3.83Å; C527-L531 WeakPolarHBondContact O-CG 3.46Å; C527-L531 PolarHBondContact O-N 3.33Å; G528-L531 PolarHBondContact O-N 3.29Å; L531-T534 PolarHBondContact O-OG1 3.41Å; L531-C535 VanDerWaalsContact O-CB 3.31Å; L531-C535 WeakPolarHBondContact O-CB 3.23Å; L531-C535 PolarHBondContact O-N 3.06Å; L531-T614 HydrophobicContact CD2-CG2 4.47Å; L531-T614 HydrophobicContact CG-CG2 4.27Å
532	L	97.4	Very high	96	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.7	-40.7	174	-73	-180	0	0	0	112.2	V286 T290 I294 C323 L324 G528 L529 Y530 T534 C535 H538	V286-L532 HydrophobicContact CB-CD2 4.08Å; V286-L532 HydrophobicContact CG2-CD2 3.52Å; T290-L532 HydrophobicContact CG2-CD2 4.04Å; I294-L532 HydrophobicContact CD1-CD2 4Å; I294-L532 HydrophobicContact CD1-CG 3.96Å; C323-L532 VanDerWaalsContact C-CD1 3.43Å; C323-L532 HydrophobicContact CB-CD1 3.69Å; C323-L532 VanDerWaalsContact O-CD1 3.29Å; C323-L532 WeakPolarHBondContact O-CD1 3.31Å; L324-L532 HydrophobicContact CD2-CD1 3.99Å; L324-L532 HydrophobicContact CD2-CD2 3.79Å; L324-L532 HydrophobicContact CG-CD1 4.35Å; G528-L532 WeakPolarHBondContact O-CG 3.33Å; G528-L532 PolarHBondContact O-N 3.13Å; L529-L532 PolarHBondContact O-N 3.23Å; Y530-L532 VanDerWaalsContact C-N 3.32Å; Y530-L532 PolarHBondContact O-N 3.33Å; L532-T534 VanDerWaalsContact C-N 3.26Å; L532-T534 PolarHBondContact O-N 3.5Å; L532-C535 WeakPolarHBondContact O-CB 3.19Å; L532-C535 PolarHBondContact O-N 2.8Å; L532-H538 PolarHBondContact O-CD2 3.4Å
533	H	93.9	Very high	95.8	Very high	15 Å²	15	16.2 Å²	16.2	7%	0.069	8%	0.083	C	C	.	.	H	α-helix	trans	-73.8	-18.8	-179.9	-75.1	76.2	0	0	0	113.7	L366 L529 Y530 Q539 W560	L366-H533 VanDerWaalsContact CD1-CE1 3.43Å; L366-H533 WeakPolarHBondContact CD1-CE1 3.41Å; L366-H533 HydrophobicContact CD2-CB 3.86Å; L366-H533 VanDerWaalsContact CD2-CD2 3.46Å; L366-H533 WeakPolarHBondContact CD2-CD2 3.07Å; L529-H533 PolarHBondContact O-N 2.9Å; L529-H533 PolarHBondContact O-ND1 3.1Å; Y530-H533 PolarHBondContact O-N 3.46Å; H533-Q539 VanDerWaalsContact O-CG 3.28Å; H533-Q539 WeakPolarHBondContact O-CG 3.11Å; H533-W560 HydrophobicContact CB-CE3 4.21Å; H533-W560 HydrophobicContact CB-CH2 3.92Å; H533-W560 HydrophobicContact CB-CZ2 4.46Å; H533-W560 HydrophobicContact CB-CZ3 3.77Å; H533-W560 WeakPolarHBondContact O-CZ3 3.48Å
534	T	93.1	Very high	95.6	Very high	49 Å²	49	18 Å²	18	30%	0.301	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.8	172.1	53.7	0	0	0	0	113.1	Y530 L531 L532 P536 L557 W560	Y530-T534 HydrophobicContact CE1-CG2 4.08Å; Y530-T534 HydrophobicContact CE2-CG2 4.06Å; Y530-T534 WeakPolarHBondContact O-CG2 3.36Å; Y530-T534 PolarHBondContact O-N 3.18Å; Y530-T534 PolarHBondContact O-OG1 2.95Å; L531-T534 PolarHBondContact O-OG1 3.41Å; L532-T534 VanDerWaalsContact C-N 3.26Å; L532-T534 PolarHBondContact O-N 3.5Å; T534-P536 VanDerWaalsContact O-CD 3.31Å; T534-P536 WeakPolarHBondContact O-CD 3.43Å; T534-L557 HydrophobicContact CG2-CD2 3.83Å; T534-W560 HydrophobicContact CG2-CE3 4.21Å; T534-W560 HydrophobicContact CG2-CZ3 4.23Å
535	C	93.1	Very high	95.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.007	9%	0.091	C	C	.	.			trans	-82.8	113.5	175.7	179.6	0	0	0	0	110.5	S287 T290 L531 L532 A537 H538 Q539	S287-C535 PolarHBondContact OG-SG 3.3Å; T290-C535 HydrophobicContact CG2-CB 4.03Å; T290-C535 WeakPolarHBondContact OG1-CB 2.97Å; L531-C535 VanDerWaalsContact O-CB 3.31Å; L531-C535 WeakPolarHBondContact O-CB 3.23Å; L531-C535 PolarHBondContact O-N 3.06Å; L532-C535 WeakPolarHBondContact O-CB 3.19Å; L532-C535 PolarHBondContact O-N 2.8Å; C535-A537 VanDerWaalsContact C-N 3.33Å; C535-A537 PolarHBondContact O-N 3.31Å; C535-H538 HydrophobicContact CB-CB 3.88Å; C535-H538 PolarHBondContact O-N 3.45Å; C535-Q539 PolarHBondContact O-N 3.22Å
536	P	90.1	Very high	94.9	Very high	54 Å²	54	18.7 Å²	18.7	35%	0.351	9%	0.094	S	C	.	.	H	α-helix	trans	-67	-33.5	-174.5	-19.1	31	0	0	0	113.8	T534 Q539 R540 Q549	T534-P536 VanDerWaalsContact O-CD 3.31Å; T534-P536 WeakPolarHBondContact O-CD 3.43Å; P536-Q539 PolarHBondContact O-N 2.97Å; P536-R540 VanDerWaalsContact O-CB 3.32Å; P536-R540 WeakPolarHBondContact O-CB 3.49Å; P536-R540 PolarHBondContact O-N 2.87Å; P536-Q549 HydrophobicContact CB-CG 4.48Å
537	A	91.5	Very high	94.2	Very high	15 Å²	15	19.1 Å²	19.1	12%	0.124	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-45.7	174.6	0	0	0	0	0	111.5	P271 C535 R540 Y541	P271-A537 HydrophobicContact CB-CB 4.19Å; P271-A537 HydrophobicContact CG-CB 3.92Å; C535-A537 VanDerWaalsContact C-N 3.33Å; C535-A537 PolarHBondContact O-N 3.31Å; A537-R540 PolarHBondContact O-N 2.84Å; A537-Y541 PolarHBondContact O-N 3.44Å; A537-Y541 VanDerWaalsContact O-N 3.1Å
538	H	95.4	Very high	92.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.1	-44.6	178.7	-171.5	63.9	0	0	0	111.9	S284 L285 S327 L532 C535 R540 Y541 L542	S284-H538 PolarHBondContact OG-CE1 3.11Å; S284-H538 VanDerWaalsContact OG-CE1 3.31Å; L285-H538 WeakPolarHBondContact O-CA 3.17Å; L285-H538 WeakPolarHBondContact O-CB 3.36Å; L285-H538 PolarHBondContact O-ND1 3.32Å; S327-H538 WeakPolarHBondContact CB-NE2 3.44Å; S327-H538 PolarHBondContact OG-CE1 2.92Å; S327-H538 PolarHBondContact OG-NE2 2.86Å; L532-H538 PolarHBondContact O-CD2 3.4Å; C535-H538 HydrophobicContact CB-CB 3.88Å; C535-H538 PolarHBondContact O-N 3.45Å; H538-R540 VanDerWaalsContact C-N 3.32Å; H538-R540 PolarHBondContact O-N 2.87Å; H538-Y541 WeakPolarHBondContact O-CB 3.47Å; H538-Y541 PolarHBondContact O-N 3.22Å; H538-L542 WeakPolarHBondContact NE2-CD1 3.32Å; H538-L542 PolarHBondContact O-N 3.18Å
539	Q	92.6	Very high	90.9	Very high	35 Å²	35	31 Å²	31	16%	0.164	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-36.6	176.6	-76.2	-61.2	-54.7	0	0	113.1	H533 C535 P536 Y541 R543	H533-Q539 VanDerWaalsContact O-CG 3.28Å; H533-Q539 WeakPolarHBondContact O-CG 3.11Å; C535-Q539 PolarHBondContact O-N 3.22Å; P536-Q539 PolarHBondContact O-N 2.97Å; Q539-Y541 VanDerWaalsContact C-N 3.34Å; Q539-R543 WeakPolarHBondContact O-CG 3.47Å; Q539-R543 PolarHBondContact O-N 2.71Å; Q539-R543 PolarHBondContact O-NE 2.81Å
540	R	92.3	Very high	88.7	Confident	52 Å²	52	36.1 Å²	36.1	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-42.9	171.9	-173.9	-172.3	164.2	-73.3	1.8	110.6	H189 A191 P192 P536 A537 H538 R543 R544 G545	H189-R540 PolarHBondContact O-NH2 2.9Å; A191-R540 VanDerWaalsContact O-CZ 3.31Å; A191-R540 PolarHBondContact O-NH1 2.64Å; A191-R540 PolarHBondContact O-NH2 3.01Å; P192-R540 PolarHBondContact O-NH1 2.79Å; P536-R540 VanDerWaalsContact O-CB 3.32Å; P536-R540 WeakPolarHBondContact O-CB 3.49Å; P536-R540 PolarHBondContact O-N 2.87Å; A537-R540 PolarHBondContact O-N 2.84Å; H538-R540 VanDerWaalsContact C-N 3.32Å; H538-R540 PolarHBondContact O-N 2.87Å; R540-R543 PolarHBondContact O-N 3.14Å; R540-R544 PolarHBondContact O-N 3.39Å; R540-G545 PolarHBondContact O-N 3.47Å
541	Y	95.5	Very high	86.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-47.3	179.6	-173.7	-104.4	0	0	0	112.8	V195 Y283 L285 H328 A537 H538 Q539 R543 R544	V195-Y541 HydrophobicContact CG2-CE2 4.24Å; V195-Y541 PolarHBondContact N-OH 3.39Å; Y283-Y541 WeakPolarHBondContact O-CE1 3.38Å; Y283-Y541 PolarHBondContact O-OH 2.88Å; L285-Y541 HydrophobicContact CB-CD1 4.48Å; L285-Y541 HydrophobicContact CB-CD2 4.13Å; L285-Y541 HydrophobicContact CB-CG 3.98Å; L285-Y541 HydrophobicContact CD1-CD2 3.48Å; L285-Y541 VanDerWaalsContact CD1-CD2 3.48Å; L285-Y541 HydrophobicContact CD1-CE2 3.92Å; L285-Y541 HydrophobicContact CD1-CG 4.16Å; L285-Y541 HydrophobicContact CG-CD1 4.46Å; L285-Y541 HydrophobicContact CG-CD2 3.54Å; L285-Y541 HydrophobicContact CG-CE2 3.79Å; L285-Y541 HydrophobicContact CG-CG 3.9Å; H328-Y541 AromaticContact CE1-CE1 3.77Å; A537-Y541 PolarHBondContact O-N 3.44Å; A537-Y541 VanDerWaalsContact O-N 3.1Å; H538-Y541 WeakPolarHBondContact O-CB 3.47Å; H538-Y541 PolarHBondContact O-N 3.22Å; Q539-Y541 VanDerWaalsContact C-N 3.34Å; Y541-R543 PolarHBondContact O-N 2.84Å; Y541-R544 PolarHBondContact O-N 2.71Å
542	L	94.4	Very high	84.9	Confident	44 Å²	44	42.3 Å²	42.3	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-37.7	177.8	-74	179.7	0	0	0	112.4	H328 H538 R544	H328-L542 WeakPolarHBondContact CE1-CD2 3.43Å; H328-L542 WeakPolarHBondContact ND1-CD2 3.43Å; H538-L542 WeakPolarHBondContact NE2-CD1 3.32Å; H538-L542 PolarHBondContact O-N 3.18Å; L542-R544 VanDerWaalsContact C-N 3.25Å; L542-R544 PolarHBondContact O-N 3.07Å
543	R	93.1	Very high	83.7	Confident	62 Å²	62	45.4 Å²	45.4	23%	0.234	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	8.5	178.4	-64.1	-179.8	-67.8	164.9	7.4	113.8	Q539 R540 Y541 G545 L546 L548	Q539-R543 WeakPolarHBondContact O-CG 3.47Å; Q539-R543 PolarHBondContact O-N 2.71Å; Q539-R543 PolarHBondContact O-NE 2.81Å; R540-R543 PolarHBondContact O-N 3.14Å; Y541-R543 PolarHBondContact O-N 2.84Å; R543-G545 PolarHBondContact O-N 3.34Å; R543-G545 VanDerWaalsContact O-N 3.17Å; R543-L546 WeakPolarHBondContact CB-O 3.49Å; R543-L546 VanDerWaalsContact O-CB 3.3Å; R543-L546 WeakPolarHBondContact O-CB 3.35Å; R543-L546 PolarHBondContact O-N 3.25Å; R543-L548 PolarHBondContact NH1-O 3.11Å; R543-L548 PolarHBondContact NH2-O 2.87Å
544	R	94.8	Very high	83	Confident	36 Å²	36	50 Å²	50	14%	0.136	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	32.1	-178	-48.5	-59.1	-177.4	-163.5	-3.2	112.9	V151 L163 V193 H194 R540 Y541 L542 L546	V151-R544 HydrophobicContact CG1-CB 4.41Å; V151-R544 HydrophobicContact CG1-CG 4.25Å; V151-R544 HydrophobicContact CG2-CG 4.45Å; L163-R544 HydrophobicContact CD2-CB 4.29Å; V193-R544 HydrophobicContact CB-CB 4.34Å; V193-R544 VanDerWaalsContact CG1-O 3.23Å; V193-R544 WeakPolarHBondContact CG1-O 3.19Å; V193-R544 WeakPolarHBondContact O-CD 3.29Å; V193-R544 PolarHBondContact O-NH1 3.32Å; H194-R544 PolarHBondContact ND1-NH1 2.84Å; R540-R544 PolarHBondContact O-N 3.39Å; Y541-R544 PolarHBondContact O-N 2.71Å; L542-R544 VanDerWaalsContact C-N 3.25Å; L542-R544 PolarHBondContact O-N 3.07Å; R544-L546 PolarHBondContact O-N 2.75Å
545	G	90.9	Very high	82.6	Confident	3 Å²	3	54 Å²	54	3%	0.031	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	4.7	-176.5	0	0	0	0	0	115.3	A51 R540 R543	A51-G545 WeakPolarHBondContact CB-O 3.49Å; A51-G545 PolarHBondContact N-O 2.79Å; R540-G545 PolarHBondContact O-N 3.47Å; R543-G545 PolarHBondContact O-N 3.34Å; R543-G545 VanDerWaalsContact O-N 3.17Å
546	L	91.9	Very high	82.3	Confident	12 Å²	12	57.8 Å²	57.8	6%	0.063	31%	0.305	C	S	.	.			trans	-88.6	157.9	178.5	-53.1	178.2	0	0	0	111.6	N49 P52 V151 H152 L163 R543 R544	N49-L546 HydrophobicContact CB-CD2 4.33Å; P52-L546 HydrophobicContact CG-CD2 3.9Å; V151-L546 HydrophobicContact CG1-CD1 3.74Å; H152-L546 VanDerWaalsContact O-CD1 3.27Å; H152-L546 WeakPolarHBondContact O-CD1 3.35Å; L163-L546 HydrophobicContact CD1-CD2 4.38Å; R543-L546 WeakPolarHBondContact CB-O 3.49Å; R543-L546 VanDerWaalsContact O-CB 3.3Å; R543-L546 WeakPolarHBondContact O-CB 3.35Å; R543-L546 PolarHBondContact O-N 3.25Å; R544-L546 PolarHBondContact O-N 2.75Å
547	G	85.2	Confident	82.3	Confident	9 Å²	9	57 Å²	57	9%	0.093	30%	0.297	C	S	.	.	S	Bend	trans	77.4	155.2	-175.5	0	0	0	0	0	113.3	S48	S48-G547 WeakPolarHBondContact O-CA 3.31Å; S48-G547 PolarHBondContact O-N 3.03Å
548	L	67.9	Low	82.3	Confident	109 Å²	109	61.8 Å²	61.8	57%	0.571	32%	0.317	S	S	*	.			trans	-57.6	145	166.7	-71.6	168	0	0	0	108.9	H47 R543 L550	H47-L548 WeakPolarHBondContact O-CD2 3.45Å; R543-L548 PolarHBondContact NH1-O 3.11Å; R543-L548 PolarHBondContact NH2-O 2.87Å; L548-L550 PolarHBondContact O-N 3.5Å
549	Q	60.3	Low	82.2	Confident	141 Å²	141	64.1 Å²	64.1	66%	0.659	33%	0.33	S	S	*	.			trans	-59.8	93.9	162.7	-166.4	172.9	-14.3	0	0	105.9	P536 V551	P536-Q549 HydrophobicContact CB-CG 4.48Å; Q549-V551 PolarHBondContact O-N 2.85Å
550	L	53.2	Low	82.4	Confident	108 Å²	108	62.9 Å²	62.9	57%	0.565	32%	0.324	S	S	*	.			trans	-57.4	121.8	-179.4	-82.4	158.1	0	0	0	104.8	L548 T552	L548-L550 PolarHBondContact O-N 3.5Å; L550-T552 PolarHBondContact O-N 3.35Å
551	V	52.8	Low	82.5	Confident	123 Å²	123	66.4 Å²	66.4	75%	0.745	34%	0.337	S	S	*	.			trans	-55.9	98.7	138.1	-178	0	0	0	0	102.3	Q549 C553	Q549-V551 PolarHBondContact O-N 2.85Å; V551-C553 PolarHBondContact O-N 2.69Å
552	T	62.7	Low	82.5	Confident	20 Å²	20	76 Å²	76	12%	0.123	37%	0.373	C	S	.	.			trans	-45.4	117.2	171.4	-57.3	0	0	0	0	104.8	L550 D554 Q556 L557 W560	L550-T552 PolarHBondContact O-N 3.35Å; T552-D554 PolarHBondContact O-N 3.01Å; T552-Q556 HydrophobicContact CG2-CB 3.81Å; T552-Q556 HydrophobicContact CG2-CG 3.71Å; T552-L557 HydrophobicContact CG2-CB 4.46Å; T552-L557 HydrophobicContact CG2-CD2 3.63Å; T552-L557 HydrophobicContact CG2-CG 3.52Å; T552-L557 WeakPolarHBondContact O-CD1 3.24Å; T552-W560 HydrophobicContact CG2-CE3 4.08Å; T552-W560 HydrophobicContact CG2-CH2 3.56Å; T552-W560 HydrophobicContact CG2-CZ2 4.19Å; T552-W560 HydrophobicContact CG2-CZ3 3.51Å
553	C	72.9	Confident	82.7	Confident	66 Å²	66	74.4 Å²	74.4	45%	0.446	37%	0.365	S	S	.	.			trans	-57.2	145.5	-168.9	67.4	0	0	0	0	108.4	V551 L555 Q556 L557	V551-C553 PolarHBondContact O-N 2.69Å; C553-L555 PolarHBondContact O-N 3.15Å; C553-Q556 WeakPolarHBondContact O-CA 2.96Å; C553-Q556 PolarHBondContact O-N 3.3Å; C553-Q556 VanDerWaalsContact SG-CB 3.55Å; C553-Q556 PolarHBondContact SG-N 3.19Å; C553-L557 PolarHBondContact O-N 2.9Å
554	D	79.4	Confident	82.9	Confident	111 Å²	111	71.8 Å²	71.8	59%	0.594	36%	0.355	S	S	*	.	H	α-helix	trans	-52.8	-33.9	-173.3	-72.3	-31.5	0	0	0	111.8	T552 L557 Q558	T552-D554 PolarHBondContact O-N 3.01Å; D554-L557 PolarHBondContact O-N 3.1Å; D554-Q558 VanDerWaalsContact O-CB 3.24Å; D554-Q558 WeakPolarHBondContact O-CB 3.36Å; D554-Q558 WeakPolarHBondContact O-CG 3.2Å; D554-Q558 PolarHBondContact O-N 3Å
555	L	84.4	Confident	83	Confident	134 Å²	134	70.5 Å²	70.5	70%	0.702	35%	0.351	S	S	*	.	H	α-helix	trans	-60.8	-44.8	173.8	-65.2	174.5	0	0	0	113.3	C553 Q558 D559	C553-L555 PolarHBondContact O-N 3.15Å; L555-Q558 PolarHBondContact O-N 3.5Å; L555-D559 WeakPolarHBondContact O-CB 3.39Å; L555-D559 PolarHBondContact O-N 3.49Å
556	Q	88.3	Confident	83.4	Confident	80 Å²	80	72 Å²	72	37%	0.374	36%	0.361	S	S	.	.	H	α-helix	trans	-71.7	-39	179.1	-178.4	173.7	38.9	0	0	111.5	T552 C553 Q558 D559 W560	T552-Q556 HydrophobicContact CG2-CB 3.81Å; T552-Q556 HydrophobicContact CG2-CG 3.71Å; C553-Q556 WeakPolarHBondContact O-CA 2.96Å; C553-Q556 PolarHBondContact O-N 3.3Å; C553-Q556 VanDerWaalsContact SG-CB 3.55Å; C553-Q556 PolarHBondContact SG-N 3.19Å; Q556-Q558 VanDerWaalsContact C-N 3.34Å; Q556-Q558 PolarHBondContact O-N 3.37Å; Q556-D559 PolarHBondContact O-N 3.43Å; Q556-W560 VanDerWaalsContact CD-CZ2 3.47Å; Q556-W560 HydrophobicContact CG-CD2 4.18Å; Q556-W560 VanDerWaalsContact CG-CE2 3.49Å; Q556-W560 HydrophobicContact CG-CH2 4.26Å; Q556-W560 HydrophobicContact CG-CZ2 3.55Å; Q556-W560 VanDerWaalsContact O-CG 3.24Å; Q556-W560 PolarHBondContact O-N 3.23Å
557	L	89.8	Confident	83.7	Confident	37 Å²	37	73.2 Å²	73.2	19%	0.194	37%	0.369	C	S	.	.	H	α-helix	trans	-62.4	-42.1	172.3	-74.3	173.6	0	0	0	112	T534 T552 C553 D554 W560 R561	T534-L557 HydrophobicContact CG2-CD2 3.83Å; T552-L557 HydrophobicContact CG2-CB 4.46Å; T552-L557 HydrophobicContact CG2-CD2 3.63Å; T552-L557 HydrophobicContact CG2-CG 3.52Å; T552-L557 WeakPolarHBondContact O-CD1 3.24Å; C553-L557 PolarHBondContact O-N 2.9Å; D554-L557 PolarHBondContact O-N 3.1Å; L557-W560 HydrophobicContact CD2-CE3 4.03Å; L557-W560 HydrophobicContact CD2-CZ3 4.17Å; L557-W560 PolarHBondContact O-N 2.72Å; L557-R561 WeakPolarHBondContact O-CB 3.45Å; L557-R561 VanDerWaalsContact O-CG 3.29Å; L557-R561 WeakPolarHBondContact O-CG 3.47Å; L557-R561 PolarHBondContact O-N 2.73Å
558	Q	91.3	Very high	84.3	Confident	115 Å²	115	80 Å²	80	54%	0.537	40%	0.398	S	S	.	.	H	α-helix	trans	-64.4	-41.1	176.1	-75.9	170.3	13.8	0	0	111.5	D554 L555 Q556 R561 R562	D554-Q558 VanDerWaalsContact O-CB 3.24Å; D554-Q558 WeakPolarHBondContact O-CB 3.36Å; D554-Q558 WeakPolarHBondContact O-CG 3.2Å; D554-Q558 PolarHBondContact O-N 3Å; L555-Q558 PolarHBondContact O-N 3.5Å; Q556-Q558 VanDerWaalsContact C-N 3.34Å; Q556-Q558 PolarHBondContact O-N 3.37Å; Q558-R561 PolarHBondContact O-N 2.64Å; Q558-R562 WeakPolarHBondContact O-CB 3.27Å; Q558-R562 PolarHBondContact O-N 3.49Å
559	D	93.9	Very high	85.7	Confident	50 Å²	50	76.6 Å²	76.6	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-61	-49.4	174.5	-179.9	68.3	0	0	0	111.2	K396 L555 Q556 R561 R562 N563	K396-D559 IonicContact NZ-OD1 3.91Å; K396-D559 PolarHBondContact NZ-OD1 2.76Å; K396-D559 IonicContact NZ-OD2 3.91Å; K396-D559 PolarHBondContact NZ-OD2 3.23Å; L555-D559 WeakPolarHBondContact O-CB 3.39Å; L555-D559 PolarHBondContact O-N 3.49Å; Q556-D559 PolarHBondContact O-N 3.43Å; D559-R561 VanDerWaalsContact C-N 3.35Å; D559-R561 PolarHBondContact O-N 3.36Å; D559-R562 PolarHBondContact O-N 2.98Å; D559-N563 PolarHBondContact O-N 2.87Å; D559-N563 VanDerWaalsContact O-N 3.13Å; D559-N563 PolarHBondContact O-ND2 2.63Å; D559-N563 PolarHBondContact OD1-ND2 3.13Å
560	W	95.1	Very high	87.5	Confident	9 Å²	9	70.4 Å²	70.4	3%	0.034	35%	0.35	C	S	.	.	H	α-helix	trans	-59.9	-44.2	176.7	-61.7	-15	0	0	0	112.1	M362 S365 L366 Y530 H533 T534 T552 Q556 L557 R562 N563 L564	M362-W560 HydrophobicContact CE-CB 4.3Å; S365-W560 PolarHBondContact O-NE1 2.95Å; S365-W560 VanDerWaalsContact O-NE1 3.13Å; L366-W560 HydrophobicContact CD2-CD2 4.06Å; L366-W560 HydrophobicContact CD2-CG 4.23Å; L366-W560 HydrophobicContact CD2-CZ2 4.09Å; Y530-W560 HydrophobicContact CD2-CB 3.85Å; Y530-W560 HydrophobicContact CE2-CB 3.92Å; H533-W560 HydrophobicContact CB-CE3 4.21Å; H533-W560 HydrophobicContact CB-CH2 3.92Å; H533-W560 HydrophobicContact CB-CZ2 4.46Å; H533-W560 HydrophobicContact CB-CZ3 3.77Å; H533-W560 WeakPolarHBondContact O-CZ3 3.48Å; T534-W560 HydrophobicContact CG2-CE3 4.21Å; T534-W560 HydrophobicContact CG2-CZ3 4.23Å; T552-W560 HydrophobicContact CG2-CE3 4.08Å; T552-W560 HydrophobicContact CG2-CH2 3.56Å; T552-W560 HydrophobicContact CG2-CZ2 4.19Å; T552-W560 HydrophobicContact CG2-CZ3 3.51Å; Q556-W560 VanDerWaalsContact CD-CZ2 3.47Å; Q556-W560 HydrophobicContact CG-CD2 4.18Å; Q556-W560 VanDerWaalsContact CG-CE2 3.49Å; Q556-W560 HydrophobicContact CG-CH2 4.26Å; Q556-W560 HydrophobicContact CG-CZ2 3.55Å; Q556-W560 VanDerWaalsContact O-CG 3.24Å; Q556-W560 PolarHBondContact O-N 3.23Å; L557-W560 HydrophobicContact CD2-CE3 4.03Å; L557-W560 HydrophobicContact CD2-CZ3 4.17Å; L557-W560 PolarHBondContact O-N 2.72Å; W560-R562 PolarHBondContact O-N 3.32Å; W560-N563 PolarHBondContact O-N 3.05Å; W560-N563 VanDerWaalsContact O-N 3.09Å; W560-L564 PolarHBondContact O-N 3.05Å
561	R	95.7	Very high	89.6	Confident	125 Å²	125	69.2 Å²	69.2	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-41.1	176.7	-76.9	179.3	177	172.8	3.6	112.5	Y530 L557 Q558 D559 N563 L564 L615	Y530-R561 HydrophobicContact CE2-CG 3.72Å; Y530-R561 WeakPolarHBondContact OH-CG 3.47Å; Y530-R561 PolarHBondContact OH-NE 3.46Å; L557-R561 WeakPolarHBondContact O-CB 3.45Å; L557-R561 VanDerWaalsContact O-CG 3.29Å; L557-R561 WeakPolarHBondContact O-CG 3.47Å; L557-R561 PolarHBondContact O-N 2.73Å; Q558-R561 PolarHBondContact O-N 2.64Å; D559-R561 VanDerWaalsContact C-N 3.35Å; D559-R561 PolarHBondContact O-N 3.36Å; R561-N563 PolarHBondContact O-N 3.03Å; R561-L564 WeakPolarHBondContact O-CB 3.42Å; R561-L564 PolarHBondContact O-N 2.92Å; R561-L615 HydrophobicContact CG-CD2 4.16Å
562	R	95.7	Very high	91.8	Very high	203 Å²	203	66.6 Å²	66.6	77%	0.766	32%	0.323	S	S	*	.	H	α-helix	trans	-64.9	-24.2	176.7	-176.7	176.1	177.5	176.2	-0.1	112.1	Q558 D559 W560 K569	Q558-R562 WeakPolarHBondContact O-CB 3.27Å; Q558-R562 PolarHBondContact O-N 3.49Å; D559-R562 PolarHBondContact O-N 2.98Å; W560-R562 PolarHBondContact O-N 3.32Å; R562-K569 WeakPolarHBondContact O-CE 3.38Å; R562-K569 PolarHBondContact O-NZ 2.69Å
563	N	97	Very high	93.5	Very high	10 Å²	10	65.9 Å²	65.9	5%	0.053	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	0.1	-178.3	-73	-62.4	0	0	0	114.3	T361 S365 D559 W560 R561	T361-N563 HydrophobicContact CG2-CB 3.87Å; T361-N563 WeakPolarHBondContact CG2-OD1 3.48Å; S365-N563 WeakPolarHBondContact CB-ND2 3.25Å; D559-N563 PolarHBondContact O-N 2.87Å; D559-N563 VanDerWaalsContact O-N 3.13Å; D559-N563 PolarHBondContact O-ND2 2.63Å; D559-N563 PolarHBondContact OD1-ND2 3.13Å; W560-N563 PolarHBondContact O-N 3.05Å; W560-N563 VanDerWaalsContact O-N 3.09Å; R561-N563 PolarHBondContact O-N 3.03Å
564	L	98.3	Very high	94.7	Very high	6 Å²	6	62.7 Å²	62.7	3%	0.031	30%	0.297	C	S	.	.	S	Bend	trans	-62	156.9	164.8	-74.5	170.2	0	0	0	111.5	Y530 W560 R561 L611 T614 L615	Y530-L564 HydrophobicContact CD1-CD1 4.48Å; Y530-L564 HydrophobicContact CD2-CD1 4.29Å; Y530-L564 HydrophobicContact CD2-CD2 4.45Å; Y530-L564 HydrophobicContact CD2-CG 4.41Å; Y530-L564 HydrophobicContact CG-CD1 4.28Å; Y530-L564 HydrophobicContact CG-CD2 4.06Å; Y530-L564 HydrophobicContact CG-CG 4.44Å; W560-L564 PolarHBondContact O-N 3.05Å; R561-L564 WeakPolarHBondContact O-CB 3.42Å; R561-L564 PolarHBondContact O-N 2.92Å; L564-L611 HydrophobicContact CB-CD2 4.02Å; L564-L611 HydrophobicContact CD1-CD2 4.07Å; L564-T614 HydrophobicContact CD1-CG2 4.12Å; L564-T614 HydrophobicContact CD2-CG2 4.17Å; L564-L615 HydrophobicContact CD1-CD1 4.38Å; L564-L615 HydrophobicContact CD1-CD2 3.86Å; L564-L615 HydrophobicContact CD1-CG 4.27Å
565	P	97.5	Very high	95.5	Very high	9 Å²	9	58.1 Å²	58.1	6%	0.058	28%	0.276	C	S	.	.			trans	-58.9	144.9	169.9	26.4	-35	0	0	0	110.2	Y523 L611	Y523-P565 HydrophobicContact CD1-CB 3.92Å; Y523-P565 HydrophobicContact CG-CB 4.09Å; Y523-P565 HydrophobicContact CG-CG 4.45Å; P565-L611 WeakPolarHBondContact O-CD1 3.45Å
566	S	97.9	Very high	96.2	Very high	34 Å²	34	51.7 Å²	51.7	24%	0.238	24%	0.242	C	C	.	.			trans	-143.7	151.9	175	78.3	0	0	0	0	110.4	Q568 K569 E570	S566-Q568 PolarHBondContact O-N 2.76Å; S566-K569 PolarHBondContact O-N 3.45Å; S566-K569 WeakPolarHBondContact OG-CG 3.31Å; S566-K569 PolarHBondContact OG-N 2.99Å; S566-E570 WeakPolarHBondContact O-CB 3.36Å; S566-E570 PolarHBondContact O-N 3.34Å
567	V	98.3	Very high	96.7	Very high	38 Å²	38	47.9 Å²	47.9	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-54.2	-42.2	177.8	176.8	0	0	0	0	110.6	E570 E571 F599 S604 I607	V567-E570 PolarHBondContact O-N 3.43Å; V567-E571 VanDerWaalsContact O-CB 3.23Å; V567-E571 WeakPolarHBondContact O-CB 3.26Å; V567-E571 PolarHBondContact O-N 3.36Å; V567-F599 HydrophobicContact CG1-CE1 4.14Å; V567-F599 HydrophobicContact CG1-CZ 3.96Å; V567-S604 WeakPolarHBondContact CG2-O 3.48Å; V567-I607 HydrophobicContact CG2-CB 4.27Å; V567-I607 HydrophobicContact CG2-CG2 4.22Å
568	Q	97.9	Very high	97	Very high	151 Å²	151	47.5 Å²	47.5	71%	0.706	22%	0.223	S	C	*	.	H	α-helix	trans	-64.2	-45.7	179.9	-175.1	-176.7	17.7	0	0	113	S566 E570 L572	S566-Q568 PolarHBondContact O-N 2.76Å; Q568-E570 VanDerWaalsContact C-N 3.32Å; Q568-L572 WeakPolarHBondContact O-CB 3.37Å; Q568-L572 PolarHBondContact O-N 3.37Å; Q568-L572 VanDerWaalsContact O-N 3.08Å
569	K	97.6	Very high	97.3	Very high	38 Å²	38	48.7 Å²	48.7	17%	0.165	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-41.7	179.3	-76.2	-178.2	-179.7	-177.9	0	111	V394 R562 S566 L572 F573	V394-K569 HydrophobicContact CG1-CB 4.47Å; V394-K569 HydrophobicContact CG2-CB 4.48Å; R562-K569 WeakPolarHBondContact O-CE 3.38Å; R562-K569 PolarHBondContact O-NZ 2.69Å; S566-K569 PolarHBondContact O-N 3.45Å; S566-K569 WeakPolarHBondContact OG-CG 3.31Å; S566-K569 PolarHBondContact OG-N 2.99Å; K569-L572 PolarHBondContact O-N 3.44Å; K569-F573 WeakPolarHBondContact O-CB 3.42Å; K569-F573 PolarHBondContact O-N 3.25Å
570	E	97.5	Very high	97.4	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.056	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-46.8	179.6	-175.2	58.3	-152.2	0	0	111.7	P354 Y523 S566 V567 Q568 L572 F573 L574 F599 I607	P354-E570 VanDerWaalsContact CB-CD 3.47Å; P354-E570 WeakPolarHBondContact CB-OE1 3.45Å; P354-E570 VanDerWaalsContact CB-OE2 3.24Å; P354-E570 WeakPolarHBondContact CB-OE2 3.3Å; P354-E570 VanDerWaalsContact CG-OE1 3.31Å; P354-E570 WeakPolarHBondContact CG-OE1 3.28Å; Y523-E570 WeakPolarHBondContact CE1-OE2 3.17Å; Y523-E570 PolarHBondContact OH-OE1 2.98Å; Y523-E570 PolarHBondContact OH-OE2 3.22Å; S566-E570 WeakPolarHBondContact O-CB 3.36Å; S566-E570 PolarHBondContact O-N 3.34Å; V567-E570 PolarHBondContact O-N 3.43Å; Q568-E570 VanDerWaalsContact C-N 3.32Å; E570-L572 PolarHBondContact O-N 3.45Å; E570-F573 PolarHBondContact O-N 3.19Å; E570-L574 WeakPolarHBondContact O-CB 3.48Å; E570-L574 PolarHBondContact O-N 2.86Å; E570-F599 HydrophobicContact CB-CE2 3.96Å; E570-F599 HydrophobicContact CB-CZ 4.18Å; E570-F599 HydrophobicContact CG-CD2 4.3Å; E570-F599 HydrophobicContact CG-CE2 3.44Å; E570-F599 VanDerWaalsContact CG-CE2 3.44Å; E570-F599 HydrophobicContact CG-CZ 4.17Å; E570-I607 HydrophobicContact CB-CD1 3.55Å; E570-I607 HydrophobicContact CG-CD1 3.77Å
571	E	98.1	Very high	97.5	Very high	82 Å²	82	50.1 Å²	50.1	38%	0.383	23%	0.232	S	C	.	.	H	α-helix	trans	-56.9	-42.8	176.5	-170.8	168.8	-120.4	0	0	111.4	V567 G575 M592 F599 H600	V567-E571 VanDerWaalsContact O-CB 3.23Å; V567-E571 WeakPolarHBondContact O-CB 3.26Å; V567-E571 PolarHBondContact O-N 3.36Å; E571-G575 PolarHBondContact O-N 3.07Å; E571-M592 HydrophobicContact CG-CE 4Å; E571-M592 WeakPolarHBondContact O-CE 3.39Å; E571-F599 HydrophobicContact CB-CD1 4.3Å; E571-F599 HydrophobicContact CB-CE1 3.46Å; E571-F599 VanDerWaalsContact CB-CE1 3.46Å; E571-F599 HydrophobicContact CB-CZ 3.71Å; E571-F599 HydrophobicContact CG-CD1 4.15Å; E571-F599 HydrophobicContact CG-CE1 3.69Å; E571-F599 HydrophobicContact CG-CZ 4.42Å; E571-H600 IonicContact OE1-CD2 3.46Å; E571-H600 IonicContact OE1-CE1 3.5Å; E571-H600 IonicContact OE1-NE2 3.35Å; E571-H600 PolarHBondContact OE1-NE2 3.31Å
572	L	98.1	Very high	97.6	Very high	69 Å²	69	44.2 Å²	44.2	36%	0.361	21%	0.21	S	C	.	.	H	α-helix	trans	-65.6	-43.9	178.5	-174.8	56.3	0	0	0	112	T392 V394 Q568 K569 E570 T576	T392-L572 HydrophobicContact CG2-CD2 4.15Å; T392-L572 HydrophobicContact CG2-CG 4.37Å; V394-L572 HydrophobicContact CG2-CB 4.27Å; V394-L572 HydrophobicContact CG2-CD2 4Å; V394-L572 HydrophobicContact CG2-CG 4.18Å; Q568-L572 WeakPolarHBondContact O-CB 3.37Å; Q568-L572 PolarHBondContact O-N 3.37Å; Q568-L572 VanDerWaalsContact O-N 3.08Å; K569-L572 PolarHBondContact O-N 3.44Å; E570-L572 PolarHBondContact O-N 3.45Å; L572-T576 PolarHBondContact O-N 3.29Å; L572-T576 PolarHBondContact O-OG1 3.09Å; L572-T576 VanDerWaalsContact O-OG1 3.08Å
573	F	98.2	Very high	97.6	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-74.1	-44.3	-177.8	-167.6	-114.2	0	0	0	112.7	P353 P354 I357 A389 V394 K569 E570 G575 T576 L577	P353-F573 HydrophobicContact CB-CE1 4.1Å; P354-F573 HydrophobicContact CB-CD1 3.97Å; P354-F573 HydrophobicContact CB-CE1 4.42Å; P354-F573 HydrophobicContact CG-CD1 3.97Å; P354-F573 HydrophobicContact CG-CE1 4.24Å; I357-F573 HydrophobicContact CB-CE1 4.37Å; I357-F573 HydrophobicContact CG1-CE1 3.81Å; I357-F573 HydrophobicContact CG1-CE2 4.25Å; I357-F573 HydrophobicContact CG1-CZ 3.64Å; A389-F573 HydrophobicContact CB-CD2 4.08Å; A389-F573 HydrophobicContact CB-CE2 3.84Å; V394-F573 HydrophobicContact CG1-CB 3.9Å; V394-F573 HydrophobicContact CG1-CD2 4.24Å; V394-F573 HydrophobicContact CG1-CG 4.14Å; V394-F573 HydrophobicContact CG2-CB 4.3Å; K569-F573 WeakPolarHBondContact O-CB 3.42Å; K569-F573 PolarHBondContact O-N 3.25Å; E570-F573 PolarHBondContact O-N 3.19Å; F573-G575 VanDerWaalsContact C-N 3.26Å; F573-G575 PolarHBondContact O-N 3.18Å; F573-T576 CarbonylContact O-C 3.54Å; F573-T576 WeakPolarHBondContact O-CA 3.35Å; F573-T576 WeakPolarHBondContact O-CB 3.29Å; F573-T576 PolarHBondContact O-N 2.73Å; F573-L577 HydrophobicContact CE1-CD1 4.33Å; F573-L577 HydrophobicContact CE1-CD2 4.07Å; F573-L577 HydrophobicContact CE1-CG 4.32Å; F573-L577 HydrophobicContact CZ-CD2 4.06Å; F573-L577 PolarHBondContact O-N 3.11Å
574	L	98.1	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.7	-40.3	172.6	-178.9	59.7	0	0	0	110.9	T350 E570 T576 L577 V578 M592 V594 F599	T350-L574 HydrophobicContact CG2-CD1 3.82Å; E570-L574 WeakPolarHBondContact O-CB 3.48Å; E570-L574 PolarHBondContact O-N 2.86Å; L574-T576 PolarHBondContact O-N 3.26Å; L574-L577 HydrophobicContact CD1-CD1 4.22Å; L574-L577 WeakPolarHBondContact O-CB 3.43Å; L574-L577 PolarHBondContact O-N 3.37Å; L574-L577 VanDerWaalsContact O-N 3.11Å; L574-V578 WeakPolarHBondContact O-CG2 3.41Å; L574-V578 PolarHBondContact O-N 2.9Å; L574-M592 HydrophobicContact CB-CE 3.96Å; L574-M592 HydrophobicContact CB-SD 4.46Å; L574-M592 HydrophobicContact CD2-CE 3.96Å; L574-M592 HydrophobicContact CD2-SD 4.45Å; L574-M592 HydrophobicContact CG-CE 3.94Å; L574-M592 HydrophobicContact CG-SD 4.07Å; L574-V594 HydrophobicContact CD1-CG2 3.92Å; L574-V594 HydrophobicContact CD2-CG2 4.13Å; L574-F599 HydrophobicContact CD2-CB 3.92Å; L574-F599 HydrophobicContact CD2-CD2 3.82Å; L574-F599 HydrophobicContact CD2-CG 4.08Å
575	G	98.1	Very high	97.2	Very high	14 Å²	14	36.7 Å²	36.7	14%	0.144	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-34.1	171.7	0	0	0	0	0	113	E571 F573 R579 M592	E571-G575 PolarHBondContact O-N 3.07Å; F573-G575 VanDerWaalsContact C-N 3.26Å; F573-G575 PolarHBondContact O-N 3.18Å; G575-R579 WeakPolarHBondContact O-CG 3.48Å; G575-R579 PolarHBondContact O-N 3.19Å; G575-R579 PolarHBondContact O-NH1 3.12Å; G575-M592 VanDerWaalsContact CA-SD 3.54Å
576	T	98.1	Very high	96.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-47.8	170.5	-61.3	0	0	0	0	111.5	L385 E388 L572 F573 L574 V578 R579 F580	L385-T576 HydrophobicContact CD2-CG2 3.8Å; E388-T576 HydrophobicContact CB-CG2 4.16Å; E388-T576 HydrophobicContact CG-CG2 3.52Å; L572-T576 PolarHBondContact O-N 3.29Å; L572-T576 PolarHBondContact O-OG1 3.09Å; L572-T576 VanDerWaalsContact O-OG1 3.08Å; F573-T576 CarbonylContact O-C 3.54Å; F573-T576 WeakPolarHBondContact O-CA 3.35Å; F573-T576 WeakPolarHBondContact O-CB 3.29Å; F573-T576 PolarHBondContact O-N 2.73Å; L574-T576 PolarHBondContact O-N 3.26Å; T576-V578 VanDerWaalsContact C-N 3.28Å; T576-V578 PolarHBondContact O-N 2.92Å; T576-R579 WeakPolarHBondContact O-CB 3.41Å; T576-R579 PolarHBondContact O-N 2.81Å; T576-R579 VanDerWaalsContact O-N 3.08Å; T576-R579 PolarHBondContact OG1-NH2 2.85Å; T576-F580 HydrophobicContact CG2-CD2 3.83Å; T576-F580 HydrophobicContact CG2-CE2 3.75Å; T576-F580 WeakPolarHBondContact O-CD2 3.34Å; T576-F580 PolarHBondContact O-N 3.37Å
577	L	98.1	Very high	96.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.4	-45.7	177.6	-59.5	-179.7	0	0	0	111.3	T350 P353 P354 L385 F573 L574 R579 F580 G581 I582	T350-L577 HydrophobicContact CG2-CB 4.29Å; T350-L577 HydrophobicContact CG2-CD1 4.33Å; P353-L577 HydrophobicContact CB-CD1 4.39Å; P353-L577 HydrophobicContact CB-CD2 4.32Å; P354-L577 HydrophobicContact CG-CD1 3.81Å; L385-L577 HydrophobicContact CD1-CD2 3.78Å; L385-L577 HydrophobicContact CD2-CD2 3.83Å; L385-L577 HydrophobicContact CG-CD2 4.43Å; F573-L577 HydrophobicContact CE1-CD1 4.33Å; F573-L577 HydrophobicContact CE1-CD2 4.07Å; F573-L577 HydrophobicContact CE1-CG 4.32Å; F573-L577 HydrophobicContact CZ-CD2 4.06Å; F573-L577 PolarHBondContact O-N 3.11Å; L574-L577 HydrophobicContact CD1-CD1 4.22Å; L574-L577 WeakPolarHBondContact O-CB 3.43Å; L574-L577 PolarHBondContact O-N 3.37Å; L574-L577 VanDerWaalsContact O-N 3.11Å; L577-R579 PolarHBondContact O-N 2.77Å; L577-F580 CarbonylContact O-C 3.48Å; L577-F580 WeakPolarHBondContact O-CA 3.4Å; L577-F580 PolarHBondContact O-N 3.47Å; L577-F580 VanDerWaalsContact O-N 3.08Å; L577-G581 PolarHBondContact O-N 3.43Å; L577-I582 HydrophobicContact CB-CB 4.06Å; L577-I582 HydrophobicContact CB-CD1 4.21Å; L577-I582 HydrophobicContact CB-CG2 4.35Å; L577-I582 HydrophobicContact CD2-CD1 3.63Å; L577-I582 HydrophobicContact CG-CD1 4.49Å; L577-I582 WeakPolarHBondContact O-CB 3.49Å; L577-I582 PolarHBondContact O-N 3.31Å
578	V	97.6	Very high	96.4	Very high	28 Å²	28	41.9 Å²	41.9	17%	0.17	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-43.1	176.3	176.2	0	0	0	0	111.8	L574 T576 F580 G581 L590 A591 M592	L574-V578 WeakPolarHBondContact O-CG2 3.41Å; L574-V578 PolarHBondContact O-N 2.9Å; T576-V578 VanDerWaalsContact C-N 3.28Å; T576-V578 PolarHBondContact O-N 2.92Å; V578-F580 PolarHBondContact O-N 2.86Å; V578-G581 PolarHBondContact O-N 2.94Å; V578-G581 VanDerWaalsContact O-N 3.1Å; V578-L590 HydrophobicContact CG1-CD1 4.15Å; V578-L590 HydrophobicContact CG1-CG 3.98Å; V578-L590 WeakPolarHBondContact O-CD1 3.14Å; V578-A591 WeakPolarHBondContact CG2-O 3.19Å; V578-M592 HydrophobicContact CG2-SD 4.24Å
579	R	97.1	Very high	96.3	Very high	140 Å²	140	38.5 Å²	38.5	53%	0.528	19%	0.191	S	C	.	.	H	α-helix	trans	-61	-31	174.6	-74.5	-168.5	-50.5	-86	7.1	112.5	E388 G575 T576 L577 G581	E388-R579 IonicContact OE1-NH2 3.64Å; E388-R579 PolarHBondContact OE1-NH2 3.31Å; G575-R579 WeakPolarHBondContact O-CG 3.48Å; G575-R579 PolarHBondContact O-N 3.19Å; G575-R579 PolarHBondContact O-NH1 3.12Å; T576-R579 WeakPolarHBondContact O-CB 3.41Å; T576-R579 PolarHBondContact O-N 2.81Å; T576-R579 VanDerWaalsContact O-N 3.08Å; T576-R579 PolarHBondContact OG1-NH2 2.85Å; L577-R579 PolarHBondContact O-N 2.77Å; R579-G581 VanDerWaalsContact C-N 3.28Å
580	F	96	Very high	96.2	Very high	74 Å²	74	40.3 Å²	40.3	33%	0.325	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	3.1	179.8	-81.2	-118.5	0	0	0	113	A384 L385 T576 L577 V578 I582	A384-F580 HydrophobicContact CB-CE1 3.61Å; A384-F580 HydrophobicContact CB-CZ 4.24Å; L385-F580 HydrophobicContact CD2-CB 4.17Å; L385-F580 HydrophobicContact CD2-CD1 3.78Å; L385-F580 HydrophobicContact CD2-CD2 4.22Å; L385-F580 HydrophobicContact CD2-CE1 4.19Å; L385-F580 HydrophobicContact CD2-CG 3.79Å; L385-F580 HydrophobicContact CG-CD1 4.26Å; T576-F580 HydrophobicContact CG2-CD2 3.83Å; T576-F580 HydrophobicContact CG2-CE2 3.75Å; T576-F580 WeakPolarHBondContact O-CD2 3.34Å; T576-F580 PolarHBondContact O-N 3.37Å; L577-F580 CarbonylContact O-C 3.48Å; L577-F580 WeakPolarHBondContact O-CA 3.4Å; L577-F580 PolarHBondContact O-N 3.47Å; L577-F580 VanDerWaalsContact O-N 3.08Å; V578-F580 PolarHBondContact O-N 2.86Å; F580-I582 HydrophobicContact CB-CD1 4.5Å
581	G	96.4	Very high	96.1	Very high	16 Å²	16	41.6 Å²	41.6	17%	0.165	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	5.8	175.4	0	0	0	0	0	115	L577 V578 R579 L590	L577-G581 PolarHBondContact O-N 3.43Å; V578-G581 PolarHBondContact O-N 2.94Å; V578-G581 VanDerWaalsContact O-N 3.1Å; R579-G581 VanDerWaalsContact C-N 3.28Å; G581-L590 VanDerWaalsContact C-CD1 3.48Å
582	I	97.2	Very high	96.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.211	C	C	.	.			trans	-78.1	135.6	-179.8	-59.1	170.4	0	0	0	109.3	P346 D348 E349 T350 M381 L385 L577 F580 L590	P346-I582 HydrophobicContact CG-CG1 3.64Å; D348-I582 WeakPolarHBondContact O-CG2 3.37Å; E349-I582 VanDerWaalsContact O-CG2 3.23Å; E349-I582 WeakPolarHBondContact O-CG2 3.38Å; T350-I582 HydrophobicContact CG2-CG2 3.84Å; M381-I582 HydrophobicContact CE-CD1 4.31Å; M381-I582 HydrophobicContact SD-CD1 3.82Å; M381-I582 HydrophobicContact SD-CG1 4.03Å; L385-I582 HydrophobicContact CD1-CD1 3.75Å; L385-I582 HydrophobicContact CD2-CD1 4.46Å; L577-I582 HydrophobicContact CB-CB 4.06Å; L577-I582 HydrophobicContact CB-CD1 4.21Å; L577-I582 HydrophobicContact CB-CG2 4.35Å; L577-I582 HydrophobicContact CD2-CD1 3.63Å; L577-I582 HydrophobicContact CG-CD1 4.49Å; L577-I582 WeakPolarHBondContact O-CB 3.49Å; L577-I582 PolarHBondContact O-N 3.31Å; F580-I582 HydrophobicContact CB-CD1 4.5Å; I582-L590 VanDerWaalsContact O-CD1 3.24Å; I582-L590 WeakPolarHBondContact O-CD1 3.15Å
583	R	96.2	Very high	96	Very high	57 Å²	57	38.4 Å²	38.4	22%	0.215	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-117.2	160	-166.1	-67.8	163.9	-176.3	-74.8	-8	111.4	E349 T350 G585 G588 N589 L590	E349-R583 CarbonylContact C-O 3.58Å; E349-R583 WeakPolarHBondContact CA-O 3.47Å; T350-R583 PolarHBondContact N-O 3.4Å; R583-G585 PolarHBondContact O-N 3.43Å; R583-G588 VanDerWaalsContact CD-O 3.28Å; R583-G588 WeakPolarHBondContact CD-O 3.45Å; R583-G588 WeakPolarHBondContact CG-O 3.32Å; R583-G588 PolarHBondContact NH1-O 3.16Å; R583-N589 WeakPolarHBondContact CA-O 2.91Å; R583-L590 HydrophobicContact CG-CB 4.37Å; R583-L590 HydrophobicContact CG-CD1 4.06Å
584	S	95.9	Very high	95.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.			trans	-65.1	128.9	168.5	146.9	0	0	0	0	110.6	H341 T350 K586 T587 G588 N589 E593 G596	H341-S584 PolarHBondContact NE2-O 3.3Å; T350-S584 WeakPolarHBondContact OG1-CA 3.34Å; S584-K586 VanDerWaalsContact C-N 3.26Å; S584-K586 PolarHBondContact O-N 2.87Å; S584-T587 PolarHBondContact O-N 3.41Å; S584-T587 PolarHBondContact OG-N 3.18Å; S584-T587 PolarHBondContact OG-OG1 3Å; S584-T587 VanDerWaalsContact OG-OG1 3.13Å; S584-G588 WeakPolarHBondContact O-CA 3.28Å; S584-G588 PolarHBondContact O-N 3.43Å; S584-N589 PolarHBondContact N-O 2.97Å; S584-N589 VanDerWaalsContact N-O 3.16Å; S584-E593 WeakPolarHBondContact CB-OE1 3.33Å; S584-E593 PolarHBondContact OG-OE1 2.8Å; S584-G596 PolarHBondContact OG-N 3.18Å
585	G	91	Very high	95.7	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.031	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.2	-174.7	0	0	0	0	0	114.7	T340 H341 E349 R448 R583	T340-G585 WeakPolarHBondContact OG1-CA 3.36Å; H341-G585 PolarHBondContact CE1-O 2.92Å; H341-G585 VanDerWaalsContact CE1-O 3.31Å; H341-G585 WeakPolarHBondContact NE2-CA 3.39Å; H341-G585 PolarHBondContact NE2-O 2.75Å; E349-G585 WeakPolarHBondContact OE2-CA 3.39Å; E349-G585 PolarHBondContact OE2-N 3.38Å; R448-G585 PolarHBondContact NH1-O 2.96Å; R583-G585 PolarHBondContact O-N 3.43Å
586	K	92.2	Very high	95.4	Very high	117 Å²	117	39.2 Å²	39.2	51%	0.509	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-45.6	179	-168.2	173.8	-175.4	172.1	0	112.8	S584 D595	S584-K586 VanDerWaalsContact C-N 3.26Å; S584-K586 PolarHBondContact O-N 2.87Å; K586-D595 WeakPolarHBondContact CD-O 3.44Å
587	T	93	Very high	95.4	Very high	62 Å²	62	40.5 Å²	40.5	38%	0.38	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-25.1	-171.2	67.7	0	0	0	0	113.7	S584 N589 E593	S584-T587 PolarHBondContact O-N 3.41Å; S584-T587 PolarHBondContact OG-N 3.18Å; S584-T587 PolarHBondContact OG-OG1 3Å; S584-T587 VanDerWaalsContact OG-OG1 3.13Å; T587-N589 PolarHBondContact O-N 2.94Å; T587-N589 VanDerWaalsContact OG1-CB 3.28Å; T587-N589 WeakPolarHBondContact OG1-CB 3.17Å; T587-N589 VanDerWaalsContact OG1-CG 3.3Å; T587-N589 PolarHBondContact OG1-N 3.32Å; T587-N589 PolarHBondContact OG1-ND2 2.93Å; T587-E593 WeakPolarHBondContact CB-OE1 3.45Å; T587-E593 VanDerWaalsContact CG2-OE1 3.32Å; T587-E593 WeakPolarHBondContact CG2-OE1 3.33Å; T587-E593 PolarHBondContact OG1-OE1 2.87Å
588	G	92.8	Very high	95.3	Very high	11 Å²	11	44 Å²	44	11%	0.113	24%	0.235	C	C	.	.			trans	74.5	4	-167.7	0	0	0	0	0	114.4	H341 R583 S584	H341-G588 VanDerWaalsContact CE1-CA 3.41Å; H341-G588 WeakPolarHBondContact CE1-CA 3.39Å; H341-G588 WeakPolarHBondContact NE2-CA 3.41Å; R583-G588 VanDerWaalsContact CD-O 3.28Å; R583-G588 WeakPolarHBondContact CD-O 3.45Å; R583-G588 WeakPolarHBondContact CG-O 3.32Å; R583-G588 PolarHBondContact NH1-O 3.16Å; S584-G588 WeakPolarHBondContact O-CA 3.28Å; S584-G588 PolarHBondContact O-N 3.43Å
589	N	95.3	Very high	95.4	Very high	81 Å²	81	42.8 Å²	42.8	43%	0.433	23%	0.227	S	C	.	.			trans	-69.6	139.9	-179.9	-67.5	-24.2	0	0	0	111.1	R583 S584 T587 A591 E593	R583-N589 WeakPolarHBondContact CA-O 2.91Å; S584-N589 PolarHBondContact N-O 2.97Å; S584-N589 VanDerWaalsContact N-O 3.16Å; T587-N589 PolarHBondContact O-N 2.94Å; T587-N589 VanDerWaalsContact OG1-CB 3.28Å; T587-N589 WeakPolarHBondContact OG1-CB 3.17Å; T587-N589 VanDerWaalsContact OG1-CG 3.3Å; T587-N589 PolarHBondContact OG1-N 3.32Å; T587-N589 PolarHBondContact OG1-ND2 2.93Å; N589-A591 HydrophobicContact CB-CB 4.29Å; N589-A591 PolarHBondContact O-N 2.94Å; N589-E593 PolarHBondContact ND2-OE2 3.36Å
590	L	95.6	Very high	95.4	Very high	76 Å²	76	40.7 Å²	40.7	40%	0.398	22%	0.223	S	C	.	.			trans	-91.6	76.4	168.5	-168.5	63.8	0	0	0	108.8	V578 G581 I582 R583	V578-L590 HydrophobicContact CG1-CD1 4.15Å; V578-L590 HydrophobicContact CG1-CG 3.98Å; V578-L590 WeakPolarHBondContact O-CD1 3.14Å; G581-L590 VanDerWaalsContact C-CD1 3.48Å; I582-L590 VanDerWaalsContact O-CD1 3.24Å; I582-L590 WeakPolarHBondContact O-CD1 3.15Å; R583-L590 HydrophobicContact CG-CB 4.37Å; R583-L590 HydrophobicContact CG-CD1 4.06Å
591	A	96.1	Very high	95.4	Very high	38 Å²	38	40.4 Å²	40.4	31%	0.314	23%	0.229	S	C	.	.	S	Bend	trans	-145.8	169.4	-174.1	0	0	0	0	0	110.8	V578 N589 E593	V578-A591 WeakPolarHBondContact CG2-O 3.19Å; N589-A591 HydrophobicContact CB-CB 4.29Å; N589-A591 PolarHBondContact O-N 2.94Å; A591-E593 HydrophobicContact CB-CG 4.07Å; A591-E593 PolarHBondContact O-N 2.95Å
592	M	97.2	Very high	95.4	Very high	67 Å²	67	41.5 Å²	41.5	33%	0.33	23%	0.232	S	C	.	.	S	Bend	trans	-70.3	67.6	174.7	-67.7	-62.7	-68.3	0	0	110.8	E571 L574 G575 V578 F599	E571-M592 HydrophobicContact CG-CE 4Å; E571-M592 WeakPolarHBondContact O-CE 3.39Å; L574-M592 HydrophobicContact CB-CE 3.96Å; L574-M592 HydrophobicContact CB-SD 4.46Å; L574-M592 HydrophobicContact CD2-CE 3.96Å; L574-M592 HydrophobicContact CD2-SD 4.45Å; L574-M592 HydrophobicContact CG-CE 3.94Å; L574-M592 HydrophobicContact CG-SD 4.07Å; G575-M592 VanDerWaalsContact CA-SD 3.54Å; V578-M592 HydrophobicContact CG2-SD 4.24Å; M592-F599 HydrophobicContact CB-CB 4.12Å; M592-F599 HydrophobicContact CE-CB 4.47Å; M592-F599 HydrophobicContact CE-CD1 4.28Å; M592-F599 HydrophobicContact CE-CG 4.29Å; M592-F599 WeakPolarHBondContact O-CB 3.23Å; M592-F599 PolarHBondContact O-N 2.98Å
593	E	96.1	Very high	95.4	Very high	17 Å²	17	41.5 Å²	41.5	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.2	179.8	55.7	166.1	-101.4	0	0	111.7	T350 S584 T587 N589 A591 L597	T350-E593 PolarHBondContact OG1-O 3.27Å; S584-E593 WeakPolarHBondContact CB-OE1 3.33Å; S584-E593 PolarHBondContact OG-OE1 2.8Å; T587-E593 WeakPolarHBondContact CB-OE1 3.45Å; T587-E593 VanDerWaalsContact CG2-OE1 3.32Å; T587-E593 WeakPolarHBondContact CG2-OE1 3.33Å; T587-E593 PolarHBondContact OG1-OE1 2.87Å; N589-E593 PolarHBondContact ND2-OE2 3.36Å; A591-E593 HydrophobicContact CB-CG 4.07Å; A591-E593 PolarHBondContact O-N 2.95Å; E593-L597 WeakPolarHBondContact CA-O 3.37Å; E593-L597 WeakPolarHBondContact CB-O 3.33Å
594	V	96.4	Very high	95.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.7	171.9	-177.2	0	0	0	0	106.1	T350 D351 V517 L574 G596 L597	T350-V594 WeakPolarHBondContact OG1-CA 3.48Å; D351-V594 HydrophobicContact CB-CG1 3.51Å; V517-V594 HydrophobicContact CG1-CG1 3.73Å; L574-V594 HydrophobicContact CD1-CG2 3.92Å; L574-V594 HydrophobicContact CD2-CG2 4.13Å; V594-G596 PolarHBondContact O-N 3.02Å; V594-L597 PolarHBondContact N-O 3.46Å; V594-L597 WeakPolarHBondContact O-CB 3.44Å; V594-L597 PolarHBondContact O-N 3.34Å
595	D	92.5	Very high	95.6	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.032	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	28.1	177.2	-77.8	-47.4	0	0	0	116.7	R308 D351 V517 K586 L597	R308-D595 IonicContact CZ-OD1 2.77Å; R308-D595 IonicContact NH1-OD1 2.78Å; R308-D595 PolarHBondContact NH1-OD1 3.23Å; R308-D595 IonicContact NH1-OD2 2.81Å; R308-D595 IonicContact NH2-OD1 3.86Å; R308-D595 PolarHBondContact NH2-OD1 2.93Å; R308-D595 IonicContact NH2-OD2 3.19Å; D351-D595 WeakPolarHBondContact CB-OD2 3.33Å; V517-D595 HydrophobicContact CG2-CB 4.41Å; K586-D595 WeakPolarHBondContact CD-O 3.44Å; D595-L597 VanDerWaalsContact C-N 3.25Å; D595-L597 PolarHBondContact O-N 3.25Å
596	G	93.7	Very high	96	Very high	29 Å²	29	44.9 Å²	44.9	30%	0.299	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	13.7	-176.2	0	0	0	0	0	114.2	S584 V594	S584-G596 PolarHBondContact OG-N 3.18Å; V594-G596 PolarHBondContact O-N 3.02Å
597	L	96.6	Very high	96.3	Very high	28 Å²	28	39.3 Å²	39.3	15%	0.147	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.9	174.7	-58.5	171.3	0	0	0	109.2	P305 V517 W520 E593 V594 D595 T602 H603	P305-L597 HydrophobicContact CB-CD2 4.35Å; P305-L597 HydrophobicContact CG-CD1 3.78Å; P305-L597 HydrophobicContact CG-CD2 4.37Å; V517-L597 HydrophobicContact CG2-CD1 4.06Å; W520-L597 HydrophobicContact CH2-CD1 4.09Å; W520-L597 HydrophobicContact CZ2-CD1 4.26Å; E593-L597 WeakPolarHBondContact CA-O 3.37Å; E593-L597 WeakPolarHBondContact CB-O 3.33Å; V594-L597 PolarHBondContact N-O 3.46Å; V594-L597 WeakPolarHBondContact O-CB 3.44Å; V594-L597 PolarHBondContact O-N 3.34Å; D595-L597 VanDerWaalsContact C-N 3.25Å; D595-L597 PolarHBondContact O-N 3.25Å; L597-T602 HydrophobicContact CB-CG2 4.16Å; L597-T602 HydrophobicContact CD1-CG2 4.2Å; L597-H603 WeakPolarHBondContact CB-NE2 3.31Å; L597-H603 PolarHBondContact O-NE2 2.78Å
598	T	97.2	Very high	96.5	Very high	74 Å²	74	39.2 Å²	39.2	45%	0.454	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	142.1	-179.5	56.2	0	0	0	0	111.3	H600 T602 H603	T598-H600 VanDerWaalsContact CB-O 3.31Å; T598-H600 WeakPolarHBondContact CB-O 3.32Å; T598-H600 PolarHBondContact O-N 2.52Å; T598-H600 PolarHBondContact OG1-O 2.81Å; T598-T602 VanDerWaalsContact O-CB 3.31Å; T598-T602 WeakPolarHBondContact O-CB 3.49Å; T598-T602 PolarHBondContact O-N 2.77Å; T598-T602 PolarHBondContact O-OG1 3.33Å; T598-H603 PolarHBondContact O-CD2 2.86Å
599	F	97.9	Very high	96.8	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	24%	0.24	C	C	.	.	I	π-helix	trans	-53.6	-51.8	179.1	179.3	-109.3	0	0	0	111.9	V567 E570 E571 L574 M592 P601 T602 H603 S604	V567-F599 HydrophobicContact CG1-CE1 4.14Å; V567-F599 HydrophobicContact CG1-CZ 3.96Å; E570-F599 HydrophobicContact CB-CE2 3.96Å; E570-F599 HydrophobicContact CB-CZ 4.18Å; E570-F599 HydrophobicContact CG-CD2 4.3Å; E570-F599 HydrophobicContact CG-CE2 3.44Å; E570-F599 VanDerWaalsContact CG-CE2 3.44Å; E570-F599 HydrophobicContact CG-CZ 4.17Å; E571-F599 HydrophobicContact CB-CD1 4.3Å; E571-F599 HydrophobicContact CB-CE1 3.46Å; E571-F599 VanDerWaalsContact CB-CE1 3.46Å; E571-F599 HydrophobicContact CB-CZ 3.71Å; E571-F599 HydrophobicContact CG-CD1 4.15Å; E571-F599 HydrophobicContact CG-CE1 3.69Å; E571-F599 HydrophobicContact CG-CZ 4.42Å; L574-F599 HydrophobicContact CD2-CB 3.92Å; L574-F599 HydrophobicContact CD2-CD2 3.82Å; L574-F599 HydrophobicContact CD2-CG 4.08Å; M592-F599 HydrophobicContact CB-CB 4.12Å; M592-F599 HydrophobicContact CE-CB 4.47Å; M592-F599 HydrophobicContact CE-CD1 4.28Å; M592-F599 HydrophobicContact CE-CG 4.29Å; M592-F599 WeakPolarHBondContact O-CB 3.23Å; M592-F599 PolarHBondContact O-N 2.98Å; F599-P601 CarbonylContact O-C 3.42Å; F599-T602 PolarHBondContact O-N 3.18Å; F599-H603 HydrophobicContact CD2-CB 3.73Å; F599-H603 HydrophobicContact CE2-CB 4.02Å; F599-H603 PolarHBondContact O-N 3.44Å; F599-S604 PolarHBondContact O-N 2.97Å
600	H	97.1	Very high	97	Very high	95 Å²	95	39.4 Å²	39.4	44%	0.44	22%	0.22	S	C	.	.	I	π-helix	trans	-99.1	136	167	-68.8	-71.5	0	0	0	110.8	E571 T598 S604	E571-H600 IonicContact OE1-CD2 3.46Å; E571-H600 IonicContact OE1-CE1 3.5Å; E571-H600 IonicContact OE1-NE2 3.35Å; E571-H600 PolarHBondContact OE1-NE2 3.31Å; T598-H600 VanDerWaalsContact CB-O 3.31Å; T598-H600 WeakPolarHBondContact CB-O 3.32Å; T598-H600 PolarHBondContact O-N 2.52Å; T598-H600 PolarHBondContact OG1-O 2.81Å; H600-S604 WeakPolarHBondContact ND1-CB 3.15Å; H600-S604 PolarHBondContact ND1-OG 3.15Å
601	P	96.1	Very high	97.1	Very high	69 Å²	69	37.5 Å²	37.5	45%	0.448	21%	0.21	S	C	.	.	I	π-helix	cis	-84.7	-9.4	-6.2	34.3	-34.5	0	0	0	113.9	F599 S604 Q605	F599-P601 CarbonylContact O-C 3.42Å; P601-S604 PolarHBondContact O-OG 3.44Å; P601-S604 VanDerWaalsContact O-OG 3.11Å; P601-Q605 HydrophobicContact CB-CG 4.15Å; P601-Q605 WeakPolarHBondContact O-CB 3.3Å; P601-Q605 WeakPolarHBondContact O-CG 3.33Å; P601-Q605 PolarHBondContact O-N 3.06Å
602	T	97.4	Very high	97.2	Very high	38 Å²	38	40.3 Å²	40.3	23%	0.233	22%	0.216	C	C	.	.	I	π-helix	trans	-64.1	-59.1	-159.5	-48	0	0	0	0	113.9	P305 W520 L597 T598 F599 M606	P305-T602 HydrophobicContact CG-CG2 4.34Å; W520-T602 HydrophobicContact CH2-CG2 4.45Å; W520-T602 HydrophobicContact CZ2-CG2 4.14Å; L597-T602 HydrophobicContact CB-CG2 4.16Å; L597-T602 HydrophobicContact CD1-CG2 4.2Å; T598-T602 VanDerWaalsContact O-CB 3.31Å; T598-T602 WeakPolarHBondContact O-CB 3.49Å; T598-T602 PolarHBondContact O-N 2.77Å; T598-T602 PolarHBondContact O-OG1 3.33Å; F599-T602 PolarHBondContact O-N 3.18Å; T602-M606 PolarHBondContact O-N 3.08Å; T602-M606 VanDerWaalsContact O-N 3.1Å
603	H	98	Very high	97.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.207	C	C	.	.	I	π-helix	trans	-72.5	-35.5	-177.4	-62.7	-89.9	0	0	0	111.3	W520 L597 T598 F599 M606 I607	W520-H603 AromaticContact CE2-CE1 3.97Å; W520-H603 AromaticContact CE2-ND1 3.75Å; W520-H603 AromaticContact CZ2-CE1 3.82Å; W520-H603 AromaticContact CZ2-ND1 3.94Å; W520-H603 AromaticContact NE1-CE1 3.63Å; W520-H603 AromaticContact NE1-CG 3.91Å; W520-H603 AromaticContact NE1-ND1 3Å; W520-H603 PolarHBondContact NE1-ND1 3.28Å; L597-H603 WeakPolarHBondContact CB-NE2 3.31Å; L597-H603 PolarHBondContact O-NE2 2.78Å; T598-H603 PolarHBondContact O-CD2 2.86Å; F599-H603 HydrophobicContact CD2-CB 3.73Å; F599-H603 HydrophobicContact CE2-CB 4.02Å; F599-H603 PolarHBondContact O-N 3.44Å; H603-M606 WeakPolarHBondContact O-CB 3.28Å; H603-M606 PolarHBondContact O-N 2.84Å; H603-I607 WeakPolarHBondContact O-CG1 3.37Å; H603-I607 PolarHBondContact O-N 3.02Å
604	S	98.3	Very high	97.3	Very high	10 Å²	10	37.7 Å²	37.7	7%	0.07	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-39.4	178.1	63.3	0	0	0	0	112.9	V567 F599 H600 P601 S608	V567-S604 WeakPolarHBondContact CG2-O 3.48Å; F599-S604 PolarHBondContact O-N 2.97Å; H600-S604 WeakPolarHBondContact ND1-CB 3.15Å; H600-S604 PolarHBondContact ND1-OG 3.15Å; P601-S604 PolarHBondContact O-OG 3.44Å; P601-S604 VanDerWaalsContact O-OG 3.11Å; S604-S608 PolarHBondContact O-N 3.45Å; S604-S608 VanDerWaalsContact O-N 3.14Å; S604-S608 PolarHBondContact O-OG 3.36Å
605	Q	98.1	Very high	97.2	Very high	114 Å²	114	41 Å²	41	53%	0.533	22%	0.221	S	C	.	.	H	α-helix	trans	-67	-38.3	171.9	-74.9	179.4	-1.5	0	0	112.2	P601 S608 R609	P601-Q605 HydrophobicContact CB-CG 4.15Å; P601-Q605 WeakPolarHBondContact O-CB 3.3Å; P601-Q605 WeakPolarHBondContact O-CG 3.33Å; P601-Q605 PolarHBondContact O-N 3.06Å; Q605-S608 PolarHBondContact O-N 2.89Å; Q605-R609 WeakPolarHBondContact O-CG 3.49Å; Q605-R609 PolarHBondContact O-N 2.89Å
606	M	98.4	Very high	96.8	Very high	7 Å²	7	42 Å²	42	3%	0.034	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-50.5	175.6	-177.7	55.9	79.7	0	0	111.4	I300 D303 W520 T602 H603 S608 R609 L610	I300-M606 HydrophobicContact CG2-CE 4.23Å; I300-M606 HydrophobicContact CG2-SD 3.37Å; I300-M606 WeakPolarHBondContact CG2-SD 3.24Å; I300-M606 VanDerWaalsContact O-CE 3.32Å; I300-M606 WeakPolarHBondContact O-CE 3.3Å; D303-M606 HydrophobicContact CB-CE 4.12Å; W520-M606 HydrophobicContact CB-CG 4.17Å; W520-M606 HydrophobicContact CD2-CB 4.49Å; W520-M606 HydrophobicContact CD2-CE 3.79Å; W520-M606 HydrophobicContact CD2-CG 3.73Å; W520-M606 HydrophobicContact CD2-SD 4.43Å; W520-M606 HydrophobicContact CE3-CE 3.48Å; W520-M606 VanDerWaalsContact CE3-CE 3.48Å; W520-M606 HydrophobicContact CE3-CG 4.41Å; W520-M606 HydrophobicContact CG-CE 4.49Å; W520-M606 HydrophobicContact CG-CG 3.61Å; W520-M606 HydrophobicContact CH2-CE 4.17Å; W520-M606 HydrophobicContact CZ2-CE 4.43Å; W520-M606 HydrophobicContact CZ3-CE 3.68Å; T602-M606 PolarHBondContact O-N 3.08Å; T602-M606 VanDerWaalsContact O-N 3.1Å; H603-M606 WeakPolarHBondContact O-CB 3.28Å; H603-M606 PolarHBondContact O-N 2.84Å; M606-S608 VanDerWaalsContact C-N 3.28Å; M606-S608 PolarHBondContact O-N 2.91Å; M606-R609 PolarHBondContact O-N 3.4Å; M606-L610 HydrophobicContact CG-CD1 4.39Å; M606-L610 WeakPolarHBondContact O-CG 3.49Å; M606-L610 PolarHBondContact O-N 3.23Å; M606-L610 HydrophobicContact SD-CG 4.39Å
607	I	98.6	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.8	-43.8	176.7	-66.9	164.6	0	0	0	110.8	Y523 V567 E570 H603 R609 L610 L611	Y523-I607 HydrophobicContact CD2-CG1 3.82Å; Y523-I607 HydrophobicContact CE2-CD1 4.11Å; Y523-I607 HydrophobicContact CE2-CG1 3.87Å; V567-I607 HydrophobicContact CG2-CB 4.27Å; V567-I607 HydrophobicContact CG2-CG2 4.22Å; E570-I607 HydrophobicContact CB-CD1 3.55Å; E570-I607 HydrophobicContact CG-CD1 3.77Å; H603-I607 WeakPolarHBondContact O-CG1 3.37Å; H603-I607 PolarHBondContact O-N 3.02Å; I607-R609 PolarHBondContact O-N 3.1Å; I607-L610 PolarHBondContact O-N 3.2Å; I607-L611 HydrophobicContact CG2-CD1 3.96Å; I607-L611 HydrophobicContact CG2-CG 4.36Å; I607-L611 WeakPolarHBondContact O-CG 3.34Å; I607-L611 PolarHBondContact O-N 3Å
608	S	98.1	Very high	92.6	Very high	61 Å²	61	48.7 Å²	48.7	43%	0.427	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-42.3	-179.3	-58.3	0	0	0	0	112.2	S604 Q605 M606 L611 E612	S604-S608 PolarHBondContact O-N 3.45Å; S604-S608 VanDerWaalsContact O-N 3.14Å; S604-S608 PolarHBondContact O-OG 3.36Å; Q605-S608 PolarHBondContact O-N 2.89Å; M606-S608 VanDerWaalsContact C-N 3.28Å; M606-S608 PolarHBondContact O-N 2.91Å; S608-L611 PolarHBondContact O-N 3.08Å; S608-E612 PolarHBondContact O-N 3.39Å
609	R	98.2	Very high	89.7	Confident	95 Å²	95	48.5 Å²	48.5	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-42.6	176.1	-72	168.9	63	-159.1	-0.8	112.2	I300 D303 Q605 M606 I607 L611 E612 I613	I300-R609 HydrophobicContact CG2-CB 4.38Å; D303-R609 IonicContact OD2-CZ 3.45Å; D303-R609 IonicContact OD2-NH1 3.32Å; D303-R609 PolarHBondContact OD2-NH1 3.27Å; D303-R609 IonicContact OD2-NH2 3.8Å; D303-R609 PolarHBondContact OD2-NH2 3.2Å; Q605-R609 WeakPolarHBondContact O-CG 3.49Å; Q605-R609 PolarHBondContact O-N 2.89Å; M606-R609 PolarHBondContact O-N 3.4Å; I607-R609 PolarHBondContact O-N 3.1Å; R609-L611 VanDerWaalsContact C-N 3.33Å; R609-L611 PolarHBondContact O-N 3.03Å; R609-E612 PolarHBondContact O-N 2.96Å; R609-I613 PolarHBondContact O-N 3.32Å
610	L	98.6	Very high	86.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-41.4	176	-65	175.4	0	0	0	111.4	L297 I300 I301 Y523 A524 M606 I607 I613 T614	L297-L610 HydrophobicContact CB-CD2 4.26Å; L297-L610 HydrophobicContact CD2-CB 4.19Å; L297-L610 HydrophobicContact CD2-CD2 3.66Å; I300-L610 HydrophobicContact CB-CD2 4.14Å; I300-L610 HydrophobicContact CG2-CD2 3.7Å; I300-L610 HydrophobicContact CG2-CG 4.32Å; I301-L610 HydrophobicContact CG2-CD1 4.27Å; I301-L610 HydrophobicContact CG2-CD2 3.88Å; Y523-L610 HydrophobicContact CD2-CD1 4.45Å; A524-L610 HydrophobicContact CB-CD1 4.49Å; A524-L610 HydrophobicContact CB-CD2 4.34Å; M606-L610 HydrophobicContact CG-CD1 4.39Å; M606-L610 WeakPolarHBondContact O-CG 3.49Å; M606-L610 PolarHBondContact O-N 3.23Å; M606-L610 HydrophobicContact SD-CG 4.39Å; I607-L610 PolarHBondContact O-N 3.2Å; L610-I613 PolarHBondContact O-N 3.08Å; L610-T614 WeakPolarHBondContact O-CB 3.49Å; L610-T614 PolarHBondContact O-N 2.99Å; L610-T614 VanDerWaalsContact O-N 3.12Å; L610-T614 PolarHBondContact O-OG1 3.48Å
611	L	98.3	Very high	83.8	Confident	36 Å²	36	58 Å²	58	19%	0.188	34%	0.336	C	S	.	.	H	α-helix	trans	-66.8	-36.3	177.4	-72.5	176	0	0	0	112.8	L564 P565 I607 S608 R609 I613 T614 L615	L564-L611 HydrophobicContact CB-CD2 4.02Å; L564-L611 HydrophobicContact CD1-CD2 4.07Å; P565-L611 WeakPolarHBondContact O-CD1 3.45Å; I607-L611 HydrophobicContact CG2-CD1 3.96Å; I607-L611 HydrophobicContact CG2-CG 4.36Å; I607-L611 WeakPolarHBondContact O-CG 3.34Å; I607-L611 PolarHBondContact O-N 3Å; S608-L611 PolarHBondContact O-N 3.08Å; R609-L611 VanDerWaalsContact C-N 3.33Å; R609-L611 PolarHBondContact O-N 3.03Å; L611-I613 VanDerWaalsContact C-N 3.34Å; L611-I613 PolarHBondContact O-N 2.99Å; L611-T614 PolarHBondContact O-N 2.81Å; L611-L615 HydrophobicContact CD2-CD1 4.42Å; L611-L615 WeakPolarHBondContact O-CB 3.3Å; L611-L615 PolarHBondContact O-N 3.08Å
612	E	97.6	Very high	80.6	Confident	98 Å²	98	65.3 Å²	65.3	46%	0.458	35%	0.354	S	S	.	.	H	α-helix	trans	-59.4	-44.2	176.3	-177	173.9	-165.1	0	0	111.8	S608 R609 T614 G616 S617	S608-E612 PolarHBondContact O-N 3.39Å; R609-E612 PolarHBondContact O-N 2.96Å; E612-T614 VanDerWaalsContact C-N 3.34Å; E612-G616 CarbonylContact O-C 3.59Å; E612-G616 WeakPolarHBondContact O-CA 3.35Å; E612-G616 PolarHBondContact O-N 2.69Å; E612-S617 PolarHBondContact OE1-OG 3.32Å
613	I	97.9	Very high	77.6	Confident	24 Å²	24	69.2 Å²	69.2	12%	0.123	38%	0.381	C	S	.	.	H	α-helix	trans	-66.9	-39.9	176.4	-57.6	-42.1	0	0	0	111.3	K293 Q296 L297 I300 R609 L610 L611	K293-I613 HydrophobicContact CB-CG2 4.08Å; K293-I613 HydrophobicContact CG-CG2 4.26Å; K293-I613 PolarHBondContact NZ-O 3.11Å; Q296-I613 HydrophobicContact CB-CG2 4.23Å; Q296-I613 HydrophobicContact CG-CD1 4.23Å; Q296-I613 HydrophobicContact CG-CG1 4.12Å; Q296-I613 HydrophobicContact CG-CG2 4.33Å; L297-I613 HydrophobicContact CD2-CB 3.87Å; L297-I613 HydrophobicContact CD2-CG1 4.5Å; L297-I613 HydrophobicContact CD2-CG2 3.98Å; L297-I613 HydrophobicContact CG-CG2 4.31Å; I300-I613 HydrophobicContact CD1-CD1 4.46Å; I300-I613 HydrophobicContact CD1-CG1 3.66Å; R609-I613 PolarHBondContact O-N 3.32Å; L610-I613 PolarHBondContact O-N 3.08Å; L611-I613 VanDerWaalsContact C-N 3.34Å; L611-I613 PolarHBondContact O-N 2.99Å
614	T	97.6	Very high	74.4	Confident	4 Å²	4	74.9 Å²	74.9	3%	0.025	42%	0.415	C	S	.	.	H	α-helix	trans	-68.6	-49.3	-174.8	-58.4	0	0	0	0	111.9	C527 Y530 L531 L564 L610 L611 E612	C527-T614 HydrophobicContact CB-CG2 4.19Å; C527-T614 VanDerWaalsContact CB-OG1 3.26Å; C527-T614 WeakPolarHBondContact CB-OG1 3.33Å; C527-T614 PolarHBondContact SG-OG1 2.99Å; C527-T614 VanDerWaalsContact SG-OG1 3.39Å; Y530-T614 HydrophobicContact CD1-CG2 3.47Å; Y530-T614 VanDerWaalsContact CD1-CG2 3.47Å; Y530-T614 HydrophobicContact CE1-CG2 4.07Å; Y530-T614 HydrophobicContact CG-CG2 4.23Å; L531-T614 HydrophobicContact CD2-CG2 4.47Å; L531-T614 HydrophobicContact CG-CG2 4.27Å; L564-T614 HydrophobicContact CD1-CG2 4.12Å; L564-T614 HydrophobicContact CD2-CG2 4.17Å; L610-T614 WeakPolarHBondContact O-CB 3.49Å; L610-T614 PolarHBondContact O-N 2.99Å; L610-T614 VanDerWaalsContact O-N 3.12Å; L610-T614 PolarHBondContact O-OG1 3.48Å; L611-T614 PolarHBondContact O-N 2.81Å; E612-T614 VanDerWaalsContact C-N 3.34Å
615	L	94.9	Very high	71.1	Confident	70 Å²	70	79 Å²	79	37%	0.366	44%	0.444	S	S	.	.	H	α-helix	trans	-96.2	-14.5	-173.7	-61	175.7	0	0	0	113.4	Y530 R561 L564 L611	Y530-L615 HydrophobicContact CE1-CD2 3.96Å; R561-L615 HydrophobicContact CG-CD2 4.16Å; L564-L615 HydrophobicContact CD1-CD1 4.38Å; L564-L615 HydrophobicContact CD1-CD2 3.86Å; L564-L615 HydrophobicContact CD1-CG 4.27Å; L611-L615 HydrophobicContact CD2-CD1 4.42Å; L611-L615 WeakPolarHBondContact O-CB 3.3Å; L611-L615 PolarHBondContact O-N 3.08Å
616	G	85.3	Confident	68.1	Low	27 Å²	27	82 Å²	82	28%	0.278	46%	0.458	S	S	.	.			trans	80.9	156.8	-170.1	0	0	0	0	0	112.1	E612	E612-G616 CarbonylContact O-C 3.59Å; E612-G616 WeakPolarHBondContact O-CA 3.35Å; E612-G616 PolarHBondContact O-N 2.69Å
617	S	57.8	Low	64.9	Low	52 Å²	52	92.4 Å²	92.4	36%	0.364	51%	0.513	S	S	.	.			trans	-63.6	143.7	176.3	-48.7	0	0	0	0	110.2	E612 G619 Q620	E612-S617 PolarHBondContact OE1-OG 3.32Å; S617-G619 PolarHBondContact O-N 2.91Å; S617-Q620 PolarHBondContact O-N 3.25Å
618	P	43.9	Very low	63.2	Low	145 Å²	145	97 Å²	97	94%	0.942	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	5.4	-174.7	-25.2	32.7	0	0	0	117.9
619	G	36.6	Very low	61.4	Low	70 Å²	70	98.9 Å²	98.9	72%	0.722	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-5.6	-177.6	0	0	0	0	0	116.5	S617	S617-G619 PolarHBondContact O-N 2.91Å
620	Q	36.1	Very low	59.3	Low	162 Å²	162	99.1 Å²	99.1	76%	0.757	56%	0.555	S	S	*	*	S	Bend	trans	-99.1	-9.3	-173.6	-73.8	-175.7	-7.4	0	0	115.3	S617 R622	S617-Q620 PolarHBondContact O-N 3.25Å; Q620-R622 PolarHBondContact O-N 3.03Å
621	N	34.3	Very low	57	Low	134 Å²	134	104.9 Å²	104.9	72%	0.717	59%	0.587	S	S	*	*			trans	-95.7	60.7	176.6	-75.8	-23.7	0	0	0	111.9
622	R	28.7	Very low	54.5	Low	223 Å²	223	109.3 Å²	109.3	84%	0.842	61%	0.612	S	S	*	*			trans	-87.7	126	153.4	-79.8	-171.9	-180	-177.3	0.9	107.2	Q620 V624	Q620-R622 PolarHBondContact O-N 3.03Å; R622-V624 PolarHBondContact O-N 3.34Å
623	P	33.8	Very low	51.6	Low	121 Å²	121	110 Å²	110	79%	0.786	62%	0.623	S	S	*	*			trans	-59.6	127.6	170.5	25.1	-29.8	0	0	0	107.5	S625	P623-S625 PolarHBondContact O-N 2.99Å
624	V	32.2	Very low	48.3	Very low	120 Å²	120	116.1 Å²	116.1	73%	0.727	66%	0.658	S	S	*	*			trans	-61	107	164.2	179.5	0	0	0	0	105.2	R622 H626	R622-V624 PolarHBondContact O-N 3.34Å; V624-H626 PolarHBondContact O-N 2.68Å; V624-H626 VanDerWaalsContact O-N 3.12Å
625	S	28.1	Very low	44.5	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	71%	0.707	S	S	*	*			trans	-62.2	110.7	168.1	48.8	0	0	0	0	107	P623 D627	P623-S625 PolarHBondContact O-N 2.99Å; S625-D627 VanDerWaalsContact C-N 3.34Å; S625-D627 PolarHBondContact O-N 2.69Å
626	H	35.3	Very low	40.3	Very low	178 Å²	178	129.3 Å²	129.3	82%	0.824	74%	0.736	S	S	*	*			trans	-75.3	95.9	160.3	-74	-64.2	0	0	0	106.8	V624	V624-H626 PolarHBondContact O-N 2.68Å; V624-H626 VanDerWaalsContact O-N 3.12Å
627	D	31.1	Very low	36.2	Very low	224 Å²	224	138.6 Å²	138.6	100%	1.198	78%	0.777	S	S	*	*			trans	-75.6	0	152.8	-86.9	-19.4	0	0	0	109.6	S625	S625-D627 VanDerWaalsContact C-N 3.34Å; S625-D627 PolarHBondContact O-N 2.69Å

Retrieved 627 of 627 residues in 551.8 ms (Link to these results)

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