A0A077ZD58_TRITR Loading...

proline--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077ZD58, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 424 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	34.4	Very low	69.2	Low	240 Å²	240	100 Å²	100	100%	1.182	56%	0.558	S	S	*	*				0	114.3	0	-65.6	176.8	-138.7	0	0	106.7	Q3	M1-Q3 PolarHBondContact O-N 3.02Å; M1-Q3 VanDerWaalsContact O-N 3.11Å
2	S	40.1	Very low	71.2	Confident	116 Å²	116	94.1 Å²	94.1	81%	0.811	53%	0.526	S	S	*	.			trans	-56.6	121.2	172.2	136.9	0	0	0	0	106.7	S4	S2-S4 PolarHBondContact O-N 2.89Å
3	Q	41.6	Very low	72.8	Confident	185 Å²	185	97.6 Å²	97.6	86%	0.864	53%	0.533	S	S	*	.			trans	-54.2	113.9	160.3	-73.6	177.9	-1.8	0	0	104.6	M1 S5	M1-Q3 PolarHBondContact O-N 3.02Å; M1-Q3 VanDerWaalsContact O-N 3.11Å; Q3-S5 PolarHBondContact O-N 3.03Å
4	S	51	Low	73.8	Confident	65 Å²	65	93.1 Å²	93.1	46%	0.455	51%	0.507	S	S	.	.			trans	-52.3	109.2	168.5	164.1	0	0	0	0	105.4	S2 C6	S2-S4 PolarHBondContact O-N 2.89Å; S4-C6 PolarHBondContact O-N 2.81Å
5	S	64.1	Low	74	Confident	110 Å²	110	89.7 Å²	89.7	77%	0.769	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-59.3	116.2	178	48.9	0	0	0	0	107.4	Q3 A7	Q3-S5 PolarHBondContact O-N 3.03Å; S5-A7 PolarHBondContact O-N 3.34Å
6	C	73.9	Confident	73.3	Confident	58 Å²	58	88.5 Å²	88.5	39%	0.392	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-61.9	127.5	173.7	-70.8	0	0	0	0	108.3	S4 F8 Y361	S4-C6 PolarHBondContact O-N 2.81Å; C6-F8 HydrophobicContact CB-CE2 3.97Å; C6-F8 HydrophobicContact CB-CZ 3.95Å; C6-F8 WeakPolarHBondContact O-CD2 3.4Å; C6-Y361 HydrophobicContact CB-CD2 4.02Å; C6-Y361 HydrophobicContact CB-CE2 3.88Å
7	A	88.9	Confident	72.4	Confident	22 Å²	22	87.2 Å²	87.2	18%	0.182	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128	172	0	0	0	0	0	109.2	S5 Y336 I360 Y361	S5-A7 PolarHBondContact O-N 3.34Å; A7-Y336 HydrophobicContact CB-CE1 3.73Å; A7-Y336 WeakPolarHBondContact CB-OH 3.22Å; A7-I360 HydrophobicContact CB-CB 4.45Å; A7-I360 HydrophobicContact CB-CG1 4.28Å; A7-I360 CarbonylContact O-C 3.57Å; A7-I360 WeakPolarHBondContact O-CA 3.42Å; A7-Y361 PolarHBondContact O-N 3.18Å
8	F	91.7	Very high	71.1	Confident	71 Å²	71	88.9 Å²	88.9	31%	0.311	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.8	177.4	-66.7	-74.1	0	0	0	109.9	C6 S10 K11 V12 Y361 D363	C6-F8 HydrophobicContact CB-CE2 3.97Å; C6-F8 HydrophobicContact CB-CZ 3.95Å; C6-F8 WeakPolarHBondContact O-CD2 3.4Å; F8-S10 VanDerWaalsContact C-N 3.26Å; F8-S10 PolarHBondContact O-N 2.68Å; F8-K11 HydrophobicContact CB-CB 4.49Å; F8-K11 HydrophobicContact CB-CG 4.02Å; F8-K11 WeakPolarHBondContact O-CB 3.37Å; F8-K11 PolarHBondContact O-N 3.25Å; F8-V12 PolarHBondContact O-N 2.9Å; F8-Y361 HydrophobicContact CE1-CG 4.4Å; F8-D363 HydrophobicContact CD1-CB 3.95Å
9	L	92.3	Very high	70	Confident	7 Å²	7	93.3 Å²	93.3	4%	0.037	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	-65.2	-30.5	-177.2	-171.7	58.3	0	0	0	112	K11 V12 I360 Y361 D362 D363 R364	L9-K11 PolarHBondContact O-N 2.78Å; L9-V12 HydrophobicContact CD1-CB 4.35Å; L9-V12 PolarHBondContact O-N 2.9Å; L9-V12 VanDerWaalsContact O-N 3.17Å; L9-I360 HydrophobicContact CB-CD1 4.06Å; L9-I360 HydrophobicContact CB-CG1 4.19Å; L9-I360 HydrophobicContact CD1-CD1 3.73Å; L9-I360 HydrophobicContact CG-CD1 4.47Å; L9-Y361 WeakPolarHBondContact CB-O 3.34Å; L9-Y361 PolarHBondContact N-O 3.18Å; L9-D362 HydrophobicContact CD2-CB 4.13Å; L9-D363 PolarHBondContact N-OD1 3.38Å; L9-R364 VanDerWaalsContact CD2-NH2 3.28Å
10	S	91.6	Very high	69	Low	58 Å²	58	91.2 Å²	91.2	41%	0.406	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-62.2	-19.6	172.8	74	0	0	0	0	114.1	F8 D363	F8-S10 VanDerWaalsContact C-N 3.26Å; F8-S10 PolarHBondContact O-N 2.68Å; S10-D363 VanDerWaalsContact CB-OD1 3.26Å; S10-D363 WeakPolarHBondContact CB-OD1 3.37Å; S10-D363 VanDerWaalsContact CB-OD2 3.23Å; S10-D363 WeakPolarHBondContact CB-OD2 3.26Å; S10-D363 PolarHBondContact N-OD1 2.95Å; S10-D363 VanDerWaalsContact OG-CG 3.25Å; S10-D363 PolarHBondContact OG-OD1 2.93Å; S10-D363 PolarHBondContact OG-OD2 3.17Å
11	K	92.1	Very high	68	Low	168 Å²	168	89.3 Å²	89.3	73%	0.73	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-98.4	-7.8	179.6	-56	-57.7	-178.6	-177.3	0	113	F8 L9	F8-K11 HydrophobicContact CB-CB 4.49Å; F8-K11 HydrophobicContact CB-CG 4.02Å; F8-K11 WeakPolarHBondContact O-CB 3.37Å; F8-K11 PolarHBondContact O-N 3.25Å; L9-K11 PolarHBondContact O-N 2.78Å
12	V	92.5	Very high	68.6	Low	29 Å²	29	86.3 Å²	86.3	18%	0.176	47%	0.469	C	S	.	.	S	Bend	trans	-83.6	120.1	174.5	180	0	0	0	0	108.3	F8 L9 Q14 P56 L57 I360	F8-V12 PolarHBondContact O-N 2.9Å; L9-V12 HydrophobicContact CD1-CB 4.35Å; L9-V12 PolarHBondContact O-N 2.9Å; L9-V12 VanDerWaalsContact O-N 3.17Å; V12-Q14 HydrophobicContact CG1-CB 4.5Å; V12-Q14 PolarHBondContact O-N 3.05Å; V12-Q14 VanDerWaalsContact O-N 3.11Å; V12-P56 HydrophobicContact CG1-CB 4.44Å; V12-L57 HydrophobicContact CG1-CD1 4.35Å; V12-L57 HydrophobicContact CG1-CD2 3.91Å; V12-L57 HydrophobicContact CG1-CG 3.88Å; V12-I360 HydrophobicContact CG2-CD1 3.89Å
13	F	92.4	Very high	68.7	Low	140 Å²	140	85.1 Å²	85.1	61%	0.614	46%	0.457	S	S	*	.			trans	-66.6	112.5	169.6	-179.5	-103.8	0	0	0	109.2	P15 M55 P56	F13-P15 HydrophobicContact CE1-CG 4Å; F13-P15 HydrophobicContact CZ-CB 4.41Å; F13-P15 HydrophobicContact CZ-CG 4.09Å; F13-M55 HydrophobicContact CE1-SD 4.17Å; F13-P56 HydrophobicContact CB-CG 4.37Å; F13-P56 WeakPolarHBondContact O-CD 3.39Å; F13-P56 WeakPolarHBondContact O-CG 3.34Å
14	Q	86.9	Confident	68.7	Low	35 Å²	35	80.5 Å²	80.5	16%	0.164	44%	0.437	C	S	.	.			trans	-146.1	91.7	-179.1	-173.2	178	5.4	0	0	108	V12 S16 N40 M379	V12-Q14 HydrophobicContact CG1-CB 4.5Å; V12-Q14 PolarHBondContact O-N 3.05Å; V12-Q14 VanDerWaalsContact O-N 3.11Å; Q14-S16 VanDerWaalsContact C-N 3.27Å; Q14-S16 PolarHBondContact O-N 3.23Å; Q14-N40 PolarHBondContact NE2-O 3.41Å; Q14-M379 PolarHBondContact NE2-SD 3.41Å
15	P	76.2	Confident	68	Low	42 Å²	42	81.4 Å²	81.4	27%	0.273	45%	0.448	S	S	.	.			trans	-69	89.8	174.9	29	-31.5	0	0	0	107.9	F13 G41 M55	F13-P15 HydrophobicContact CE1-CG 4Å; F13-P15 HydrophobicContact CZ-CB 4.41Å; F13-P15 HydrophobicContact CZ-CG 4.09Å; P15-G41 WeakPolarHBondContact O-CA 3.45Å; P15-M55 HydrophobicContact CG-SD 4.04Å
16	S	63	Low	67	Low	70 Å²	70	81.3 Å²	81.3	49%	0.49	46%	0.455	S	S	.	.			trans	-75.7	128.4	171.8	60.9	0	0	0	0	108.7	Q14 S18	Q14-S16 VanDerWaalsContact C-N 3.27Å; Q14-S16 PolarHBondContact O-N 3.23Å; S16-S18 PolarHBondContact O-N 3.18Å
17	V	59.2	Low	65.4	Low	66 Å²	66	81.8 Å²	81.8	40%	0.4	46%	0.456	S	S	.	.			trans	-65.5	120	172.8	-163.7	0	0	0	0	108.2	R19	V17-R19 WeakPolarHBondContact CG1-O 3.38Å; V17-R19 PolarHBondContact O-N 3.39Å; V17-R19 VanDerWaalsContact O-N 3.16Å
18	S	48.5	Very low	63.4	Low	118 Å²	118	86.3 Å²	86.3	83%	0.825	47%	0.473	S	S	*	.	S	Bend	trans	-63	-18.6	178.4	57.9	0	0	0	0	112.9	S16	S16-S18 PolarHBondContact O-N 3.18Å
19	R	49.2	Very low	61.6	Low	172 Å²	172	88.8 Å²	88.8	65%	0.649	49%	0.494	S	S	*	.	S	Bend	trans	-117.2	111.9	174.3	-66.6	-176.1	179.9	-169.9	-0.4	109.4	V17	V17-R19 WeakPolarHBondContact CG1-O 3.38Å; V17-R19 PolarHBondContact O-N 3.39Å; V17-R19 VanDerWaalsContact O-N 3.16Å
20	P	49.9	Very low	60.5	Low	51 Å²	51	90 Å²	90	33%	0.331	50%	0.502	S	S	.	.			trans	-52.6	147.9	169.1	-22.2	31.7	0	0	0	110.6	K22 T23	P20-K22 PolarHBondContact O-N 3.11Å; P20-T23 PolarHBondContact O-N 3.38Å; P20-T23 VanDerWaalsContact O-N 3.1Å; P20-T23 PolarHBondContact O-OG1 3.48Å
21	W	47.9	Very low	60.3	Low	52 Å²	52	87.7 Å²	87.7	20%	0.197	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-49.4	-20.6	180	-172.9	-94.9	0	0	0	114.7	T23 I24 V27 V30 R35 D39	W21-T23 PolarHBondContact O-N 2.92Å; W21-I24 HydrophobicContact CD2-CB 4.16Å; W21-I24 HydrophobicContact CE3-CB 4.13Å; W21-I24 HydrophobicContact CE3-CD1 3.7Å; W21-I24 HydrophobicContact CE3-CG1 4.41Å; W21-I24 HydrophobicContact CE3-CG2 4.48Å; W21-I24 HydrophobicContact CH2-CB 4.33Å; W21-I24 HydrophobicContact CH2-CD1 4.46Å; W21-I24 HydrophobicContact CH2-CG2 3.81Å; W21-I24 HydrophobicContact CZ2-CB 4.33Å; W21-I24 HydrophobicContact CZ2-CG2 3.96Å; W21-I24 HydrophobicContact CZ3-CB 4.22Å; W21-I24 HydrophobicContact CZ3-CD1 3.66Å; W21-I24 HydrophobicContact CZ3-CG2 4.08Å; W21-I24 PolarHBondContact O-N 3.3Å; W21-V27 HydrophobicContact CH2-CG2 3.99Å; W21-V27 HydrophobicContact CZ2-CB 3.7Å; W21-V27 HydrophobicContact CZ2-CG1 4.41Å; W21-V27 HydrophobicContact CZ2-CG2 3.54Å; W21-V30 HydrophobicContact CZ2-CG2 4.45Å; W21-R35 HydrophobicContact CB-CG 4.38Å; W21-D39 WeakPolarHBondContact CB-OD1 3.21Å; W21-D39 PolarHBondContact N-OD1 3.18Å
22	K	47.3	Very low	60.2	Low	177 Å²	177	83.3 Å²	83.3	77%	0.77	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-47.8	-22.9	171.7	-71.4	-170.4	177.6	-178.1	0	113.9	P20	P20-K22 PolarHBondContact O-N 3.11Å
23	T	42	Very low	60.2	Low	91 Å²	91	82 Å²	82	56%	0.558	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-92.5	-15	177.1	-27.8	0	0	0	0	114.5	P20 W21 A25	P20-T23 PolarHBondContact O-N 3.38Å; P20-T23 VanDerWaalsContact O-N 3.1Å; P20-T23 PolarHBondContact O-OG1 3.48Å; W21-T23 PolarHBondContact O-N 2.92Å; T23-A25 PolarHBondContact O-N 2.97Å
24	I	41.9	Very low	60.2	Low	88 Å²	88	76.3 Å²	76.3	45%	0.451	43%	0.432	S	S	.	.	S	Bend	trans	-90.9	93.8	177.2	-59.6	174.8	0	0	0	107.5	W21	W21-I24 HydrophobicContact CD2-CB 4.16Å; W21-I24 HydrophobicContact CE3-CB 4.13Å; W21-I24 HydrophobicContact CE3-CD1 3.7Å; W21-I24 HydrophobicContact CE3-CG1 4.41Å; W21-I24 HydrophobicContact CE3-CG2 4.48Å; W21-I24 HydrophobicContact CH2-CB 4.33Å; W21-I24 HydrophobicContact CH2-CD1 4.46Å; W21-I24 HydrophobicContact CH2-CG2 3.81Å; W21-I24 HydrophobicContact CZ2-CB 4.33Å; W21-I24 HydrophobicContact CZ2-CG2 3.96Å; W21-I24 HydrophobicContact CZ3-CB 4.22Å; W21-I24 HydrophobicContact CZ3-CD1 3.66Å; W21-I24 HydrophobicContact CZ3-CG2 4.08Å; W21-I24 PolarHBondContact O-N 3.3Å
25	A	36.7	Very low	60.4	Low	84 Å²	84	76.8 Å²	76.8	69%	0.694	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	142.2	177	0	0	0	0	0	112.7	T23 V27	T23-A25 PolarHBondContact O-N 2.97Å; A25-V27 PolarHBondContact O-N 3.32Å
26	A	42.4	Very low	61.2	Low	109 Å²	109	74.8 Å²	74.8	90%	0.901	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	31.5	150.9	0	0	0	0	0	119.7
27	V	41.3	Very low	62.7	Low	68 Å²	68	71.5 Å²	71.5	41%	0.412	40%	0.396	S	S	.	.			trans	-97.1	123.2	161.1	-171	0	0	0	0	108.8	W21 A25	W21-V27 HydrophobicContact CH2-CG2 3.99Å; W21-V27 HydrophobicContact CZ2-CB 3.7Å; W21-V27 HydrophobicContact CZ2-CG1 4.41Å; W21-V27 HydrophobicContact CZ2-CG2 3.54Å; A25-V27 PolarHBondContact O-N 3.32Å
28	E	47	Very low	64.3	Low	116 Å²	116	69 Å²	69	54%	0.542	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-18.4	131.5	170.9	-66.8	165.8	132.8	0	0	114.5	V30 K49	E28-V30 VanDerWaalsContact C-N 3.33Å; E28-V30 WeakPolarHBondContact O-CG2 3.41Å; E28-V30 PolarHBondContact O-N 2.84Å; E28-K49 IonicContact OE2-NZ 2.98Å; E28-K49 PolarHBondContact OE2-NZ 3.15Å
29	T	54.3	Low	66.3	Low	124 Å²	124	63.8 Å²	63.8	76%	0.761	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-2.3	77.8	168.8	41.1	0	0	0	0	114.7	S31	T29-S31 PolarHBondContact O-N 3.28Å
30	V	68.9	Low	68.3	Low	32 Å²	32	55.7 Å²	55.7	19%	0.194	31%	0.313	C	S	.	.			trans	-72.7	118.7	179.3	-179	0	0	0	0	107.4	W21 E28 Q34 R35	W21-V30 HydrophobicContact CZ2-CG2 4.45Å; E28-V30 VanDerWaalsContact C-N 3.33Å; E28-V30 WeakPolarHBondContact O-CG2 3.41Å; E28-V30 PolarHBondContact O-N 2.84Å; V30-Q34 HydrophobicContact CG1-CB 3.87Å; V30-Q34 HydrophobicContact CG1-CG 3.74Å; V30-R35 HydrophobicContact CG1-CB 3.94Å
31	S	85.9	Confident	70.4	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.063	30%	0.298	C	S	.	.			trans	-56	153.2	176	53.1	0	0	0	0	111.2	T29 S33 Q34 R35 F163	T29-S31 PolarHBondContact O-N 3.28Å; S31-S33 VanDerWaalsContact C-N 3.3Å; S31-S33 PolarHBondContact O-N 3.01Å; S31-S33 PolarHBondContact OG-OG 2.94Å; S31-Q34 PolarHBondContact O-N 2.84Å; S31-Q34 WeakPolarHBondContact OG-CB 3.41Å; S31-Q34 PolarHBondContact OG-N 2.9Å; S31-R35 PolarHBondContact O-N 3.35Å; S31-R35 VanDerWaalsContact O-N 3.09Å; S31-F163 VanDerWaalsContact OG-CA 3.25Å; S31-F163 WeakPolarHBondContact OG-CA 3.14Å
32	R	90.9	Very high	72.6	Confident	76 Å²	76	50.9 Å²	50.9	29%	0.287	29%	0.288	S	S	.	.	H	α-helix	trans	-51.7	-49.3	175.9	177.7	-174.5	-67.3	145.2	-4.3	111.6	R35 L36 D319 S322 T323 D324	R32-R35 PolarHBondContact O-N 3.11Å; R32-L36 HydrophobicContact CG-CD1 3.74Å; R32-L36 HydrophobicContact CG-CG 4.35Å; R32-L36 WeakPolarHBondContact O-CB 3.32Å; R32-L36 WeakPolarHBondContact O-CG 3.41Å; R32-L36 PolarHBondContact O-N 3.03Å; R32-D319 PolarHBondContact NH1-O 2.92Å; R32-S322 WeakPolarHBondContact CD-O 3.41Å; R32-S322 PolarHBondContact NH1-O 3.37Å; R32-T323 WeakPolarHBondContact CD-O 3.45Å; R32-D324 IonicContact CZ-OD1 3.01Å; R32-D324 IonicContact NE-OD1 3.03Å; R32-D324 PolarHBondContact NE-OD1 3.02Å; R32-D324 IonicContact NH2-OD1 3.5Å; R32-D324 PolarHBondContact NH2-OD1 3.25Å
33	S	92.9	Very high	74.9	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-49.3	-179.4	59.1	0	0	0	0	112.8	S31 R35 L36 L37 S315	S31-S33 VanDerWaalsContact C-N 3.3Å; S31-S33 PolarHBondContact O-N 3.01Å; S31-S33 PolarHBondContact OG-OG 2.94Å; S33-R35 VanDerWaalsContact C-N 3.34Å; S33-R35 PolarHBondContact O-N 3.09Å; S33-L36 PolarHBondContact O-N 2.85Å; S33-L37 VanDerWaalsContact O-CB 3.32Å; S33-L37 WeakPolarHBondContact O-CB 3.37Å; S33-L37 WeakPolarHBondContact O-CG 3.3Å; S33-L37 PolarHBondContact O-N 3.05Å; S33-S315 WeakPolarHBondContact CB-O 3.36Å; S33-S315 PolarHBondContact OG-OG 3.26Å
34	Q	91.8	Very high	77.2	Confident	20 Å²	20	41.8 Å²	41.8	9%	0.093	24%	0.242	C	C	.	.	H	α-helix	trans	-54.9	-49.5	177.3	-180	178.8	-2.6	0	0	111.7	V30 S31 L37 L38 G164	V30-Q34 HydrophobicContact CG1-CB 3.87Å; V30-Q34 HydrophobicContact CG1-CG 3.74Å; S31-Q34 PolarHBondContact O-N 2.84Å; S31-Q34 WeakPolarHBondContact OG-CB 3.41Å; S31-Q34 PolarHBondContact OG-N 2.9Å; Q34-L37 PolarHBondContact O-N 2.82Å; Q34-L38 HydrophobicContact CG-CD1 3.79Å; Q34-L38 WeakPolarHBondContact O-CB 3.11Å; Q34-L38 WeakPolarHBondContact O-CG 3.32Å; Q34-L38 PolarHBondContact O-N 3.31Å; Q34-G164 VanDerWaalsContact CD-N 3.26Å
35	R	90.7	Very high	79.4	Confident	46 Å²	46	41 Å²	41	17%	0.174	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-49.3	179.4	179.4	177.2	50.1	70.6	-1.6	111	W21 V30 S31 R32 S33 L37 L38 D39 D324	W21-R35 HydrophobicContact CB-CG 4.38Å; V30-R35 HydrophobicContact CG1-CB 3.94Å; S31-R35 PolarHBondContact O-N 3.35Å; S31-R35 VanDerWaalsContact O-N 3.09Å; R32-R35 PolarHBondContact O-N 3.11Å; S33-R35 VanDerWaalsContact C-N 3.34Å; S33-R35 PolarHBondContact O-N 3.09Å; R35-L37 PolarHBondContact O-N 3.44Å; R35-L38 PolarHBondContact O-N 3.41Å; R35-D39 WeakPolarHBondContact O-CB 3.44Å; R35-D39 VanDerWaalsContact O-CG 3.27Å; R35-D39 PolarHBondContact O-N 3.46Å; R35-D324 PolarHBondContact NH1-O 3.33Å; R35-D324 PolarHBondContact NH2-O 3.11Å
36	L	93.5	Very high	81.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-41.1	179.8	-71.9	174.2	0	0	0	112.4	R32 S33 N40 S322 M327	R32-L36 HydrophobicContact CG-CD1 3.74Å; R32-L36 HydrophobicContact CG-CG 4.35Å; R32-L36 WeakPolarHBondContact O-CB 3.32Å; R32-L36 WeakPolarHBondContact O-CG 3.41Å; R32-L36 PolarHBondContact O-N 3.03Å; S33-L36 PolarHBondContact O-N 2.85Å; L36-N40 VanDerWaalsContact O-CB 3.27Å; L36-N40 WeakPolarHBondContact O-CB 3.39Å; L36-N40 PolarHBondContact O-N 2.81Å; L36-N40 PolarHBondContact O-ND2 3.28Å; L36-S322 VanDerWaalsContact CD1-CB 3.44Å; L36-M327 HydrophobicContact CB-CG 3.78Å; L36-M327 HydrophobicContact CB-SD 4.18Å; L36-M327 HydrophobicContact CD1-CG 3.91Å; L36-M327 HydrophobicContact CD2-CG 4.41Å; L36-M327 HydrophobicContact CG-CG 4.26Å
37	L	94.3	Very high	83.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-43.5	179.1	-74.5	167	0	0	0	112.1	S33 Q34 R35 G41 L42 I43 L165 L314 L318	S33-L37 VanDerWaalsContact O-CB 3.32Å; S33-L37 WeakPolarHBondContact O-CB 3.37Å; S33-L37 WeakPolarHBondContact O-CG 3.3Å; S33-L37 PolarHBondContact O-N 3.05Å; Q34-L37 PolarHBondContact O-N 2.82Å; R35-L37 PolarHBondContact O-N 3.44Å; L37-G41 PolarHBondContact O-N 3.37Å; L37-L42 HydrophobicContact CB-CB 4.5Å; L37-L42 HydrophobicContact CD2-CB 3.73Å; L37-L42 HydrophobicContact CD2-CD2 3.91Å; L37-L42 HydrophobicContact CD2-CG 4.39Å; L37-L42 WeakPolarHBondContact O-CB 3.4Å; L37-L42 PolarHBondContact O-N 2.81Å; L37-I43 HydrophobicContact CB-CD1 3.64Å; L37-I43 HydrophobicContact CB-CG1 3.8Å; L37-I43 HydrophobicContact CB-CG2 4.49Å; L37-I43 HydrophobicContact CD1-CD1 4.14Å; L37-I43 PolarHBondContact O-N 3.26Å; L37-L165 HydrophobicContact CD1-CD1 3.94Å; L37-L165 HydrophobicContact CD1-CG 4.23Å; L37-L314 HydrophobicContact CD2-CD2 4.14Å; L37-L318 HydrophobicContact CD1-CD1 4.22Å; L37-L318 HydrophobicContact CD2-CD1 3.47Å; L37-L318 VanDerWaalsContact CD2-CD1 3.47Å; L37-L318 HydrophobicContact CG-CD1 3.78Å
38	L	92.2	Very high	85	Confident	14 Å²	14	37.8 Å²	37.8	7%	0.073	22%	0.216	C	C	.	.	H	α-helix	trans	-70.3	-50.8	177.8	-72.1	166.1	0	0	0	111.6	Q34 R35 N40 G41 I43	Q34-L38 HydrophobicContact CG-CD1 3.79Å; Q34-L38 WeakPolarHBondContact O-CB 3.11Å; Q34-L38 WeakPolarHBondContact O-CG 3.32Å; Q34-L38 PolarHBondContact O-N 3.31Å; R35-L38 PolarHBondContact O-N 3.41Å; L38-N40 PolarHBondContact O-N 3.07Å; L38-N40 VanDerWaalsContact O-N 3.14Å; L38-G41 PolarHBondContact O-N 3.2Å; L38-I43 HydrophobicContact CD2-CD1 4.29Å; L38-I43 HydrophobicContact CD2-CG1 3.75Å; L38-I43 HydrophobicContact CG-CD1 4.2Å; L38-I43 HydrophobicContact CG-CG1 3.98Å
39	D	90.9	Very high	86.9	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-31.5	-177.1	-87.2	-7.1	0	0	0	113	W21 R35 R378	W21-D39 WeakPolarHBondContact CB-OD1 3.21Å; W21-D39 PolarHBondContact N-OD1 3.18Å; R35-D39 WeakPolarHBondContact O-CB 3.44Å; R35-D39 VanDerWaalsContact O-CG 3.27Å; R35-D39 PolarHBondContact O-N 3.46Å; D39-R378 VanDerWaalsContact CB-NH2 3.28Å; D39-R378 IonicContact OD2-NH2 3.46Å; D39-R378 PolarHBondContact OD2-NH2 3.48Å
40	N	92.8	Very high	88.6	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.016	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	4.2	180	-72.1	-71.2	0	0	0	113	Q14 L36 L38 L42 M327 R378 M379	Q14-N40 PolarHBondContact NE2-O 3.41Å; L36-N40 VanDerWaalsContact O-CB 3.27Å; L36-N40 WeakPolarHBondContact O-CB 3.39Å; L36-N40 PolarHBondContact O-N 2.81Å; L36-N40 PolarHBondContact O-ND2 3.28Å; L38-N40 PolarHBondContact O-N 3.07Å; L38-N40 VanDerWaalsContact O-N 3.14Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 HydrophobicContact CB-CD1 3.42Å; N40-L42 VanDerWaalsContact CB-CD1 3.42Å; N40-L42 PolarHBondContact O-N 3.47Å; N40-M327 HydrophobicContact CB-CE 3.7Å; N40-M327 WeakPolarHBondContact ND2-CE 3.37Å; N40-R378 VanDerWaalsContact OD1-CD 3.26Å; N40-R378 WeakPolarHBondContact OD1-CD 3.44Å; N40-R378 WeakPolarHBondContact OD1-CG 3.46Å; N40-M379 HydrophobicContact CB-SD 3.62Å
41	G	92.8	Very high	89.7	Confident	1 Å²	1	32 Å²	32	1%	0.01	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	37.2	178.8	0	0	0	0	0	113.3	P15 L37 L38 M55	P15-G41 WeakPolarHBondContact O-CA 3.45Å; L37-G41 PolarHBondContact O-N 3.37Å; L38-G41 PolarHBondContact O-N 3.2Å; G41-M55 WeakPolarHBondContact O-CB 3.31Å; G41-M55 VanDerWaalsContact O-CG 3.26Å; G41-M55 WeakPolarHBondContact O-CG 3.38Å
42	L	94.9	Very high	90.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-89	-29.4	170.7	-82.2	87.9	0	0	0	111.7	L37 N40 M55 C58 M327 W329 M379	L37-L42 HydrophobicContact CB-CB 4.5Å; L37-L42 HydrophobicContact CD2-CB 3.73Å; L37-L42 HydrophobicContact CD2-CD2 3.91Å; L37-L42 HydrophobicContact CD2-CG 4.39Å; L37-L42 WeakPolarHBondContact O-CB 3.4Å; L37-L42 PolarHBondContact O-N 2.81Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 HydrophobicContact CB-CD1 3.42Å; N40-L42 VanDerWaalsContact CB-CD1 3.42Å; N40-L42 PolarHBondContact O-N 3.47Å; L42-M55 WeakPolarHBondContact O-CB 3.29Å; L42-M55 PolarHBondContact O-N 2.82Å; L42-C58 HydrophobicContact CB-CB 3.91Å; L42-C58 HydrophobicContact CD2-CB 4.28Å; L42-C58 HydrophobicContact CG-CB 4.34Å; L42-C58 WeakPolarHBondContact O-CB 3.4Å; L42-M327 HydrophobicContact CD1-CE 3.59Å; L42-M327 HydrophobicContact CD1-SD 4.17Å; L42-M327 HydrophobicContact CD2-CE 4.4Å; L42-M327 HydrophobicContact CD2-SD 4.33Å; L42-W329 HydrophobicContact CD2-CH2 3.8Å; L42-W329 HydrophobicContact CD2-CZ2 3.43Å; L42-W329 VanDerWaalsContact CD2-CZ2 3.43Å; L42-M379 HydrophobicContact CD1-CE 3.63Å; L42-M379 HydrophobicContact CD1-SD 4.07Å; L42-M379 HydrophobicContact CG-CE 4.42Å
43	I	93.9	Very high	90.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.1	170.7	69	-174.5	0	0	0	109.3	L37 L38 Y52 H53 Y54 L165	L37-I43 HydrophobicContact CB-CD1 3.64Å; L37-I43 HydrophobicContact CB-CG1 3.8Å; L37-I43 HydrophobicContact CB-CG2 4.49Å; L37-I43 HydrophobicContact CD1-CD1 4.14Å; L37-I43 PolarHBondContact O-N 3.26Å; L38-I43 HydrophobicContact CD2-CD1 4.29Å; L38-I43 HydrophobicContact CD2-CG1 3.75Å; L38-I43 HydrophobicContact CG-CD1 4.2Å; L38-I43 HydrophobicContact CG-CG1 3.98Å; I43-Y52 HydrophobicContact CB-CD1 4.44Å; I43-Y52 HydrophobicContact CD1-CD1 3.75Å; I43-Y52 HydrophobicContact CD1-CE1 4.05Å; I43-Y52 HydrophobicContact CD1-CG 4.23Å; I43-Y52 HydrophobicContact CG1-CD1 4.11Å; I43-H53 CarbonylContact C-O 3.56Å; I43-H53 WeakPolarHBondContact CA-O 3.3Å; I43-Y54 HydrophobicContact CG2-CD1 4.44Å; I43-L165 HydrophobicContact CD1-CD2 4.39Å; I43-L165 HydrophobicContact CD1-CG 4.21Å; I43-L165 HydrophobicContact CG2-CD1 4.09Å; I43-L165 HydrophobicContact CG2-CD2 4.38Å; I43-L165 HydrophobicContact CG2-CG 4.43Å
44	E	91.2	Very high	90.4	Very high	77 Å²	77	36 Å²	36	36%	0.36	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.1	174.4	-169.4	79.6	-172.8	0	0	108.3	Y52 H53 M55	E44-Y52 CarbonylContact O-C 3.56Å; E44-Y52 WeakPolarHBondContact O-CA 3.33Å; E44-H53 HydrophobicContact CB-CB 4.25Å; E44-H53 PolarHBondContact N-O 3.06Å; E44-H53 PolarHBondContact O-N 3.36Å; E44-M55 HydrophobicContact CB-CE 3.81Å; E44-M55 HydrophobicContact CB-SD 4.46Å
45	H	88	Confident	90.5	Very high	72 Å²	72	36 Å²	36	33%	0.333	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	140.2	168.9	-79.6	-76.8	0	0	0	110.7	Y52	H45-Y52 AromaticContact CE1-CE1 3.35Å; H45-Y52 WeakPolarHBondContact CE1-CE1 3.43Å; H45-Y52 AromaticContact CE1-CZ 3.91Å; H45-Y52 AromaticContact ND1-CE1 3.53Å; H45-Y52 AromaticContact NE2-CE1 3.94Å
46	V	84.2	Confident	90.8	Very high	69 Å²	69	36.8 Å²	36.8	42%	0.418	21%	0.206	S	C	.	.			trans	-89.4	-86	173.1	-171.8	0	0	0	0	110.3	L51 H53	V46-L51 HydrophobicContact CB-CB 4.15Å; V46-L51 HydrophobicContact CG2-CB 4.3Å; V46-L51 PolarHBondContact N-O 3.46Å; V46-H53 WeakPolarHBondContact CG2-CE1 3.27Å; V46-H53 WeakPolarHBondContact CG2-ND1 3.26Å
47	A	78.7	Confident	90.9	Very high	69 Å²	69	37 Å²	37	57%	0.57	21%	0.207	S	C	*	.	S	Bend	trans	-152.7	138.4	175	0	0	0	0	0	107.9
48	G	76.3	Confident	91	Very high	56 Å²	56	37 Å²	37	58%	0.577	21%	0.207	S	C	*	.	S	Bend	trans	71.5	172.4	-174.6	0	0	0	0	0	114.3
49	K	86.3	Confident	91.3	Very high	112 Å²	112	38.8 Å²	38.8	49%	0.487	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	141.3	176.1	-67.7	-171.6	179.1	-175.3	0	110.1	E28 P161 R169	E28-K49 IonicContact OE2-NZ 2.98Å; E28-K49 PolarHBondContact OE2-NZ 3.15Å; K49-P161 HydrophobicContact CB-CB 4.34Å; K49-P161 HydrophobicContact CB-CG 4.19Å; K49-R169 VanDerWaalsContact O-CD 3.25Å; K49-R169 WeakPolarHBondContact O-CD 3.33Å
50	G	89.1	Confident	91.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.01	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	13.7	169.8	0	0	0	0	0	116.9	P161 S168 R169	G50-P161 VanDerWaalsContact CA-CB 3.44Å; G50-S168 VanDerWaalsContact O-CB 3.23Å; G50-S168 WeakPolarHBondContact O-CB 3.32Å; G50-R169 PolarHBondContact O-N 2.87Å
51	L	92.1	Very high	91.9	Very high	37 Å²	37	41.7 Å²	41.7	19%	0.194	23%	0.229	C	C	.	.			trans	-121.1	130.2	174.2	-67.2	175.1	0	0	0	110	V46 R169 E170	V46-L51 HydrophobicContact CB-CB 4.15Å; V46-L51 HydrophobicContact CG2-CB 4.3Å; V46-L51 PolarHBondContact N-O 3.46Å; L51-R169 HydrophobicContact CD2-CB 3.89Å; L51-R169 HydrophobicContact CG-CB 4.36Å; L51-E170 HydrophobicContact CD2-CB 3.78Å
52	Y	93.9	Very high	92.1	Very high	15 Å²	15	42.1 Å²	42.1	6%	0.059	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.7	-172.7	-57.6	-83.4	0	0	0	112.4	I43 E44 H45 G164 L165	I43-Y52 HydrophobicContact CB-CD1 4.44Å; I43-Y52 HydrophobicContact CD1-CD1 3.75Å; I43-Y52 HydrophobicContact CD1-CE1 4.05Å; I43-Y52 HydrophobicContact CD1-CG 4.23Å; I43-Y52 HydrophobicContact CG1-CD1 4.11Å; E44-Y52 CarbonylContact O-C 3.56Å; E44-Y52 WeakPolarHBondContact O-CA 3.33Å; H45-Y52 AromaticContact CE1-CE1 3.35Å; H45-Y52 WeakPolarHBondContact CE1-CE1 3.43Å; H45-Y52 AromaticContact CE1-CZ 3.91Å; H45-Y52 AromaticContact ND1-CE1 3.53Å; H45-Y52 AromaticContact NE2-CE1 3.94Å; Y52-G164 VanDerWaalsContact CE2-O 3.29Å; Y52-G164 WeakPolarHBondContact CE2-O 3.35Å; Y52-G164 WeakPolarHBondContact OH-CA 3.45Å; Y52-L165 HydrophobicContact CD2-CD2 3.85Å; Y52-L165 HydrophobicContact CG-CD2 4.12Å
53	H	94.2	Very high	92.3	Very high	100 Å²	100	47.7 Å²	47.7	46%	0.463	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	136.4	161.7	-63.5	-42.4	0	0	0	109.6	I43 E44 V46 M55	I43-H53 CarbonylContact C-O 3.56Å; I43-H53 WeakPolarHBondContact CA-O 3.3Å; E44-H53 HydrophobicContact CB-CB 4.25Å; E44-H53 PolarHBondContact N-O 3.06Å; E44-H53 PolarHBondContact O-N 3.36Å; V46-H53 WeakPolarHBondContact CG2-CE1 3.27Å; V46-H53 WeakPolarHBondContact CG2-ND1 3.26Å; H53-M55 HydrophobicContact CB-CE 3.36Å
54	Y	95.8	Very high	92.5	Very high	57 Å²	57	48 Å²	48	22%	0.224	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.1	173.9	-61.3	-95	0	0	0	109.4	I43 L62 L165 S311	I43-Y54 HydrophobicContact CG2-CD1 4.44Å; Y54-L62 HydrophobicContact CD1-CD1 3.45Å; Y54-L62 VanDerWaalsContact CD1-CD1 3.45Å; Y54-L62 HydrophobicContact CE1-CD1 3.67Å; Y54-L62 HydrophobicContact CG-CD1 4.2Å; Y54-L165 HydrophobicContact CE1-CD1 3.81Å; Y54-L165 HydrophobicContact CE1-CD2 3.88Å; Y54-S311 VanDerWaalsContact OH-CB 3.28Å; Y54-S311 WeakPolarHBondContact OH-CB 3.4Å
55	M	95.4	Very high	92.8	Very high	19 Å²	19	44.3 Å²	44.3	9%	0.094	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-81.5	162.1	179.7	-61.3	-61	105.7	0	0	111.2	F13 P15 G41 L42 E44 H53 L57 C58 V59	F13-M55 HydrophobicContact CE1-SD 4.17Å; P15-M55 HydrophobicContact CG-SD 4.04Å; G41-M55 WeakPolarHBondContact O-CB 3.31Å; G41-M55 VanDerWaalsContact O-CG 3.26Å; G41-M55 WeakPolarHBondContact O-CG 3.38Å; L42-M55 WeakPolarHBondContact O-CB 3.29Å; L42-M55 PolarHBondContact O-N 2.82Å; E44-M55 HydrophobicContact CB-CE 3.81Å; E44-M55 HydrophobicContact CB-SD 4.46Å; H53-M55 HydrophobicContact CB-CE 3.36Å; M55-L57 VanDerWaalsContact C-N 3.31Å; M55-L57 PolarHBondContact O-N 3.3Å; M55-L57 VanDerWaalsContact O-N 3.09Å; M55-C58 WeakPolarHBondContact O-CA 3.41Å; M55-C58 WeakPolarHBondContact O-CB 3.39Å; M55-C58 PolarHBondContact O-N 2.78Å; M55-V59 PolarHBondContact O-N 2.6Å
56	P	96.3	Very high	93.4	Very high	62 Å²	62	42.1 Å²	42.1	40%	0.403	23%	0.232	S	C	.	.	H	α-helix	trans	-50.6	-40.6	-171.4	-32.1	37	0	0	0	115.9	V12 F13 R60	V12-P56 HydrophobicContact CG1-CB 4.44Å; F13-P56 HydrophobicContact CB-CG 4.37Å; F13-P56 WeakPolarHBondContact O-CD 3.39Å; F13-P56 WeakPolarHBondContact O-CG 3.34Å; P56-R60 WeakPolarHBondContact O-CB 3.2Å; P56-R60 PolarHBondContact O-N 3.31Å
57	L	96	Very high	94	Very high	4 Å²	4	45 Å²	45	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-70.6	-34.8	178.7	-64.6	-178.2	0	0	0	112.8	V12 M55 A61 P335 Y336 M379	V12-L57 HydrophobicContact CG1-CD1 4.35Å; V12-L57 HydrophobicContact CG1-CD2 3.91Å; V12-L57 HydrophobicContact CG1-CG 3.88Å; M55-L57 VanDerWaalsContact C-N 3.31Å; M55-L57 PolarHBondContact O-N 3.3Å; M55-L57 VanDerWaalsContact O-N 3.09Å; L57-A61 PolarHBondContact O-N 2.93Å; L57-A61 VanDerWaalsContact O-N 3.13Å; L57-P335 HydrophobicContact CB-CB 4.21Å; L57-P335 HydrophobicContact CB-CG 4.35Å; L57-P335 HydrophobicContact CD2-CB 4.21Å; L57-P335 WeakPolarHBondContact O-CG 3.32Å; L57-Y336 HydrophobicContact CD2-CD2 4.06Å; L57-Y336 HydrophobicContact CD2-CE2 3.65Å; L57-M379 HydrophobicContact CD1-CE 3.49Å; L57-M379 VanDerWaalsContact CD1-CE 3.49Å
58	C	97.1	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.9	-43.8	174.5	-168	0	0	0	0	111.2	L42 M55 R60 A61 L62	L42-C58 HydrophobicContact CB-CB 3.91Å; L42-C58 HydrophobicContact CD2-CB 4.28Å; L42-C58 HydrophobicContact CG-CB 4.34Å; L42-C58 WeakPolarHBondContact O-CB 3.4Å; M55-C58 WeakPolarHBondContact O-CA 3.41Å; M55-C58 WeakPolarHBondContact O-CB 3.39Å; M55-C58 PolarHBondContact O-N 2.78Å; C58-R60 VanDerWaalsContact C-N 3.29Å; C58-R60 PolarHBondContact O-N 3.27Å; C58-A61 PolarHBondContact O-N 2.8Å; C58-A61 VanDerWaalsContact O-N 3.16Å; C58-L62 WeakPolarHBondContact O-CG 3.48Å; C58-L62 PolarHBondContact O-N 3.07Å
59	V	97.8	Very high	96.1	Very high	52 Å²	52	39.5 Å²	39.5	32%	0.315	18%	0.183	S	C	.	.	H	α-helix	trans	-56.4	-46.2	173.3	173.9	0	0	0	0	110.2	M55 A61 L62 E63	M55-V59 PolarHBondContact O-N 2.6Å; V59-A61 VanDerWaalsContact C-N 3.34Å; V59-A61 PolarHBondContact O-N 2.91Å; V59-L62 PolarHBondContact O-N 2.98Å; V59-E63 HydrophobicContact CG1-CG 4.22Å; V59-E63 WeakPolarHBondContact O-CB 3.47Å; V59-E63 WeakPolarHBondContact O-CG 3.37Å; V59-E63 PolarHBondContact O-N 3.43Å
60	R	97.2	Very high	96.6	Very high	72 Å²	72	38.9 Å²	38.9	27%	0.272	18%	0.177	S	C	.	.	H	α-helix	trans	-59.6	-41.4	177.3	-175.6	169.6	172.6	78.1	3.2	112.8	P56 C58 K64 P335 E358	P56-R60 WeakPolarHBondContact O-CB 3.2Å; P56-R60 PolarHBondContact O-N 3.31Å; C58-R60 VanDerWaalsContact C-N 3.29Å; C58-R60 PolarHBondContact O-N 3.27Å; R60-K64 WeakPolarHBondContact O-CG 3.36Å; R60-K64 PolarHBondContact O-N 2.98Å; R60-P335 VanDerWaalsContact CD-O 3.27Å; R60-P335 WeakPolarHBondContact CD-O 3.35Å; R60-P335 PolarHBondContact NE-O 2.67Å; R60-E358 IonicContact NH2-OE1 2.77Å
61	A	98.1	Very high	97.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-43.6	174.8	0	0	0	0	0	112.1	L57 C58 V59 E63 K64 L65 L314 W329 I333 P335	L57-A61 PolarHBondContact O-N 2.93Å; L57-A61 VanDerWaalsContact O-N 3.13Å; C58-A61 PolarHBondContact O-N 2.8Å; C58-A61 VanDerWaalsContact O-N 3.16Å; V59-A61 VanDerWaalsContact C-N 3.34Å; V59-A61 PolarHBondContact O-N 2.91Å; A61-E63 PolarHBondContact O-N 3.13Å; A61-K64 PolarHBondContact O-N 2.64Å; A61-L65 PolarHBondContact O-N 2.89Å; A61-L65 VanDerWaalsContact O-N 3.09Å; A61-L314 HydrophobicContact CB-CD1 3.95Å; A61-W329 HydrophobicContact CB-CE3 4.37Å; A61-W329 HydrophobicContact CB-CH2 4.14Å; A61-W329 HydrophobicContact CB-CZ3 3.79Å; A61-I333 WeakPolarHBondContact CA-O 3.33Å; A61-I333 VanDerWaalsContact CB-O 3.29Å; A61-I333 WeakPolarHBondContact CB-O 3.46Å; A61-P335 HydrophobicContact CB-CG 4.13Å
62	L	98.4	Very high	97.4	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.052	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-42.6	175.7	-75.6	171.7	0	0	0	112.1	Y54 C58 V59 K64 L65 I66 L314	Y54-L62 HydrophobicContact CD1-CD1 3.45Å; Y54-L62 VanDerWaalsContact CD1-CD1 3.45Å; Y54-L62 HydrophobicContact CE1-CD1 3.67Å; Y54-L62 HydrophobicContact CG-CD1 4.2Å; C58-L62 WeakPolarHBondContact O-CG 3.48Å; C58-L62 PolarHBondContact O-N 3.07Å; V59-L62 PolarHBondContact O-N 2.98Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.09Å; L62-L65 WeakPolarHBondContact O-CB 3.23Å; L62-L65 PolarHBondContact O-N 3.2Å; L62-I66 WeakPolarHBondContact O-CB 3.35Å; L62-I66 WeakPolarHBondContact O-CD1 3.37Å; L62-I66 WeakPolarHBondContact O-CG1 3.16Å; L62-I66 PolarHBondContact O-N 3.02Å; L62-L314 HydrophobicContact CD2-CB 4.26Å; L62-L314 HydrophobicContact CD2-CD1 3.77Å; L62-L314 HydrophobicContact CG-CD1 3.9Å
63	E	98.2	Very high	97.6	Very high	117 Å²	117	40 Å²	40	55%	0.547	18%	0.184	S	C	.	.	H	α-helix	trans	-61.9	-37.9	178	-76.3	179.4	162.6	0	0	112.4	V59 A61 I66 R67	V59-E63 HydrophobicContact CG1-CG 4.22Å; V59-E63 WeakPolarHBondContact O-CB 3.47Å; V59-E63 WeakPolarHBondContact O-CG 3.37Å; V59-E63 PolarHBondContact O-N 3.43Å; A61-E63 PolarHBondContact O-N 3.13Å; E63-I66 PolarHBondContact O-N 3.33Å; E63-R67 WeakPolarHBondContact O-CB 3.2Å; E63-R67 PolarHBondContact O-N 3.38Å
64	K	98.3	Very high	97.8	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-44.4	173.9	-68.5	-179.9	-170.2	-163.9	0	111.9	R60 A61 L62 R67 I68 I333 A334 P335 E358	R60-K64 WeakPolarHBondContact O-CG 3.36Å; R60-K64 PolarHBondContact O-N 2.98Å; A61-K64 PolarHBondContact O-N 2.64Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.09Å; K64-R67 WeakPolarHBondContact O-CB 3.23Å; K64-R67 PolarHBondContact O-N 2.81Å; K64-I68 PolarHBondContact O-N 2.86Å; K64-I68 VanDerWaalsContact O-N 3.1Å; K64-I333 HydrophobicContact CB-CB 4.48Å; K64-A334 WeakPolarHBondContact CD-O 3.13Å; K64-A334 WeakPolarHBondContact CE-O 3.47Å; K64-A334 PolarHBondContact NZ-O 3.35Å; K64-P335 WeakPolarHBondContact CE-O 3.31Å; K64-P335 PolarHBondContact NZ-O 2.92Å; K64-E358 WeakPolarHBondContact CE-OE1 3.35Å; K64-E358 IonicContact NZ-OE1 2.85Å; K64-E358 PolarHBondContact NZ-OE1 2.87Å; K64-E358 IonicContact NZ-OE2 3.34Å; K64-E358 PolarHBondContact NZ-OE2 3.34Å
65	L	98.6	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-45.6	174.5	177	61.6	0	0	0	111.1	A61 L62 R67 I68 V69 I204 L310 L313 I333	A61-L65 PolarHBondContact O-N 2.89Å; A61-L65 VanDerWaalsContact O-N 3.09Å; L62-L65 WeakPolarHBondContact O-CB 3.23Å; L62-L65 PolarHBondContact O-N 3.2Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3.29Å; L65-I68 PolarHBondContact O-N 3.15Å; L65-V69 HydrophobicContact CD1-CG2 4.43Å; L65-V69 WeakPolarHBondContact O-CG2 3.22Å; L65-V69 PolarHBondContact O-N 3.22Å; L65-I204 HydrophobicContact CD1-CD1 4.23Å; L65-I204 HydrophobicContact CD1-CG2 4.12Å; L65-L310 HydrophobicContact CD2-CB 4.26Å; L65-L310 HydrophobicContact CD2-CD2 4.03Å; L65-L310 HydrophobicContact CG-CD2 4.07Å; L65-L313 HydrophobicContact CD1-CD2 3.98Å; L65-L313 HydrophobicContact CD2-CD2 4.06Å; L65-L313 HydrophobicContact CD2-CG 4.31Å; L65-I333 HydrophobicContact CB-CG2 4.09Å; L65-I333 HydrophobicContact CD1-CG2 4.42Å
66	I	98.7	Very high	98.1	Very high	26 Å²	26	40.5 Å²	40.5	13%	0.133	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-43.6	175.4	-74	163.8	0	0	0	110.8	L62 E63 V69 R70 I151 L172 L310	L62-I66 WeakPolarHBondContact O-CB 3.35Å; L62-I66 WeakPolarHBondContact O-CD1 3.37Å; L62-I66 WeakPolarHBondContact O-CG1 3.16Å; L62-I66 PolarHBondContact O-N 3.02Å; E63-I66 PolarHBondContact O-N 3.33Å; I66-V69 PolarHBondContact O-N 3.31Å; I66-R70 HydrophobicContact CG2-CG 4.2Å; I66-R70 WeakPolarHBondContact O-CB 3.11Å; I66-R70 VanDerWaalsContact O-CG 3.31Å; I66-R70 WeakPolarHBondContact O-CG 3.32Å; I66-R70 PolarHBondContact O-N 3.12Å; I66-I151 HydrophobicContact CB-CD1 4.45Å; I66-I151 HydrophobicContact CD1-CG2 4.35Å; I66-I151 HydrophobicContact CG1-CD1 4.37Å; I66-I151 HydrophobicContact CG1-CG2 4.29Å; I66-I151 HydrophobicContact CG2-CD1 3.73Å; I66-L172 HydrophobicContact CD1-CD2 3.83Å; I66-L310 HydrophobicContact CD1-CD1 4.43Å; I66-L310 HydrophobicContact CG1-CD1 3.66Å
67	R	98.6	Very high	98.2	Very high	131 Å²	131	44.1 Å²	44.1	49%	0.494	22%	0.221	S	C	.	.	H	α-helix	trans	-59.6	-49	177.4	-177.5	174.4	62.9	-159.7	-0.6	111.3	E63 K64 L65 V69 R70 D71	E63-R67 WeakPolarHBondContact O-CB 3.2Å; E63-R67 PolarHBondContact O-N 3.38Å; K64-R67 WeakPolarHBondContact O-CB 3.23Å; K64-R67 PolarHBondContact O-N 2.81Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3.29Å; R67-V69 VanDerWaalsContact C-N 3.31Å; R67-V69 PolarHBondContact O-N 2.97Å; R67-R70 PolarHBondContact O-N 3.12Å; R67-D71 PolarHBondContact O-N 3Å
68	I	98.6	Very high	98.3	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.046	22%	0.224	C	C	.	.	H	α-helix	trans	-56.8	-46.5	176.5	-67.8	169.7	0	0	0	111	K64 L65 D71 E72 I200 R203 I204 I333	K64-I68 PolarHBondContact O-N 2.86Å; K64-I68 VanDerWaalsContact O-N 3.1Å; L65-I68 PolarHBondContact O-N 3.15Å; I68-D71 PolarHBondContact O-N 3.43Å; I68-E72 PolarHBondContact O-N 3.04Å; I68-I200 HydrophobicContact CG2-CG2 4.35Å; I68-R203 HydrophobicContact CG2-CB 3.94Å; I68-R203 PolarHBondContact O-NH1 3.49Å; I68-I204 HydrophobicContact CD1-CG2 3.58Å; I68-I204 HydrophobicContact CG2-CG2 4.39Å; I68-I333 HydrophobicContact CD1-CG2 3.87Å
69	V	98.8	Very high	98.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-46.1	179	174.3	0	0	0	0	110.9	L65 I66 R67 D71 E72 M73 K174 I200 L310	L65-V69 HydrophobicContact CD1-CG2 4.43Å; L65-V69 WeakPolarHBondContact O-CG2 3.22Å; L65-V69 PolarHBondContact O-N 3.22Å; I66-V69 PolarHBondContact O-N 3.31Å; R67-V69 VanDerWaalsContact C-N 3.31Å; R67-V69 PolarHBondContact O-N 2.97Å; V69-D71 PolarHBondContact O-N 2.91Å; V69-E72 PolarHBondContact O-N 2.7Å; V69-M73 HydrophobicContact CG1-CG 4.28Å; V69-M73 VanDerWaalsContact O-CG 3.3Å; V69-M73 WeakPolarHBondContact O-CG 3.16Å; V69-M73 PolarHBondContact O-N 2.84Å; V69-K174 HydrophobicContact CG1-CB 4.18Å; V69-K174 HydrophobicContact CG1-CD 4.09Å; V69-K174 HydrophobicContact CG1-CG 3.68Å; V69-I200 HydrophobicContact CB-CD1 4.47Å; V69-I200 HydrophobicContact CG1-CD1 4.3Å; V69-I200 HydrophobicContact CG2-CD1 4.2Å; V69-I200 HydrophobicContact CG2-CG2 4.07Å; V69-L310 HydrophobicContact CG2-CD2 3.93Å
70	R	98.6	Very high	98.4	Very high	98 Å²	98	50.7 Å²	50.7	37%	0.37	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-40.4	178.9	-77.6	-176.7	168.5	167.4	-0.4	112.8	I66 R67 E72 M73 S74 Y149 I151	I66-R70 HydrophobicContact CG2-CG 4.2Å; I66-R70 WeakPolarHBondContact O-CB 3.11Å; I66-R70 VanDerWaalsContact O-CG 3.31Å; I66-R70 WeakPolarHBondContact O-CG 3.32Å; I66-R70 PolarHBondContact O-N 3.12Å; R67-R70 PolarHBondContact O-N 3.12Å; R70-E72 VanDerWaalsContact C-N 3.33Å; R70-E72 PolarHBondContact O-N 3.32Å; R70-M73 PolarHBondContact O-N 3.25Å; R70-S74 WeakPolarHBondContact O-CB 3.38Å; R70-S74 PolarHBondContact O-N 3.3Å; R70-S74 PolarHBondContact O-OG 3.08Å; R70-Y149 HydrophobicContact CG-CE2 4.2Å; R70-I151 HydrophobicContact CG-CD1 3.98Å
71	D	98.6	Very high	98.4	Very high	65 Å²	65	49.2 Å²	49.2	35%	0.348	25%	0.249	S	C	.	.	H	α-helix	trans	-57.6	-48.4	174.8	-64.2	-17	0	0	0	110.3	R67 I68 V69 M73 S74 C75 R203	R67-D71 PolarHBondContact O-N 3Å; I68-D71 PolarHBondContact O-N 3.43Å; V69-D71 PolarHBondContact O-N 2.91Å; D71-M73 PolarHBondContact O-N 3.11Å; D71-S74 WeakPolarHBondContact O-CB 3.41Å; D71-S74 PolarHBondContact O-N 2.89Å; D71-S74 VanDerWaalsContact O-N 3.12Å; D71-C75 PolarHBondContact O-N 3.12Å; D71-C75 PolarHBondContact O-SG 2.94Å; D71-C75 VanDerWaalsContact O-SG 3.35Å; D71-R203 IonicContact OD2-CZ 3.79Å; D71-R203 IonicContact OD2-NH1 3.73Å; D71-R203 IonicContact OD2-NH2 3.74Å; D71-R203 PolarHBondContact OD2-NH2 2.8Å
72	E	98.6	Very high	98.4	Very high	13 Å²	13	54.3 Å²	54.3	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-68.7	-33.4	-180	-64.9	-62.6	154.1	0	0	112.9	I68 V69 R70 S74 C75 L76 R199 I200 R203	I68-E72 PolarHBondContact O-N 3.04Å; V69-E72 PolarHBondContact O-N 2.7Å; R70-E72 VanDerWaalsContact C-N 3.33Å; R70-E72 PolarHBondContact O-N 3.32Å; E72-S74 VanDerWaalsContact C-N 3.32Å; E72-C75 PolarHBondContact O-N 3.39Å; E72-L76 PolarHBondContact O-N 3.08Å; E72-R199 WeakPolarHBondContact OE2-CB 3.36Å; E72-R199 IonicContact OE2-CZ 3.3Å; E72-R199 IonicContact OE2-NE 3.56Å; E72-R199 PolarHBondContact OE2-NE 2.99Å; E72-R199 IonicContact OE2-NH2 2.76Å; E72-R199 PolarHBondContact OE2-NH2 3.37Å; E72-I200 HydrophobicContact CB-CD1 4.1Å; E72-I200 HydrophobicContact CB-CG1 3.75Å; E72-I200 HydrophobicContact CG-CD1 4.46Å; E72-I200 HydrophobicContact CG-CG1 3.57Å; E72-R203 WeakPolarHBondContact OE1-CD 3.17Å; E72-R203 IonicContact OE1-CZ 3.94Å; E72-R203 IonicContact OE1-NE 3.44Å; E72-R203 IonicContact OE1-NH1 3.29Å; E72-R203 PolarHBondContact OE1-NH1 3.46Å
73	M	98.7	Very high	98.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.5	-34.7	171.2	-63	-52.9	84.9	0	0	111.4	V69 R70 D71 L76 A78 Y149 K174 L176 A196 I200	V69-M73 HydrophobicContact CG1-CG 4.28Å; V69-M73 VanDerWaalsContact O-CG 3.3Å; V69-M73 WeakPolarHBondContact O-CG 3.16Å; V69-M73 PolarHBondContact O-N 2.84Å; R70-M73 PolarHBondContact O-N 3.25Å; D71-M73 PolarHBondContact O-N 3.11Å; M73-L76 HydrophobicContact CE-CD1 3.93Å; M73-L76 WeakPolarHBondContact O-CB 3.4Å; M73-L76 PolarHBondContact O-N 3.26Å; M73-L76 VanDerWaalsContact O-N 3.13Å; M73-L76 HydrophobicContact SD-CD1 4.46Å; M73-A78 HydrophobicContact CB-CB 4.27Å; M73-A78 WeakPolarHBondContact O-CB 3.5Å; M73-A78 PolarHBondContact O-N 3.15Å; M73-A78 VanDerWaalsContact O-N 3.08Å; M73-Y149 HydrophobicContact CB-CD1 4.13Å; M73-Y149 HydrophobicContact CB-CD2 4.29Å; M73-Y149 HydrophobicContact CB-CE1 3.82Å; M73-Y149 HydrophobicContact CB-CE2 3.99Å; M73-Y149 HydrophobicContact CB-CG 4.35Å; M73-Y149 HydrophobicContact CG-CD1 4.49Å; M73-Y149 HydrophobicContact CG-CD2 3.91Å; M73-Y149 HydrophobicContact CG-CE1 4.48Å; M73-Y149 HydrophobicContact CG-CE2 3.89Å; M73-Y149 HydrophobicContact CG-CG 4.21Å; M73-K174 HydrophobicContact CG-CD 4.35Å; M73-K174 HydrophobicContact SD-CD 4.01Å; M73-L176 HydrophobicContact SD-CB 4.32Å; M73-L176 HydrophobicContact SD-CD1 3.47Å; M73-L176 WeakPolarHBondContact SD-CD1 3.48Å; M73-A196 HydrophobicContact CE-CB 4.27Å; M73-I200 HydrophobicContact CE-CD1 4.14Å
74	S	98.3	Very high	98.3	Very high	66 Å²	66	52.7 Å²	52.7	46%	0.462	29%	0.286	S	S	.	.	H	α-helix	trans	-69	-36.4	176.9	-54.8	0	0	0	0	111.3	R70 D71 E72 L76 N77	R70-S74 WeakPolarHBondContact O-CB 3.38Å; R70-S74 PolarHBondContact O-N 3.3Å; R70-S74 PolarHBondContact O-OG 3.08Å; D71-S74 WeakPolarHBondContact O-CB 3.41Å; D71-S74 PolarHBondContact O-N 2.89Å; D71-S74 VanDerWaalsContact O-N 3.12Å; E72-S74 VanDerWaalsContact C-N 3.32Å; S74-L76 PolarHBondContact O-N 2.81Å; S74-N77 PolarHBondContact O-N 2.82Å
75	C	98.4	Very high	98.2	Very high	90 Å²	90	54.6 Å²	54.6	61%	0.608	30%	0.299	S	S	*	.	H	α-helix	trans	-61	-21.5	170.7	-65	0	0	0	0	113.7	D71 E72 N77	D71-C75 PolarHBondContact O-N 3.12Å; D71-C75 PolarHBondContact O-SG 2.94Å; D71-C75 VanDerWaalsContact O-SG 3.35Å; E72-C75 PolarHBondContact O-N 3.39Å; C75-N77 VanDerWaalsContact C-N 3.34Å
76	L	98.3	Very high	98	Very high	29 Å²	29	59.1 Å²	59.1	15%	0.152	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.4	173.3	-63.5	173.2	0	0	0	112.9	E72 M73 S74 A78 L147 L176 V193 A196	E72-L76 PolarHBondContact O-N 3.08Å; M73-L76 HydrophobicContact CE-CD1 3.93Å; M73-L76 WeakPolarHBondContact O-CB 3.4Å; M73-L76 PolarHBondContact O-N 3.26Å; M73-L76 VanDerWaalsContact O-N 3.13Å; M73-L76 HydrophobicContact SD-CD1 4.46Å; S74-L76 PolarHBondContact O-N 2.81Å; L76-A78 PolarHBondContact O-N 2.98Å; L76-L147 HydrophobicContact CB-CD1 3.84Å; L76-L147 WeakPolarHBondContact O-CD1 3.16Å; L76-L176 HydrophobicContact CD1-CD1 4.47Å; L76-V193 HydrophobicContact CD1-CG2 4.06Å; L76-A196 HydrophobicContact CD1-CB 3.81Å; L76-A196 HydrophobicContact CD2-CB 4.34Å; L76-A196 HydrophobicContact CG-CB 4.24Å
77	N	98.2	Very high	97.7	Very high	138 Å²	138	57.9 Å²	57.9	74%	0.738	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	30.2	-167.9	-55.3	-57.6	0	0	0	113.2	S74 C75 N79	S74-N77 PolarHBondContact O-N 2.82Å; C75-N77 VanDerWaalsContact C-N 3.34Å; N77-N79 PolarHBondContact O-ND2 3.16Å
78	A	98.7	Very high	97.4	Very high	10 Å²	10	54 Å²	54	8%	0.083	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-76.8	137.2	175.6	0	0	0	0	0	111.3	M73 L76 L147 Y149 L176	M73-A78 HydrophobicContact CB-CB 4.27Å; M73-A78 WeakPolarHBondContact O-CB 3.5Å; M73-A78 PolarHBondContact O-N 3.15Å; M73-A78 VanDerWaalsContact O-N 3.08Å; L76-A78 PolarHBondContact O-N 2.98Å; A78-L147 WeakPolarHBondContact CA-O 3.49Å; A78-L147 HydrophobicContact CB-CB 3.67Å; A78-L147 HydrophobicContact CB-CD1 4.38Å; A78-Y149 HydrophobicContact CB-CD1 3.69Å; A78-Y149 HydrophobicContact CB-CE1 4.16Å; A78-Y149 WeakPolarHBondContact O-CE1 3.38Å; A78-L176 HydrophobicContact CB-CD1 3.64Å
79	N	98.4	Very high	97.1	Very high	90 Å²	90	57.7 Å²	57.7	48%	0.481	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.9	-177.3	-63	-93	0	0	0	110	N77 L147 L148 Y149	N77-N79 PolarHBondContact O-ND2 3.16Å; N79-L147 PolarHBondContact N-O 3.31Å; N79-L147 PolarHBondContact ND2-O 2.89Å; N79-L148 HydrophobicContact CB-CD2 3.9Å; N79-L148 WeakPolarHBondContact O-CA 3.45Å; N79-Y149 WeakPolarHBondContact O-CD1 3.37Å; N79-Y149 PolarHBondContact O-N 2.97Å
80	F	98.4	Very high	96.9	Very high	95 Å²	95	63.8 Å²	63.8	42%	0.417	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.8	179	-172.5	-112.8	0	0	0	110.9	Y149 I151	F80-Y149 CarbonylContact C-O 3.31Å; F80-Y149 WeakPolarHBondContact CA-O 3.47Å; F80-Y149 HydrophobicContact CB-CD1 4.41Å; F80-Y149 HydrophobicContact CB-CE1 3.72Å; F80-Y149 AromaticContact CD2-CD2 3.87Å; F80-Y149 HydrophobicContact CD2-CD2 3.87Å; F80-Y149 HydrophobicContact CD2-CE1 4.11Å; F80-Y149 AromaticContact CD2-CE2 3.41Å; F80-Y149 HydrophobicContact CD2-CE2 3.41Å; F80-Y149 VanDerWaalsContact CD2-CE2 3.41Å; F80-Y149 HydrophobicContact CD2-CG 4.4Å; F80-Y149 AromaticContact CD2-CZ 3.54Å; F80-Y149 HydrophobicContact CE2-CD2 4.43Å; F80-Y149 HydrophobicContact CE2-CE2 4.06Å; F80-Y149 HydrophobicContact CG-CE1 4.42Å; F80-Y149 HydrophobicContact CG-CE2 4.37Å; F80-I151 HydrophobicContact CE2-CB 4.22Å; F80-I151 HydrophobicContact CE2-CG1 4.19Å
81	L	98.1	Very high	96.7	Very high	40 Å²	40	59.1 Å²	59.1	21%	0.209	33%	0.326	C	S	.	.			trans	-144.7	173.6	174.1	63	83.4	0	0	0	111	L83 I130 L148 Y149 Q150	L81-L83 HydrophobicContact CD1-CD1 4.26Å; L81-L83 HydrophobicContact CD1-CD2 3.57Å; L81-L83 HydrophobicContact CD1-CG 3.47Å; L81-L83 VanDerWaalsContact CD1-CG 3.47Å; L81-I130 HydrophobicContact CD1-CD1 4.23Å; L81-I130 HydrophobicContact CD2-CD1 4Å; L81-L148 HydrophobicContact CD2-CB 3.79Å; L81-L148 HydrophobicContact CD2-CD1 3.92Å; L81-L148 HydrophobicContact CD2-CD2 4.08Å; L81-L148 HydrophobicContact CD2-CG 4.13Å; L81-Y149 PolarHBondContact N-O 2.88Å; L81-Q150 WeakPolarHBondContact O-CA 3.49Å; L81-Q150 WeakPolarHBondContact O-CB 3.17Å
82	S	97.7	Very high	96.5	Very high	107 Å²	107	56.1 Å²	56.1	75%	0.748	31%	0.309	S	S	*	.			trans	-125.8	118.1	175.6	-174.1	0	0	0	0	109.2
83	L	97.7	Very high	96.3	Very high	19 Å²	19	59.9 Å²	59.9	10%	0.099	33%	0.327	C	S	.	.			trans	-93.5	152.5	172.9	-60.8	175.3	0	0	0	109.9	L81 S85 H126 I130 L133	L81-L83 HydrophobicContact CD1-CD1 4.26Å; L81-L83 HydrophobicContact CD1-CD2 3.57Å; L81-L83 HydrophobicContact CD1-CG 3.47Å; L81-L83 VanDerWaalsContact CD1-CG 3.47Å; L83-S85 PolarHBondContact O-N 3.49Å; L83-H126 VanDerWaalsContact CB-CD2 3.49Å; L83-H126 WeakPolarHBondContact CB-CD2 3.44Å; L83-H126 HydrophobicContact CD1-CB 3.66Å; L83-I130 HydrophobicContact CD1-CB 3.93Å; L83-I130 HydrophobicContact CD1-CD1 3.91Å; L83-I130 HydrophobicContact CD1-CG1 4.49Å; L83-I130 HydrophobicContact CD2-CD1 4.06Å; L83-I130 HydrophobicContact CG-CD1 4.44Å; L83-L133 HydrophobicContact CD2-CD2 4.35Å
84	S	96.5	Very high	96.2	Very high	75 Å²	75	64.6 Å²	64.6	52%	0.524	35%	0.348	S	S	.	.			trans	-56.8	135.4	173.8	175.8	0	0	0	0	111	L86 C123 H126	S84-L86 WeakPolarHBondContact CB-O 3.41Å; S84-L86 PolarHBondContact O-N 3.22Å; S84-L86 PolarHBondContact OG-N 3.05Å; S84-L86 PolarHBondContact OG-O 3.25Å; S84-C123 PolarHBondContact O-SG 3.15Å; S84-H126 PolarHBondContact O-CD2 3.43Å; S84-H126 PolarHBondContact O-NE2 3.35Å
85	S	95.7	Very high	96	Very high	45 Å²	45	61.7 Å²	61.7	32%	0.315	33%	0.327	S	S	.	.	S	Bend	trans	-74.5	-11.5	169.1	-57.1	0	0	0	0	112.9	L83 L122 C123	L83-S85 PolarHBondContact O-N 3.49Å; S85-L122 CarbonylContact O-C 3.48Å; S85-L122 WeakPolarHBondContact O-CA 3.09Å; S85-C123 PolarHBondContact O-N 2.91Å; S85-C123 PolarHBondContact O-SG 2.92Å
86	L	94	Very high	95.7	Very high	96 Å²	96	59.3 Å²	59.3	50%	0.503	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.9	169.2	-68.1	169.6	0	0	0	109	S84 F120 L122	S84-L86 WeakPolarHBondContact CB-O 3.41Å; S84-L86 PolarHBondContact O-N 3.22Å; S84-L86 PolarHBondContact OG-N 3.05Å; S84-L86 PolarHBondContact OG-O 3.25Å; L86-F120 HydrophobicContact CB-CD1 4.41Å; L86-F120 HydrophobicContact CD2-CB 4.4Å; L86-L122 HydrophobicContact CD2-CD2 3.8Å
87	C	93.2	Very high	95.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	136	177.7	-81.1	0	0	0	0	109.6	W92 F120 C121 C123 S129	C87-W92 VanDerWaalsContact CB-NE1 3.34Å; C87-F120 CarbonylContact O-C 3.46Å; C87-F120 WeakPolarHBondContact O-CA 3.42Å; C87-C121 VanDerWaalsContact CB-SG 3.53Å; C87-C121 PolarHBondContact N-O 3.48Å; C87-C121 PolarHBondContact O-N 3.2Å; C87-C123 VanDerWaalsContact CA-SG 3.56Å; C87-C123 HydrophobicContact CB-CB 4.28Å; C87-C123 WeakPolarHBondContact CB-SG 3.45Å; C87-C123 PolarHBondContact N-SG 3.49Å; C87-C123 WeakPolarHBondContact SG-CB 3.26Å; C87-C123 CovalentContact SG-SG 2.03Å; C87-C123 PolarHBondContact SG-SG 3.02Å; C87-S129 PolarHBondContact SG-OG 3.26Å
88	D	92.6	Very high	95.1	Very high	48 Å²	48	53.1 Å²	53.1	26%	0.257	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	143	177.4	63.9	96.6	0	0	0	112.1	Y90 S91 F120	D88-Y90 PolarHBondContact O-N 2.95Å; D88-Y90 VanDerWaalsContact OD1-CB 3.32Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.35Å; D88-Y90 PolarHBondContact OD1-N 3.21Å; D88-S91 VanDerWaalsContact CG-OG 3.3Å; D88-S91 PolarHBondContact O-N 3.25Å; D88-S91 WeakPolarHBondContact OD1-CB 3.18Å; D88-S91 PolarHBondContact OD1-N 2.59Å; D88-S91 PolarHBondContact OD1-OG 3.04Å; D88-S91 PolarHBondContact OD2-OG 3.33Å; D88-S91 VanDerWaalsContact OD2-OG 3.06Å; D88-F120 HydrophobicContact CB-CE1 4.47Å
89	R	92.8	Very high	94.5	Very high	87 Å²	87	56.1 Å²	56.1	33%	0.328	31%	0.314	S	S	.	.	H	α-helix	trans	-53.9	-39	174.3	172.8	167.7	176.6	157.1	3.6	113.2	S91 W92 E93 W98 E119	R89-S91 PolarHBondContact O-N 2.85Å; R89-W92 PolarHBondContact O-N 3.16Å; R89-E93 HydrophobicContact CG-CG 3.87Å; R89-E93 IonicContact CZ-OE1 3.14Å; R89-E93 VanDerWaalsContact NE-CD 3.34Å; R89-E93 IonicContact NE-OE1 2.73Å; R89-E93 PolarHBondContact NE-OE1 3.01Å; R89-E93 IonicContact NE-OE2 3.79Å; R89-E93 IonicContact NH2-OE1 2.71Å; R89-E93 PolarHBondContact NH2-OE1 2.92Å; R89-E93 WeakPolarHBondContact O-CG 3.36Å; R89-E93 PolarHBondContact O-N 3.29Å; R89-W98 HydrophobicContact CB-CD2 4.12Å; R89-W98 HydrophobicContact CB-CE3 3.98Å; R89-W98 HydrophobicContact CB-CH2 3.69Å; R89-W98 HydrophobicContact CB-CZ2 3.85Å; R89-W98 HydrophobicContact CB-CZ3 3.77Å; R89-W98 VanDerWaalsContact CD-CE2 3.48Å; R89-W98 HydrophobicContact CG-CD2 3.65Å; R89-W98 HydrophobicContact CG-CE3 4.02Å; R89-W98 HydrophobicContact CG-CG 4.12Å; R89-W98 HydrophobicContact CG-CH2 4.13Å; R89-W98 HydrophobicContact CG-CZ2 3.78Å; R89-W98 HydrophobicContact CG-CZ3 4.24Å; R89-E119 HydrophobicContact CB-CB 4.2Å; R89-E119 WeakPolarHBondContact CD-OE2 3.41Å; R89-E119 IonicContact CZ-OE2 3.67Å; R89-E119 PolarHBondContact N-O 3.39Å; R89-E119 IonicContact NE-OE2 2.87Å; R89-E119 IonicContact NH1-OE1 2.9Å; R89-E119 IonicContact NH1-OE2 2.73Å; R89-E119 PolarHBondContact NH1-OE2 3.12Å
90	Y	93	Very high	93.8	Very high	129 Å²	129	57 Å²	57	51%	0.506	32%	0.315	S	S	.	.	H	α-helix	trans	-57.1	-48.4	-174.9	167.1	-91.3	0	0	0	112.5	D88 W92 E93 K94	D88-Y90 PolarHBondContact O-N 2.95Å; D88-Y90 VanDerWaalsContact OD1-CB 3.32Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.35Å; D88-Y90 PolarHBondContact OD1-N 3.21Å; Y90-W92 VanDerWaalsContact C-N 3.29Å; Y90-W92 PolarHBondContact O-N 3.42Å; Y90-E93 PolarHBondContact O-N 3.09Å; Y90-K94 HydrophobicContact CE1-CG 4.32Å; Y90-K94 HydrophobicContact CE2-CG 4.37Å; Y90-K94 WeakPolarHBondContact O-CG 3.4Å; Y90-K94 PolarHBondContact O-N 3.12Å; Y90-K94 VanDerWaalsContact O-N 3.09Å; Y90-K94 WeakPolarHBondContact OH-CE 3.38Å
91	S	95.2	Very high	92.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-35.2	-178.5	-53.6	0	0	0	0	111.8	D88 R89 S95 N132	D88-S91 VanDerWaalsContact CG-OG 3.3Å; D88-S91 PolarHBondContact O-N 3.25Å; D88-S91 WeakPolarHBondContact OD1-CB 3.18Å; D88-S91 PolarHBondContact OD1-N 2.59Å; D88-S91 PolarHBondContact OD1-OG 3.04Å; D88-S91 PolarHBondContact OD2-OG 3.33Å; D88-S91 VanDerWaalsContact OD2-OG 3.06Å; R89-S91 PolarHBondContact O-N 2.85Å; S91-S95 PolarHBondContact O-N 3.38Å; S91-N132 PolarHBondContact OG-ND2 3.08Å
92	W	94.2	Very high	91.4	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-75.8	-31.3	177.3	-78.6	76.9	0	0	0	114.2	C87 R89 Y90 S95 G96 R97 W98 L101 P124 E128	C87-W92 VanDerWaalsContact CB-NE1 3.34Å; R89-W92 PolarHBondContact O-N 3.16Å; Y90-W92 VanDerWaalsContact C-N 3.29Å; Y90-W92 PolarHBondContact O-N 3.42Å; W92-S95 PolarHBondContact O-OG 2.96Å; W92-S95 VanDerWaalsContact O-OG 3.06Å; W92-G96 PolarHBondContact O-N 3.48Å; W92-R97 HydrophobicContact CE3-CB 3.74Å; W92-R97 HydrophobicContact CZ3-CB 3.94Å; W92-R97 PolarHBondContact O-N 3.19Å; W92-W98 HydrophobicContact CB-CB 3.97Å; W92-W98 HydrophobicContact CB-CD2 4.45Å; W92-W98 HydrophobicContact CB-CE3 3.68Å; W92-W98 HydrophobicContact CG-CE3 4.22Å; W92-W98 PolarHBondContact O-N 3Å; W92-L101 HydrophobicContact CE3-CD1 4.13Å; W92-L101 HydrophobicContact CE3-CD2 3.7Å; W92-L101 HydrophobicContact CE3-CG 4.1Å; W92-L101 HydrophobicContact CH2-CD2 4.01Å; W92-L101 HydrophobicContact CZ3-CD2 3.38Å; W92-L101 HydrophobicContact CZ3-CG 4.23Å; W92-P124 HydrophobicContact CH2-CG 3.57Å; W92-P124 HydrophobicContact CZ2-CG 3.99Å; W92-E128 HydrophobicContact CD2-CG 4.26Å; W92-E128 HydrophobicContact CG-CG 4.18Å
93	E	94.5	Very high	90.4	Very high	93 Å²	93	53.6 Å²	53.6	44%	0.435	32%	0.316	S	S	.	.	H	α-helix	trans	-68	-40.5	170.8	-78	-174	147.5	0	0	110.9	R89 Y90 S95 G96 W98	R89-E93 HydrophobicContact CG-CG 3.87Å; R89-E93 IonicContact CZ-OE1 3.14Å; R89-E93 VanDerWaalsContact NE-CD 3.34Å; R89-E93 IonicContact NE-OE1 2.73Å; R89-E93 PolarHBondContact NE-OE1 3.01Å; R89-E93 IonicContact NE-OE2 3.79Å; R89-E93 IonicContact NH2-OE1 2.71Å; R89-E93 PolarHBondContact NH2-OE1 2.92Å; R89-E93 WeakPolarHBondContact O-CG 3.36Å; R89-E93 PolarHBondContact O-N 3.29Å; Y90-E93 PolarHBondContact O-N 3.09Å; E93-S95 VanDerWaalsContact C-N 3.33Å; E93-S95 PolarHBondContact O-N 3.35Å; E93-G96 WeakPolarHBondContact O-CA 3.3Å; E93-G96 PolarHBondContact O-N 3.38Å; E93-W98 HydrophobicContact CG-CB 3.83Å; E93-W98 HydrophobicContact CG-CG 4.03Å
94	K	95.9	Very high	89.5	Confident	99 Å²	99	58.4 Å²	58.4	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-40.1	176.1	-71.3	-70.1	-175.6	179.2	0	112.3	Y90 G96 P286 L287	Y90-K94 HydrophobicContact CE1-CG 4.32Å; Y90-K94 HydrophobicContact CE2-CG 4.37Å; Y90-K94 WeakPolarHBondContact O-CG 3.4Å; Y90-K94 PolarHBondContact O-N 3.12Å; Y90-K94 VanDerWaalsContact O-N 3.09Å; Y90-K94 WeakPolarHBondContact OH-CE 3.38Å; K94-G96 PolarHBondContact O-N 3.13Å; K94-P286 WeakPolarHBondContact O-CB 3.29Å; K94-L287 HydrophobicContact CB-CD2 3.57Å; K94-L287 HydrophobicContact CB-CG 4.1Å; K94-L287 HydrophobicContact CG-CD2 4.05Å
95	S	94.4	Very high	88.9	Confident	5 Å²	5	56.1 Å²	56.1	4%	0.035	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.4	173.9	71	0	0	0	0	113.5	S91 W92 E93 R97 E128 R282	S91-S95 PolarHBondContact O-N 3.38Å; W92-S95 PolarHBondContact O-OG 2.96Å; W92-S95 VanDerWaalsContact O-OG 3.06Å; E93-S95 VanDerWaalsContact C-N 3.33Å; E93-S95 PolarHBondContact O-N 3.35Å; S95-R97 PolarHBondContact O-N 2.76Å; S95-R97 WeakPolarHBondContact OG-CB 3.37Å; S95-R97 PolarHBondContact OG-N 3.47Å; S95-E128 WeakPolarHBondContact CB-OE1 3.21Å; S95-E128 WeakPolarHBondContact OG-CG 3.45Å; S95-E128 PolarHBondContact OG-OE1 3.33Å; S95-R282 PolarHBondContact O-NH2 3.31Å
96	G	93	Very high	88.4	Confident	40 Å²	40	56.5 Å²	56.5	41%	0.412	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	7.2	-174.4	0	0	0	0	0	114	W92 E93 K94	W92-G96 PolarHBondContact O-N 3.48Å; E93-G96 WeakPolarHBondContact O-CA 3.3Å; E93-G96 PolarHBondContact O-N 3.38Å; K94-G96 PolarHBondContact O-N 3.13Å
97	R	92.4	Very high	88	Confident	9 Å²	9	54.5 Å²	54.5	3%	0.034	31%	0.306	C	S	.	.			trans	-90.1	-14.9	-176.5	-69.3	-179.9	59.8	-140.6	7.9	113.5	W92 S95 G99 Q100 L101 T125 E127 E128 S217 Y283	W92-R97 HydrophobicContact CE3-CB 3.74Å; W92-R97 HydrophobicContact CZ3-CB 3.94Å; W92-R97 PolarHBondContact O-N 3.19Å; S95-R97 PolarHBondContact O-N 2.76Å; S95-R97 WeakPolarHBondContact OG-CB 3.37Å; S95-R97 PolarHBondContact OG-N 3.47Å; R97-G99 PolarHBondContact O-N 3.46Å; R97-Q100 WeakPolarHBondContact O-CA 3.47Å; R97-Q100 WeakPolarHBondContact O-CB 3.38Å; R97-Q100 PolarHBondContact O-N 3.35Å; R97-L101 PolarHBondContact O-N 3.4Å; R97-T125 PolarHBondContact NH1-OG1 2.86Å; R97-E127 IonicContact NH1-OE2 2.64Å; R97-E128 WeakPolarHBondContact CD-OE1 3.42Å; R97-E128 IonicContact CZ-OE1 3.82Å; R97-E128 IonicContact NE-OE1 2.92Å; R97-E128 IonicContact NH1-OE1 3.64Å; R97-E128 PolarHBondContact NH1-OE1 2.84Å; R97-E128 IonicContact NH1-OE2 3.33Å; R97-E128 PolarHBondContact NH1-OE2 2.83Å; R97-E128 VanDerWaalsContact NH1-OE2 3.15Å; R97-S217 PolarHBondContact NE-O 3.37Å; R97-Y283 PolarHBondContact NH1-OH 3.24Å
98	W	90.9	Very high	87.5	Confident	28 Å²	28	57 Å²	57	11%	0.106	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-55.2	-46.7	178	-174.3	-99.3	0	0	0	113	R89 W92 E93 Q100 L101 V109 E119 C121	R89-W98 HydrophobicContact CB-CD2 4.12Å; R89-W98 HydrophobicContact CB-CE3 3.98Å; R89-W98 HydrophobicContact CB-CH2 3.69Å; R89-W98 HydrophobicContact CB-CZ2 3.85Å; R89-W98 HydrophobicContact CB-CZ3 3.77Å; R89-W98 VanDerWaalsContact CD-CE2 3.48Å; R89-W98 HydrophobicContact CG-CD2 3.65Å; R89-W98 HydrophobicContact CG-CE3 4.02Å; R89-W98 HydrophobicContact CG-CG 4.12Å; R89-W98 HydrophobicContact CG-CH2 4.13Å; R89-W98 HydrophobicContact CG-CZ2 3.78Å; R89-W98 HydrophobicContact CG-CZ3 4.24Å; W92-W98 HydrophobicContact CB-CB 3.97Å; W92-W98 HydrophobicContact CB-CD2 4.45Å; W92-W98 HydrophobicContact CB-CE3 3.68Å; W92-W98 HydrophobicContact CG-CE3 4.22Å; W92-W98 PolarHBondContact O-N 3Å; E93-W98 HydrophobicContact CG-CB 3.83Å; E93-W98 HydrophobicContact CG-CG 4.03Å; W98-Q100 PolarHBondContact O-N 2.9Å; W98-L101 HydrophobicContact CD2-CD1 3.8Å; W98-L101 HydrophobicContact CE3-CD1 3.37Å; W98-L101 HydrophobicContact CG-CD1 4.34Å; W98-L101 HydrophobicContact CZ3-CD1 3.83Å; W98-L101 VanDerWaalsContact O-CB 3.27Å; W98-L101 WeakPolarHBondContact O-CB 3.32Å; W98-L101 WeakPolarHBondContact O-CG 3.1Å; W98-L101 PolarHBondContact O-N 2.74Å; W98-V109 HydrophobicContact CZ2-CG1 4.39Å; W98-E119 HydrophobicContact CH2-CB 4.24Å; W98-E119 HydrophobicContact CZ2-CB 4.12Å; W98-C121 HydrophobicContact CZ3-CB 4.15Å
99	G	85.4	Confident	86.8	Confident	73 Å²	73	57.5 Å²	57.5	75%	0.753	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-69.7	-19.2	177.7	0	0	0	0	0	114.1	R97 L101	R97-G99 PolarHBondContact O-N 3.46Å; G99-L101 VanDerWaalsContact C-N 3.3Å
100	Q	83.9	Confident	86.1	Confident	108 Å²	108	61.8 Å²	61.8	51%	0.505	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-84.9	-7.2	176.8	-56.9	177.5	4.4	0	0	112.2	R97 W98 G102	R97-Q100 WeakPolarHBondContact O-CA 3.47Å; R97-Q100 WeakPolarHBondContact O-CB 3.38Å; R97-Q100 PolarHBondContact O-N 3.35Å; W98-Q100 PolarHBondContact O-N 2.9Å; Q100-G102 PolarHBondContact O-N 2.98Å
101	L	74.6	Confident	85.3	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.037	35%	0.353	C	S	.	.			trans	-60.1	-36.7	-179.1	-70.7	170.9	0	0	0	110.9	W92 R97 W98 G99 S103 E104 F105 V107 C121	W92-L101 HydrophobicContact CE3-CD1 4.13Å; W92-L101 HydrophobicContact CE3-CD2 3.7Å; W92-L101 HydrophobicContact CE3-CG 4.1Å; W92-L101 HydrophobicContact CH2-CD2 4.01Å; W92-L101 HydrophobicContact CZ3-CD2 3.38Å; W92-L101 HydrophobicContact CZ3-CG 4.23Å; R97-L101 PolarHBondContact O-N 3.4Å; W98-L101 HydrophobicContact CD2-CD1 3.8Å; W98-L101 HydrophobicContact CE3-CD1 3.37Å; W98-L101 HydrophobicContact CG-CD1 4.34Å; W98-L101 HydrophobicContact CZ3-CD1 3.83Å; W98-L101 VanDerWaalsContact O-CB 3.27Å; W98-L101 WeakPolarHBondContact O-CB 3.32Å; W98-L101 WeakPolarHBondContact O-CG 3.1Å; W98-L101 PolarHBondContact O-N 2.74Å; G99-L101 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 3Å; L101-E104 PolarHBondContact O-N 2.72Å; L101-F105 HydrophobicContact CB-CB 4.5Å; L101-F105 HydrophobicContact CB-CD2 3.54Å; L101-F105 HydrophobicContact CB-CE2 4.17Å; L101-F105 HydrophobicContact CB-CG 4.38Å; L101-F105 HydrophobicContact CD2-CB 4.05Å; L101-F105 HydrophobicContact CD2-CD1 4.24Å; L101-F105 HydrophobicContact CD2-CD2 3.15Å; L101-F105 HydrophobicContact CD2-CE2 3.55Å; L101-F105 HydrophobicContact CD2-CG 3.53Å; L101-F105 HydrophobicContact CD2-CZ 4.22Å; L101-F105 HydrophobicContact CG-CD2 3.92Å; L101-F105 HydrophobicContact CG-CE2 4.41Å; L101-F105 WeakPolarHBondContact O-CD2 3.35Å; L101-F105 VanDerWaalsContact O-CE2 3.26Å; L101-F105 WeakPolarHBondContact O-CE2 3.38Å; L101-V107 HydrophobicContact CB-CG1 4.44Å; L101-V107 HydrophobicContact CD1-CG1 4.01Å; L101-C121 HydrophobicContact CD1-CB 4.49Å
102	G	73.1	Confident	84.8	Confident	60 Å²	60	69 Å²	69	62%	0.619	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	-141.9	176.5	0	0	0	0	0	112.5	Q100	Q100-G102 PolarHBondContact O-N 2.98Å
103	S	75	Confident	84.4	Confident	104 Å²	104	70 Å²	70	73%	0.727	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.1	178.9	58.6	0	0	0	0	114.6	L101 F105	L101-S103 PolarHBondContact O-N 3Å; S103-F105 VanDerWaalsContact C-N 3.35Å
104	E	79.1	Confident	84.1	Confident	119 Å²	119	67.6 Å²	67.6	56%	0.556	39%	0.386	S	S	*	.	S	Bend	trans	-88.2	-0.8	-172.1	-64.2	-169.2	166.1	0	0	113.8	L101 R156 D157	L101-E104 PolarHBondContact O-N 2.72Å; E104-R156 CarbonylContact O-C 3.59Å; E104-R156 WeakPolarHBondContact O-CA 3.19Å; E104-D157 PolarHBondContact O-N 2.95Å
105	F	84.1	Confident	83.8	Confident	27 Å²	27	75.4 Å²	75.4	12%	0.118	41%	0.413	C	S	.	.	S	Bend	trans	-132.4	145	-176.4	-50.9	-75.7	0	0	0	112.3	L101 S103 V107 P124	L101-F105 HydrophobicContact CB-CB 4.5Å; L101-F105 HydrophobicContact CB-CD2 3.54Å; L101-F105 HydrophobicContact CB-CE2 4.17Å; L101-F105 HydrophobicContact CB-CG 4.38Å; L101-F105 HydrophobicContact CD2-CB 4.05Å; L101-F105 HydrophobicContact CD2-CD1 4.24Å; L101-F105 HydrophobicContact CD2-CD2 3.15Å; L101-F105 HydrophobicContact CD2-CE2 3.55Å; L101-F105 HydrophobicContact CD2-CG 3.53Å; L101-F105 HydrophobicContact CD2-CZ 4.22Å; L101-F105 HydrophobicContact CG-CD2 3.92Å; L101-F105 HydrophobicContact CG-CE2 4.41Å; L101-F105 WeakPolarHBondContact O-CD2 3.35Å; L101-F105 VanDerWaalsContact O-CE2 3.26Å; L101-F105 WeakPolarHBondContact O-CE2 3.38Å; S103-F105 VanDerWaalsContact C-N 3.35Å; F105-V107 HydrophobicContact CB-CG1 4.33Å; F105-V107 PolarHBondContact O-N 3.05Å; F105-V107 VanDerWaalsContact O-N 3.12Å; F105-P124 HydrophobicContact CD1-CB 3.42Å; F105-P124 VanDerWaalsContact CD1-CB 3.42Å; F105-P124 HydrophobicContact CD1-CG 3.39Å; F105-P124 HydrophobicContact CE1-CB 3.26Å; F105-P124 HydrophobicContact CE1-CG 3.34Å; F105-P124 HydrophobicContact CG-CG 4.34Å; F105-P124 HydrophobicContact CZ-CB 4.46Å; F105-P124 HydrophobicContact CZ-CG 4.28Å
106	F	85.4	Confident	83.7	Confident	54 Å²	54	83.2 Å²	83.2	24%	0.237	45%	0.447	C	S	.	.			trans	-71.6	106	169.2	-60.6	-78.6	0	0	0	109.4	C121 L122 F155 R156 D157 R169	F106-C121 CarbonylContact O-C 3.35Å; F106-C121 WeakPolarHBondContact O-CA 3.32Å; F106-C121 WeakPolarHBondContact O-CB 3.36Å; F106-L122 HydrophobicContact CB-CB 4.03Å; F106-L122 HydrophobicContact CB-CD1 3.78Å; F106-L122 HydrophobicContact CB-CG 4.01Å; F106-L122 HydrophobicContact CD2-CB 4.5Å; F106-L122 HydrophobicContact CD2-CD1 3.95Å; F106-L122 HydrophobicContact CG-CD1 3.93Å; F106-L122 PolarHBondContact O-N 3.32Å; F106-F155 HydrophobicContact CD2-CB 3.91Å; F106-F155 HydrophobicContact CE2-CB 4.26Å; F106-R156 VanDerWaalsContact CE2-O 3.22Å; F106-R156 WeakPolarHBondContact CE2-O 2.93Å; F106-D157 HydrophobicContact CD1-CB 4.19Å; F106-D157 HydrophobicContact CD2-CB 4.36Å; F106-D157 HydrophobicContact CE1-CB 4.07Å; F106-D157 HydrophobicContact CE2-CB 4.26Å; F106-D157 HydrophobicContact CG-CB 4.35Å; F106-D157 HydrophobicContact CZ-CB 4.12Å; F106-R169 HydrophobicContact CE2-CB 4.48Å; F106-R169 HydrophobicContact CZ-CB 4.37Å
107	V	86.5	Confident	83.5	Confident	53 Å²	53	82.3 Å²	82.3	32%	0.321	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.2	177	-62.8	0	0	0	0	110.1	L101 F105 V109 F120 C121	L101-V107 HydrophobicContact CB-CG1 4.44Å; L101-V107 HydrophobicContact CD1-CG1 4.01Å; F105-V107 HydrophobicContact CB-CG1 4.33Å; F105-V107 PolarHBondContact O-N 3.05Å; F105-V107 VanDerWaalsContact O-N 3.12Å; V107-V109 HydrophobicContact CB-CG1 4.36Å; V107-V109 HydrophobicContact CG2-CG1 4.11Å; V107-F120 CarbonylContact C-O 3.59Å; V107-F120 WeakPolarHBondContact CA-O 3.46Å; V107-C121 HydrophobicContact CG1-CB 3.87Å
108	T	81.8	Confident	83.5	Confident	53 Å²	53	88.3 Å²	88.3	33%	0.325	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	106.7	166.1	57.5	0	0	0	0	108.1	F112 E119 F120	T108-F112 WeakPolarHBondContact CB-O 3.32Å; T108-E119 VanDerWaalsContact O-CA 3.3Å; T108-E119 WeakPolarHBondContact O-CA 3.42Å; T108-E119 WeakPolarHBondContact O-CB 3.38Å; T108-E119 VanDerWaalsContact O-CG 3.28Å; T108-E119 WeakPolarHBondContact O-CG 3.31Å; T108-F120 PolarHBondContact N-O 3.05Å; T108-F120 PolarHBondContact OG1-N 2.92Å; T108-F120 PolarHBondContact OG1-O 3.07Å
109	V	78.6	Confident	83.5	Confident	59 Å²	59	88.3 Å²	88.3	36%	0.358	46%	0.461	S	S	.	.			trans	-118	156.2	175.4	-64.6	0	0	0	0	109.7	W98 V107 F112 A113 E119	W98-V109 HydrophobicContact CZ2-CG1 4.39Å; V107-V109 HydrophobicContact CB-CG1 4.36Å; V107-V109 HydrophobicContact CG2-CG1 4.11Å; V109-F112 CarbonylContact O-C 3.58Å; V109-F112 WeakPolarHBondContact O-CA 3.01Å; V109-F112 PolarHBondContact O-N 3.25Å; V109-A113 PolarHBondContact O-N 2.99Å; V109-E119 WeakPolarHBondContact CA-OE1 3.46Å
110	R	76.4	Confident	83.9	Confident	176 Å²	176	87 Å²	87	66%	0.664	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	139.5	177.6	-69.7	-174.6	-177.2	-110.2	-1	111.6	A113 G117 E119	R110-A113 HydrophobicContact CG-CB 4.05Å; R110-G117 PolarHBondContact NH2-O 3.39Å; R110-E119 PolarHBondContact N-OE1 2.88Å; R110-E119 VanDerWaalsContact N-OE1 3.13Å
111	P	77.9	Confident	84.3	Confident	115 Å²	115	81.9 Å²	81.9	75%	0.747	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.7	-0.8	4.7	34.9	-36.5	0	0	0	115	A113	P111-A113 VanDerWaalsContact C-N 3.27Å; P111-A113 PolarHBondContact O-N 3.2Å
112	F	84.5	Confident	85.3	Confident	167 Å²	167	84 Å²	84	73%	0.732	42%	0.422	S	S	*	.	S	Bend	trans	-90	21.9	-178.1	-52.5	-75.5	0	0	0	113.8	T108 V109	T108-F112 WeakPolarHBondContact CB-O 3.32Å; V109-F112 CarbonylContact O-C 3.58Å; V109-F112 WeakPolarHBondContact O-CA 3.01Å; V109-F112 PolarHBondContact O-N 3.25Å
113	A	85.6	Confident	86.2	Confident	20 Å²	20	81.2 Å²	81.2	17%	0.165	39%	0.393	C	S	.	.	S	Bend	trans	-65	171.9	171	0	0	0	0	0	110.8	V109 R110 P111 E119	V109-A113 PolarHBondContact O-N 2.99Å; R110-A113 HydrophobicContact CG-CB 4.05Å; P111-A113 VanDerWaalsContact C-N 3.27Å; P111-A113 PolarHBondContact O-N 3.2Å; A113-E119 HydrophobicContact CB-CG 4.13Å
114	D	88	Confident	87.1	Confident	43 Å²	43	76.3 Å²	76.3	23%	0.23	36%	0.358	C	S	.	.			trans	-62.2	172.7	174.5	91.4	-14.8	0	0	0	112.1	K116 G117 R118 F120	D114-K116 PolarHBondContact O-N 2.88Å; D114-K116 VanDerWaalsContact OD1-C 3.29Å; D114-K116 VanDerWaalsContact OD1-CA 3.31Å; D114-K116 WeakPolarHBondContact OD1-CA 3.47Å; D114-K116 PolarHBondContact OD1-N 3.17Å; D114-G117 PolarHBondContact O-N 3.24Å; D114-G117 PolarHBondContact OD1-N 3.41Å; D114-R118 PolarHBondContact N-O 3.24Å; D114-R118 WeakPolarHBondContact OD1-CB 3.41Å; D114-R118 PolarHBondContact OD1-N 3.12Å; D114-R118 IonicContact OD1-NE 3.47Å; D114-R118 IonicContact OD2-CZ 2.9Å; D114-R118 IonicContact OD2-NE 3.34Å; D114-R118 PolarHBondContact OD2-NE 3.05Å; D114-R118 IonicContact OD2-NH2 2.74Å; D114-R118 PolarHBondContact OD2-NH2 3.5Å; D114-F120 HydrophobicContact CB-CD2 4.48Å; D114-F120 HydrophobicContact CB-CE2 4.03Å
115	R	90	Very high	87.9	Confident	264 Å²	264	71.2 Å²	71.2	100%	0.996	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-15.4	-178.4	-64.5	-175.6	178.9	-174	-0.4	114.8
116	K	91.3	Very high	88.5	Confident	169 Å²	169	70 Å²	70	74%	0.735	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	8.5	177	-62.7	-172.2	178.3	-174	0	112.4	D114 R118	D114-K116 PolarHBondContact O-N 2.88Å; D114-K116 VanDerWaalsContact OD1-C 3.29Å; D114-K116 VanDerWaalsContact OD1-CA 3.31Å; D114-K116 WeakPolarHBondContact OD1-CA 3.47Å; D114-K116 PolarHBondContact OD1-N 3.17Å; K116-R118 VanDerWaalsContact C-N 3.31Å; K116-R118 HydrophobicContact CB-CG 4.49Å
117	G	89.6	Confident	89.1	Confident	21 Å²	21	67.7 Å²	67.7	22%	0.216	32%	0.32	C	S	.	.	S	Bend	trans	72.9	20.6	-178	0	0	0	0	0	114.3	R110 D114	R110-G117 PolarHBondContact NH2-O 3.39Å; D114-G117 PolarHBondContact O-N 3.24Å; D114-G117 PolarHBondContact OD1-N 3.41Å
118	R	91.7	Very high	89.6	Confident	135 Å²	135	65.1 Å²	65.1	51%	0.509	31%	0.305	S	S	.	.			trans	-85.1	141.5	172.6	-60.1	177.1	-66.9	179.2	3.6	110	D114 K116 F120	D114-R118 PolarHBondContact N-O 3.24Å; D114-R118 WeakPolarHBondContact OD1-CB 3.41Å; D114-R118 PolarHBondContact OD1-N 3.12Å; D114-R118 IonicContact OD1-NE 3.47Å; D114-R118 IonicContact OD2-CZ 2.9Å; D114-R118 IonicContact OD2-NE 3.34Å; D114-R118 PolarHBondContact OD2-NE 3.05Å; D114-R118 IonicContact OD2-NH2 2.74Å; D114-R118 PolarHBondContact OD2-NH2 3.5Å; K116-R118 VanDerWaalsContact C-N 3.31Å; K116-R118 HydrophobicContact CB-CG 4.49Å; R118-F120 HydrophobicContact CB-CE2 3.66Å; R118-F120 HydrophobicContact CB-CZ 4.01Å
119	E	92	Very high	90.3	Very high	27 Å²	27	63.6 Å²	63.6	13%	0.126	30%	0.296	C	S	.	.			trans	-107.8	140.3	-176.7	-63.5	-173.4	163.6	0	0	110.3	R89 W98 T108 V109 R110 A113	R89-E119 HydrophobicContact CB-CB 4.2Å; R89-E119 WeakPolarHBondContact CD-OE2 3.41Å; R89-E119 IonicContact CZ-OE2 3.67Å; R89-E119 PolarHBondContact N-O 3.39Å; R89-E119 IonicContact NE-OE2 2.87Å; R89-E119 IonicContact NH1-OE1 2.9Å; R89-E119 IonicContact NH1-OE2 2.73Å; R89-E119 PolarHBondContact NH1-OE2 3.12Å; W98-E119 HydrophobicContact CH2-CB 4.24Å; W98-E119 HydrophobicContact CZ2-CB 4.12Å; T108-E119 VanDerWaalsContact O-CA 3.3Å; T108-E119 WeakPolarHBondContact O-CA 3.42Å; T108-E119 WeakPolarHBondContact O-CB 3.38Å; T108-E119 VanDerWaalsContact O-CG 3.28Å; T108-E119 WeakPolarHBondContact O-CG 3.31Å; V109-E119 WeakPolarHBondContact CA-OE1 3.46Å; R110-E119 PolarHBondContact N-OE1 2.88Å; R110-E119 VanDerWaalsContact N-OE1 3.13Å; A113-E119 HydrophobicContact CB-CG 4.13Å
120	F	92.6	Very high	91.3	Very high	46 Å²	46	60.8 Å²	60.8	20%	0.202	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.3	-176.9	-62.1	-87.1	0	0	0	109.9	L86 C87 D88 V107 T108 D114 R118	L86-F120 HydrophobicContact CB-CD1 4.41Å; L86-F120 HydrophobicContact CD2-CB 4.4Å; C87-F120 CarbonylContact O-C 3.46Å; C87-F120 WeakPolarHBondContact O-CA 3.42Å; D88-F120 HydrophobicContact CB-CE1 4.47Å; V107-F120 CarbonylContact C-O 3.59Å; V107-F120 WeakPolarHBondContact CA-O 3.46Å; T108-F120 PolarHBondContact N-O 3.05Å; T108-F120 PolarHBondContact OG1-N 2.92Å; T108-F120 PolarHBondContact OG1-O 3.07Å; D114-F120 HydrophobicContact CB-CD2 4.48Å; D114-F120 HydrophobicContact CB-CE2 4.03Å; R118-F120 HydrophobicContact CB-CE2 3.66Å; R118-F120 HydrophobicContact CB-CZ 4.01Å
121	C	93	Very high	92.3	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.3	161.2	68.6	0	0	0	0	110.4	C87 W98 L101 F106 V107 C123	C87-C121 VanDerWaalsContact CB-SG 3.53Å; C87-C121 PolarHBondContact N-O 3.48Å; C87-C121 PolarHBondContact O-N 3.2Å; W98-C121 HydrophobicContact CZ3-CB 4.15Å; L101-C121 HydrophobicContact CD1-CB 4.49Å; F106-C121 CarbonylContact O-C 3.35Å; F106-C121 WeakPolarHBondContact O-CA 3.32Å; F106-C121 WeakPolarHBondContact O-CB 3.36Å; V107-C121 HydrophobicContact CG1-CB 3.87Å; C121-C123 PolarHBondContact O-N 3.01Å
122	L	94.3	Very high	93.2	Very high	52 Å²	52	47.8 Å²	47.8	27%	0.272	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	120.9	161.8	-66	175.8	0	0	0	107.3	S85 L86 F106 P124 F155	S85-L122 CarbonylContact O-C 3.48Å; S85-L122 WeakPolarHBondContact O-CA 3.09Å; L86-L122 HydrophobicContact CD2-CD2 3.8Å; F106-L122 HydrophobicContact CB-CB 4.03Å; F106-L122 HydrophobicContact CB-CD1 3.78Å; F106-L122 HydrophobicContact CB-CG 4.01Å; F106-L122 HydrophobicContact CD2-CB 4.5Å; F106-L122 HydrophobicContact CD2-CD1 3.95Å; F106-L122 HydrophobicContact CG-CD1 3.93Å; F106-L122 PolarHBondContact O-N 3.32Å; L122-P124 WeakPolarHBondContact O-CD 3.36Å; L122-F155 HydrophobicContact CB-CB 3.52Å; L122-F155 HydrophobicContact CB-CD2 3.86Å; L122-F155 HydrophobicContact CB-CG 3.72Å; L122-F155 HydrophobicContact CD1-CB 4.12Å; L122-F155 HydrophobicContact CD1-CD1 3.89Å; L122-F155 HydrophobicContact CD1-CE1 4.47Å; L122-F155 HydrophobicContact CD1-CG 3.91Å; L122-F155 HydrophobicContact CG-CB 4.45Å; L122-F155 HydrophobicContact CG-CG 4.32Å
123	C	93.8	Very high	93.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.203	C	C	.	.			trans	-62.7	116.8	-168.7	-59.3	0	0	0	0	111.3	S84 S85 C87 C121 H126 F155	S84-C123 PolarHBondContact O-SG 3.15Å; S85-C123 PolarHBondContact O-N 2.91Å; S85-C123 PolarHBondContact O-SG 2.92Å; C87-C123 VanDerWaalsContact CA-SG 3.56Å; C87-C123 HydrophobicContact CB-CB 4.28Å; C87-C123 WeakPolarHBondContact CB-SG 3.45Å; C87-C123 PolarHBondContact N-SG 3.49Å; C87-C123 WeakPolarHBondContact SG-CB 3.26Å; C87-C123 CovalentContact SG-SG 2.03Å; C87-C123 PolarHBondContact SG-SG 3.02Å; C121-C123 PolarHBondContact O-N 3.01Å; C123-H126 WeakPolarHBondContact CB-CE1 3.31Å; C123-H126 WeakPolarHBondContact CB-NE2 3.32Å; C123-H126 PolarHBondContact SG-NE2 3.48Å; C123-H126 VanDerWaalsContact SG-NE2 3.44Å; C123-F155 PolarHBondContact O-N 3.48Å
124	P	93.7	Very high	94.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	20%	0.197	C	C	.	.	S	Bend	trans	-77.6	-28.5	167.9	32.9	-36.6	0	0	0	111.9	W92 F105 L122 F155 R156	W92-P124 HydrophobicContact CH2-CG 3.57Å; W92-P124 HydrophobicContact CZ2-CG 3.99Å; F105-P124 HydrophobicContact CD1-CB 3.42Å; F105-P124 VanDerWaalsContact CD1-CB 3.42Å; F105-P124 HydrophobicContact CD1-CG 3.39Å; F105-P124 HydrophobicContact CE1-CB 3.26Å; F105-P124 HydrophobicContact CE1-CG 3.34Å; F105-P124 HydrophobicContact CG-CG 4.34Å; F105-P124 HydrophobicContact CZ-CB 4.46Å; F105-P124 HydrophobicContact CZ-CG 4.28Å; L122-P124 WeakPolarHBondContact O-CD 3.36Å; P124-F155 WeakPolarHBondContact CA-O 3.19Å; P124-F155 WeakPolarHBondContact CB-O 3.44Å; P124-R156 HydrophobicContact CB-CG 4.3Å
125	T	94.9	Very high	94.8	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.08	20%	0.199	C	C	.	.			trans	-150.5	169.2	179.9	74.5	0	0	0	0	108.1	R97 E127 I218	R97-T125 PolarHBondContact NH1-OG1 2.86Å; T125-E127 WeakPolarHBondContact CB-OE2 3.38Å; T125-E127 PolarHBondContact OG1-OE2 3.03Å; T125-I218 HydrophobicContact CG2-CD1 4.06Å
126	H	96.9	Very high	95.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.			trans	-130.1	16.7	-174	-70.9	83.5	0	0	0	114.6	L83 S84 C123 E128 S129 I130 Q150 K154 Y177	L83-H126 VanDerWaalsContact CB-CD2 3.49Å; L83-H126 WeakPolarHBondContact CB-CD2 3.44Å; L83-H126 HydrophobicContact CD1-CB 3.66Å; S84-H126 PolarHBondContact O-CD2 3.43Å; S84-H126 PolarHBondContact O-NE2 3.35Å; C123-H126 WeakPolarHBondContact CB-CE1 3.31Å; C123-H126 WeakPolarHBondContact CB-NE2 3.32Å; C123-H126 PolarHBondContact SG-NE2 3.48Å; C123-H126 VanDerWaalsContact SG-NE2 3.44Å; H126-E128 VanDerWaalsContact C-N 3.25Å; H126-E128 PolarHBondContact O-N 3.06Å; H126-S129 PolarHBondContact O-N 2.86Å; H126-I130 WeakPolarHBondContact O-CG2 3.15Å; H126-I130 PolarHBondContact O-N 3.02Å; H126-Q150 PolarHBondContact ND1-NE2 3.24Å; H126-Q150 VanDerWaalsContact ND1-NE2 3.11Å; H126-K154 PolarHBondContact CE1-NZ 3.29Å; H126-K154 VanDerWaalsContact CE1-NZ 3.28Å; H126-K154 PolarHBondContact ND1-NZ 3.2Å; H126-Y177 HydrophobicContact CB-CE2 4.32Å; H126-Y177 WeakPolarHBondContact CB-OH 3.13Å; H126-Y177 PolarHBondContact N-OH 2.85Å
127	E	98	Very high	95.2	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.028	16%	0.163	C	C	.	.	H	α-helix	trans	-54	-43.5	177.5	-67.6	71.9	-158.2	0	0	111.2	R97 T125 I130 T131 Y177 L279 Y283 C305	R97-E127 IonicContact NH1-OE2 2.64Å; T125-E127 WeakPolarHBondContact CB-OE2 3.38Å; T125-E127 PolarHBondContact OG1-OE2 3.03Å; E127-I130 WeakPolarHBondContact O-CG2 3.34Å; E127-T131 WeakPolarHBondContact O-CB 3.27Å; E127-T131 PolarHBondContact O-N 2.96Å; E127-T131 VanDerWaalsContact O-N 3.15Å; E127-T131 PolarHBondContact O-OG1 2.56Å; E127-Y177 HydrophobicContact CG-CE1 3.99Å; E127-L279 HydrophobicContact CG-CD1 4.13Å; E127-Y283 HydrophobicContact CB-CD1 3.67Å; E127-Y283 HydrophobicContact CB-CD2 4.13Å; E127-Y283 HydrophobicContact CB-CE1 3.47Å; E127-Y283 VanDerWaalsContact CB-CE1 3.47Å; E127-Y283 HydrophobicContact CB-CE2 3.99Å; E127-Y283 HydrophobicContact CB-CG 3.99Å; E127-Y283 HydrophobicContact CG-CD2 4.43Å; E127-Y283 HydrophobicContact CG-CE1 4.22Å; E127-Y283 HydrophobicContact CG-CE2 3.99Å; E127-C305 HydrophobicContact CG-CB 4.35Å; E127-C305 PolarHBondContact OE1-SG 2.73Å; E127-C305 VanDerWaalsContact OE1-SG 3.39Å
128	E	97.4	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-49.1	177.2	-69.6	85	175.9	0	0	112.4	W92 S95 R97 H126 T131 N132 Y283 L287	W92-E128 HydrophobicContact CD2-CG 4.26Å; W92-E128 HydrophobicContact CG-CG 4.18Å; S95-E128 WeakPolarHBondContact CB-OE1 3.21Å; S95-E128 WeakPolarHBondContact OG-CG 3.45Å; S95-E128 PolarHBondContact OG-OE1 3.33Å; R97-E128 WeakPolarHBondContact CD-OE1 3.42Å; R97-E128 IonicContact CZ-OE1 3.82Å; R97-E128 IonicContact NE-OE1 2.92Å; R97-E128 IonicContact NH1-OE1 3.64Å; R97-E128 PolarHBondContact NH1-OE1 2.84Å; R97-E128 IonicContact NH1-OE2 3.33Å; R97-E128 PolarHBondContact NH1-OE2 2.83Å; R97-E128 VanDerWaalsContact NH1-OE2 3.15Å; H126-E128 VanDerWaalsContact C-N 3.25Å; H126-E128 PolarHBondContact O-N 3.06Å; E128-T131 PolarHBondContact O-N 3.43Å; E128-N132 VanDerWaalsContact O-CB 3.29Å; E128-N132 WeakPolarHBondContact O-CB 3.27Å; E128-N132 PolarHBondContact O-N 3.15Å; E128-Y283 HydrophobicContact CG-CD1 4.36Å; E128-Y283 HydrophobicContact CG-CE1 4.42Å; E128-Y283 WeakPolarHBondContact OE1-CE1 3.36Å; E128-L287 HydrophobicContact CB-CD1 4.46Å
129	S	97	Very high	95.6	Very high	20 Å²	20	35.8 Å²	35.8	14%	0.14	17%	0.173	C	C	.	.	H	α-helix	trans	-64.1	-44.8	-175.8	-63.5	0	0	0	0	112.1	C87 H126 T131 L133	C87-S129 PolarHBondContact SG-OG 3.26Å; H126-S129 PolarHBondContact O-N 2.86Å; S129-T131 VanDerWaalsContact C-N 3.34Å; S129-L133 PolarHBondContact O-N 2.84Å
130	I	97.9	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-37	178.3	-164	73.5	0	0	0	111.2	L81 L83 H126 E127 L133 L134 L148 Y177 F179	L81-I130 HydrophobicContact CD1-CD1 4.23Å; L81-I130 HydrophobicContact CD2-CD1 4Å; L83-I130 HydrophobicContact CD1-CB 3.93Å; L83-I130 HydrophobicContact CD1-CD1 3.91Å; L83-I130 HydrophobicContact CD1-CG1 4.49Å; L83-I130 HydrophobicContact CD2-CD1 4.06Å; L83-I130 HydrophobicContact CG-CD1 4.44Å; H126-I130 WeakPolarHBondContact O-CG2 3.15Å; H126-I130 PolarHBondContact O-N 3.02Å; E127-I130 WeakPolarHBondContact O-CG2 3.34Å; I130-L133 HydrophobicContact CD1-CD2 4.26Å; I130-L133 WeakPolarHBondContact O-CB 3.12Å; I130-L133 PolarHBondContact O-N 3.47Å; I130-L134 PolarHBondContact O-N 3.39Å; I130-L134 VanDerWaalsContact O-N 3.09Å; I130-L148 HydrophobicContact CD1-CB 4.24Å; I130-L148 HydrophobicContact CD1-CD1 3.88Å; I130-L148 HydrophobicContact CG1-CD1 4.39Å; I130-Y177 HydrophobicContact CB-CD2 4.16Å; I130-Y177 HydrophobicContact CB-CE2 4.45Å; I130-Y177 HydrophobicContact CB-CG 4.38Å; I130-Y177 HydrophobicContact CG1-CD2 4.03Å; I130-Y177 HydrophobicContact CG1-CG 4.27Å; I130-Y177 HydrophobicContact CG2-CD1 3.83Å; I130-Y177 HydrophobicContact CG2-CD2 3.95Å; I130-Y177 HydrophobicContact CG2-CE1 4.19Å; I130-Y177 HydrophobicContact CG2-CE2 4.28Å; I130-Y177 HydrophobicContact CG2-CG 3.72Å; I130-F179 HydrophobicContact CB-CZ 4.47Å; I130-F179 HydrophobicContact CG1-CE2 4.13Å; I130-F179 HydrophobicContact CG1-CZ 3.7Å; I130-F179 HydrophobicContact CG2-CZ 4Å
131	T	98.2	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.4	-41.2	179.5	-55.9	0	0	0	0	111	E127 E128 S129 L133 L134 S135 L287 A289 M303	E127-T131 WeakPolarHBondContact O-CB 3.27Å; E127-T131 PolarHBondContact O-N 2.96Å; E127-T131 VanDerWaalsContact O-N 3.15Å; E127-T131 PolarHBondContact O-OG1 2.56Å; E128-T131 PolarHBondContact O-N 3.43Å; S129-T131 VanDerWaalsContact C-N 3.34Å; T131-L133 PolarHBondContact O-N 3.5Å; T131-L134 PolarHBondContact O-N 2.75Å; T131-L134 VanDerWaalsContact O-N 3.12Å; T131-S135 PolarHBondContact O-N 3.19Å; T131-L287 HydrophobicContact CG2-CB 3.7Å; T131-L287 HydrophobicContact CG2-CD1 3.71Å; T131-L287 HydrophobicContact CG2-CG 4.34Å; T131-A289 HydrophobicContact CG2-CB 3.49Å; T131-A289 VanDerWaalsContact CG2-CB 3.49Å; T131-M303 HydrophobicContact CG2-SD 4.18Å; T131-M303 WeakPolarHBondContact OG1-CE 3.39Å
132	N	97.6	Very high	96.2	Very high	18 Å²	18	45 Å²	45	10%	0.096	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-24.9	174.2	-171.8	39.8	0	0	0	112.8	S91 E128 S135 K136 L287	S91-N132 PolarHBondContact OG-ND2 3.08Å; E128-N132 VanDerWaalsContact O-CB 3.29Å; E128-N132 WeakPolarHBondContact O-CB 3.27Å; E128-N132 PolarHBondContact O-N 3.15Å; N132-S135 PolarHBondContact O-OG 3.4Å; N132-K136 PolarHBondContact ND2-NZ 3.35Å; N132-K136 WeakPolarHBondContact O-CD 3.34Å; N132-K136 VanDerWaalsContact O-CE 3.31Å; N132-K136 WeakPolarHBondContact O-CE 3.28Å; N132-L287 HydrophobicContact CB-CD2 4.31Å
133	L	97.1	Very high	96.3	Very high	86 Å²	86	46.9 Å²	46.9	45%	0.45	23%	0.228	S	C	.	.	H	α-helix	trans	-67.6	-46.2	168.8	177	65.2	0	0	0	110.5	L83 S129 I130 T131 K136	L83-L133 HydrophobicContact CD2-CD2 4.35Å; S129-L133 PolarHBondContact O-N 2.84Å; I130-L133 HydrophobicContact CD1-CD2 4.26Å; I130-L133 WeakPolarHBondContact O-CB 3.12Å; I130-L133 PolarHBondContact O-N 3.47Å; T131-L133 PolarHBondContact O-N 3.5Å; L133-K136 PolarHBondContact O-N 3.09Å
134	L	97.2	Very high	96.5	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-71.8	-27.8	-179.1	-69.8	-161.7	0	0	0	114.4	I130 T131 K136 A137 L139 L146 L148 F179 A289	I130-L134 PolarHBondContact O-N 3.39Å; I130-L134 VanDerWaalsContact O-N 3.09Å; T131-L134 PolarHBondContact O-N 2.75Å; T131-L134 VanDerWaalsContact O-N 3.12Å; L134-K136 PolarHBondContact O-N 3.41Å; L134-A137 WeakPolarHBondContact O-CB 3.34Å; L134-A137 PolarHBondContact O-N 3.24Å; L134-L139 HydrophobicContact CB-CD1 4.15Å; L134-L139 HydrophobicContact CD1-CD1 3.92Å; L134-L139 HydrophobicContact CD2-CD1 4.16Å; L134-L139 HydrophobicContact CG-CD1 4.31Å; L134-L146 HydrophobicContact CD1-CD2 4.32Å; L134-L146 HydrophobicContact CD2-CD2 4.18Å; L134-L148 HydrophobicContact CD2-CD1 4.17Å; L134-F179 HydrophobicContact CD1-CB 4.24Å; L134-F179 HydrophobicContact CD1-CD1 3.36Å; L134-F179 HydrophobicContact CD1-CD2 3.46Å; L134-F179 VanDerWaalsContact CD1-CD2 3.46Å; L134-F179 HydrophobicContact CD1-CE1 3.37Å; L134-F179 HydrophobicContact CD1-CE2 3.5Å; L134-F179 HydrophobicContact CD1-CG 3.38Å; L134-F179 HydrophobicContact CD1-CZ 3.44Å; L134-F179 VanDerWaalsContact CD1-CZ 3.44Å; L134-F179 HydrophobicContact CG-CE1 4.32Å; L134-F179 HydrophobicContact CG-CE2 4.4Å; L134-F179 HydrophobicContact CG-CZ 4.19Å; L134-A289 HydrophobicContact CB-CB 4.21Å
135	S	97	Very high	96.7	Very high	38 Å²	38	51.8 Å²	51.8	27%	0.266	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.6	174.5	68.9	0	0	0	0	113.6	T131 N132 L287	T131-S135 PolarHBondContact O-N 3.19Å; N132-S135 PolarHBondContact O-OG 3.4Å; S135-L287 WeakPolarHBondContact CB-O 3.49Å
136	K	95.8	Very high	96.9	Very high	151 Å²	151	52.4 Å²	52.4	66%	0.657	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.2	176.3	-60.5	165.2	-167.7	163.1	0	112.4	N132 L133 L134	N132-K136 PolarHBondContact ND2-NZ 3.35Å; N132-K136 WeakPolarHBondContact O-CD 3.34Å; N132-K136 VanDerWaalsContact O-CE 3.31Å; N132-K136 WeakPolarHBondContact O-CE 3.28Å; L133-K136 PolarHBondContact O-N 3.09Å; L134-K136 PolarHBondContact O-N 3.41Å
137	A	93.8	Very high	97	Very high	40 Å²	40	53 Å²	53	33%	0.331	26%	0.264	S	S	.	.	S	Bend	trans	-87.6	145.7	179.8	0	0	0	0	0	111	L134 L139	L134-A137 WeakPolarHBondContact O-CB 3.34Å; L134-A137 PolarHBondContact O-N 3.24Å; A137-L139 HydrophobicContact CB-CD2 3.95Å; A137-L139 HydrophobicContact CB-CG 4.07Å; A137-L139 PolarHBondContact O-N 2.83Å
138	R	92.9	Very high	97	Very high	231 Å²	231	53.7 Å²	53.7	87%	0.872	27%	0.267	S	S	*	.			trans	-90.1	91.3	167.6	-68.3	-175.9	-177.1	178.3	0.7	108.6
139	L	96.2	Very high	97.1	Very high	13 Å²	13	54.1 Å²	54.1	7%	0.068	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.7	-180	-57.9	175.3	0	0	0	111	L134 A137 M144 L146 F291 Q292	L134-L139 HydrophobicContact CB-CD1 4.15Å; L134-L139 HydrophobicContact CD1-CD1 3.92Å; L134-L139 HydrophobicContact CD2-CD1 4.16Å; L134-L139 HydrophobicContact CG-CD1 4.31Å; A137-L139 HydrophobicContact CB-CD2 3.95Å; A137-L139 HydrophobicContact CB-CG 4.07Å; A137-L139 PolarHBondContact O-N 2.83Å; L139-M144 HydrophobicContact CB-CE 4.02Å; L139-M144 HydrophobicContact CD1-CE 4Å; L139-L146 HydrophobicContact CD2-CD2 4.35Å; L139-F291 HydrophobicContact CB-CB 3.84Å; L139-F291 CarbonylContact O-C 3.5Å; L139-F291 WeakPolarHBondContact O-CA 2.96Å; L139-Q292 PolarHBondContact O-N 2.82Å
140	S	96.9	Very high	97.1	Very high	40 Å²	40	53.2 Å²	53.2	28%	0.28	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	155.9	169.9	70.8	0	0	0	0	110.8	K142 Q143	S140-K142 PolarHBondContact O-N 3.38Å; S140-Q143 PolarHBondContact O-N 2.8Å
141	V	97.4	Very high	97.2	Very high	35 Å²	35	54.4 Å²	54.4	21%	0.212	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-55.2	-25.5	175	68.1	0	0	0	0	113.3	Q143 M144 K181 F291 Q292 T294	V141-Q143 PolarHBondContact O-N 3.48Å; V141-M144 WeakPolarHBondContact O-CB 3.34Å; V141-M144 PolarHBondContact O-N 2.82Å; V141-M144 VanDerWaalsContact O-N 3.11Å; V141-K181 HydrophobicContact CG2-CB 4.19Å; V141-K181 HydrophobicContact CG2-CD 4.09Å; V141-F291 HydrophobicContact CB-CD2 3.9Å; V141-F291 HydrophobicContact CB-CE2 3.83Å; V141-F291 HydrophobicContact CG2-CD2 4.38Å; V141-F291 HydrophobicContact CG2-CE2 3.89Å; V141-Q292 PolarHBondContact N-O 2.91Å; V141-T294 HydrophobicContact CG1-CG2 4.06Å
142	K	96.7	Very high	97.2	Very high	194 Å²	194	55 Å²	55	84%	0.843	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-66.3	-19.4	178.1	-62.8	-177.4	-179.7	179.2	0	113.5	S140 M144	S140-K142 PolarHBondContact O-N 3.38Å; K142-M144 VanDerWaalsContact C-N 3.34Å
143	Q	96.8	Very high	97.1	Very high	90 Å²	90	55.3 Å²	55.3	42%	0.421	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-87.3	-5.1	176.8	-65.2	170	-90.7	0	0	112.7	S140 V141 P145 L146	S140-Q143 PolarHBondContact O-N 2.8Å; V141-Q143 PolarHBondContact O-N 3.48Å; Q143-P145 CarbonylContact O-C 3.52Å; Q143-P145 VanDerWaalsContact O-C 3.31Å; Q143-L146 PolarHBondContact O-N 2.73Å
144	M	97.2	Very high	97.1	Very high	28 Å²	28	51.2 Å²	51.2	14%	0.138	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-92.1	139.9	-175.3	-57.4	-62.1	155.2	0	0	111.4	L139 V141 K142 L146 F179 K181 F291 V301	L139-M144 HydrophobicContact CB-CE 4.02Å; L139-M144 HydrophobicContact CD1-CE 4Å; V141-M144 WeakPolarHBondContact O-CB 3.34Å; V141-M144 PolarHBondContact O-N 2.82Å; V141-M144 VanDerWaalsContact O-N 3.11Å; K142-M144 VanDerWaalsContact C-N 3.34Å; M144-L146 HydrophobicContact SD-CB 4.3Å; M144-F179 HydrophobicContact SD-CB 4.2Å; M144-K181 HydrophobicContact CB-CB 4.37Å; M144-K181 HydrophobicContact CG-CB 4.44Å; M144-F291 HydrophobicContact CE-CB 3.86Å; M144-F291 HydrophobicContact CE-CG 4.32Å; M144-V301 HydrophobicContact CE-CG1 3.92Å
145	P	98	Very high	97	Very high	76 Å²	76	52.3 Å²	52.3	49%	0.494	26%	0.261	S	S	.	.	S	Bend	cis	-72.6	134	-4.1	31.3	-35	0	0	0	111.8	Q143 F179 D180	Q143-P145 CarbonylContact O-C 3.52Å; Q143-P145 VanDerWaalsContact O-C 3.31Å; P145-F179 WeakPolarHBondContact CA-O 3.47Å; P145-D180 WeakPolarHBondContact CB-OD1 3.4Å
146	L	98.6	Very high	96.8	Very high	27 Å²	27	54.5 Å²	54.5	14%	0.141	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.1	171.5	176.3	63.6	0	0	0	108.3	L134 L139 Q143 M144 L148 F179	L134-L146 HydrophobicContact CD1-CD2 4.32Å; L134-L146 HydrophobicContact CD2-CD2 4.18Å; L139-L146 HydrophobicContact CD2-CD2 4.35Å; Q143-L146 PolarHBondContact O-N 2.73Å; M144-L146 HydrophobicContact SD-CB 4.3Å; L146-L148 HydrophobicContact CD1-CD2 3.9Å; L146-L148 HydrophobicContact CD1-CG 4.33Å; L146-L148 HydrophobicContact CD2-CD1 4.19Å; L146-L148 HydrophobicContact CD2-CG 4.34Å; L146-L148 HydrophobicContact CG-CD1 4.45Å; L146-L148 HydrophobicContact CG-CD2 4.18Å; L146-L148 HydrophobicContact CG-CG 4.06Å; L146-F179 HydrophobicContact CB-CB 4.28Å; L146-F179 HydrophobicContact CB-CD2 4.42Å; L146-F179 HydrophobicContact CD2-CD2 4.4Å; L146-F179 HydrophobicContact CG-CD2 4.34Å; L146-F179 PolarHBondContact N-O 2.73Å; L146-F179 WeakPolarHBondContact O-CD2 3.36Å; L146-F179 PolarHBondContact O-N 2.91Å
147	L	98.8	Very high	96.6	Very high	13 Å²	13	50.1 Å²	50.1	7%	0.068	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121	177.2	-62	-172.2	0	0	0	109.9	L76 A78 N79 L176 T189	L76-L147 HydrophobicContact CB-CD1 3.84Å; L76-L147 WeakPolarHBondContact O-CD1 3.16Å; A78-L147 WeakPolarHBondContact CA-O 3.49Å; A78-L147 HydrophobicContact CB-CB 3.67Å; A78-L147 HydrophobicContact CB-CD1 4.38Å; N79-L147 PolarHBondContact N-O 3.31Å; N79-L147 PolarHBondContact ND2-O 2.89Å; L147-L176 HydrophobicContact CD2-CD2 4.19Å; L147-T189 HydrophobicContact CD2-CG2 3.7Å
148	L	98.8	Very high	96.4	Very high	19 Å²	19	49.7 Å²	49.7	10%	0.099	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134	178.3	-58.9	-178.5	0	0	0	109	N79 L81 I130 L134 L146 L176 Y177 F179	N79-L148 HydrophobicContact CB-CD2 3.9Å; N79-L148 WeakPolarHBondContact O-CA 3.45Å; L81-L148 HydrophobicContact CD2-CB 3.79Å; L81-L148 HydrophobicContact CD2-CD1 3.92Å; L81-L148 HydrophobicContact CD2-CD2 4.08Å; L81-L148 HydrophobicContact CD2-CG 4.13Å; I130-L148 HydrophobicContact CD1-CB 4.24Å; I130-L148 HydrophobicContact CD1-CD1 3.88Å; I130-L148 HydrophobicContact CG1-CD1 4.39Å; L134-L148 HydrophobicContact CD2-CD1 4.17Å; L146-L148 HydrophobicContact CD1-CD2 3.9Å; L146-L148 HydrophobicContact CD1-CG 4.33Å; L146-L148 HydrophobicContact CD2-CD1 4.19Å; L146-L148 HydrophobicContact CD2-CG 4.34Å; L146-L148 HydrophobicContact CG-CD1 4.45Å; L146-L148 HydrophobicContact CG-CD2 4.18Å; L146-L148 HydrophobicContact CG-CG 4.06Å; L148-L176 CarbonylContact O-C 3.6Å; L148-Y177 PolarHBondContact N-O 2.73Å; L148-Y177 PolarHBondContact O-N 3.12Å; L148-F179 HydrophobicContact CB-CE2 4.45Å; L148-F179 HydrophobicContact CD1-CE2 4.07Å; L148-F179 HydrophobicContact CG-CE2 4.29Å
149	Y	98.8	Very high	96.1	Very high	10 Å²	10	42.4 Å²	42.4	4%	0.039	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157	179.4	83.2	-77.1	0	0	0	112.8	R70 M73 A78 N79 F80 L81 I151 K174 D175	R70-Y149 HydrophobicContact CG-CE2 4.2Å; M73-Y149 HydrophobicContact CB-CD1 4.13Å; M73-Y149 HydrophobicContact CB-CD2 4.29Å; M73-Y149 HydrophobicContact CB-CE1 3.82Å; M73-Y149 HydrophobicContact CB-CE2 3.99Å; M73-Y149 HydrophobicContact CB-CG 4.35Å; M73-Y149 HydrophobicContact CG-CD1 4.49Å; M73-Y149 HydrophobicContact CG-CD2 3.91Å; M73-Y149 HydrophobicContact CG-CE1 4.48Å; M73-Y149 HydrophobicContact CG-CE2 3.89Å; M73-Y149 HydrophobicContact CG-CG 4.21Å; A78-Y149 HydrophobicContact CB-CD1 3.69Å; A78-Y149 HydrophobicContact CB-CE1 4.16Å; A78-Y149 WeakPolarHBondContact O-CE1 3.38Å; N79-Y149 WeakPolarHBondContact O-CD1 3.37Å; N79-Y149 PolarHBondContact O-N 2.97Å; F80-Y149 CarbonylContact C-O 3.31Å; F80-Y149 WeakPolarHBondContact CA-O 3.47Å; F80-Y149 HydrophobicContact CB-CD1 4.41Å; F80-Y149 HydrophobicContact CB-CE1 3.72Å; F80-Y149 AromaticContact CD2-CD2 3.87Å; F80-Y149 HydrophobicContact CD2-CD2 3.87Å; F80-Y149 HydrophobicContact CD2-CE1 4.11Å; F80-Y149 AromaticContact CD2-CE2 3.41Å; F80-Y149 HydrophobicContact CD2-CE2 3.41Å; F80-Y149 VanDerWaalsContact CD2-CE2 3.41Å; F80-Y149 HydrophobicContact CD2-CG 4.4Å; F80-Y149 AromaticContact CD2-CZ 3.54Å; F80-Y149 HydrophobicContact CE2-CD2 4.43Å; F80-Y149 HydrophobicContact CE2-CE2 4.06Å; F80-Y149 HydrophobicContact CG-CE1 4.42Å; F80-Y149 HydrophobicContact CG-CE2 4.37Å; L81-Y149 PolarHBondContact N-O 2.88Å; Y149-I151 HydrophobicContact CE2-CD1 4.49Å; Y149-K174 HydrophobicContact CD2-CD 4.4Å; Y149-K174 HydrophobicContact CD2-CG 4.22Å; Y149-D175 CarbonylContact C-O 3.55Å; Y149-D175 WeakPolarHBondContact CA-O 3.47Å; Y149-D175 VanDerWaalsContact CB-O 3.23Å; Y149-D175 WeakPolarHBondContact CB-O 3.23Å
150	Q	98.6	Very high	95.7	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	162	174.8	63.4	172.5	-27.9	0	0	110.6	L81 H126 S152 K174 D175	L81-Q150 WeakPolarHBondContact O-CA 3.49Å; L81-Q150 WeakPolarHBondContact O-CB 3.17Å; H126-Q150 PolarHBondContact ND1-NE2 3.24Å; H126-Q150 VanDerWaalsContact ND1-NE2 3.11Å; Q150-S152 VanDerWaalsContact CD-OG 3.29Å; Q150-S152 PolarHBondContact OE1-OG 2.88Å; Q150-K174 WeakPolarHBondContact O-CA 3.47Å; Q150-D175 HydrophobicContact CG-CB 4.36Å; Q150-D175 PolarHBondContact N-O 2.89Å; Q150-D175 PolarHBondContact O-N 3.47Å
151	I	98.6	Very high	95.3	Very high	24 Å²	24	43.5 Å²	43.5	12%	0.123	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	107.3	168.4	-62.2	176.5	0	0	0	105.7	I66 R70 F80 Y149 L172 M173 K174 L310	I66-I151 HydrophobicContact CB-CD1 4.45Å; I66-I151 HydrophobicContact CD1-CG2 4.35Å; I66-I151 HydrophobicContact CG1-CD1 4.37Å; I66-I151 HydrophobicContact CG1-CG2 4.29Å; I66-I151 HydrophobicContact CG2-CD1 3.73Å; R70-I151 HydrophobicContact CG-CD1 3.98Å; F80-I151 HydrophobicContact CE2-CB 4.22Å; F80-I151 HydrophobicContact CE2-CG1 4.19Å; Y149-I151 HydrophobicContact CE2-CD1 4.49Å; I151-L172 HydrophobicContact CG2-CD1 4.12Å; I151-L172 HydrophobicContact CG2-CD2 4.2Å; I151-L172 HydrophobicContact CG2-CG 4.11Å; I151-M173 WeakPolarHBondContact CA-O 3.38Å; I151-K174 HydrophobicContact CD1-CB 4.41Å; I151-K174 HydrophobicContact CD1-CG 4.2Å; I151-K174 HydrophobicContact CG1-CB 3.82Å; I151-K174 HydrophobicContact CG1-CG 3.71Å; I151-L310 HydrophobicContact CD1-CD1 4.42Å; I151-L310 HydrophobicContact CG2-CD1 3.52Å
152	S	97.7	Very high	94.9	Very high	14 Å²	14	45.2 Å²	45.2	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	162.5	-172.4	56.6	0	0	0	0	111.6	Q150 K154 M173	Q150-S152 VanDerWaalsContact CD-OG 3.29Å; Q150-S152 PolarHBondContact OE1-OG 2.88Å; S152-K154 PolarHBondContact OG-NZ 3.15Å; S152-M173 PolarHBondContact N-O 3.33Å; S152-M173 VanDerWaalsContact N-O 3.08Å; S152-M173 PolarHBondContact O-N 2.94Å
153	A	97	Very high	94.4	Very high	23 Å²	23	37.4 Å²	37.4	19%	0.19	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	139.5	173.1	0	0	0	0	0	110.3	F155 E170 F171	A153-F155 HydrophobicContact CB-CE2 3.96Å; A153-F155 HydrophobicContact CB-CZ 3.84Å; A153-E170 HydrophobicContact CB-CG 4.3Å; A153-F171 CarbonylContact C-O 3.57Å; A153-F171 WeakPolarHBondContact CA-O 3.44Å
154	K	96.3	Very high	94	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	149.3	171.9	-56.5	-53.8	-174.7	-156.6	0	109.4	H126 S152 E170 F171 M173 D175	H126-K154 PolarHBondContact CE1-NZ 3.29Å; H126-K154 VanDerWaalsContact CE1-NZ 3.28Å; H126-K154 PolarHBondContact ND1-NZ 3.2Å; S152-K154 PolarHBondContact OG-NZ 3.15Å; K154-E170 WeakPolarHBondContact O-CA 3.49Å; K154-F171 HydrophobicContact CB-CD1 4.47Å; K154-F171 HydrophobicContact CB-CD2 3.93Å; K154-F171 HydrophobicContact CB-CE1 4.06Å; K154-F171 HydrophobicContact CB-CE2 3.48Å; K154-F171 VanDerWaalsContact CB-CE2 3.48Å; K154-F171 HydrophobicContact CB-CG 4.41Å; K154-F171 HydrophobicContact CB-CZ 3.54Å; K154-F171 HydrophobicContact CG-CD2 4.31Å; K154-F171 HydrophobicContact CG-CE2 3.83Å; K154-F171 HydrophobicContact CG-CZ 4.3Å; K154-F171 PolarHBondContact N-O 3.31Å; K154-F171 PolarHBondContact O-N 3.48Å; K154-M173 HydrophobicContact CG-CB 3.74Å; K154-M173 HydrophobicContact CG-SD 4.25Å; K154-D175 WeakPolarHBondContact CE-OD2 3.11Å; K154-D175 IonicContact NZ-OD2 2.74Å; K154-D175 PolarHBondContact NZ-OD2 2.9Å
155	F	95.2	Very high	93.8	Very high	32 Å²	32	31.9 Å²	31.9	14%	0.14	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.3	-173.8	-57.3	-90	0	0	0	110.3	F106 L122 C123 P124 A153 R169 E170	F106-F155 HydrophobicContact CD2-CB 3.91Å; F106-F155 HydrophobicContact CE2-CB 4.26Å; L122-F155 HydrophobicContact CB-CB 3.52Å; L122-F155 HydrophobicContact CB-CD2 3.86Å; L122-F155 HydrophobicContact CB-CG 3.72Å; L122-F155 HydrophobicContact CD1-CB 4.12Å; L122-F155 HydrophobicContact CD1-CD1 3.89Å; L122-F155 HydrophobicContact CD1-CE1 4.47Å; L122-F155 HydrophobicContact CD1-CG 3.91Å; L122-F155 HydrophobicContact CG-CB 4.45Å; L122-F155 HydrophobicContact CG-CG 4.32Å; C123-F155 PolarHBondContact O-N 3.48Å; P124-F155 WeakPolarHBondContact CA-O 3.19Å; P124-F155 WeakPolarHBondContact CB-O 3.44Å; A153-F155 HydrophobicContact CB-CE2 3.96Å; A153-F155 HydrophobicContact CB-CZ 3.84Å; F155-R169 VanDerWaalsContact CA-O 3.31Å; F155-R169 WeakPolarHBondContact CA-O 3.49Å; F155-E170 HydrophobicContact CD1-CB 4.27Å; F155-E170 HydrophobicContact CD1-CG 4.17Å; F155-E170 HydrophobicContact CE1-CB 4.26Å; F155-E170 HydrophobicContact CE1-CG 3.74Å; F155-E170 HydrophobicContact CZ-CG 4.34Å
156	R	92.6	Very high	93.4	Very high	84 Å²	84	28.9 Å²	28.9	32%	0.317	16%	0.164	S	C	.	.			trans	-141	136.7	171.7	-65.1	-174.8	-174.8	-175.1	1.1	107.9	E104 F106 P124 E158 R169 F171	E104-R156 CarbonylContact O-C 3.59Å; E104-R156 WeakPolarHBondContact O-CA 3.19Å; F106-R156 VanDerWaalsContact CE2-O 3.22Å; F106-R156 WeakPolarHBondContact CE2-O 2.93Å; P124-R156 HydrophobicContact CB-CG 4.3Å; R156-E158 PolarHBondContact O-N 3.32Å; R156-R169 PolarHBondContact N-O 3.47Å; R156-R169 WeakPolarHBondContact O-CA 3.49Å; R156-R169 VanDerWaalsContact O-CB 3.29Å; R156-R169 WeakPolarHBondContact O-CB 3.47Å; R156-F171 HydrophobicContact CG-CE1 4.02Å; R156-F171 HydrophobicContact CG-CZ 4.41Å
157	D	91.4	Very high	93	Very high	59 Å²	59	31 Å²	31	32%	0.316	17%	0.171	S	C	.	.			trans	-80.9	63.3	169.4	-160.5	22.3	0	0	0	109.3	E104 F106 G159 R169	E104-D157 PolarHBondContact O-N 2.95Å; F106-D157 HydrophobicContact CD1-CB 4.19Å; F106-D157 HydrophobicContact CD2-CB 4.36Å; F106-D157 HydrophobicContact CE1-CB 4.07Å; F106-D157 HydrophobicContact CE2-CB 4.26Å; F106-D157 HydrophobicContact CG-CB 4.35Å; F106-D157 HydrophobicContact CZ-CB 4.12Å; D157-G159 PolarHBondContact O-N 3.02Å; D157-R169 IonicContact OD1-CZ 2.62Å; D157-R169 IonicContact OD1-NE 3.98Å; D157-R169 PolarHBondContact OD1-NE 3.24Å; D157-R169 IonicContact OD1-NH2 2.66Å; D157-R169 PolarHBondContact OD1-NH2 3.24Å
158	E	89.9	Confident	92.8	Very high	30 Å²	30	30.6 Å²	30.6	14%	0.14	17%	0.169	C	C	.	.			trans	-62.5	117.1	-177.7	171.6	56.9	-114.6	0	0	109.7	R156 N160 P161 R167 R169	R156-E158 PolarHBondContact O-N 3.32Å; E158-N160 VanDerWaalsContact C-N 3.32Å; E158-N160 PolarHBondContact O-N 3.35Å; E158-N160 PolarHBondContact OE1-N 3.06Å; E158-P161 HydrophobicContact CB-CG 4.15Å; E158-P161 HydrophobicContact CG-CB 4.18Å; E158-P161 HydrophobicContact CG-CG 3.89Å; E158-P161 VanDerWaalsContact O-CD 3.22Å; E158-P161 WeakPolarHBondContact O-CD 3.08Å; E158-P161 VanDerWaalsContact O-CG 3.23Å; E158-P161 WeakPolarHBondContact O-CG 3.35Å; E158-R167 HydrophobicContact CG-CG 3.98Å; E158-R167 IonicContact OE1-CZ 2.73Å; E158-R167 IonicContact OE1-NE 3.42Å; E158-R167 PolarHBondContact OE1-NE 2.79Å; E158-R167 IonicContact OE1-NH2 2.72Å; E158-R167 IonicContact OE2-CZ 3.15Å; E158-R167 VanDerWaalsContact OE2-CZ 3.29Å; E158-R167 IonicContact OE2-NE 3.65Å; E158-R167 PolarHBondContact OE2-NE 2.78Å; E158-R167 IonicContact OE2-NH2 3.91Å; E158-R167 PolarHBondContact OE2-NH2 3.03Å; E158-R169 HydrophobicContact CB-CG 4.04Å
159	G	86.9	Confident	92.5	Very high	78 Å²	78	32.4 Å²	32.4	80%	0.804	17%	0.174	S	C	*	.	S	Bend	trans	-70	-26.5	-175.3	0	0	0	0	0	113.7	D157	D157-G159 PolarHBondContact O-N 3.02Å
160	N	88.2	Confident	92.3	Very high	62 Å²	62	35.3 Å²	35.3	33%	0.332	19%	0.188	S	C	.	.	S	Bend	trans	-134.9	73.6	174.6	-171.8	20.9	0	0	0	112.2	E158 R162	E158-N160 VanDerWaalsContact C-N 3.32Å; E158-N160 PolarHBondContact O-N 3.35Å; E158-N160 PolarHBondContact OE1-N 3.06Å; N160-R162 PolarHBondContact ND2-NH1 3.09Å; N160-R162 PolarHBondContact O-N 3.12Å; N160-R162 PolarHBondContact O-NH1 3.28Å
161	P	88.6	Confident	92.2	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.091	19%	0.188	C	C	.	.			trans	-65.6	128.7	178.2	-16.4	30.8	0	0	0	110.5	K49 G50 E158 R167 R169	K49-P161 HydrophobicContact CB-CB 4.34Å; K49-P161 HydrophobicContact CB-CG 4.19Å; G50-P161 VanDerWaalsContact CA-CB 3.44Å; E158-P161 HydrophobicContact CB-CG 4.15Å; E158-P161 HydrophobicContact CG-CB 4.18Å; E158-P161 HydrophobicContact CG-CG 3.89Å; E158-P161 VanDerWaalsContact O-CD 3.22Å; E158-P161 WeakPolarHBondContact O-CD 3.08Å; E158-P161 VanDerWaalsContact O-CG 3.23Å; E158-P161 WeakPolarHBondContact O-CG 3.35Å; P161-R167 CarbonylContact C-O 3.59Å; P161-R167 VanDerWaalsContact CA-O 3.22Å; P161-R167 WeakPolarHBondContact CA-O 3.29Å; P161-R167 WeakPolarHBondContact CB-O 3.46Å; P161-R169 HydrophobicContact CG-CG 3.74Å
162	R	87.6	Confident	92.2	Very high	71 Å²	71	36 Å²	36	27%	0.268	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-148.8	163.4	-173	54.5	-173.2	-177.6	-103.1	7.8	111.7	N160 G164 R167 E234	N160-R162 PolarHBondContact ND2-NH1 3.09Å; N160-R162 PolarHBondContact O-N 3.12Å; N160-R162 PolarHBondContact O-NH1 3.28Å; R162-G164 VanDerWaalsContact C-N 3.3Å; R162-G164 PolarHBondContact O-N 2.92Å; R162-R167 HydrophobicContact CG-CB 4.3Å; R162-R167 PolarHBondContact N-O 2.9Å; R162-R167 VanDerWaalsContact NH2-NH1 3.18Å; R162-R167 WeakPolarHBondContact O-CA 3.39Å; R162-R167 VanDerWaalsContact O-CB 3.29Å; R162-R167 WeakPolarHBondContact O-CB 3.32Å; R162-R167 PolarHBondContact O-N 3.34Å; R162-R167 VanDerWaalsContact O-N 3.08Å; R162-E234 IonicContact CZ-OE1 2.82Å; R162-E234 IonicContact CZ-OE2 3.64Å; R162-E234 VanDerWaalsContact NE-CD 3.34Å; R162-E234 IonicContact NE-OE1 2.92Å; R162-E234 PolarHBondContact NE-OE1 3.34Å; R162-E234 IonicContact NE-OE2 3.88Å; R162-E234 PolarHBondContact NE-OE2 3.44Å; R162-E234 IonicContact NH2-OE1 3.95Å; R162-E234 PolarHBondContact NH2-OE1 2.86Å; R162-E234 IonicContact NH2-OE2 3.47Å
163	F	87.4	Confident	92.2	Very high	31 Å²	31	36.6 Å²	36.6	14%	0.136	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	35.7	178.5	-43.9	-53.1	0	0	0	114.5	S31 L165 G166 E234	S31-F163 VanDerWaalsContact OG-CA 3.25Å; S31-F163 WeakPolarHBondContact OG-CA 3.14Å; F163-L165 PolarHBondContact O-N 3.15Å; F163-G166 PolarHBondContact O-N 3.47Å; F163-E234 HydrophobicContact CD2-CG 3.8Å; F163-E234 HydrophobicContact CE2-CG 3.44Å; F163-E234 VanDerWaalsContact CE2-CG 3.44Å; F163-E234 WeakPolarHBondContact CE2-OE1 3.43Å
164	G	87.9	Confident	92.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	-118.9	175	0	0	0	0	0	112.6	Q34 Y52 R162 G166	Q34-G164 VanDerWaalsContact CD-N 3.26Å; Y52-G164 VanDerWaalsContact CE2-O 3.29Å; Y52-G164 WeakPolarHBondContact CE2-O 3.35Å; Y52-G164 WeakPolarHBondContact OH-CA 3.45Å; R162-G164 VanDerWaalsContact C-N 3.3Å; R162-G164 PolarHBondContact O-N 2.92Å; G164-G166 PolarHBondContact O-N 2.93Å
165	L	93.1	Very high	92.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.3	176.1	-59.1	-177.4	0	0	0	113.3	L37 I43 Y52 Y54 F163 L314	L37-L165 HydrophobicContact CD1-CD1 3.94Å; L37-L165 HydrophobicContact CD1-CG 4.23Å; I43-L165 HydrophobicContact CD1-CD2 4.39Å; I43-L165 HydrophobicContact CD1-CG 4.21Å; I43-L165 HydrophobicContact CG2-CD1 4.09Å; I43-L165 HydrophobicContact CG2-CD2 4.38Å; I43-L165 HydrophobicContact CG2-CG 4.43Å; Y52-L165 HydrophobicContact CD2-CD2 3.85Å; Y52-L165 HydrophobicContact CG-CD2 4.12Å; Y54-L165 HydrophobicContact CE1-CD1 3.81Å; Y54-L165 HydrophobicContact CE1-CD2 3.88Å; F163-L165 PolarHBondContact O-N 3.15Å; L165-L314 HydrophobicContact CD1-CD2 4.24Å
166	G	90.2	Very high	92.6	Very high	13 Å²	13	34.3 Å²	34.3	13%	0.134	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-52.9	175.3	0	0	0	0	0	111.1	F163 G164 R312	F163-G166 PolarHBondContact O-N 3.47Å; G164-G166 PolarHBondContact O-N 2.93Å; G166-R312 VanDerWaalsContact O-CZ 3.25Å; G166-R312 PolarHBondContact O-NE 2.9Å; G166-R312 PolarHBondContact O-NH2 3.02Å
167	R	90.9	Very high	92.9	Very high	73 Å²	73	30.4 Å²	30.4	28%	0.275	17%	0.165	S	C	.	.	B	Isolated β-bridge	trans	-133.7	89.3	179.6	-170.1	164.7	-175.2	154.8	4.6	110.7	E158 P161 R162 E234	E158-R167 HydrophobicContact CG-CG 3.98Å; E158-R167 IonicContact OE1-CZ 2.73Å; E158-R167 IonicContact OE1-NE 3.42Å; E158-R167 PolarHBondContact OE1-NE 2.79Å; E158-R167 IonicContact OE1-NH2 2.72Å; E158-R167 IonicContact OE2-CZ 3.15Å; E158-R167 VanDerWaalsContact OE2-CZ 3.29Å; E158-R167 IonicContact OE2-NE 3.65Å; E158-R167 PolarHBondContact OE2-NE 2.78Å; E158-R167 IonicContact OE2-NH2 3.91Å; E158-R167 PolarHBondContact OE2-NH2 3.03Å; P161-R167 CarbonylContact C-O 3.59Å; P161-R167 VanDerWaalsContact CA-O 3.22Å; P161-R167 WeakPolarHBondContact CA-O 3.29Å; P161-R167 WeakPolarHBondContact CB-O 3.46Å; R162-R167 HydrophobicContact CG-CB 4.3Å; R162-R167 PolarHBondContact N-O 2.9Å; R162-R167 VanDerWaalsContact NH2-NH1 3.18Å; R162-R167 WeakPolarHBondContact O-CA 3.39Å; R162-R167 VanDerWaalsContact O-CB 3.29Å; R162-R167 WeakPolarHBondContact O-CB 3.32Å; R162-R167 PolarHBondContact O-N 3.34Å; R162-R167 VanDerWaalsContact O-N 3.08Å; R167-E234 WeakPolarHBondContact CD-OE2 3.43Å; R167-E234 IonicContact NH1-OE2 2.73Å; R167-E234 PolarHBondContact NH1-OE2 2.88Å
168	S	92.7	Very high	93.2	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.028	15%	0.15	C	C	.	.			trans	-115.1	167.6	-178	58.7	0	0	0	0	111.6	G50 E170	G50-S168 VanDerWaalsContact O-CB 3.23Å; G50-S168 WeakPolarHBondContact O-CB 3.32Å; S168-E170 WeakPolarHBondContact CB-O 3.32Å; S168-E170 PolarHBondContact OG-O 3.3Å
169	R	93.9	Very high	93.7	Very high	56 Å²	56	26.2 Å²	26.2	21%	0.211	14%	0.143	C	C	.	.	S	Bend	trans	-84.2	-21.5	175.7	-65.5	172	75.5	-156.1	9	112.5	K49 G50 L51 F106 F155 R156 D157 E158 P161	K49-R169 VanDerWaalsContact O-CD 3.25Å; K49-R169 WeakPolarHBondContact O-CD 3.33Å; G50-R169 PolarHBondContact O-N 2.87Å; L51-R169 HydrophobicContact CD2-CB 3.89Å; L51-R169 HydrophobicContact CG-CB 4.36Å; F106-R169 HydrophobicContact CE2-CB 4.48Å; F106-R169 HydrophobicContact CZ-CB 4.37Å; F155-R169 VanDerWaalsContact CA-O 3.31Å; F155-R169 WeakPolarHBondContact CA-O 3.49Å; R156-R169 PolarHBondContact N-O 3.47Å; R156-R169 WeakPolarHBondContact O-CA 3.49Å; R156-R169 VanDerWaalsContact O-CB 3.29Å; R156-R169 WeakPolarHBondContact O-CB 3.47Å; D157-R169 IonicContact OD1-CZ 2.62Å; D157-R169 IonicContact OD1-NE 3.98Å; D157-R169 PolarHBondContact OD1-NE 3.24Å; D157-R169 IonicContact OD1-NH2 2.66Å; D157-R169 PolarHBondContact OD1-NH2 3.24Å; E158-R169 HydrophobicContact CB-CG 4.04Å; P161-R169 HydrophobicContact CG-CG 3.74Å
170	E	95.1	Very high	94.2	Very high	72 Å²	72	22.6 Å²	22.6	34%	0.336	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.4	171.4	-178.7	-178.3	-179.9	0	0	109	L51 A153 K154 F155 S168	L51-E170 HydrophobicContact CD2-CB 3.78Å; A153-E170 HydrophobicContact CB-CG 4.3Å; K154-E170 WeakPolarHBondContact O-CA 3.49Å; F155-E170 HydrophobicContact CD1-CB 4.27Å; F155-E170 HydrophobicContact CD1-CG 4.17Å; F155-E170 HydrophobicContact CE1-CB 4.26Å; F155-E170 HydrophobicContact CE1-CG 3.74Å; F155-E170 HydrophobicContact CZ-CG 4.34Å; S168-E170 WeakPolarHBondContact CB-O 3.32Å; S168-E170 PolarHBondContact OG-O 3.3Å
171	F	96.4	Very high	94.7	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.013	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	153.4	178.8	54.4	-86.7	0	0	0	112.1	A153 K154 R156 M173 S311	A153-F171 CarbonylContact C-O 3.57Å; A153-F171 WeakPolarHBondContact CA-O 3.44Å; K154-F171 HydrophobicContact CB-CD1 4.47Å; K154-F171 HydrophobicContact CB-CD2 3.93Å; K154-F171 HydrophobicContact CB-CE1 4.06Å; K154-F171 HydrophobicContact CB-CE2 3.48Å; K154-F171 VanDerWaalsContact CB-CE2 3.48Å; K154-F171 HydrophobicContact CB-CG 4.41Å; K154-F171 HydrophobicContact CB-CZ 3.54Å; K154-F171 HydrophobicContact CG-CD2 4.31Å; K154-F171 HydrophobicContact CG-CE2 3.83Å; K154-F171 HydrophobicContact CG-CZ 4.3Å; K154-F171 PolarHBondContact N-O 3.31Å; K154-F171 PolarHBondContact O-N 3.48Å; R156-F171 HydrophobicContact CG-CE1 4.02Å; R156-F171 HydrophobicContact CG-CZ 4.41Å; F171-M173 HydrophobicContact CD2-CB 4.37Å; F171-M173 HydrophobicContact CE2-CB 4.39Å; F171-M173 HydrophobicContact CE2-CE 3.95Å; F171-M173 HydrophobicContact CE2-SD 4.34Å; F171-S311 WeakPolarHBondContact CB-OG 3.49Å
172	L	97.8	Very high	95.1	Very high	37 Å²	37	26.4 Å²	26.4	19%	0.194	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.6	179.3	-168.6	72.5	0	0	0	110.2	I66 I151 G309 L310 S311	I66-L172 HydrophobicContact CD1-CD2 3.83Å; I151-L172 HydrophobicContact CG2-CD1 4.12Å; I151-L172 HydrophobicContact CG2-CD2 4.2Å; I151-L172 HydrophobicContact CG2-CG 4.11Å; L172-G309 CarbonylContact O-C 3.52Å; L172-L310 HydrophobicContact CD2-CB 4.31Å; L172-L310 HydrophobicContact CD2-CD1 3.97Å; L172-L310 HydrophobicContact CG-CB 4.47Å; L172-L310 HydrophobicContact CG-CD1 4.18Å; L172-L310 PolarHBondContact O-N 2.86Å; L172-S311 PolarHBondContact N-OG 2.81Å; L172-S311 VanDerWaalsContact N-OG 3.16Å; L172-S311 PolarHBondContact O-N 3.08Å
173	M	98.5	Very high	95.6	Very high	26 Å²	26	28.2 Å²	28.2	13%	0.128	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.9	-179.7	-179.3	171.4	-91.7	0	0	110.9	I151 S152 K154 F171 D175 I308	I151-M173 WeakPolarHBondContact CA-O 3.38Å; S152-M173 PolarHBondContact N-O 3.33Å; S152-M173 VanDerWaalsContact N-O 3.08Å; S152-M173 PolarHBondContact O-N 2.94Å; K154-M173 HydrophobicContact CG-CB 3.74Å; K154-M173 HydrophobicContact CG-SD 4.25Å; F171-M173 HydrophobicContact CD2-CB 4.37Å; F171-M173 HydrophobicContact CE2-CB 4.39Å; F171-M173 HydrophobicContact CE2-CE 3.95Å; F171-M173 HydrophobicContact CE2-SD 4.34Å; M173-D175 VanDerWaalsContact SD-OD1 3.36Å; M173-I308 WeakPolarHBondContact CA-O 3.37Å; M173-I308 WeakPolarHBondContact CG-O 3.17Å
174	K	98.6	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.8	163.3	-176.4	-87.8	-48.7	104.5	0	108.6	V69 M73 Y149 Q150 I151 L176 Y197 Y306 G307 I308 L310	V69-K174 HydrophobicContact CG1-CB 4.18Å; V69-K174 HydrophobicContact CG1-CD 4.09Å; V69-K174 HydrophobicContact CG1-CG 3.68Å; M73-K174 HydrophobicContact CG-CD 4.35Å; M73-K174 HydrophobicContact SD-CD 4.01Å; Y149-K174 HydrophobicContact CD2-CD 4.4Å; Y149-K174 HydrophobicContact CD2-CG 4.22Å; Q150-K174 WeakPolarHBondContact O-CA 3.47Å; I151-K174 HydrophobicContact CD1-CB 4.41Å; I151-K174 HydrophobicContact CD1-CG 4.2Å; I151-K174 HydrophobicContact CG1-CB 3.82Å; I151-K174 HydrophobicContact CG1-CG 3.71Å; K174-L176 HydrophobicContact CD-CB 4.45Å; K174-Y197 PolarHBondContact NZ-OH 3.31Å; K174-Y306 PolarHBondContact NZ-O 3.49Å; K174-G307 CarbonylContact O-C 3.58Å; K174-G307 VanDerWaalsContact O-CA 3.28Å; K174-G307 WeakPolarHBondContact O-CA 3.23Å; K174-I308 HydrophobicContact CB-CB 4.5Å; K174-I308 PolarHBondContact N-O 3.02Å; K174-I308 PolarHBondContact O-N 3.31Å; K174-L310 HydrophobicContact CB-CD1 4.31Å; K174-L310 HydrophobicContact CB-CD2 4.49Å; K174-L310 HydrophobicContact CB-CG 4.41Å
175	D	98.4	Very high	96.7	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.7	172.1	-54.1	-82.3	0	0	0	109.5	Y149 Q150 K154 M173 Y177	Y149-D175 CarbonylContact C-O 3.55Å; Y149-D175 WeakPolarHBondContact CA-O 3.47Å; Y149-D175 VanDerWaalsContact CB-O 3.23Å; Y149-D175 WeakPolarHBondContact CB-O 3.23Å; Q150-D175 HydrophobicContact CG-CB 4.36Å; Q150-D175 PolarHBondContact N-O 2.89Å; Q150-D175 PolarHBondContact O-N 3.47Å; K154-D175 WeakPolarHBondContact CE-OD2 3.11Å; K154-D175 IonicContact NZ-OD2 2.74Å; K154-D175 PolarHBondContact NZ-OD2 2.9Å; M173-D175 VanDerWaalsContact SD-OD1 3.36Å; D175-Y177 HydrophobicContact CB-CE2 3.76Å; D175-Y177 WeakPolarHBondContact CB-OH 3.3Å
176	L	98.8	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.6	166.7	179.7	144.8	0	0	0	108.5	M73 L76 A78 L147 L148 K174 V193 C305 Y306	M73-L176 HydrophobicContact SD-CB 4.32Å; M73-L176 HydrophobicContact SD-CD1 3.47Å; M73-L176 WeakPolarHBondContact SD-CD1 3.48Å; L76-L176 HydrophobicContact CD1-CD1 4.47Å; A78-L176 HydrophobicContact CB-CD1 3.64Å; L147-L176 HydrophobicContact CD2-CD2 4.19Å; L148-L176 CarbonylContact O-C 3.6Å; K174-L176 HydrophobicContact CD-CB 4.45Å; L176-V193 HydrophobicContact CD2-CG2 3.93Å; L176-C305 CarbonylContact O-C 3.56Å; L176-C305 WeakPolarHBondContact O-CA 2.96Å; L176-Y306 HydrophobicContact CB-CD2 4.35Å; L176-Y306 HydrophobicContact CD2-CD2 3.25Å; L176-Y306 HydrophobicContact CD2-CE2 3.64Å; L176-Y306 HydrophobicContact CD2-CG 4.08Å; L176-Y306 HydrophobicContact CG-CD2 4.39Å; L176-Y306 PolarHBondContact N-O 2.68Å; L176-Y306 WeakPolarHBondContact O-CD2 3.43Å; L176-Y306 PolarHBondContact O-N 3Å
177	Y	98.8	Very high	97.3	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.6	175.4	-57	-77.5	0	0	0	108.1	H126 E127 I130 L148 D175 G304 C305	H126-Y177 HydrophobicContact CB-CE2 4.32Å; H126-Y177 WeakPolarHBondContact CB-OH 3.13Å; H126-Y177 PolarHBondContact N-OH 2.85Å; E127-Y177 HydrophobicContact CG-CE1 3.99Å; I130-Y177 HydrophobicContact CB-CD2 4.16Å; I130-Y177 HydrophobicContact CB-CE2 4.45Å; I130-Y177 HydrophobicContact CB-CG 4.38Å; I130-Y177 HydrophobicContact CG1-CD2 4.03Å; I130-Y177 HydrophobicContact CG1-CG 4.27Å; I130-Y177 HydrophobicContact CG2-CD1 3.83Å; I130-Y177 HydrophobicContact CG2-CD2 3.95Å; I130-Y177 HydrophobicContact CG2-CE1 4.19Å; I130-Y177 HydrophobicContact CG2-CE2 4.28Å; I130-Y177 HydrophobicContact CG2-CG 3.72Å; L148-Y177 PolarHBondContact N-O 2.73Å; L148-Y177 PolarHBondContact O-N 3.12Å; D175-Y177 HydrophobicContact CB-CE2 3.76Å; D175-Y177 WeakPolarHBondContact CB-OH 3.3Å; Y177-G304 WeakPolarHBondContact CA-O 3.35Å; Y177-C305 HydrophobicContact CD1-CB 3.74Å; Y177-C305 HydrophobicContact CE1-CB 3.78Å
178	S	98.7	Very high	97.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.7	172	72	0	0	0	0	110.8	D180 T189 M303 G304 Y306	S178-D180 WeakPolarHBondContact CB-OD2 3.46Å; S178-D180 PolarHBondContact OG-OD2 2.9Å; S178-D180 VanDerWaalsContact OG-OD2 3.09Å; S178-T189 VanDerWaalsContact CB-CG2 3.48Å; S178-M303 VanDerWaalsContact O-CA 3.29Å; S178-M303 WeakPolarHBondContact O-CA 3.25Å; S178-G304 PolarHBondContact N-O 3.29Å; S178-G304 PolarHBondContact O-N 3.08Å; S178-G304 PolarHBondContact OG-N 2.97Å; S178-Y306 PolarHBondContact OG-OH 3.28Å; S178-Y306 VanDerWaalsContact OG-OH 3.12Å
179	F	98.7	Very high	98	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118.5	173.4	-52.3	-83.3	0	0	0	107.7	I130 L134 M144 P145 L146 L148 V301 Y302 M303	I130-F179 HydrophobicContact CB-CZ 4.47Å; I130-F179 HydrophobicContact CG1-CE2 4.13Å; I130-F179 HydrophobicContact CG1-CZ 3.7Å; I130-F179 HydrophobicContact CG2-CZ 4Å; L134-F179 HydrophobicContact CD1-CB 4.24Å; L134-F179 HydrophobicContact CD1-CD1 3.36Å; L134-F179 HydrophobicContact CD1-CD2 3.46Å; L134-F179 VanDerWaalsContact CD1-CD2 3.46Å; L134-F179 HydrophobicContact CD1-CE1 3.37Å; L134-F179 HydrophobicContact CD1-CE2 3.5Å; L134-F179 HydrophobicContact CD1-CG 3.38Å; L134-F179 HydrophobicContact CD1-CZ 3.44Å; L134-F179 VanDerWaalsContact CD1-CZ 3.44Å; L134-F179 HydrophobicContact CG-CE1 4.32Å; L134-F179 HydrophobicContact CG-CE2 4.4Å; L134-F179 HydrophobicContact CG-CZ 4.19Å; M144-F179 HydrophobicContact SD-CB 4.2Å; P145-F179 WeakPolarHBondContact CA-O 3.47Å; L146-F179 HydrophobicContact CB-CB 4.28Å; L146-F179 HydrophobicContact CB-CD2 4.42Å; L146-F179 HydrophobicContact CD2-CD2 4.4Å; L146-F179 HydrophobicContact CG-CD2 4.34Å; L146-F179 PolarHBondContact N-O 2.73Å; L146-F179 WeakPolarHBondContact O-CD2 3.36Å; L146-F179 PolarHBondContact O-N 2.91Å; L148-F179 HydrophobicContact CB-CE2 4.45Å; L148-F179 HydrophobicContact CD1-CE2 4.07Å; L148-F179 HydrophobicContact CG-CE2 4.29Å; F179-V301 HydrophobicContact CB-CB 4.16Å; F179-V301 HydrophobicContact CB-CG1 4.39Å; F179-V301 HydrophobicContact CB-CG2 4.38Å; F179-V301 HydrophobicContact CD1-CB 4.35Å; F179-V301 HydrophobicContact CD1-CG2 3.67Å; F179-V301 HydrophobicContact CG-CG2 4.47Å; F179-Y302 CarbonylContact C-O 3.55Å; F179-Y302 WeakPolarHBondContact CA-O 3.23Å; F179-M303 HydrophobicContact CD1-CG 3.77Å; F179-M303 HydrophobicContact CD1-SD 4.36Å; F179-M303 HydrophobicContact CE1-CE 3.78Å; F179-M303 HydrophobicContact CE1-CG 3.95Å; F179-M303 HydrophobicContact CE1-SD 4.03Å; F179-M303 HydrophobicContact CZ-CE 4.49Å
180	D	98.7	Very high	98.2	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.011	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	156.4	-169.7	-66.4	-87.7	0	0	0	109.7	P145 S178 A185 A186 T189 Y302	P145-D180 WeakPolarHBondContact CB-OD1 3.4Å; S178-D180 WeakPolarHBondContact CB-OD2 3.46Å; S178-D180 PolarHBondContact OG-OD2 2.9Å; S178-D180 VanDerWaalsContact OG-OD2 3.09Å; D180-A185 HydrophobicContact CB-CB 4.16Å; D180-A186 HydrophobicContact CB-CB 3.79Å; D180-A186 VanDerWaalsContact CG-CA 3.44Å; D180-T189 WeakPolarHBondContact OD1-CB 3.42Å; D180-T189 PolarHBondContact OD1-OG1 2.62Å; D180-Y302 PolarHBondContact N-O 3.34Å; D180-Y302 PolarHBondContact O-N 3.47Å
181	K	98	Very high	98.4	Very high	101 Å²	101	41.5 Å²	41.5	44%	0.439	20%	0.197	S	C	.	.	S	Bend	trans	-75.8	-27.6	-175.2	59.5	169.4	-172.7	168.5	0	114.3	V141 M144 A185 F291	V141-K181 HydrophobicContact CG2-CB 4.19Å; V141-K181 HydrophobicContact CG2-CD 4.09Å; M144-K181 HydrophobicContact CB-CB 4.37Å; M144-K181 HydrophobicContact CG-CB 4.44Å; K181-A185 HydrophobicContact CG-CB 3.97Å; K181-F291 HydrophobicContact CB-CE1 4.34Å; K181-F291 HydrophobicContact CB-CE2 3.97Å; K181-F291 HydrophobicContact CB-CZ 3.64Å; K181-F291 WeakPolarHBondContact O-CZ 3.4Å
182	D	97.9	Very high	98.5	Very high	56 Å²	56	43.6 Å²	43.6	30%	0.299	21%	0.212	S	C	.	.	S	Bend	trans	-157	169	-176.2	59.5	53.3	0	0	0	110	K184 A185 A186 Y302	D182-K184 VanDerWaalsContact C-N 3.31Å; D182-K184 PolarHBondContact O-N 2.85Å; D182-K184 PolarHBondContact OD1-N 2.88Å; D182-A185 PolarHBondContact O-N 3.32Å; D182-A185 WeakPolarHBondContact OD1-CB 3.41Å; D182-A185 PolarHBondContact OD1-N 3.34Å; D182-A186 PolarHBondContact O-N 2.78Å; D182-Y302 VanDerWaalsContact CA-CD2 3.49Å
183	E	98.1	Very high	98.5	Very high	109 Å²	109	41.9 Å²	41.9	51%	0.509	20%	0.203	S	C	.	.	H	α-helix	trans	-60.6	-38.1	-177.5	-172.7	170.1	-161.6	0	0	113.1	A186 L187 Y302	E183-A186 PolarHBondContact O-N 2.73Å; E183-L187 PolarHBondContact O-N 3.37Å; E183-Y302 HydrophobicContact CB-CD1 3.89Å; E183-Y302 HydrophobicContact CB-CE1 3.64Å; E183-Y302 HydrophobicContact CG-CE1 4.4Å
184	K	98.3	Very high	98.5	Very high	181 Å²	181	42.7 Å²	42.7	79%	0.787	21%	0.205	S	C	*	.	H	α-helix	trans	-67.2	-41.5	-179.7	-176.2	179	-180	177.3	0	111.1	D182 K188	D182-K184 VanDerWaalsContact C-N 3.31Å; D182-K184 PolarHBondContact O-N 2.85Å; D182-K184 PolarHBondContact OD1-N 2.88Å; K184-K188 PolarHBondContact O-N 3.26Å
185	A	98.4	Very high	98.5	Very high	22 Å²	22	48 Å²	48	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-44.4	173.4	0	0	0	0	0	110.9	D180 K181 D182 L187 K188 T189	D180-A185 HydrophobicContact CB-CB 4.16Å; K181-A185 HydrophobicContact CG-CB 3.97Å; D182-A185 PolarHBondContact O-N 3.32Å; D182-A185 WeakPolarHBondContact OD1-CB 3.41Å; D182-A185 PolarHBondContact OD1-N 3.34Å; A185-L187 VanDerWaalsContact C-N 3.33Å; A185-L187 PolarHBondContact O-N 3.19Å; A185-K188 WeakPolarHBondContact O-CB 3.41Å; A185-K188 PolarHBondContact O-N 3.35Å; A185-K188 VanDerWaalsContact O-N 3.11Å; A185-T189 PolarHBondContact O-N 3.32Å; A185-T189 PolarHBondContact O-OG1 3Å
186	A	98.6	Very high	98.5	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-42.4	177.1	0	0	0	0	0	112.3	D180 D182 E183 K188 T189 Y190 L278	D180-A186 HydrophobicContact CB-CB 3.79Å; D180-A186 VanDerWaalsContact CG-CA 3.44Å; D182-A186 PolarHBondContact O-N 2.78Å; E183-A186 PolarHBondContact O-N 2.73Å; A186-K188 PolarHBondContact O-N 2.73Å; A186-T189 PolarHBondContact O-N 3.47Å; A186-Y190 VanDerWaalsContact O-CB 3.3Å; A186-Y190 WeakPolarHBondContact O-CB 3.41Å; A186-Y190 PolarHBondContact O-N 2.94Å; A186-L278 HydrophobicContact CB-CD1 3.75Å
187	L	98.5	Very high	98.5	Very high	76 Å²	76	47.7 Å²	47.7	40%	0.398	23%	0.231	S	C	.	.	H	α-helix	trans	-64.1	-38.8	175.7	-174.9	62	0	0	0	112.4	E183 A185 Y190 E191 L222 L278	E183-L187 PolarHBondContact O-N 3.37Å; A185-L187 VanDerWaalsContact C-N 3.33Å; A185-L187 PolarHBondContact O-N 3.19Å; L187-Y190 WeakPolarHBondContact O-CB 3.27Å; L187-Y190 PolarHBondContact O-N 2.8Å; L187-E191 PolarHBondContact O-N 3.34Å; L187-L222 HydrophobicContact CD1-CD2 4.32Å; L187-L278 HydrophobicContact CD1-CD2 4.21Å
188	K	98.6	Very high	98.4	Very high	158 Å²	158	48.9 Å²	48.9	69%	0.687	24%	0.244	S	C	*	.	H	α-helix	trans	-64.4	-42.5	174.8	-175.2	-178.1	178.6	-176.9	0	111.7	K184 A185 A186 Y190 S192	K184-K188 PolarHBondContact O-N 3.26Å; A185-K188 WeakPolarHBondContact O-CB 3.41Å; A185-K188 PolarHBondContact O-N 3.35Å; A185-K188 VanDerWaalsContact O-N 3.11Å; A186-K188 PolarHBondContact O-N 2.73Å; K188-Y190 VanDerWaalsContact C-N 3.35Å; K188-S192 PolarHBondContact O-N 3.29Å; K188-S192 PolarHBondContact O-OG 2.88Å
189	T	98.7	Very high	98.4	Very high	14 Å²	14	52.7 Å²	52.7	9%	0.086	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-42.3	175.7	-63.4	0	0	0	0	110.8	L147 S178 D180 A185 A186 E191 S192 V193	L147-T189 HydrophobicContact CD2-CG2 3.7Å; S178-T189 VanDerWaalsContact CB-CG2 3.48Å; D180-T189 WeakPolarHBondContact OD1-CB 3.42Å; D180-T189 PolarHBondContact OD1-OG1 2.62Å; A185-T189 PolarHBondContact O-N 3.32Å; A185-T189 PolarHBondContact O-OG1 3Å; A186-T189 PolarHBondContact O-N 3.47Å; T189-E191 PolarHBondContact O-N 2.95Å; T189-S192 WeakPolarHBondContact O-CB 3.41Å; T189-S192 PolarHBondContact O-N 3.17Å; T189-S192 VanDerWaalsContact O-N 3.13Å; T189-V193 WeakPolarHBondContact O-CG2 3.49Å; T189-V193 PolarHBondContact O-N 2.72Å
190	Y	98.7	Very high	98.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55.2	-52.3	176.1	-176	-97.6	0	0	0	112	A186 L187 K188 S192 V193 R194 L222 H224 T276 L278 Y306	A186-Y190 VanDerWaalsContact O-CB 3.3Å; A186-Y190 WeakPolarHBondContact O-CB 3.41Å; A186-Y190 PolarHBondContact O-N 2.94Å; L187-Y190 WeakPolarHBondContact O-CB 3.27Å; L187-Y190 PolarHBondContact O-N 2.8Å; K188-Y190 VanDerWaalsContact C-N 3.35Å; Y190-S192 VanDerWaalsContact C-N 3.32Å; Y190-S192 PolarHBondContact O-N 3.45Å; Y190-V193 PolarHBondContact O-N 2.84Å; Y190-R194 HydrophobicContact CD1-CG 4.38Å; Y190-R194 HydrophobicContact CE1-CG 4.22Å; Y190-R194 WeakPolarHBondContact O-CG 3.35Å; Y190-R194 PolarHBondContact O-N 3.13Å; Y190-L222 HydrophobicContact CD1-CD2 4.23Å; Y190-L222 HydrophobicContact CE1-CD2 3.7Å; Y190-L222 HydrophobicContact CE1-CG 4.25Å; Y190-H224 AromaticContact CE1-ND1 3.66Å; Y190-H224 AromaticContact CZ-ND1 3.68Å; Y190-H224 PolarHBondContact OH-N 2.97Å; Y190-H224 PolarHBondContact OH-ND1 3.2Å; Y190-T276 PolarHBondContact OH-O 2.71Å; Y190-T276 VanDerWaalsContact OH-O 3.08Å; Y190-T276 PolarHBondContact OH-OG1 2.82Å; Y190-T276 VanDerWaalsContact OH-OG1 3.08Å; Y190-L278 HydrophobicContact CD2-CB 4.09Å; Y190-L278 HydrophobicContact CE2-CB 4.27Å; Y190-Y306 VanDerWaalsContact CA-OH 3.31Å; Y190-Y306 WeakPolarHBondContact CA-OH 3.43Å; Y190-Y306 HydrophobicContact CD2-CD1 4.43Å; Y190-Y306 AromaticContact CD2-CE1 3.47Å; Y190-Y306 HydrophobicContact CD2-CE1 3.47Å; Y190-Y306 VanDerWaalsContact CD2-CE1 3.47Å; Y190-Y306 HydrophobicContact CE2-CE1 4.07Å; Y190-Y306 HydrophobicContact CG-CE1 4.19Å
191	E	98.4	Very high	98.4	Very high	77 Å²	77	52.9 Å²	52.9	36%	0.36	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-36.3	176.4	-67	-51.8	140.8	0	0	112.9	L187 T189 V193 R194 L195	L187-E191 PolarHBondContact O-N 3.34Å; T189-E191 PolarHBondContact O-N 2.95Å; E191-V193 VanDerWaalsContact C-N 3.33Å; E191-V193 PolarHBondContact O-N 3.35Å; E191-R194 PolarHBondContact O-N 2.66Å; E191-R194 IonicContact OE1-NE 2.63Å; E191-R194 IonicContact OE2-NE 3.81Å; E191-R194 PolarHBondContact OE2-NE 3.11Å; E191-L195 WeakPolarHBondContact O-CG 3.27Å; E191-L195 PolarHBondContact O-N 3.27Å
192	S	98.6	Very high	98.4	Very high	47 Å²	47	56.7 Å²	56.7	33%	0.329	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-40.6	177	-58.1	0	0	0	0	112.1	K188 T189 Y190 A196	K188-S192 PolarHBondContact O-N 3.29Å; K188-S192 PolarHBondContact O-OG 2.88Å; T189-S192 WeakPolarHBondContact O-CB 3.41Å; T189-S192 PolarHBondContact O-N 3.17Å; T189-S192 VanDerWaalsContact O-N 3.13Å; Y190-S192 VanDerWaalsContact C-N 3.32Å; Y190-S192 PolarHBondContact O-N 3.45Å; S192-A196 PolarHBondContact O-N 3.02Å; S192-A196 VanDerWaalsContact O-N 3.16Å
193	V	98.7	Very high	98.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-69.9	-38.9	175.7	-178.8	0	0	0	0	111.2	L76 L176 T189 Y190 E191 L195 A196 Y197 Y306	L76-V193 HydrophobicContact CD1-CG2 4.06Å; L176-V193 HydrophobicContact CD2-CG2 3.93Å; T189-V193 WeakPolarHBondContact O-CG2 3.49Å; T189-V193 PolarHBondContact O-N 2.72Å; Y190-V193 PolarHBondContact O-N 2.84Å; E191-V193 VanDerWaalsContact C-N 3.33Å; E191-V193 PolarHBondContact O-N 3.35Å; V193-L195 VanDerWaalsContact C-N 3.32Å; V193-L195 PolarHBondContact O-N 3.26Å; V193-A196 WeakPolarHBondContact O-CA 3.3Å; V193-A196 WeakPolarHBondContact O-CB 3.2Å; V193-A196 PolarHBondContact O-N 3.09Å; V193-A196 VanDerWaalsContact O-N 3.08Å; V193-Y197 HydrophobicContact CG1-CD1 4.13Å; V193-Y197 HydrophobicContact CG1-CE1 3.74Å; V193-Y197 WeakPolarHBondContact O-CD1 3.49Å; V193-Y197 PolarHBondContact O-N 2.87Å; V193-Y306 HydrophobicContact CB-CD1 3.68Å; V193-Y306 HydrophobicContact CB-CE1 3.7Å; V193-Y306 HydrophobicContact CB-CG 4.21Å; V193-Y306 HydrophobicContact CG1-CD1 3.38Å; V193-Y306 HydrophobicContact CG1-CD2 4.27Å; V193-Y306 HydrophobicContact CG1-CE1 3.96Å; V193-Y306 HydrophobicContact CG1-CG 3.57Å; V193-Y306 HydrophobicContact CG2-CD1 4.19Å; V193-Y306 HydrophobicContact CG2-CD2 4.39Å; V193-Y306 HydrophobicContact CG2-CE1 3.98Å; V193-Y306 HydrophobicContact CG2-CE2 4.2Å; V193-Y306 HydrophobicContact CG2-CG 4.4Å
194	R	98.2	Very high	98.4	Very high	44 Å²	44	53.2 Å²	53.2	17%	0.166	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-41.7	175.1	-69.7	174.7	49.8	73.9	-4.3	112.3	Y190 E191 A196 Y197 G198 C210 H224 Y226	Y190-R194 HydrophobicContact CD1-CG 4.38Å; Y190-R194 HydrophobicContact CE1-CG 4.22Å; Y190-R194 WeakPolarHBondContact O-CG 3.35Å; Y190-R194 PolarHBondContact O-N 3.13Å; E191-R194 PolarHBondContact O-N 2.66Å; E191-R194 IonicContact OE1-NE 2.63Å; E191-R194 IonicContact OE2-NE 3.81Å; E191-R194 PolarHBondContact OE2-NE 3.11Å; R194-A196 VanDerWaalsContact C-N 3.32Å; R194-A196 PolarHBondContact O-N 2.82Å; R194-Y197 WeakPolarHBondContact O-CB 3.25Å; R194-Y197 PolarHBondContact O-N 3.26Å; R194-G198 PolarHBondContact O-N 3.28Å; R194-C210 PolarHBondContact NH1-SG 3.14Å; R194-C210 PolarHBondContact NH2-SG 2.89Å; R194-H224 PolarHBondContact NH1-ND1 2.8Å; R194-Y226 WeakPolarHBondContact CA-OH 3.11Å; R194-Y226 WeakPolarHBondContact CB-OH 3.12Å; R194-Y226 VanDerWaalsContact CG-OH 3.3Å; R194-Y226 WeakPolarHBondContact CG-OH 3.43Å; R194-Y226 PolarHBondContact NH1-OH 2.03Å; R194-Y226 VanDerWaalsContact NH1-OH 3.15Å
195	L	98.4	Very high	98.2	Very high	112 Å²	112	48.3 Å²	48.3	59%	0.586	24%	0.242	S	C	*	.	H	α-helix	trans	-64.6	-36	173.9	-68.9	175.1	0	0	0	112.2	E191 V193 Y197 G198 R199	E191-L195 WeakPolarHBondContact O-CG 3.27Å; E191-L195 PolarHBondContact O-N 3.27Å; V193-L195 VanDerWaalsContact C-N 3.32Å; V193-L195 PolarHBondContact O-N 3.26Å; L195-Y197 VanDerWaalsContact C-N 3.34Å; L195-G198 PolarHBondContact O-N 3.32Å; L195-R199 PolarHBondContact O-N 2.97Å
196	A	98.6	Very high	98.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-40.1	172.9	0	0	0	0	0	111.7	M73 L76 S192 V193 R194 G198 R199 I200	M73-A196 HydrophobicContact CE-CB 4.27Å; L76-A196 HydrophobicContact CD1-CB 3.81Å; L76-A196 HydrophobicContact CD2-CB 4.34Å; L76-A196 HydrophobicContact CG-CB 4.24Å; S192-A196 PolarHBondContact O-N 3.02Å; S192-A196 VanDerWaalsContact O-N 3.16Å; V193-A196 WeakPolarHBondContact O-CA 3.3Å; V193-A196 WeakPolarHBondContact O-CB 3.2Å; V193-A196 PolarHBondContact O-N 3.09Å; V193-A196 VanDerWaalsContact O-N 3.08Å; R194-A196 VanDerWaalsContact C-N 3.32Å; R194-A196 PolarHBondContact O-N 2.82Å; A196-G198 VanDerWaalsContact C-N 3.35Å; A196-G198 PolarHBondContact O-N 3.13Å; A196-R199 WeakPolarHBondContact O-CB 3.25Å; A196-R199 PolarHBondContact O-N 2.95Å; A196-R199 VanDerWaalsContact O-N 3.09Å; A196-I200 WeakPolarHBondContact O-CG1 3.36Å; A196-I200 PolarHBondContact O-N 3.3Å
197	Y	98.7	Very high	97.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-43.6	174.7	-79.2	27.2	0	0	0	111.1	K174 V193 R194 L195 R199 I200 F201 Y226 A274 T276 Y306 G307 I308	K174-Y197 PolarHBondContact NZ-OH 3.31Å; V193-Y197 HydrophobicContact CG1-CD1 4.13Å; V193-Y197 HydrophobicContact CG1-CE1 3.74Å; V193-Y197 WeakPolarHBondContact O-CD1 3.49Å; V193-Y197 PolarHBondContact O-N 2.87Å; R194-Y197 WeakPolarHBondContact O-CB 3.25Å; R194-Y197 PolarHBondContact O-N 3.26Å; L195-Y197 VanDerWaalsContact C-N 3.34Å; Y197-R199 VanDerWaalsContact C-N 3.25Å; Y197-R199 PolarHBondContact O-N 2.9Å; Y197-I200 HydrophobicContact CD1-CD1 4.18Å; Y197-I200 WeakPolarHBondContact O-CB 3.28Å; Y197-I200 PolarHBondContact O-N 3.46Å; Y197-I200 VanDerWaalsContact O-N 3.12Å; Y197-F201 HydrophobicContact CD2-CZ 4.45Å; Y197-F201 WeakPolarHBondContact O-CD2 3.4Å; Y197-F201 VanDerWaalsContact O-CG 3.28Å; Y197-F201 WeakPolarHBondContact O-CG 3.08Å; Y197-F201 PolarHBondContact O-N 3.38Å; Y197-Y226 HydrophobicContact CD2-CD2 4.02Å; Y197-Y226 AromaticContact CD2-CE2 3.67Å; Y197-Y226 HydrophobicContact CD2-CE2 3.67Å; Y197-Y226 AromaticContact CD2-CZ 3.94Å; Y197-Y226 HydrophobicContact CE2-CE2 4.29Å; Y197-A274 HydrophobicContact CD2-CB 3.98Å; Y197-A274 HydrophobicContact CE2-CB 3.77Å; Y197-T276 HydrophobicContact CD2-CG2 4.06Å; Y197-T276 HydrophobicContact CE2-CG2 3.6Å; Y197-Y306 WeakPolarHBondContact OH-CA 3.28Å; Y197-Y306 WeakPolarHBondContact OH-CB 3.29Å; Y197-Y306 PolarHBondContact OH-O 3.1Å; Y197-G307 PolarHBondContact OH-N 3.48Å; Y197-I308 HydrophobicContact CD1-CD1 4.04Å; Y197-I308 HydrophobicContact CD2-CD1 4.32Å; Y197-I308 HydrophobicContact CD2-CG1 4.19Å; Y197-I308 HydrophobicContact CE1-CD1 3.77Å; Y197-I308 HydrophobicContact CE1-CG1 4.12Å; Y197-I308 HydrophobicContact CE2-CD1 4.06Å; Y197-I308 HydrophobicContact CE2-CG1 3.61Å; Y197-I308 HydrophobicContact CG-CD1 4.31Å
198	G	98	Very high	97.6	Very high	27 Å²	27	51.7 Å²	51.7	28%	0.278	26%	0.26	S	S	.	.	H	α-helix	trans	-58	-34.3	172.5	0	0	0	0	0	113.6	R194 L195 A196 R202	R194-G198 PolarHBondContact O-N 3.28Å; L195-G198 PolarHBondContact O-N 3.32Å; A196-G198 VanDerWaalsContact C-N 3.35Å; A196-G198 PolarHBondContact O-N 3.13Å; G198-R202 WeakPolarHBondContact O-CB 3.47Å; G198-R202 VanDerWaalsContact O-CG 3.32Å; G198-R202 WeakPolarHBondContact O-CG 3.36Å; G198-R202 PolarHBondContact O-N 3.45Å; G198-R202 VanDerWaalsContact O-N 3.15Å; G198-R202 PolarHBondContact O-NE 3.1Å
199	R	98.4	Very high	97.5	Very high	79 Å²	79	45.4 Å²	45.4	30%	0.298	23%	0.233	S	C	.	.	H	α-helix	trans	-71.3	-42.5	172.2	-71.4	-171.7	-57.6	-89.8	2.5	112.5	E72 L195 A196 Y197 F201 R202 R203	E72-R199 WeakPolarHBondContact OE2-CB 3.36Å; E72-R199 IonicContact OE2-CZ 3.3Å; E72-R199 IonicContact OE2-NE 3.56Å; E72-R199 PolarHBondContact OE2-NE 2.99Å; E72-R199 IonicContact OE2-NH2 2.76Å; E72-R199 PolarHBondContact OE2-NH2 3.37Å; L195-R199 PolarHBondContact O-N 2.97Å; A196-R199 WeakPolarHBondContact O-CB 3.25Å; A196-R199 PolarHBondContact O-N 2.95Å; A196-R199 VanDerWaalsContact O-N 3.09Å; Y197-R199 VanDerWaalsContact C-N 3.25Å; Y197-R199 PolarHBondContact O-N 2.9Å; R199-F201 VanDerWaalsContact C-N 3.34Å; R199-F201 PolarHBondContact O-N 2.83Å; R199-R202 PolarHBondContact O-N 3.48Å; R199-R203 WeakPolarHBondContact O-CB 3.42Å; R199-R203 WeakPolarHBondContact O-CG 3.28Å; R199-R203 PolarHBondContact O-N 2.83Å
200	I	98.7	Very high	97.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-54.4	-52.4	174.3	-66.5	167.9	0	0	0	109.7	I68 V69 E72 M73 A196 Y197 R202 R203 I204 I308	I68-I200 HydrophobicContact CG2-CG2 4.35Å; V69-I200 HydrophobicContact CB-CD1 4.47Å; V69-I200 HydrophobicContact CG1-CD1 4.3Å; V69-I200 HydrophobicContact CG2-CD1 4.2Å; V69-I200 HydrophobicContact CG2-CG2 4.07Å; E72-I200 HydrophobicContact CB-CD1 4.1Å; E72-I200 HydrophobicContact CB-CG1 3.75Å; E72-I200 HydrophobicContact CG-CD1 4.46Å; E72-I200 HydrophobicContact CG-CG1 3.57Å; M73-I200 HydrophobicContact CE-CD1 4.14Å; A196-I200 WeakPolarHBondContact O-CG1 3.36Å; A196-I200 PolarHBondContact O-N 3.3Å; Y197-I200 HydrophobicContact CD1-CD1 4.18Å; Y197-I200 WeakPolarHBondContact O-CB 3.28Å; Y197-I200 PolarHBondContact O-N 3.46Å; Y197-I200 VanDerWaalsContact O-N 3.12Å; I200-R202 PolarHBondContact O-N 3.45Å; I200-R203 PolarHBondContact O-N 2.82Å; I200-R203 VanDerWaalsContact O-N 3.13Å; I200-I204 WeakPolarHBondContact O-CG1 2.76Å; I200-I204 PolarHBondContact O-N 2.91Å; I200-I204 VanDerWaalsContact O-N 3.1Å; I200-I308 HydrophobicContact CD1-CD1 3.72Å
201	F	98.4	Very high	97.3	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-40.7	-177.8	-59.7	-38	0	0	0	112.7	Y197 R199 R203 I204 A205 I206 A208 Y226 I273 A274	Y197-F201 HydrophobicContact CD2-CZ 4.45Å; Y197-F201 WeakPolarHBondContact O-CD2 3.4Å; Y197-F201 VanDerWaalsContact O-CG 3.28Å; Y197-F201 WeakPolarHBondContact O-CG 3.08Å; Y197-F201 PolarHBondContact O-N 3.38Å; R199-F201 VanDerWaalsContact C-N 3.34Å; R199-F201 PolarHBondContact O-N 2.83Å; F201-R203 PolarHBondContact O-N 3.21Å; F201-I204 HydrophobicContact CD1-CD1 4.32Å; F201-I204 CarbonylContact O-C 3.54Å; F201-I204 WeakPolarHBondContact O-CG1 3.1Å; F201-I204 PolarHBondContact O-N 2.96Å; F201-A205 PolarHBondContact O-N 2.97Å; F201-A205 VanDerWaalsContact O-N 3.09Å; F201-I206 HydrophobicContact CB-CD1 4.39Å; F201-I206 HydrophobicContact CB-CG1 3.78Å; F201-I206 HydrophobicContact CD1-CD1 3.75Å; F201-I206 HydrophobicContact CD1-CG1 4.1Å; F201-I206 HydrophobicContact CE1-CD1 4.44Å; F201-I206 HydrophobicContact CG-CD1 4.33Å; F201-I206 HydrophobicContact CG-CG1 4.23Å; F201-I206 PolarHBondContact O-N 3.14Å; F201-A208 HydrophobicContact CB-CB 4.19Å; F201-A208 HydrophobicContact CD1-CB 4.22Å; F201-A208 HydrophobicContact CD2-CB 3.4Å; F201-A208 HydrophobicContact CE1-CB 4.5Å; F201-A208 HydrophobicContact CE2-CB 3.73Å; F201-A208 HydrophobicContact CG-CB 3.67Å; F201-A208 HydrophobicContact CZ-CB 4.27Å; F201-Y226 HydrophobicContact CD2-CD1 4.29Å; F201-Y226 AromaticContact CE2-CD1 3.47Å; F201-Y226 HydrophobicContact CE2-CD1 3.47Å; F201-Y226 VanDerWaalsContact CE2-CD1 3.47Å; F201-Y226 HydrophobicContact CE2-CE1 4.02Å; F201-Y226 AromaticContact CE2-CG 3.84Å; F201-Y226 HydrophobicContact CE2-CG 3.84Å; F201-Y226 HydrophobicContact CZ-CD1 4.31Å; F201-Y226 HydrophobicContact CZ-CG 4.24Å; F201-I273 HydrophobicContact CD1-CD1 4.27Å; F201-I273 HydrophobicContact CE1-CD1 3.69Å; F201-I273 HydrophobicContact CZ-CD1 3.93Å; F201-I273 HydrophobicContact CZ-CG1 4.45Å; F201-A274 HydrophobicContact CZ-CB 4.08Å
202	R	97.9	Very high	97.2	Very high	181 Å²	181	46.7 Å²	46.7	68%	0.683	24%	0.242	S	C	*	.	H	α-helix	trans	-62.2	-40.7	172	-75.4	-174.6	-66.4	-178.3	0	112.9	G198 R199 I200 I204 A205	G198-R202 WeakPolarHBondContact O-CB 3.47Å; G198-R202 VanDerWaalsContact O-CG 3.32Å; G198-R202 WeakPolarHBondContact O-CG 3.36Å; G198-R202 PolarHBondContact O-N 3.45Å; G198-R202 VanDerWaalsContact O-N 3.15Å; G198-R202 PolarHBondContact O-NE 3.1Å; R199-R202 PolarHBondContact O-N 3.48Å; I200-R202 PolarHBondContact O-N 3.45Å; R202-I204 VanDerWaalsContact C-N 3.27Å; R202-I204 PolarHBondContact O-N 3.24Å; R202-A205 PolarHBondContact O-N 3.09Å
203	R	98	Very high	97	Very high	92 Å²	92	44.6 Å²	44.6	35%	0.347	23%	0.228	S	C	.	.	H	α-helix	trans	-67	-26.6	178.6	-74.5	177.1	66.3	-174.3	-2.1	113.5	I68 D71 E72 R199 I200 F201 S332	I68-R203 HydrophobicContact CG2-CB 3.94Å; I68-R203 PolarHBondContact O-NH1 3.49Å; D71-R203 IonicContact OD2-CZ 3.79Å; D71-R203 IonicContact OD2-NH1 3.73Å; D71-R203 IonicContact OD2-NH2 3.74Å; D71-R203 PolarHBondContact OD2-NH2 2.8Å; E72-R203 WeakPolarHBondContact OE1-CD 3.17Å; E72-R203 IonicContact OE1-CZ 3.94Å; E72-R203 IonicContact OE1-NE 3.44Å; E72-R203 IonicContact OE1-NH1 3.29Å; E72-R203 PolarHBondContact OE1-NH1 3.46Å; R199-R203 WeakPolarHBondContact O-CB 3.42Å; R199-R203 WeakPolarHBondContact O-CG 3.28Å; R199-R203 PolarHBondContact O-N 2.83Å; I200-R203 PolarHBondContact O-N 2.82Å; I200-R203 VanDerWaalsContact O-N 3.13Å; F201-R203 PolarHBondContact O-N 3.21Å; R203-S332 WeakPolarHBondContact O-CB 3.34Å; R203-S332 PolarHBondContact O-OG 3.47Å
204	I	97.2	Very high	96.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	14.1	171.3	67.4	179	0	0	0	112.9	L65 I68 I200 F201 R202 I206 L313 L317 P330 S332 I333	L65-I204 HydrophobicContact CD1-CD1 4.23Å; L65-I204 HydrophobicContact CD1-CG2 4.12Å; I68-I204 HydrophobicContact CD1-CG2 3.58Å; I68-I204 HydrophobicContact CG2-CG2 4.39Å; I200-I204 WeakPolarHBondContact O-CG1 2.76Å; I200-I204 PolarHBondContact O-N 2.91Å; I200-I204 VanDerWaalsContact O-N 3.1Å; F201-I204 HydrophobicContact CD1-CD1 4.32Å; F201-I204 CarbonylContact O-C 3.54Å; F201-I204 WeakPolarHBondContact O-CG1 3.1Å; F201-I204 PolarHBondContact O-N 2.96Å; R202-I204 VanDerWaalsContact C-N 3.27Å; R202-I204 PolarHBondContact O-N 3.24Å; I204-I206 VanDerWaalsContact C-N 3.33Å; I204-I206 HydrophobicContact CD1-CD1 3.67Å; I204-I206 HydrophobicContact CD1-CG1 4.12Å; I204-I206 HydrophobicContact CG1-CD1 4.05Å; I204-I206 HydrophobicContact CG1-CG1 3.9Å; I204-I206 HydrophobicContact CG1-CG2 4.3Å; I204-I206 WeakPolarHBondContact O-CG2 3.47Å; I204-I206 PolarHBondContact O-N 3.2Å; I204-L313 HydrophobicContact CD1-CD1 4.28Å; I204-L313 HydrophobicContact CD1-CD2 3.88Å; I204-L313 HydrophobicContact CD1-CG 4.39Å; I204-L317 HydrophobicContact CD1-CD1 4.5Å; I204-P330 WeakPolarHBondContact O-CB 3.49Å; I204-P330 WeakPolarHBondContact O-CG 3.37Å; I204-S332 WeakPolarHBondContact CA-OG 3.49Å; I204-I333 HydrophobicContact CG2-CG2 3.78Å
205	A	95.4	Very high	96.5	Very high	77 Å²	77	46 Å²	46	64%	0.636	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	42.9	175	0	0	0	0	0	114.5	F201 R202	F201-A205 PolarHBondContact O-N 2.97Å; F201-A205 VanDerWaalsContact O-N 3.09Å; R202-A205 PolarHBondContact O-N 3.09Å
206	I	94.7	Very high	96.1	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.067	25%	0.25	C	S	.	.			trans	-119	150.4	174.3	72.1	178.9	0	0	0	113.3	F201 I204 L228 I273 L313 L317 Y321	F201-I206 HydrophobicContact CB-CD1 4.39Å; F201-I206 HydrophobicContact CB-CG1 3.78Å; F201-I206 HydrophobicContact CD1-CD1 3.75Å; F201-I206 HydrophobicContact CD1-CG1 4.1Å; F201-I206 HydrophobicContact CE1-CD1 4.44Å; F201-I206 HydrophobicContact CG-CD1 4.33Å; F201-I206 HydrophobicContact CG-CG1 4.23Å; F201-I206 PolarHBondContact O-N 3.14Å; I204-I206 VanDerWaalsContact C-N 3.33Å; I204-I206 HydrophobicContact CD1-CD1 3.67Å; I204-I206 HydrophobicContact CD1-CG1 4.12Å; I204-I206 HydrophobicContact CG1-CD1 4.05Å; I204-I206 HydrophobicContact CG1-CG1 3.9Å; I204-I206 HydrophobicContact CG1-CG2 4.3Å; I204-I206 WeakPolarHBondContact O-CG2 3.47Å; I204-I206 PolarHBondContact O-N 3.2Å; I206-L228 HydrophobicContact CB-CD1 4.37Å; I206-I273 HydrophobicContact CD1-CD1 3.99Å; I206-L313 HydrophobicContact CD1-CD1 3.83Å; I206-L317 HydrophobicContact CB-CD2 4.38Å; I206-L317 HydrophobicContact CD1-CD2 4.05Å; I206-L317 HydrophobicContact CG2-CD2 3.22Å; I206-Y321 HydrophobicContact CG2-CE2 3.62Å; I206-Y321 WeakPolarHBondContact CG2-OH 3.48Å
207	D	90.8	Very high	95.6	Very high	140 Å²	140	47.2 Å²	47.2	75%	0.749	28%	0.275	S	S	*	.			trans	-98.9	89.6	172.3	-169.5	17.5	0	0	0	109.7
208	A	96.6	Very high	95.2	Very high	18 Å²	18	48.2 Å²	48.2	15%	0.149	28%	0.28	C	S	.	.			trans	-85	118.6	177.5	0	0	0	0	0	110.2	F201 C210 H227 I273	F201-A208 HydrophobicContact CB-CB 4.19Å; F201-A208 HydrophobicContact CD1-CB 4.22Å; F201-A208 HydrophobicContact CD2-CB 3.4Å; F201-A208 HydrophobicContact CE1-CB 4.5Å; F201-A208 HydrophobicContact CE2-CB 3.73Å; F201-A208 HydrophobicContact CG-CB 3.67Å; F201-A208 HydrophobicContact CZ-CB 4.27Å; A208-C210 PolarHBondContact O-N 3.15Å; A208-H227 CarbonylContact C-O 3.57Å; A208-I273 HydrophobicContact CB-CD1 3.92Å
209	L	96.4	Very high	95	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.131	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115.3	175.9	-171.7	65.9	0	0	0	110.1	V211 Y226 H227 L229 I237 K246	L209-V211 HydrophobicContact CD2-CG1 3.93Å; L209-V211 HydrophobicContact CG-CG1 3.87Å; L209-Y226 CarbonylContact O-C 3.56Å; L209-Y226 WeakPolarHBondContact O-CA 3.31Å; L209-H227 HydrophobicContact CB-CB 4.47Å; L209-H227 PolarHBondContact N-O 3.44Å; L209-H227 PolarHBondContact O-N 3.12Å; L209-L229 HydrophobicContact CB-CD2 4.45Å; L209-L229 HydrophobicContact CD2-CD2 3.87Å; L209-I237 HydrophobicContact CD2-CG2 4.01Å; L209-K246 HydrophobicContact CD1-CD 3.49Å; L209-K246 VanDerWaalsContact CD1-CD 3.49Å; L209-K246 HydrophobicContact CD2-CD 4.23Å; L209-K246 HydrophobicContact CG-CD 4.15Å
210	C	96.8	Very high	94.8	Very high	39 Å²	39	45 Å²	45	26%	0.264	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.4	171.3	-172.2	0	0	0	0	110.8	R194 A208 E225 Y226	R194-C210 PolarHBondContact NH1-SG 3.14Å; R194-C210 PolarHBondContact NH2-SG 2.89Å; A208-C210 PolarHBondContact O-N 3.15Å; C210-E225 WeakPolarHBondContact CA-O 3.38Å; C210-Y226 HydrophobicContact CB-CD1 3.81Å; C210-Y226 HydrophobicContact CB-CE1 3.75Å
211	V	96.7	Very high	94.5	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.6	-177.8	-53.6	0	0	0	0	110.9	L209 H224 E225 I237 K246 T248	L209-V211 HydrophobicContact CD2-CG1 3.93Å; L209-V211 HydrophobicContact CG-CG1 3.87Å; V211-H224 WeakPolarHBondContact O-CA 3.16Å; V211-H224 WeakPolarHBondContact O-CB 3.45Å; V211-H224 PolarHBondContact O-CD2 3.43Å; V211-E225 HydrophobicContact CG2-CB 4.04Å; V211-E225 PolarHBondContact N-O 3.09Å; V211-E225 PolarHBondContact O-N 3.34Å; V211-I237 HydrophobicContact CG1-CD1 4.25Å; V211-I237 HydrophobicContact CG1-CG2 3.76Å; V211-I237 HydrophobicContact CG2-CD1 3.92Å; V211-K246 HydrophobicContact CB-CB 4.27Å; V211-K246 HydrophobicContact CG1-CB 3.75Å; V211-T248 HydrophobicContact CG2-CG2 3.73Å
212	Q	96	Very high	94.5	Very high	77 Å²	77	51.2 Å²	51.2	36%	0.36	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136.5	171.3	-175.1	173.4	-2.4	0	0	110	K246 V247 T248 F251	Q212-K246 PolarHBondContact N-O 2.88Å; Q212-K246 VanDerWaalsContact N-O 3.12Å; Q212-V247 HydrophobicContact CB-CG1 4.27Å; Q212-V247 VanDerWaalsContact O-CA 3.31Å; Q212-V247 WeakPolarHBondContact O-CA 3.45Å; Q212-T248 PolarHBondContact O-N 2.79Å; Q212-F251 HydrophobicContact CG-CD2 4.46Å; Q212-F251 HydrophobicContact CG-CE1 4.19Å; Q212-F251 HydrophobicContact CG-CE2 4.05Å; Q212-F251 HydrophobicContact CG-CZ 3.91Å
213	A	95.5	Very high	94.4	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.025	28%	0.276	C	S	.	.			trans	-126.7	169.8	-174.8	0	0	0	0	0	111.8	S223 E225 T248 F251	A213-S223 VanDerWaalsContact C-OG 3.26Å; A213-S223 PolarHBondContact N-O 2.88Å; A213-S223 VanDerWaalsContact N-O 3.12Å; A213-S223 PolarHBondContact O-OG 2.74Å; A213-E225 HydrophobicContact CB-CB 4.15Å; A213-E225 HydrophobicContact CB-CG 3.56Å; A213-E225 WeakPolarHBondContact CB-OE1 3.36Å; A213-T248 HydrophobicContact CB-CG2 3.88Å; A213-F251 VanDerWaalsContact C-CD2 3.45Å; A213-F251 WeakPolarHBondContact O-CD2 3.48Å
214	G	92.4	Very high	94.4	Very high	29 Å²	29	39.7 Å²	39.7	30%	0.299	27%	0.266	S	S	.	.			trans	-78.1	152.5	169.4	0	0	0	0	0	111	G216 S223	G214-G216 VanDerWaalsContact C-N 3.34Å; G214-S223 PolarHBondContact O-OG 2.92Å
215	V	92.2	Very high	94.5	Very high	44 Å²	44	40.4 Å²	40.4	27%	0.267	27%	0.27	S	S	.	.			trans	-80.4	-16.7	178.6	-63.7	0	0	0	0	113.5	I218 G219	V215-I218 PolarHBondContact O-N 3Å; V215-G219 PolarHBondContact O-N 3.13Å
216	G	89.9	Confident	94.6	Very high	64 Å²	64	37.2 Å²	37.2	66%	0.66	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	-149.1	176	0	0	0	0	0	114.2	G214 I218 G219	G214-G216 VanDerWaalsContact C-N 3.34Å; G216-I218 VanDerWaalsContact C-N 3.28Å; G216-I218 PolarHBondContact O-N 3.01Å; G216-G219 PolarHBondContact O-N 3.19Å
217	S	88.3	Confident	94.8	Very high	74 Å²	74	36.6 Å²	36.6	52%	0.517	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.4	178	60.6	0	0	0	0	113.8	R97 G219	R97-S217 PolarHBondContact NE-O 3.37Å; S217-G219 VanDerWaalsContact C-N 3.26Å
218	I	91.2	Very high	95	Very high	22 Å²	22	30.1 Å²	30.1	11%	0.113	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-35.1	172	-59.6	-63.5	0	0	0	110	T125 V215 G216 F277 L279 Y283	T125-I218 HydrophobicContact CG2-CD1 4.06Å; V215-I218 PolarHBondContact O-N 3Å; G216-I218 VanDerWaalsContact C-N 3.28Å; G216-I218 PolarHBondContact O-N 3.01Å; I218-F277 HydrophobicContact CB-CD1 4.13Å; I218-F277 HydrophobicContact CB-CE1 3.83Å; I218-F277 HydrophobicContact CB-CZ 4.08Å; I218-F277 HydrophobicContact CG1-CE1 4.18Å; I218-F277 HydrophobicContact CG1-CE2 4.4Å; I218-F277 HydrophobicContact CG1-CZ 3.93Å; I218-F277 HydrophobicContact CG2-CB 4.48Å; I218-F277 HydrophobicContact CG2-CD1 3.84Å; I218-F277 HydrophobicContact CG2-CD2 4.14Å; I218-F277 HydrophobicContact CG2-CE1 4Å; I218-F277 HydrophobicContact CG2-CE2 4.28Å; I218-F277 HydrophobicContact CG2-CG 3.91Å; I218-F277 HydrophobicContact CG2-CZ 4.21Å; I218-L279 HydrophobicContact CG2-CD2 3.71Å; I218-Y283 WeakPolarHBondContact O-CE2 3.08Å; I218-Y283 PolarHBondContact O-OH 3.24Å
219	G	92.6	Very high	94.9	Very high	12 Å²	12	32.8 Å²	32.8	12%	0.124	22%	0.215	C	C	.	.			trans	73	-173	-179.3	0	0	0	0	0	112.9	V215 G216 S217 L279	V215-G219 PolarHBondContact O-N 3.13Å; G216-G219 PolarHBondContact O-N 3.19Å; S217-G219 VanDerWaalsContact C-N 3.26Å; G219-L279 WeakPolarHBondContact O-CD2 3.28Å
220	G	94.2	Very high	94.7	Very high	27 Å²	27	32.3 Å²	32.3	28%	0.278	21%	0.214	S	C	.	.			trans	116	-171.6	-172.8	0	0	0	0	0	112.3	L278	G220-L278 CarbonylContact C-O 3.47Å; G220-L278 WeakPolarHBondContact CA-O 3.26Å
221	T	94.4	Very high	94.3	Very high	94 Å²	94	35.3 Å²	35.3	58%	0.577	24%	0.235	S	C	*	.	S	Bend	trans	-111.7	-23.5	-175.7	54.3	0	0	0	0	113.3	L278	T221-L278 PolarHBondContact N-O 2.99Å
222	L	96.4	Very high	93.8	Very high	42 Å²	42	36.7 Å²	36.7	22%	0.22	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	138.8	-178.6	178.7	65.4	0	0	0	109.8	L187 Y190 F277 L278	L187-L222 HydrophobicContact CD1-CD2 4.32Å; Y190-L222 HydrophobicContact CD1-CD2 4.23Å; Y190-L222 HydrophobicContact CE1-CD2 3.7Å; Y190-L222 HydrophobicContact CE1-CG 4.25Å; L222-F277 WeakPolarHBondContact O-CA 3.48Å; L222-L278 HydrophobicContact CB-CB 4.01Å; L222-L278 HydrophobicContact CB-CD2 4.42Å; L222-L278 PolarHBondContact O-N 2.85Å
223	S	97.7	Very high	93.4	Very high	1 Å²	1	33 Å²	33	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.3	169.3	65.5	0	0	0	0	112.7	A213 G214 T276	A213-S223 VanDerWaalsContact C-OG 3.26Å; A213-S223 PolarHBondContact N-O 2.88Å; A213-S223 VanDerWaalsContact N-O 3.12Å; A213-S223 PolarHBondContact O-OG 2.74Å; G214-S223 PolarHBondContact O-OG 2.92Å; S223-T276 CarbonylContact C-O 3.54Å; S223-T276 WeakPolarHBondContact CA-O 2.94Å; S223-T276 WeakPolarHBondContact CB-O 3.48Å
224	H	98	Very high	93	Very high	30 Å²	30	35.2 Å²	35.2	14%	0.139	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.7	173.3	-67.5	91.1	0	0	0	110.4	Y190 R194 V211 H275 T276	Y190-H224 AromaticContact CE1-ND1 3.66Å; Y190-H224 AromaticContact CZ-ND1 3.68Å; Y190-H224 PolarHBondContact OH-N 2.97Å; Y190-H224 PolarHBondContact OH-ND1 3.2Å; R194-H224 PolarHBondContact NH1-ND1 2.8Å; V211-H224 WeakPolarHBondContact O-CA 3.16Å; V211-H224 WeakPolarHBondContact O-CB 3.45Å; V211-H224 PolarHBondContact O-CD2 3.43Å; H224-H275 PolarHBondContact O-CD2 3.49Å; H224-T276 PolarHBondContact N-O 3.02Å; H224-T276 PolarHBondContact O-N 3.03Å; H224-T276 PolarHBondContact O-OG1 2.83Å; H224-T276 VanDerWaalsContact O-OG1 3.12Å
225	E	97.9	Very high	93	Very high	16 Å²	16	35.8 Å²	35.8	8%	0.075	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	154.1	172.5	-74.4	173.4	-152.1	0	0	110.5	C210 V211 A213 H227 T248 E272 H275	C210-E225 WeakPolarHBondContact CA-O 3.38Å; V211-E225 HydrophobicContact CG2-CB 4.04Å; V211-E225 PolarHBondContact N-O 3.09Å; V211-E225 PolarHBondContact O-N 3.34Å; A213-E225 HydrophobicContact CB-CB 4.15Å; A213-E225 HydrophobicContact CB-CG 3.56Å; A213-E225 WeakPolarHBondContact CB-OE1 3.36Å; E225-H227 WeakPolarHBondContact CB-NE2 3.43Å; E225-H227 IonicContact OE2-CD2 3.88Å; E225-H227 IonicContact OE2-CE1 2.84Å; E225-H227 PolarHBondContact OE2-CE1 2.82Å; E225-H227 IonicContact OE2-NE2 3.15Å; E225-H227 PolarHBondContact OE2-NE2 3.39Å; E225-T248 HydrophobicContact CB-CG2 4.44Å; E225-T248 HydrophobicContact CG-CG2 4.48Å; E225-T248 WeakPolarHBondContact OE2-CG2 3.12Å; E225-E272 HydrophobicContact CG-CG 4.33Å; E225-H275 WeakPolarHBondContact CG-CE1 3.29Å; E225-H275 VanDerWaalsContact CG-ND1 3.28Å; E225-H275 WeakPolarHBondContact CG-ND1 3.31Å; E225-H275 IonicContact OE1-CE1 3.48Å; E225-H275 PolarHBondContact OE1-CE1 3.16Å; E225-H275 IonicContact OE1-ND1 3.15Å
226	Y	98.4	Very high	93.1	Very high	9 Å²	9	35.4 Å²	35.4	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.7	175	-61.8	-97.9	0	0	0	108.6	R194 Y197 F201 L209 C210 I273 A274 T276	R194-Y226 WeakPolarHBondContact CA-OH 3.11Å; R194-Y226 WeakPolarHBondContact CB-OH 3.12Å; R194-Y226 VanDerWaalsContact CG-OH 3.3Å; R194-Y226 WeakPolarHBondContact CG-OH 3.43Å; R194-Y226 PolarHBondContact NH1-OH 2.03Å; R194-Y226 VanDerWaalsContact NH1-OH 3.15Å; Y197-Y226 HydrophobicContact CD2-CD2 4.02Å; Y197-Y226 AromaticContact CD2-CE2 3.67Å; Y197-Y226 HydrophobicContact CD2-CE2 3.67Å; Y197-Y226 AromaticContact CD2-CZ 3.94Å; Y197-Y226 HydrophobicContact CE2-CE2 4.29Å; F201-Y226 HydrophobicContact CD2-CD1 4.29Å; F201-Y226 AromaticContact CE2-CD1 3.47Å; F201-Y226 HydrophobicContact CE2-CD1 3.47Å; F201-Y226 VanDerWaalsContact CE2-CD1 3.47Å; F201-Y226 HydrophobicContact CE2-CE1 4.02Å; F201-Y226 AromaticContact CE2-CG 3.84Å; F201-Y226 HydrophobicContact CE2-CG 3.84Å; F201-Y226 HydrophobicContact CZ-CD1 4.31Å; F201-Y226 HydrophobicContact CZ-CG 4.24Å; L209-Y226 CarbonylContact O-C 3.56Å; L209-Y226 WeakPolarHBondContact O-CA 3.31Å; C210-Y226 HydrophobicContact CB-CD1 3.81Å; C210-Y226 HydrophobicContact CB-CE1 3.75Å; Y226-I273 WeakPolarHBondContact O-CG1 3.34Å; Y226-I273 PolarHBondContact O-N 3.23Å; Y226-A274 HydrophobicContact CD2-CB 3.89Å; Y226-A274 HydrophobicContact CG-CB 4.22Å; Y226-A274 PolarHBondContact N-O 2.97Å; Y226-A274 PolarHBondContact O-N 3.16Å; Y226-T276 HydrophobicContact CE2-CG2 3.78Å
227	H	97.7	Very high	93.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.9	-167.6	-80.2	-90.3	0	0	0	111.3	A208 L209 E225 D235 I237 S270 H271 E272	A208-H227 CarbonylContact C-O 3.57Å; L209-H227 HydrophobicContact CB-CB 4.47Å; L209-H227 PolarHBondContact N-O 3.44Å; L209-H227 PolarHBondContact O-N 3.12Å; E225-H227 WeakPolarHBondContact CB-NE2 3.43Å; E225-H227 IonicContact OE2-CD2 3.88Å; E225-H227 IonicContact OE2-CE1 2.84Å; E225-H227 PolarHBondContact OE2-CE1 2.82Å; E225-H227 IonicContact OE2-NE2 3.15Å; E225-H227 PolarHBondContact OE2-NE2 3.39Å; H227-D235 IonicContact CE1-OD2 3.66Å; H227-I237 HydrophobicContact CB-CD1 4.39Å; H227-I237 HydrophobicContact CB-CG1 4.48Å; H227-S270 PolarHBondContact ND1-OG 2.67Å; H227-H271 VanDerWaalsContact CA-O 3.3Å; H227-H271 WeakPolarHBondContact CA-O 3.44Å; H227-E272 PolarHBondContact ND1-N 2.75Å
228	L	96.4	Very high	93.8	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.1	164	-164.7	69.4	0	0	0	108.1	I206 S230 S270 H271 I273 A316 L317 V320 Y321	I206-L228 HydrophobicContact CB-CD1 4.37Å; L228-S230 PolarHBondContact O-N 2.78Å; L228-S270 WeakPolarHBondContact O-CA 3.45Å; L228-S270 WeakPolarHBondContact O-CB 3.46Å; L228-H271 PolarHBondContact N-O 3.4Å; L228-H271 PolarHBondContact O-N 2.93Å; L228-I273 HydrophobicContact CB-CG2 4.41Å; L228-A316 HydrophobicContact CD2-CB 4.16Å; L228-A316 WeakPolarHBondContact CD2-O 3.43Å; L228-L317 HydrophobicContact CD2-CD2 4.47Å; L228-V320 HydrophobicContact CD2-CB 3.66Å; L228-V320 HydrophobicContact CD2-CG1 4.1Å; L228-V320 HydrophobicContact CD2-CG2 3.51Å; L228-V320 HydrophobicContact CG-CB 4.24Å; L228-V320 HydrophobicContact CG-CG1 4.26Å; L228-V320 HydrophobicContact CG-CG2 3.82Å; L228-Y321 HydrophobicContact CD1-CE2 4.44Å; L228-Y321 HydrophobicContact CD2-CE2 4.19Å
229	L	94.3	Very high	93.9	Very high	75 Å²	75	28.9 Å²	28.9	39%	0.393	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.4	-176.8	-58.3	-175.8	0	0	0	110.1	L209 I268 V320	L209-L229 HydrophobicContact CB-CD2 4.45Å; L209-L229 HydrophobicContact CD2-CD2 3.87Å; L229-I268 HydrophobicContact CD2-CG2 4.03Å; L229-V320 WeakPolarHBondContact O-CG2 2.93Å
230	S	91.3	Very high	94.1	Very high	15 Å²	15	28.3 Å²	28.3	11%	0.105	17%	0.168	C	C	.	.			trans	-156.9	133.8	-179.2	-172	0	0	0	0	111.4	L228 S232 G233 R269 H271 D319	L228-S230 PolarHBondContact O-N 2.78Å; S230-S232 PolarHBondContact O-N 3.3Å; S230-S232 PolarHBondContact OG-N 3.44Å; S230-S232 PolarHBondContact OG-OG 3.26Å; S230-G233 PolarHBondContact O-N 3.29Å; S230-R269 CarbonylContact C-O 3.55Å; S230-R269 PolarHBondContact N-O 3.45Å; S230-R269 CarbonylContact O-C 3.29Å; S230-R269 WeakPolarHBondContact O-CB 3.32Å; S230-H271 VanDerWaalsContact CB-CD2 3.41Å; S230-H271 WeakPolarHBondContact CB-CD2 3.13Å; S230-H271 WeakPolarHBondContact CB-NE2 3.29Å; S230-D319 PolarHBondContact OG-OD2 2.92Å
231	S	88.4	Confident	94	Very high	101 Å²	101	31.6 Å²	31.6	71%	0.706	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.6	174.3	66.6	0	0	0	0	113.8	R269	S231-R269 WeakPolarHBondContact O-CD 3.33Å; S231-R269 PolarHBondContact O-NE 3.19Å; S231-R269 PolarHBondContact O-NH1 3.43Å
232	S	86.7	Confident	94	Very high	31 Å²	31	33.8 Å²	33.8	22%	0.217	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.8	175.2	23.9	0	0	0	0	113.7	S230 D319	S230-S232 PolarHBondContact O-N 3.3Å; S230-S232 PolarHBondContact OG-N 3.44Å; S230-S232 PolarHBondContact OG-OG 3.26Å; S232-D319 PolarHBondContact OG-OD1 3.34Å; S232-D319 PolarHBondContact OG-OD2 3.18Å
233	G	87.8	Confident	93.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.194	C	C	.	.			trans	-65.3	149.5	179	0	0	0	0	0	113.8	S230 R269 S270	S230-G233 PolarHBondContact O-N 3.29Å; G233-R269 PolarHBondContact O-NE 2.83Å; G233-R269 PolarHBondContact O-NH2 2.93Å; G233-S270 CarbonylContact C-O 3.57Å; G233-S270 VanDerWaalsContact C-O 3.29Å; G233-S270 WeakPolarHBondContact CA-O 3.41Å
234	E	87.5	Confident	93.6	Very high	49 Å²	49	39.1 Å²	39.1	23%	0.229	22%	0.222	C	C	.	.	S	Bend	trans	-84.5	-32.6	179.8	-58.1	-145.2	79.1	0	0	113.2	R162 F163 R167 H236 S270	R162-E234 IonicContact CZ-OE1 2.82Å; R162-E234 IonicContact CZ-OE2 3.64Å; R162-E234 VanDerWaalsContact NE-CD 3.34Å; R162-E234 IonicContact NE-OE1 2.92Å; R162-E234 PolarHBondContact NE-OE1 3.34Å; R162-E234 IonicContact NE-OE2 3.88Å; R162-E234 PolarHBondContact NE-OE2 3.44Å; R162-E234 IonicContact NH2-OE1 3.95Å; R162-E234 PolarHBondContact NH2-OE1 2.86Å; R162-E234 IonicContact NH2-OE2 3.47Å; F163-E234 HydrophobicContact CD2-CG 3.8Å; F163-E234 HydrophobicContact CE2-CG 3.44Å; F163-E234 VanDerWaalsContact CE2-CG 3.44Å; F163-E234 WeakPolarHBondContact CE2-OE1 3.43Å; R167-E234 WeakPolarHBondContact CD-OE2 3.43Å; R167-E234 IonicContact NH1-OE2 2.73Å; R167-E234 PolarHBondContact NH1-OE2 2.88Å; E234-H236 PolarHBondContact O-CE1 3.06Å; E234-H236 PolarHBondContact O-ND1 3.08Å; E234-H236 VanDerWaalsContact O-ND1 3.14Å; E234-S270 PolarHBondContact N-O 2.85Å; E234-S270 VanDerWaalsContact N-O 3.16Å
235	D	92.4	Very high	93.4	Very high	41 Å²	41	40 Å²	40	22%	0.219	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	155.9	-172.6	-58.9	-42.4	0	0	0	109.7	H227 R269 S270 E272	H227-D235 IonicContact CE1-OD2 3.66Å; D235-R269 CarbonylContact O-C 3.54Å; D235-R269 VanDerWaalsContact O-CA 3.28Å; D235-R269 WeakPolarHBondContact O-CA 3.43Å; D235-S270 PolarHBondContact N-O 2.77Å; D235-S270 VanDerWaalsContact N-O 3.09Å; D235-S270 PolarHBondContact O-N 2.9Å; D235-E272 VanDerWaalsContact OD2-CB 3.25Å; D235-E272 WeakPolarHBondContact OD2-CB 3.47Å; D235-E272 PolarHBondContact OD2-N 3.36Å
236	H	94.5	Very high	93.3	Very high	37 Å²	37	42.3 Å²	42.3	17%	0.171	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.5	-177.6	-62.3	89.8	0	0	0	109.4	E234 E249 R267 I268	E234-H236 PolarHBondContact O-CE1 3.06Å; E234-H236 PolarHBondContact O-ND1 3.08Å; E234-H236 VanDerWaalsContact O-ND1 3.14Å; H236-E249 HydrophobicContact CB-CB 3.98Å; H236-E249 WeakPolarHBondContact CB-OE2 3.28Å; H236-E249 IonicContact CG-OE2 3.48Å; H236-E249 IonicContact ND1-OE2 2.94Å; H236-E249 WeakPolarHBondContact O-CB 3.3Å; H236-E249 PolarHBondContact O-N 3.22Å; H236-R267 HydrophobicContact CB-CG 4.2Å; H236-R267 PolarHBondContact CD2-NH1 2.99Å; H236-R267 PolarHBondContact CD2-NH2 2.78Å; H236-R267 PolarHBondContact CE1-NH2 2.91Å; H236-R267 PolarHBondContact ND1-NH2 3.24Å; H236-R267 VanDerWaalsContact ND1-NH2 3.12Å; H236-R267 VanDerWaalsContact NE2-CZ 3.28Å; H236-R267 PolarHBondContact NE2-NH1 3.36Å; H236-R267 PolarHBondContact NE2-NH2 3.41Å; H236-R267 VanDerWaalsContact NE2-NH2 3.14Å; H236-I268 WeakPolarHBondContact CA-O 3.38Å
237	I	95.4	Very high	93.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.3	177	-52	-59.5	0	0	0	108.1	L209 V211 H227 V239 T248 R267 I268 S270	L209-I237 HydrophobicContact CD2-CG2 4.01Å; V211-I237 HydrophobicContact CG1-CD1 4.25Å; V211-I237 HydrophobicContact CG1-CG2 3.76Å; V211-I237 HydrophobicContact CG2-CD1 3.92Å; H227-I237 HydrophobicContact CB-CD1 4.39Å; H227-I237 HydrophobicContact CB-CG1 4.48Å; I237-V239 HydrophobicContact CG2-CG2 3.96Å; I237-T248 HydrophobicContact CD1-CG2 4.35Å; I237-R267 WeakPolarHBondContact O-CA 3.19Å; I237-I268 PolarHBondContact N-O 3.25Å; I237-I268 PolarHBondContact O-N 3.48Å; I237-S270 VanDerWaalsContact CG1-OG 3.27Å; I237-S270 WeakPolarHBondContact CG1-OG 3.34Å
238	L	95.9	Very high	93	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.3	171	-59.8	177.3	0	0	0	108.2	K246 V247 E249 N252 S255 M265 S266 R267	L238-K246 WeakPolarHBondContact O-CA 3.17Å; L238-V247 HydrophobicContact CB-CG2 4.05Å; L238-V247 PolarHBondContact N-O 3.45Å; L238-V247 PolarHBondContact O-N 3.43Å; L238-E249 HydrophobicContact CD1-CB 4.47Å; L238-E249 HydrophobicContact CG-CB 4.39Å; L238-N252 HydrophobicContact CD1-CB 3.66Å; L238-S255 WeakPolarHBondContact CD1-O 3.15Å; L238-M265 VanDerWaalsContact C-CE 3.47Å; L238-M265 HydrophobicContact CB-CB 3.97Å; L238-M265 HydrophobicContact CB-CE 3.77Å; L238-M265 HydrophobicContact CB-SD 3.91Å; L238-M265 VanDerWaalsContact O-CE 3.23Å; L238-M265 WeakPolarHBondContact O-CE 3.5Å; L238-S266 WeakPolarHBondContact CA-O 3.47Å; L238-R267 HydrophobicContact CD2-CB 4.02Å; L238-R267 HydrophobicContact CD2-CG 4.12Å
239	V	95	Very high	92.8	Very high	22 Å²	22	44.3 Å²	44.3	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.4	178.3	-178	0	0	0	0	109.3	I237 K246 M265 S266 I268	I237-V239 HydrophobicContact CG2-CG2 3.96Å; V239-K246 HydrophobicContact CG1-CG 4.15Å; V239-K246 HydrophobicContact CG2-CG 4.18Å; V239-M265 CarbonylContact O-C 3.52Å; V239-M265 WeakPolarHBondContact O-CA 3.47Å; V239-S266 PolarHBondContact N-O 3.31Å; V239-S266 PolarHBondContact O-N 2.82Å; V239-S266 PolarHBondContact O-OG 2.94Å; V239-I268 HydrophobicContact CG2-CD1 3.96Å
240	C	95.3	Very high	92.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.			trans	-87.2	121.2	174.1	-179.3	0	0	0	0	110.1	Q242 C243 N244 V245 C258 C261 M265	C240-Q242 VanDerWaalsContact C-N 3.29Å; C240-Q242 PolarHBondContact O-N 2.81Å; C240-Q242 PolarHBondContact SG-N 3.03Å; C240-C243 PolarHBondContact SG-SG 3.39Å; C240-N244 WeakPolarHBondContact O-CA 3.17Å; C240-N244 PolarHBondContact O-N 3.26Å; C240-V245 HydrophobicContact CB-CB 4.35Å; C240-V245 PolarHBondContact N-O 3.46Å; C240-C258 HydrophobicContact CB-CB 4.1Å; C240-C261 PolarHBondContact SG-SG 2.73Å; C240-M265 HydrophobicContact CB-CE 3.82Å; C240-M265 HydrophobicContact CB-CG 4.06Å
241	S	93.1	Very high	92.5	Very high	96 Å²	96	50.4 Å²	50.4	67%	0.671	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.2	178	54.3	0	0	0	0	113.7
242	Q	93.8	Very high	92.5	Very high	141 Å²	141	45.8 Å²	45.8	66%	0.659	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-46.7	-176	-71	-66.1	-41.1	0	0	113.4	C240 Q263	C240-Q242 VanDerWaalsContact C-N 3.29Å; C240-Q242 PolarHBondContact O-N 2.81Å; C240-Q242 PolarHBondContact SG-N 3.03Å; Q242-Q263 HydrophobicContact CB-CB 4.43Å; Q242-Q263 HydrophobicContact CG-CB 4.06Å; Q242-Q263 HydrophobicContact CG-CG 3.76Å
243	C	94.5	Very high	92.5	Very high	44 Å²	44	48.2 Å²	48.2	30%	0.297	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	6.1	-178	60.7	0	0	0	0	114.2	C240 V245 N260 C261	C240-C243 PolarHBondContact SG-SG 3.39Å; C243-V245 HydrophobicContact CB-CG2 4.47Å; C243-V245 PolarHBondContact O-N 3.08Å; C243-V245 VanDerWaalsContact SG-CG2 3.56Å; C243-N260 PolarHBondContact SG-ND2 3.36Å; C243-N260 VanDerWaalsContact SG-ND2 3.41Å; C243-C261 VanDerWaalsContact SG-SG 3.61Å
244	N	92.1	Very high	92.2	Very high	111 Å²	111	51.7 Å²	51.7	59%	0.594	29%	0.292	S	S	*	.			trans	57.9	18.5	177.9	-161.2	28.4	0	0	0	114.7	C240 K246	C240-N244 WeakPolarHBondContact O-CA 3.17Å; C240-N244 PolarHBondContact O-N 3.26Å; N244-K246 WeakPolarHBondContact OD1-CE 3.41Å
245	V	93.8	Very high	92.2	Very high	48 Å²	48	51.8 Å²	51.8	29%	0.291	30%	0.298	S	S	.	.			trans	-66.2	133.2	171.6	169.1	0	0	0	0	109.2	C240 C243 V247 N260 M265	C240-V245 HydrophobicContact CB-CB 4.35Å; C240-V245 PolarHBondContact N-O 3.46Å; C243-V245 HydrophobicContact CB-CG2 4.47Å; C243-V245 PolarHBondContact O-N 3.08Å; C243-V245 VanDerWaalsContact SG-CG2 3.56Å; V245-V247 HydrophobicContact CG1-CG1 3.88Å; V245-N260 HydrophobicContact CG2-CB 4.22Å; V245-M265 HydrophobicContact CG1-CE 4.4Å; V245-M265 WeakPolarHBondContact O-CE 3.46Å
246	K	95.7	Very high	92.1	Very high	64 Å²	64	52.4 Å²	52.4	28%	0.278	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.8	-179.4	-55.7	174	-175.9	170.8	0	109.4	L209 V211 Q212 L238 V239 N244	L209-K246 HydrophobicContact CD1-CD 3.49Å; L209-K246 VanDerWaalsContact CD1-CD 3.49Å; L209-K246 HydrophobicContact CD2-CD 4.23Å; L209-K246 HydrophobicContact CG-CD 4.15Å; V211-K246 HydrophobicContact CB-CB 4.27Å; V211-K246 HydrophobicContact CG1-CB 3.75Å; Q212-K246 PolarHBondContact N-O 2.88Å; Q212-K246 VanDerWaalsContact N-O 3.12Å; L238-K246 WeakPolarHBondContact O-CA 3.17Å; V239-K246 HydrophobicContact CG1-CG 4.15Å; V239-K246 HydrophobicContact CG2-CG 4.18Å; N244-K246 WeakPolarHBondContact OD1-CE 3.41Å
247	V	95.9	Very high	92	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.03	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.3	-176.8	-57.9	0	0	0	0	110.6	Q212 L238 V245 F251 N252 M265	Q212-V247 HydrophobicContact CB-CG1 4.27Å; Q212-V247 VanDerWaalsContact O-CA 3.31Å; Q212-V247 WeakPolarHBondContact O-CA 3.45Å; L238-V247 HydrophobicContact CB-CG2 4.05Å; L238-V247 PolarHBondContact N-O 3.45Å; L238-V247 PolarHBondContact O-N 3.43Å; V245-V247 HydrophobicContact CG1-CG1 3.88Å; V247-F251 HydrophobicContact CB-CB 4.41Å; V247-F251 HydrophobicContact CB-CD1 3.71Å; V247-F251 HydrophobicContact CB-CG 4.44Å; V247-F251 HydrophobicContact CG1-CD1 3.66Å; V247-F251 HydrophobicContact CG1-CE1 3.96Å; V247-F251 HydrophobicContact CG2-CD1 4.35Å; V247-N252 HydrophobicContact CG2-CB 3.96Å; V247-M265 HydrophobicContact CG2-CE 4.16Å
248	T	94.4	Very high	91.9	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	147.4	166.5	66.2	0	0	0	0	110.1	V211 Q212 A213 E225 I237 Q250 F251 N252	V211-T248 HydrophobicContact CG2-CG2 3.73Å; Q212-T248 PolarHBondContact O-N 2.79Å; A213-T248 HydrophobicContact CB-CG2 3.88Å; E225-T248 HydrophobicContact CB-CG2 4.44Å; E225-T248 HydrophobicContact CG-CG2 4.48Å; E225-T248 WeakPolarHBondContact OE2-CG2 3.12Å; I237-T248 HydrophobicContact CD1-CG2 4.35Å; T248-Q250 PolarHBondContact O-N 2.85Å; T248-F251 WeakPolarHBondContact O-CB 3.21Å; T248-F251 PolarHBondContact O-N 3.09Å; T248-F251 WeakPolarHBondContact OG1-CB 3.48Å; T248-F251 PolarHBondContact OG1-N 3.19Å; T248-N252 PolarHBondContact O-N 3.16Å
249	E	91.5	Very high	91.6	Very high	45 Å²	45	60.8 Å²	60.8	21%	0.21	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.9	175.5	179.3	168.4	-112.3	0	0	111.7	H236 L238 F251 N252 A253 A254 R267	H236-E249 HydrophobicContact CB-CB 3.98Å; H236-E249 WeakPolarHBondContact CB-OE2 3.28Å; H236-E249 IonicContact CG-OE2 3.48Å; H236-E249 IonicContact ND1-OE2 2.94Å; H236-E249 WeakPolarHBondContact O-CB 3.3Å; H236-E249 PolarHBondContact O-N 3.22Å; L238-E249 HydrophobicContact CD1-CB 4.47Å; L238-E249 HydrophobicContact CG-CB 4.39Å; E249-F251 PolarHBondContact O-N 2.72Å; E249-N252 CarbonylContact O-C 3.59Å; E249-N252 PolarHBondContact O-N 2.63Å; E249-A253 PolarHBondContact O-N 2.64Å; E249-A254 PolarHBondContact O-N 3.34Å; E249-R267 IonicContact OE1-CZ 3.58Å; E249-R267 IonicContact OE1-NE 3.87Å; E249-R267 PolarHBondContact OE1-NE 2.85Å; E249-R267 IonicContact OE1-NH2 3.77Å; E249-R267 PolarHBondContact OE1-NH2 3.07Å; E249-R267 IonicContact OE2-CZ 2.73Å; E249-R267 IonicContact OE2-NE 3.53Å; E249-R267 IonicContact OE2-NH2 3.58Å; E249-R267 PolarHBondContact OE2-NH2 2.76Å
250	Q	88.7	Confident	91.5	Very high	155 Å²	155	65.2 Å²	65.2	72%	0.724	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-42.3	175.7	-60.7	178	20.1	0	0	112	T248 N252 A253	T248-Q250 PolarHBondContact O-N 2.85Å; Q250-N252 VanDerWaalsContact C-N 3.29Å; Q250-N252 PolarHBondContact O-N 2.64Å; Q250-A253 PolarHBondContact O-N 3.23Å; Q250-A253 VanDerWaalsContact O-N 3.12Å
251	F	90.2	Very high	91.4	Very high	64 Å²	64	68.1 Å²	68.1	28%	0.281	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.3	176.9	-179.7	-95.9	0	0	0	112.5	Q212 A213 V247 T248 E249 A253 K259	Q212-F251 HydrophobicContact CG-CD2 4.46Å; Q212-F251 HydrophobicContact CG-CE1 4.19Å; Q212-F251 HydrophobicContact CG-CE2 4.05Å; Q212-F251 HydrophobicContact CG-CZ 3.91Å; A213-F251 VanDerWaalsContact C-CD2 3.45Å; A213-F251 WeakPolarHBondContact O-CD2 3.48Å; V247-F251 HydrophobicContact CB-CB 4.41Å; V247-F251 HydrophobicContact CB-CD1 3.71Å; V247-F251 HydrophobicContact CB-CG 4.44Å; V247-F251 HydrophobicContact CG1-CD1 3.66Å; V247-F251 HydrophobicContact CG1-CE1 3.96Å; V247-F251 HydrophobicContact CG2-CD1 4.35Å; T248-F251 WeakPolarHBondContact O-CB 3.21Å; T248-F251 PolarHBondContact O-N 3.09Å; T248-F251 WeakPolarHBondContact OG1-CB 3.48Å; T248-F251 PolarHBondContact OG1-N 3.19Å; E249-F251 PolarHBondContact O-N 2.72Å; F251-A253 PolarHBondContact O-N 2.72Å; F251-K259 PolarHBondContact O-NZ 2.97Å
252	N	88.6	Confident	91.4	Very high	4 Å²	4	66.1 Å²	66.1	2%	0.021	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	13.8	175.7	-145.6	34.9	0	0	0	114	L238 V247 T248 E249 Q250 A254 S255 V257 K259	L238-N252 HydrophobicContact CD1-CB 3.66Å; V247-N252 HydrophobicContact CG2-CB 3.96Å; T248-N252 PolarHBondContact O-N 3.16Å; E249-N252 CarbonylContact O-C 3.59Å; E249-N252 PolarHBondContact O-N 2.63Å; Q250-N252 VanDerWaalsContact C-N 3.29Å; Q250-N252 PolarHBondContact O-N 2.64Å; N252-A254 PolarHBondContact O-N 3.33Å; N252-S255 PolarHBondContact ND2-O 3Å; N252-S255 VanDerWaalsContact O-CB 3.32Å; N252-S255 WeakPolarHBondContact O-CB 3.14Å; N252-S255 PolarHBondContact O-N 3.44Å; N252-V257 PolarHBondContact ND2-O 3.18Å; N252-K259 VanDerWaalsContact OD1-CD 3.32Å; N252-K259 WeakPolarHBondContact OD1-CD 3.41Å; N252-K259 WeakPolarHBondContact OD1-CE 3.4Å; N252-K259 WeakPolarHBondContact OD1-CG 3.37Å
253	A	86.1	Confident	91.4	Very high	82 Å²	82	63.6 Å²	63.6	68%	0.678	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	38.6	-178.2	0	0	0	0	0	112.8	E249 Q250 F251 S255	E249-A253 PolarHBondContact O-N 2.64Å; Q250-A253 PolarHBondContact O-N 3.23Å; Q250-A253 VanDerWaalsContact O-N 3.12Å; F251-A253 PolarHBondContact O-N 2.72Å; A253-S255 PolarHBondContact O-N 2.94Å
254	A	81.2	Confident	91.4	Very high	73 Å²	73	67.7 Å²	67.7	60%	0.603	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	10.4	-175.3	0	0	0	0	0	115.6	E249 N252	E249-A254 PolarHBondContact O-N 3.34Å; N252-A254 PolarHBondContact O-N 3.33Å
255	S	88.7	Confident	91.6	Very high	51 Å²	51	62.8 Å²	62.8	36%	0.357	36%	0.358	S	S	.	.			trans	-75.1	138.9	168.2	179.3	0	0	0	0	109.9	L238 N252 A253 V257	L238-S255 WeakPolarHBondContact CD1-O 3.15Å; N252-S255 PolarHBondContact ND2-O 3Å; N252-S255 VanDerWaalsContact O-CB 3.32Å; N252-S255 WeakPolarHBondContact O-CB 3.14Å; N252-S255 PolarHBondContact O-N 3.44Å; A253-S255 PolarHBondContact O-N 2.94Å; S255-V257 VanDerWaalsContact C-N 3.31Å; S255-V257 PolarHBondContact OG-N 3.48Å; S255-V257 VanDerWaalsContact OG-N 3.15Å
256	T	89.4	Confident	91.6	Very high	53 Å²	53	63.6 Å²	63.6	33%	0.325	37%	0.365	S	S	.	.			trans	-88.9	3.4	171.2	54.1	0	0	0	0	112.5	M265	T256-M265 WeakPolarHBondContact O-CB 3.48Å; T256-M265 PolarHBondContact O-N 3.12Å
257	V	92.5	Very high	91.5	Very high	63 Å²	63	66.5 Å²	66.5	38%	0.382	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-96.6	133.6	-178.2	-178.7	0	0	0	0	111.2	N252 S255 K259 G262	N252-V257 PolarHBondContact ND2-O 3.18Å; S255-V257 VanDerWaalsContact C-N 3.31Å; S255-V257 PolarHBondContact OG-N 3.48Å; S255-V257 VanDerWaalsContact OG-N 3.15Å; V257-K259 PolarHBondContact O-N 2.73Å; V257-G262 VanDerWaalsContact CG1-O 3.31Å; V257-G262 WeakPolarHBondContact CG1-O 3.5Å
258	C	93.1	Very high	91.5	Very high	3 Å²	3	69.1 Å²	69.1	2%	0.02	39%	0.388	C	S	.	.			trans	-69.5	116.5	179	-176	0	0	0	0	111.5	C240 N260 C261 G262 Q263 M265	C240-C258 HydrophobicContact CB-CB 4.1Å; C258-N260 PolarHBondContact O-N 2.58Å; C258-N260 VanDerWaalsContact O-N 3.09Å; C258-C261 PolarHBondContact O-N 2.92Å; C258-C261 VanDerWaalsContact SG-SG 3.64Å; C258-G262 WeakPolarHBondContact O-CA 3.18Å; C258-G262 PolarHBondContact O-N 2.91Å; C258-Q263 VanDerWaalsContact CB-O 3.23Å; C258-Q263 WeakPolarHBondContact CB-O 3.38Å; C258-Q263 PolarHBondContact N-O 2.79Å; C258-M265 VanDerWaalsContact CA-SD 3.57Å; C258-M265 HydrophobicContact CB-CG 3.73Å; C258-M265 HydrophobicContact CB-SD 3.82Å
259	K	90.4	Very high	91.5	Very high	147 Å²	147	73.9 Å²	73.9	64%	0.639	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.7	176.2	-69.4	174.3	179.5	171.4	0	114.5	F251 N252 V257	F251-K259 PolarHBondContact O-NZ 2.97Å; N252-K259 VanDerWaalsContact OD1-CD 3.32Å; N252-K259 WeakPolarHBondContact OD1-CD 3.41Å; N252-K259 WeakPolarHBondContact OD1-CE 3.4Å; N252-K259 WeakPolarHBondContact OD1-CG 3.37Å; V257-K259 PolarHBondContact O-N 2.73Å
260	N	92	Very high	91.7	Very high	115 Å²	115	71.7 Å²	71.7	62%	0.615	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-34.8	-178.4	-174.5	57.6	0	0	0	113.7	C243 V245 C258	C243-N260 PolarHBondContact SG-ND2 3.36Å; C243-N260 VanDerWaalsContact SG-ND2 3.41Å; V245-N260 HydrophobicContact CG2-CB 4.22Å; C258-N260 PolarHBondContact O-N 2.58Å; C258-N260 VanDerWaalsContact O-N 3.09Å
261	C	94.7	Very high	92	Very high	62 Å²	62	65.4 Å²	65.4	42%	0.419	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136	-3.1	-172.1	66.8	0	0	0	0	115.1	C240 C243 C258 Q263	C240-C261 PolarHBondContact SG-SG 2.73Å; C243-C261 VanDerWaalsContact SG-SG 3.61Å; C258-C261 PolarHBondContact O-N 2.92Å; C258-C261 VanDerWaalsContact SG-SG 3.64Å; C261-Q263 PolarHBondContact O-N 3.38Å
262	G	92.6	Very high	92.3	Very high	53 Å²	53	64.3 Å²	64.3	55%	0.546	36%	0.361	S	S	.	.			trans	77.8	-2.7	180	0	0	0	0	0	115.6	V257 C258	V257-G262 VanDerWaalsContact CG1-O 3.31Å; V257-G262 WeakPolarHBondContact CG1-O 3.5Å; C258-G262 WeakPolarHBondContact O-CA 3.18Å; C258-G262 PolarHBondContact O-N 2.91Å
263	Q	93.3	Very high	92.7	Very high	88 Å²	88	64.2 Å²	64.2	41%	0.411	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-74.7	145.9	178.6	-173.9	60.7	32.5	0	0	112.4	Q242 C258 C261	Q242-Q263 HydrophobicContact CB-CB 4.43Å; Q242-Q263 HydrophobicContact CG-CB 4.06Å; Q242-Q263 HydrophobicContact CG-CG 3.76Å; C258-Q263 VanDerWaalsContact CB-O 3.23Å; C258-Q263 WeakPolarHBondContact CB-O 3.38Å; C258-Q263 PolarHBondContact N-O 2.79Å; C261-Q263 PolarHBondContact O-N 3.38Å
264	E	94.7	Very high	93.3	Very high	131 Å²	131	60.5 Å²	60.5	61%	0.612	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-63.5	133.4	168.7	-170	171	-162.4	0	0	111.8
265	M	95.6	Very high	94.1	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.039	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-98.5	139.5	-176.2	-58.6	-177.6	76.6	0	0	110.4	L238 V239 C240 V245 V247 T256 C258	L238-M265 VanDerWaalsContact C-CE 3.47Å; L238-M265 HydrophobicContact CB-CB 3.97Å; L238-M265 HydrophobicContact CB-CE 3.77Å; L238-M265 HydrophobicContact CB-SD 3.91Å; L238-M265 VanDerWaalsContact O-CE 3.23Å; L238-M265 WeakPolarHBondContact O-CE 3.5Å; V239-M265 CarbonylContact O-C 3.52Å; V239-M265 WeakPolarHBondContact O-CA 3.47Å; C240-M265 HydrophobicContact CB-CE 3.82Å; C240-M265 HydrophobicContact CB-CG 4.06Å; V245-M265 HydrophobicContact CG1-CE 4.4Å; V245-M265 WeakPolarHBondContact O-CE 3.46Å; V247-M265 HydrophobicContact CG2-CE 4.16Å; T256-M265 WeakPolarHBondContact O-CB 3.48Å; T256-M265 PolarHBondContact O-N 3.12Å; C258-M265 VanDerWaalsContact CA-SD 3.57Å; C258-M265 HydrophobicContact CB-CG 3.73Å; C258-M265 HydrophobicContact CB-SD 3.82Å
266	S	94.3	Very high	94.6	Very high	64 Å²	64	55.7 Å²	55.7	45%	0.448	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	136.2	173.1	61.3	0	0	0	0	110.5	L238 V239	L238-S266 WeakPolarHBondContact CA-O 3.47Å; V239-S266 PolarHBondContact N-O 3.31Å; V239-S266 PolarHBondContact O-N 2.82Å; V239-S266 PolarHBondContact O-OG 2.94Å
267	R	94.2	Very high	95	Very high	125 Å²	125	54.1 Å²	54.1	47%	0.472	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.3	179.4	-171.4	177.7	-171.9	-95.4	-1.1	110.5	H236 I237 L238 E249	H236-R267 HydrophobicContact CB-CG 4.2Å; H236-R267 PolarHBondContact CD2-NH1 2.99Å; H236-R267 PolarHBondContact CD2-NH2 2.78Å; H236-R267 PolarHBondContact CE1-NH2 2.91Å; H236-R267 PolarHBondContact ND1-NH2 3.24Å; H236-R267 VanDerWaalsContact ND1-NH2 3.12Å; H236-R267 VanDerWaalsContact NE2-CZ 3.28Å; H236-R267 PolarHBondContact NE2-NH1 3.36Å; H236-R267 PolarHBondContact NE2-NH2 3.41Å; H236-R267 VanDerWaalsContact NE2-NH2 3.14Å; I237-R267 WeakPolarHBondContact O-CA 3.19Å; L238-R267 HydrophobicContact CD2-CB 4.02Å; L238-R267 HydrophobicContact CD2-CG 4.12Å; E249-R267 IonicContact OE1-CZ 3.58Å; E249-R267 IonicContact OE1-NE 3.87Å; E249-R267 PolarHBondContact OE1-NE 2.85Å; E249-R267 IonicContact OE1-NH2 3.77Å; E249-R267 PolarHBondContact OE1-NH2 3.07Å; E249-R267 IonicContact OE2-CZ 2.73Å; E249-R267 IonicContact OE2-NE 3.53Å; E249-R267 IonicContact OE2-NH2 3.58Å; E249-R267 PolarHBondContact OE2-NH2 2.76Å
268	I	94.6	Very high	95.3	Very high	60 Å²	60	51.5 Å²	51.5	31%	0.308	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.3	-176.8	-52.9	173.3	0	0	0	108.8	L229 H236 I237 V239	L229-I268 HydrophobicContact CD2-CG2 4.03Å; H236-I268 WeakPolarHBondContact CA-O 3.38Å; I237-I268 PolarHBondContact N-O 3.25Å; I237-I268 PolarHBondContact O-N 3.48Å; V239-I268 HydrophobicContact CG2-CD1 3.96Å
269	R	95.1	Very high	95.5	Very high	105 Å²	105	51.5 Å²	51.5	40%	0.396	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	145.8	175.1	-69.2	-178.2	71.7	-176.1	3.2	111.5	S230 S231 G233 D235	S230-R269 CarbonylContact C-O 3.55Å; S230-R269 PolarHBondContact N-O 3.45Å; S230-R269 CarbonylContact O-C 3.29Å; S230-R269 WeakPolarHBondContact O-CB 3.32Å; S231-R269 WeakPolarHBondContact O-CD 3.33Å; S231-R269 PolarHBondContact O-NE 3.19Å; S231-R269 PolarHBondContact O-NH1 3.43Å; G233-R269 PolarHBondContact O-NE 2.83Å; G233-R269 PolarHBondContact O-NH2 2.93Å; D235-R269 CarbonylContact O-C 3.54Å; D235-R269 VanDerWaalsContact O-CA 3.28Å; D235-R269 WeakPolarHBondContact O-CA 3.43Å
270	S	95.3	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	166	-177.8	59.7	0	0	0	0	114	H227 L228 G233 E234 D235 I237	H227-S270 PolarHBondContact ND1-OG 2.67Å; L228-S270 WeakPolarHBondContact O-CA 3.45Å; L228-S270 WeakPolarHBondContact O-CB 3.46Å; G233-S270 CarbonylContact C-O 3.57Å; G233-S270 VanDerWaalsContact C-O 3.29Å; G233-S270 WeakPolarHBondContact CA-O 3.41Å; E234-S270 PolarHBondContact N-O 2.85Å; E234-S270 VanDerWaalsContact N-O 3.16Å; D235-S270 PolarHBondContact N-O 2.77Å; D235-S270 VanDerWaalsContact N-O 3.09Å; D235-S270 PolarHBondContact O-N 2.9Å; I237-S270 VanDerWaalsContact CG1-OG 3.27Å; I237-S270 WeakPolarHBondContact CG1-OG 3.34Å
271	H	94.8	Very high	96.2	Very high	22 Å²	22	41.6 Å²	41.6	10%	0.102	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.1	168.3	-62.4	-70.3	0	0	0	109.8	H227 L228 S230 I273 A316 D319	H227-H271 VanDerWaalsContact CA-O 3.3Å; H227-H271 WeakPolarHBondContact CA-O 3.44Å; L228-H271 PolarHBondContact N-O 3.4Å; L228-H271 PolarHBondContact O-N 2.93Å; S230-H271 VanDerWaalsContact CB-CD2 3.41Å; S230-H271 WeakPolarHBondContact CB-CD2 3.13Å; S230-H271 WeakPolarHBondContact CB-NE2 3.29Å; H271-I273 PolarHBondContact O-N 2.9Å; H271-A316 HydrophobicContact CB-CB 3.76Å; H271-D319 IonicContact CD2-OD2 2.73Å; H271-D319 IonicContact CE1-OD2 3.31Å; H271-D319 IonicContact NE2-OD2 3.29Å; H271-D319 PolarHBondContact NE2-OD2 2.87Å
272	E	96.8	Very high	96.3	Very high	41 Å²	41	43.9 Å²	43.9	19%	0.192	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	122.6	165.9	-173.1	-166.5	179.2	0	0	109.8	E225 H227 D235 H275 R312	E225-E272 HydrophobicContact CG-CG 4.33Å; H227-E272 PolarHBondContact ND1-N 2.75Å; D235-E272 VanDerWaalsContact OD2-CB 3.25Å; D235-E272 WeakPolarHBondContact OD2-CB 3.47Å; D235-E272 PolarHBondContact OD2-N 3.36Å; E272-H275 WeakPolarHBondContact OE1-CB 3.49Å; E272-H275 IonicContact OE1-CG 3.82Å; E272-H275 IonicContact OE1-ND1 3.65Å; E272-H275 PolarHBondContact OE1-ND1 3.01Å; E272-R312 WeakPolarHBondContact O-CD 3.48Å
273	I	97.5	Very high	96.6	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-22.5	179.9	55.1	167.5	0	0	0	113.1	F201 I206 A208 Y226 L228 H271 G309 L313 A316	F201-I273 HydrophobicContact CD1-CD1 4.27Å; F201-I273 HydrophobicContact CE1-CD1 3.69Å; F201-I273 HydrophobicContact CZ-CD1 3.93Å; F201-I273 HydrophobicContact CZ-CG1 4.45Å; I206-I273 HydrophobicContact CD1-CD1 3.99Å; A208-I273 HydrophobicContact CB-CD1 3.92Å; Y226-I273 WeakPolarHBondContact O-CG1 3.34Å; Y226-I273 PolarHBondContact O-N 3.23Å; L228-I273 HydrophobicContact CB-CG2 4.41Å; H271-I273 PolarHBondContact O-N 2.9Å; I273-G309 PolarHBondContact O-N 3.34Å; I273-G309 VanDerWaalsContact O-N 3.13Å; I273-L313 HydrophobicContact CB-CB 4.44Å; I273-L313 HydrophobicContact CB-CD1 4.04Å; I273-L313 HydrophobicContact CD1-CD1 3.83Å; I273-L313 HydrophobicContact CG2-CB 4.5Å; I273-L313 HydrophobicContact CG2-CD1 3.96Å; I273-A316 HydrophobicContact CG2-CB 3.76Å
274	A	98.4	Very high	96.8	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.033	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	155.3	179.1	0	0	0	0	0	111.7	Y197 F201 Y226 G307 I308	Y197-A274 HydrophobicContact CD2-CB 3.98Å; Y197-A274 HydrophobicContact CE2-CB 3.77Å; F201-A274 HydrophobicContact CZ-CB 4.08Å; Y226-A274 HydrophobicContact CD2-CB 3.89Å; Y226-A274 HydrophobicContact CG-CB 4.22Å; Y226-A274 PolarHBondContact N-O 2.97Å; Y226-A274 PolarHBondContact O-N 3.16Å; A274-G307 CarbonylContact C-O 3.54Å; A274-G307 VanDerWaalsContact CA-O 3.25Å; A274-G307 WeakPolarHBondContact CA-O 3.5Å; A274-G307 VanDerWaalsContact CB-O 3.28Å; A274-G307 WeakPolarHBondContact CB-O 3.42Å; A274-I308 HydrophobicContact CB-CB 4.37Å; A274-I308 HydrophobicContact CB-CG1 3.77Å
275	H	98.2	Very high	97	Very high	23 Å²	23	33.8 Å²	33.8	11%	0.106	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	139.2	-179.8	-152.8	137.3	0	0	0	110	H224 E225 E272 F277 G307	H224-H275 PolarHBondContact O-CD2 3.49Å; E225-H275 WeakPolarHBondContact CG-CE1 3.29Å; E225-H275 VanDerWaalsContact CG-ND1 3.28Å; E225-H275 WeakPolarHBondContact CG-ND1 3.31Å; E225-H275 IonicContact OE1-CE1 3.48Å; E225-H275 PolarHBondContact OE1-CE1 3.16Å; E225-H275 IonicContact OE1-ND1 3.15Å; E272-H275 WeakPolarHBondContact OE1-CB 3.49Å; E272-H275 IonicContact OE1-CG 3.82Å; E272-H275 IonicContact OE1-ND1 3.65Å; E272-H275 PolarHBondContact OE1-ND1 3.01Å; H275-F277 HydrophobicContact CB-CE2 3.84Å; H275-F277 HydrophobicContact CB-CZ 4.35Å; H275-F277 AromaticContact CD2-CD2 3.71Å; H275-F277 AromaticContact CD2-CE1 3.67Å; H275-F277 AromaticContact CD2-CE2 3.19Å; H275-F277 WeakPolarHBondContact CD2-CE2 3.14Å; H275-F277 AromaticContact CD2-CZ 3.17Å; H275-F277 WeakPolarHBondContact CD2-CZ 3.33Å; H275-F277 AromaticContact CE1-CE1 3.77Å; H275-F277 AromaticContact CE1-CZ 3.34Å; H275-F277 WeakPolarHBondContact CE1-CZ 3.19Å; H275-F277 AromaticContact CG-CE2 3.38Å; H275-F277 AromaticContact CG-CZ 3.45Å; H275-F277 VanDerWaalsContact CG-CZ 3.45Å; H275-F277 AromaticContact ND1-CE2 3.93Å; H275-F277 AromaticContact ND1-CZ 3.54Å; H275-F277 AromaticContact NE2-CD1 3.97Å; H275-F277 AromaticContact NE2-CE1 3.27Å; H275-F277 VanDerWaalsContact NE2-CE1 3.27Å; H275-F277 WeakPolarHBondContact NE2-CE1 3.22Å; H275-F277 AromaticContact NE2-CE2 3.71Å; H275-F277 AromaticContact NE2-CZ 3.12Å; H275-F277 WeakPolarHBondContact NE2-CZ 3.41Å; H275-G307 PolarHBondContact N-O 2.99Å; H275-G307 PolarHBondContact O-N 3.48Å
276	T	98.6	Very high	97	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.3	177.7	56.7	0	0	0	0	110.9	Y190 Y197 S223 H224 Y226 C305 Y306	Y190-T276 PolarHBondContact OH-O 2.71Å; Y190-T276 VanDerWaalsContact OH-O 3.08Å; Y190-T276 PolarHBondContact OH-OG1 2.82Å; Y190-T276 VanDerWaalsContact OH-OG1 3.08Å; Y197-T276 HydrophobicContact CD2-CG2 4.06Å; Y197-T276 HydrophobicContact CE2-CG2 3.6Å; S223-T276 CarbonylContact C-O 3.54Å; S223-T276 WeakPolarHBondContact CA-O 2.94Å; S223-T276 WeakPolarHBondContact CB-O 3.48Å; H224-T276 PolarHBondContact N-O 3.02Å; H224-T276 PolarHBondContact O-N 3.03Å; H224-T276 PolarHBondContact O-OG1 2.83Å; H224-T276 VanDerWaalsContact O-OG1 3.12Å; Y226-T276 HydrophobicContact CE2-CG2 3.78Å; T276-C305 WeakPolarHBondContact CA-O 3.23Å; T276-Y306 HydrophobicContact CG2-CD1 3.65Å; T276-Y306 HydrophobicContact CG2-CG 4.35Å
277	F	98.5	Very high	97.2	Very high	20 Å²	20	33.1 Å²	33.1	9%	0.088	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.1	-178.8	-56.9	-99.3	0	0	0	111.2	I218 L222 H275 L279 G304 C305	I218-F277 HydrophobicContact CB-CD1 4.13Å; I218-F277 HydrophobicContact CB-CE1 3.83Å; I218-F277 HydrophobicContact CB-CZ 4.08Å; I218-F277 HydrophobicContact CG1-CE1 4.18Å; I218-F277 HydrophobicContact CG1-CE2 4.4Å; I218-F277 HydrophobicContact CG1-CZ 3.93Å; I218-F277 HydrophobicContact CG2-CB 4.48Å; I218-F277 HydrophobicContact CG2-CD1 3.84Å; I218-F277 HydrophobicContact CG2-CD2 4.14Å; I218-F277 HydrophobicContact CG2-CE1 4Å; I218-F277 HydrophobicContact CG2-CE2 4.28Å; I218-F277 HydrophobicContact CG2-CG 3.91Å; I218-F277 HydrophobicContact CG2-CZ 4.21Å; L222-F277 WeakPolarHBondContact O-CA 3.48Å; H275-F277 HydrophobicContact CB-CE2 3.84Å; H275-F277 HydrophobicContact CB-CZ 4.35Å; H275-F277 AromaticContact CD2-CD2 3.71Å; H275-F277 AromaticContact CD2-CE1 3.67Å; H275-F277 AromaticContact CD2-CE2 3.19Å; H275-F277 WeakPolarHBondContact CD2-CE2 3.14Å; H275-F277 AromaticContact CD2-CZ 3.17Å; H275-F277 WeakPolarHBondContact CD2-CZ 3.33Å; H275-F277 AromaticContact CE1-CE1 3.77Å; H275-F277 AromaticContact CE1-CZ 3.34Å; H275-F277 WeakPolarHBondContact CE1-CZ 3.19Å; H275-F277 AromaticContact CG-CE2 3.38Å; H275-F277 AromaticContact CG-CZ 3.45Å; H275-F277 VanDerWaalsContact CG-CZ 3.45Å; H275-F277 AromaticContact ND1-CE2 3.93Å; H275-F277 AromaticContact ND1-CZ 3.54Å; H275-F277 AromaticContact NE2-CD1 3.97Å; H275-F277 AromaticContact NE2-CE1 3.27Å; H275-F277 VanDerWaalsContact NE2-CE1 3.27Å; H275-F277 WeakPolarHBondContact NE2-CE1 3.22Å; H275-F277 AromaticContact NE2-CE2 3.71Å; H275-F277 AromaticContact NE2-CZ 3.12Å; H275-F277 WeakPolarHBondContact NE2-CZ 3.41Å; F277-L279 HydrophobicContact CB-CD2 3.54Å; F277-L279 HydrophobicContact CB-CG 4.22Å; F277-L279 HydrophobicContact CG-CD2 4.34Å; F277-G304 CarbonylContact O-C 3.48Å; F277-G304 WeakPolarHBondContact O-CA 3.49Å; F277-C305 VanDerWaalsContact CD2-SG 3.51Å; F277-C305 PolarHBondContact N-O 2.91Å; F277-C305 PolarHBondContact O-N 3.31Å
278	L	98.4	Very high	97.4	Very high	8 Å²	8	34 Å²	34	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	106.6	163.1	-173.1	63.3	0	0	0	107.8	A186 L187 Y190 G220 T221 L222	A186-L278 HydrophobicContact CB-CD1 3.75Å; L187-L278 HydrophobicContact CD1-CD2 4.21Å; Y190-L278 HydrophobicContact CD2-CB 4.09Å; Y190-L278 HydrophobicContact CE2-CB 4.27Å; G220-L278 CarbonylContact C-O 3.47Å; G220-L278 WeakPolarHBondContact CA-O 3.26Å; T221-L278 PolarHBondContact N-O 2.99Å; L222-L278 HydrophobicContact CB-CB 4.01Å; L222-L278 HydrophobicContact CB-CD2 4.42Å; L222-L278 PolarHBondContact O-N 2.85Å
279	L	98.3	Very high	97.5	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-17	-168.2	-56.9	176.9	0	0	0	113	E127 I218 G219 F277 T281 R282 Y283 M303 C305	E127-L279 HydrophobicContact CG-CD1 4.13Å; I218-L279 HydrophobicContact CG2-CD2 3.71Å; G219-L279 WeakPolarHBondContact O-CD2 3.28Å; F277-L279 HydrophobicContact CB-CD2 3.54Å; F277-L279 HydrophobicContact CB-CG 4.22Å; F277-L279 HydrophobicContact CG-CD2 4.34Å; L279-T281 PolarHBondContact O-N 2.99Å; L279-R282 WeakPolarHBondContact O-CB 3.28Å; L279-R282 PolarHBondContact O-N 3.34Å; L279-Y283 HydrophobicContact CB-CD2 4.38Å; L279-Y283 HydrophobicContact CD1-CD2 3.84Å; L279-Y283 HydrophobicContact CD1-CE2 3.84Å; L279-Y283 HydrophobicContact CD2-CE2 4.08Å; L279-Y283 HydrophobicContact CG-CE2 4.38Å; L279-M303 WeakPolarHBondContact CA-O 3.47Å; L279-M303 HydrophobicContact CB-CB 3.98Å; L279-M303 WeakPolarHBondContact CB-O 3.38Å; L279-M303 HydrophobicContact CD1-CB 4.19Å; L279-M303 HydrophobicContact CD1-CE 4.28Å; L279-M303 PolarHBondContact N-O 2.94Å; L279-C305 HydrophobicContact CD1-CB 3.88Å
280	G	98.2	Very high	97.7	Very high	11 Å²	11	29.2 Å²	29.2	11%	0.113	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58	-130.6	-170.5	0	0	0	0	0	110.1	M303	G280-M303 PolarHBondContact N-O 2.92Å; G280-M303 PolarHBondContact O-N 3.27Å
281	T	98	Very high	97.8	Very high	42 Å²	42	29.5 Å²	29.5	26%	0.258	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	20.5	178.7	66.1	0	0	0	0	113.3	L279 Y283 S284 S285 P300 Y302	L279-T281 PolarHBondContact O-N 2.99Å; T281-Y283 PolarHBondContact O-N 3Å; T281-S284 VanDerWaalsContact CA-OG 3.26Å; T281-S284 WeakPolarHBondContact CA-OG 3.46Å; T281-S284 WeakPolarHBondContact CB-OG 3.37Å; T281-S284 PolarHBondContact O-N 3.22Å; T281-S285 VanDerWaalsContact CB-OG 3.32Å; T281-S285 WeakPolarHBondContact CB-OG 3.49Å; T281-S285 WeakPolarHBondContact O-CB 3.33Å; T281-S285 PolarHBondContact O-N 2.63Å; T281-S285 VanDerWaalsContact O-N 3.07Å; T281-S285 PolarHBondContact O-OG 3.49Å; T281-S285 PolarHBondContact OG1-OG 2.82Å; T281-P300 HydrophobicContact CG2-CB 4Å; T281-P300 HydrophobicContact CG2-CG 3.91Å; T281-Y302 HydrophobicContact CG2-CD1 4.24Å; T281-Y302 HydrophobicContact CG2-CD2 4.15Å; T281-Y302 HydrophobicContact CG2-CE1 4.13Å; T281-Y302 HydrophobicContact CG2-CE2 4.03Å; T281-Y302 HydrophobicContact CG2-CG 4.26Å
282	R	97.5	Very high	97.9	Very high	110 Å²	110	33.2 Å²	33.2	42%	0.415	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-39.9	-174.6	173.1	59.2	-175.6	170.1	5.5	113.2	S95 L279 P286	S95-R282 PolarHBondContact O-NH2 3.31Å; L279-R282 WeakPolarHBondContact O-CB 3.28Å; L279-R282 PolarHBondContact O-N 3.34Å; R282-P286 WeakPolarHBondContact O-CD 3.39Å; R282-P286 VanDerWaalsContact O-CG 3.26Å; R282-P286 WeakPolarHBondContact O-CG 3.31Å
283	Y	98.1	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-39.8	179.9	-63.2	-91	0	0	0	112	R97 E127 E128 I218 L279 T281 S285 P286 L287	R97-Y283 PolarHBondContact NH1-OH 3.24Å; E127-Y283 HydrophobicContact CB-CD1 3.67Å; E127-Y283 HydrophobicContact CB-CD2 4.13Å; E127-Y283 HydrophobicContact CB-CE1 3.47Å; E127-Y283 VanDerWaalsContact CB-CE1 3.47Å; E127-Y283 HydrophobicContact CB-CE2 3.99Å; E127-Y283 HydrophobicContact CB-CG 3.99Å; E127-Y283 HydrophobicContact CG-CD2 4.43Å; E127-Y283 HydrophobicContact CG-CE1 4.22Å; E127-Y283 HydrophobicContact CG-CE2 3.99Å; E128-Y283 HydrophobicContact CG-CD1 4.36Å; E128-Y283 HydrophobicContact CG-CE1 4.42Å; E128-Y283 WeakPolarHBondContact OE1-CE1 3.36Å; I218-Y283 WeakPolarHBondContact O-CE2 3.08Å; I218-Y283 PolarHBondContact O-OH 3.24Å; L279-Y283 HydrophobicContact CB-CD2 4.38Å; L279-Y283 HydrophobicContact CD1-CD2 3.84Å; L279-Y283 HydrophobicContact CD1-CE2 3.84Å; L279-Y283 HydrophobicContact CD2-CE2 4.08Å; L279-Y283 HydrophobicContact CG-CE2 4.38Å; T281-Y283 PolarHBondContact O-N 3Å; Y283-S285 PolarHBondContact O-N 3.41Å; Y283-P286 VanDerWaalsContact O-CD 3.27Å; Y283-P286 WeakPolarHBondContact O-CD 3.36Å; Y283-P286 WeakPolarHBondContact O-CG 3.33Å; Y283-L287 WeakPolarHBondContact O-CB 3.5Å; Y283-L287 PolarHBondContact O-N 3.37Å; Y283-L287 VanDerWaalsContact O-N 3.16Å
284	S	98.2	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-37	-174.6	57.1	0	0	0	0	113.7	T281 Q288 A289 V301	T281-S284 VanDerWaalsContact CA-OG 3.26Å; T281-S284 WeakPolarHBondContact CA-OG 3.46Å; T281-S284 WeakPolarHBondContact CB-OG 3.37Å; T281-S284 PolarHBondContact O-N 3.22Å; S284-Q288 CarbonylContact O-C 3.1Å; S284-Q288 WeakPolarHBondContact O-CA 3.34Å; S284-Q288 PolarHBondContact O-N 3.31Å; S284-A289 PolarHBondContact O-N 2.85Å; S284-V301 WeakPolarHBondContact CB-O 3.22Å; S284-V301 PolarHBondContact OG-O 3.36Å
285	S	97.7	Very high	97.6	Very high	60 Å²	60	43.2 Å²	43.2	42%	0.42	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-56.4	175.9	-69.3	0	0	0	0	112.8	T281 Y283 L287 Q288	T281-S285 VanDerWaalsContact CB-OG 3.32Å; T281-S285 WeakPolarHBondContact CB-OG 3.49Å; T281-S285 WeakPolarHBondContact O-CB 3.33Å; T281-S285 PolarHBondContact O-N 2.63Å; T281-S285 VanDerWaalsContact O-N 3.07Å; T281-S285 PolarHBondContact O-OG 3.49Å; T281-S285 PolarHBondContact OG1-OG 2.82Å; Y283-S285 PolarHBondContact O-N 3.41Å; S285-L287 VanDerWaalsContact C-N 3.34Å; S285-L287 PolarHBondContact O-N 2.9Å; S285-Q288 PolarHBondContact O-N 3.17Å
286	P	97.4	Very high	97.4	Very high	50 Å²	50	43.4 Å²	43.4	33%	0.325	24%	0.235	S	C	.	.	H	α-helix	trans	-67.9	-29.6	-178.7	22.8	-32.6	0	0	0	114.3	K94 R282 Y283	K94-P286 WeakPolarHBondContact O-CB 3.29Å; R282-P286 WeakPolarHBondContact O-CD 3.39Å; R282-P286 VanDerWaalsContact O-CG 3.26Å; R282-P286 WeakPolarHBondContact O-CG 3.31Å; Y283-P286 VanDerWaalsContact O-CD 3.27Å; Y283-P286 WeakPolarHBondContact O-CD 3.36Å; Y283-P286 WeakPolarHBondContact O-CG 3.33Å
287	L	97.7	Very high	97.3	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-90.9	0.1	177.8	-72.9	165	0	0	0	113.5	K94 E128 T131 N132 S135 Y283 S285 A289	K94-L287 HydrophobicContact CB-CD2 3.57Å; K94-L287 HydrophobicContact CB-CG 4.1Å; K94-L287 HydrophobicContact CG-CD2 4.05Å; E128-L287 HydrophobicContact CB-CD1 4.46Å; T131-L287 HydrophobicContact CG2-CB 3.7Å; T131-L287 HydrophobicContact CG2-CD1 3.71Å; T131-L287 HydrophobicContact CG2-CG 4.34Å; N132-L287 HydrophobicContact CB-CD2 4.31Å; S135-L287 WeakPolarHBondContact CB-O 3.49Å; Y283-L287 WeakPolarHBondContact O-CB 3.5Å; Y283-L287 PolarHBondContact O-N 3.37Å; Y283-L287 VanDerWaalsContact O-N 3.16Å; S285-L287 VanDerWaalsContact C-N 3.34Å; S285-L287 PolarHBondContact O-N 2.9Å; L287-A289 VanDerWaalsContact C-N 3.25Å; L287-A289 PolarHBondContact O-N 2.74Å
288	Q	97.3	Very high	97.2	Very high	142 Å²	142	56.3 Å²	56.3	66%	0.664	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	35.8	-179.4	-55.6	-177.6	-35.4	0	0	113.5	S284 S285 Q290	S284-Q288 CarbonylContact O-C 3.1Å; S284-Q288 WeakPolarHBondContact O-CA 3.34Å; S284-Q288 PolarHBondContact O-N 3.31Å; S285-Q288 PolarHBondContact O-N 3.17Å; Q288-Q290 PolarHBondContact O-N 3.12Å
289	A	98	Very high	97.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.309	C	S	.	.			trans	-77.3	107.7	170.7	0	0	0	0	0	109.6	T131 L134 S284 L287 P300 V301	T131-A289 HydrophobicContact CG2-CB 3.49Å; T131-A289 VanDerWaalsContact CG2-CB 3.49Å; L134-A289 HydrophobicContact CB-CB 4.21Å; S284-A289 PolarHBondContact O-N 2.85Å; L287-A289 VanDerWaalsContact C-N 3.25Å; L287-A289 PolarHBondContact O-N 2.74Å; A289-P300 WeakPolarHBondContact O-CA 3.22Å; A289-V301 HydrophobicContact CB-CG2 4.11Å; A289-V301 PolarHBondContact O-N 2.92Å; A289-V301 VanDerWaalsContact O-N 3.15Å
290	Q	98.3	Very high	97.1	Very high	66 Å²	66	63.5 Å²	63.5	31%	0.308	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157	-170.7	-62.9	-178.8	-46.8	0	0	111.8	Q288 R298 R299	Q288-Q290 PolarHBondContact O-N 3.12Å; Q290-R298 HydrophobicContact CB-CB 4.42Å; Q290-R299 CarbonylContact C-O 3.5Å; Q290-R299 WeakPolarHBondContact CA-O 3.25Å; Q290-R299 VanDerWaalsContact CB-O 3.3Å; Q290-R299 WeakPolarHBondContact CB-O 3.19Å
291	F	98.1	Very high	97.2	Very high	5 Å²	5	63 Å²	63	2%	0.022	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	158.2	168.1	75.6	-77.6	0	0	0	110.2	L139 V141 M144 K181 D293 R298 R299 V301	L139-F291 HydrophobicContact CB-CB 3.84Å; L139-F291 CarbonylContact O-C 3.5Å; L139-F291 WeakPolarHBondContact O-CA 2.96Å; V141-F291 HydrophobicContact CB-CD2 3.9Å; V141-F291 HydrophobicContact CB-CE2 3.83Å; V141-F291 HydrophobicContact CG2-CD2 4.38Å; V141-F291 HydrophobicContact CG2-CE2 3.89Å; M144-F291 HydrophobicContact CE-CB 3.86Å; M144-F291 HydrophobicContact CE-CG 4.32Å; K181-F291 HydrophobicContact CB-CE1 4.34Å; K181-F291 HydrophobicContact CB-CE2 3.97Å; K181-F291 HydrophobicContact CB-CZ 3.64Å; K181-F291 WeakPolarHBondContact O-CZ 3.4Å; F291-D293 HydrophobicContact CE2-CB 4Å; F291-R298 WeakPolarHBondContact O-CA 3.48Å; F291-R299 HydrophobicContact CD1-CB 4.44Å; F291-R299 WeakPolarHBondContact CD1-O 3.38Å; F291-R299 HydrophobicContact CE1-CB 3.86Å; F291-R299 HydrophobicContact CZ-CB 4.19Å; F291-R299 PolarHBondContact N-O 2.93Å; F291-R299 PolarHBondContact O-N 3.5Å; F291-V301 HydrophobicContact CB-CG1 4.14Å; F291-V301 HydrophobicContact CD1-CG1 3.68Å; F291-V301 HydrophobicContact CG-CG1 4.31Å
292	Q	97.8	Very high	97.2	Very high	100 Å²	100	64.3 Å²	64.3	47%	0.467	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.7	170.9	-166.8	172.1	16.9	0	0	109.8	L139 V141 G296 Q297	L139-Q292 PolarHBondContact O-N 2.82Å; V141-Q292 PolarHBondContact N-O 2.91Å; Q292-G296 WeakPolarHBondContact CG-O 3.44Å; Q292-G296 VanDerWaalsContact NE2-CA 3.28Å; Q292-G296 PolarHBondContact NE2-O 3.42Å; Q292-Q297 WeakPolarHBondContact CA-O 3.46Å
293	D	95.8	Very high	97.2	Very high	17 Å²	17	59.1 Å²	59.1	9%	0.091	30%	0.296	C	S	.	.			trans	-75.1	-175.1	176	73.5	8.6	0	0	0	112.5	F291 D295 G296 Q297 R299	F291-D293 HydrophobicContact CE2-CB 4Å; D293-D295 PolarHBondContact O-N 2.99Å; D293-D295 WeakPolarHBondContact OD1-CA 3.4Å; D293-D295 PolarHBondContact OD1-N 2.91Å; D293-G296 PolarHBondContact O-N 3.48Å; D293-G296 PolarHBondContact OD1-N 3.48Å; D293-Q297 PolarHBondContact N-O 3.02Å; D293-Q297 PolarHBondContact OD1-N 3.28Å; D293-R299 IonicContact OD2-CZ 3.3Å; D293-R299 VanDerWaalsContact OD2-CZ 3.3Å; D293-R299 IonicContact OD2-NE 2.68Å; D293-R299 PolarHBondContact OD2-NE 3.39Å; D293-R299 IonicContact OD2-NH2 3.02Å; D293-R299 PolarHBondContact OD2-NH2 3.44Å
294	T	94.4	Very high	97.3	Very high	118 Å²	118	59.1 Å²	59.1	72%	0.724	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.1	179.2	47.6	0	0	0	0	113.6	V141 G296	V141-T294 HydrophobicContact CG1-CG2 4.06Å; T294-G296 VanDerWaalsContact C-N 3.31Å
295	D	95	Very high	97.3	Very high	123 Å²	123	59.3 Å²	59.3	66%	0.658	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	2.5	-178.5	-53.5	-30.8	0	0	0	111.5	D293 Q297	D293-D295 PolarHBondContact O-N 2.99Å; D293-D295 WeakPolarHBondContact OD1-CA 3.4Å; D293-D295 PolarHBondContact OD1-N 2.91Å; D295-Q297 VanDerWaalsContact C-N 3.3Å; D295-Q297 HydrophobicContact CB-CG 4.4Å
296	G	93.5	Very high	97.3	Very high	28 Å²	28	56.5 Å²	56.5	29%	0.289	28%	0.277	S	S	.	.	S	Bend	trans	83.3	3.5	-178.7	0	0	0	0	0	114.2	Q292 D293 T294	Q292-G296 WeakPolarHBondContact CG-O 3.44Å; Q292-G296 VanDerWaalsContact NE2-CA 3.28Å; Q292-G296 PolarHBondContact NE2-O 3.42Å; D293-G296 PolarHBondContact O-N 3.48Å; D293-G296 PolarHBondContact OD1-N 3.48Å; T294-G296 VanDerWaalsContact C-N 3.31Å
297	Q	96.3	Very high	97.4	Very high	121 Å²	121	54.6 Å²	54.6	57%	0.565	27%	0.267	S	S	*	.			trans	-84.4	144.3	-177.5	-60.8	-70.5	56.7	0	0	111.7	Q292 D293 D295	Q292-Q297 WeakPolarHBondContact CA-O 3.46Å; D293-Q297 PolarHBondContact N-O 3.02Å; D293-Q297 PolarHBondContact OD1-N 3.28Å; D295-Q297 VanDerWaalsContact C-N 3.3Å; D295-Q297 HydrophobicContact CB-CG 4.4Å
298	R	97.3	Very high	97.4	Very high	170 Å²	170	54.1 Å²	54.1	64%	0.642	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.8	177	-68.6	-169.5	176	-159	1	110.9	Q290 F291	Q290-R298 HydrophobicContact CB-CB 4.42Å; F291-R298 WeakPolarHBondContact O-CA 3.48Å
299	R	97.5	Very high	97.5	Very high	124 Å²	124	47.5 Å²	47.5	47%	0.468	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.8	177.9	-61.3	-171.7	-170.2	-119.2	1.8	110.9	Q290 F291 D293	Q290-R299 CarbonylContact C-O 3.5Å; Q290-R299 WeakPolarHBondContact CA-O 3.25Å; Q290-R299 VanDerWaalsContact CB-O 3.3Å; Q290-R299 WeakPolarHBondContact CB-O 3.19Å; F291-R299 HydrophobicContact CD1-CB 4.44Å; F291-R299 WeakPolarHBondContact CD1-O 3.38Å; F291-R299 HydrophobicContact CE1-CB 3.86Å; F291-R299 HydrophobicContact CZ-CB 4.19Å; F291-R299 PolarHBondContact N-O 2.93Å; F291-R299 PolarHBondContact O-N 3.5Å; D293-R299 IonicContact OD2-CZ 3.3Å; D293-R299 VanDerWaalsContact OD2-CZ 3.3Å; D293-R299 IonicContact OD2-NE 2.68Å; D293-R299 PolarHBondContact OD2-NE 3.39Å; D293-R299 IonicContact OD2-NH2 3.02Å; D293-R299 PolarHBondContact OD2-NH2 3.44Å
300	P	98.1	Very high	97.5	Very high	37 Å²	37	47.5 Å²	47.5	24%	0.24	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	142.2	171.5	27.8	-34.1	0	0	0	110.2	T281 A289	T281-P300 HydrophobicContact CG2-CB 4Å; T281-P300 HydrophobicContact CG2-CG 3.91Å; A289-P300 WeakPolarHBondContact O-CA 3.22Å
301	V	98.3	Very high	97.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-72.6	139.4	171.3	-67.7	0	0	0	0	110.2	M144 F179 S284 A289 F291 M303	M144-V301 HydrophobicContact CE-CG1 3.92Å; F179-V301 HydrophobicContact CB-CB 4.16Å; F179-V301 HydrophobicContact CB-CG1 4.39Å; F179-V301 HydrophobicContact CB-CG2 4.38Å; F179-V301 HydrophobicContact CD1-CB 4.35Å; F179-V301 HydrophobicContact CD1-CG2 3.67Å; F179-V301 HydrophobicContact CG-CG2 4.47Å; S284-V301 WeakPolarHBondContact CB-O 3.22Å; S284-V301 PolarHBondContact OG-O 3.36Å; A289-V301 HydrophobicContact CB-CG2 4.11Å; A289-V301 PolarHBondContact O-N 2.92Å; A289-V301 VanDerWaalsContact O-N 3.15Å; F291-V301 HydrophobicContact CB-CG1 4.14Å; F291-V301 HydrophobicContact CD1-CG1 3.68Å; F291-V301 HydrophobicContact CG-CG1 4.31Å; V301-M303 HydrophobicContact CG2-CG 4.25Å
302	Y	98.6	Very high	97.4	Very high	71 Å²	71	46.2 Å²	46.2	28%	0.278	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	135	170.1	-77.9	-106.3	0	0	0	109	F179 D180 D182 E183 T281	F179-Y302 CarbonylContact C-O 3.55Å; F179-Y302 WeakPolarHBondContact CA-O 3.23Å; D180-Y302 PolarHBondContact N-O 3.34Å; D180-Y302 PolarHBondContact O-N 3.47Å; D182-Y302 VanDerWaalsContact CA-CD2 3.49Å; E183-Y302 HydrophobicContact CB-CD1 3.89Å; E183-Y302 HydrophobicContact CB-CE1 3.64Å; E183-Y302 HydrophobicContact CG-CE1 4.4Å; T281-Y302 HydrophobicContact CG2-CD1 4.24Å; T281-Y302 HydrophobicContact CG2-CD2 4.15Å; T281-Y302 HydrophobicContact CG2-CE1 4.13Å; T281-Y302 HydrophobicContact CG2-CE2 4.03Å; T281-Y302 HydrophobicContact CG2-CG 4.26Å
303	M	98.6	Very high	97.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	150	-168.6	-67.9	177.2	60.3	0	0	113.1	T131 S178 F179 L279 G280 V301	T131-M303 HydrophobicContact CG2-SD 4.18Å; T131-M303 WeakPolarHBondContact OG1-CE 3.39Å; S178-M303 VanDerWaalsContact O-CA 3.29Å; S178-M303 WeakPolarHBondContact O-CA 3.25Å; F179-M303 HydrophobicContact CD1-CG 3.77Å; F179-M303 HydrophobicContact CD1-SD 4.36Å; F179-M303 HydrophobicContact CE1-CE 3.78Å; F179-M303 HydrophobicContact CE1-CG 3.95Å; F179-M303 HydrophobicContact CE1-SD 4.03Å; F179-M303 HydrophobicContact CZ-CE 4.49Å; L279-M303 WeakPolarHBondContact CA-O 3.47Å; L279-M303 HydrophobicContact CB-CB 3.98Å; L279-M303 WeakPolarHBondContact CB-O 3.38Å; L279-M303 HydrophobicContact CD1-CB 4.19Å; L279-M303 HydrophobicContact CD1-CE 4.28Å; L279-M303 PolarHBondContact N-O 2.94Å; G280-M303 PolarHBondContact N-O 2.92Å; G280-M303 PolarHBondContact O-N 3.27Å; V301-M303 HydrophobicContact CG2-CG 4.25Å
304	G	98.7	Very high	97.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.8	158.6	0	0	0	0	0	110.6	Y177 S178 F277 Y306	Y177-G304 WeakPolarHBondContact CA-O 3.35Å; S178-G304 PolarHBondContact N-O 3.29Å; S178-G304 PolarHBondContact O-N 3.08Å; S178-G304 PolarHBondContact OG-N 2.97Å; F277-G304 CarbonylContact O-C 3.48Å; F277-G304 WeakPolarHBondContact O-CA 3.49Å; G304-Y306 VanDerWaalsContact C-CE2 3.41Å
305	C	98.6	Very high	97.5	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.027	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.4	169.8	73.4	0	0	0	0	111.5	E127 L176 Y177 T276 F277 L279	E127-C305 HydrophobicContact CG-CB 4.35Å; E127-C305 PolarHBondContact OE1-SG 2.73Å; E127-C305 VanDerWaalsContact OE1-SG 3.39Å; L176-C305 CarbonylContact O-C 3.56Å; L176-C305 WeakPolarHBondContact O-CA 2.96Å; Y177-C305 HydrophobicContact CD1-CB 3.74Å; Y177-C305 HydrophobicContact CE1-CB 3.78Å; T276-C305 WeakPolarHBondContact CA-O 3.23Å; F277-C305 VanDerWaalsContact CD2-SG 3.51Å; F277-C305 PolarHBondContact N-O 2.91Å; F277-C305 PolarHBondContact O-N 3.31Å; L279-C305 HydrophobicContact CD1-CB 3.88Å
306	Y	98.7	Very high	97.5	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	100.5	-166.2	-43.8	-100.9	0	0	0	109.7	K174 L176 S178 Y190 V193 Y197 T276 G304	K174-Y306 PolarHBondContact NZ-O 3.49Å; L176-Y306 HydrophobicContact CB-CD2 4.35Å; L176-Y306 HydrophobicContact CD2-CD2 3.25Å; L176-Y306 HydrophobicContact CD2-CE2 3.64Å; L176-Y306 HydrophobicContact CD2-CG 4.08Å; L176-Y306 HydrophobicContact CG-CD2 4.39Å; L176-Y306 PolarHBondContact N-O 2.68Å; L176-Y306 WeakPolarHBondContact O-CD2 3.43Å; L176-Y306 PolarHBondContact O-N 3Å; S178-Y306 PolarHBondContact OG-OH 3.28Å; S178-Y306 VanDerWaalsContact OG-OH 3.12Å; Y190-Y306 VanDerWaalsContact CA-OH 3.31Å; Y190-Y306 WeakPolarHBondContact CA-OH 3.43Å; Y190-Y306 HydrophobicContact CD2-CD1 4.43Å; Y190-Y306 AromaticContact CD2-CE1 3.47Å; Y190-Y306 HydrophobicContact CD2-CE1 3.47Å; Y190-Y306 VanDerWaalsContact CD2-CE1 3.47Å; Y190-Y306 HydrophobicContact CE2-CE1 4.07Å; Y190-Y306 HydrophobicContact CG-CE1 4.19Å; V193-Y306 HydrophobicContact CB-CD1 3.68Å; V193-Y306 HydrophobicContact CB-CE1 3.7Å; V193-Y306 HydrophobicContact CB-CG 4.21Å; V193-Y306 HydrophobicContact CG1-CD1 3.38Å; V193-Y306 HydrophobicContact CG1-CD2 4.27Å; V193-Y306 HydrophobicContact CG1-CE1 3.96Å; V193-Y306 HydrophobicContact CG1-CG 3.57Å; V193-Y306 HydrophobicContact CG2-CD1 4.19Å; V193-Y306 HydrophobicContact CG2-CD2 4.39Å; V193-Y306 HydrophobicContact CG2-CE1 3.98Å; V193-Y306 HydrophobicContact CG2-CE2 4.2Å; V193-Y306 HydrophobicContact CG2-CG 4.4Å; Y197-Y306 WeakPolarHBondContact OH-CA 3.28Å; Y197-Y306 WeakPolarHBondContact OH-CB 3.29Å; Y197-Y306 PolarHBondContact OH-O 3.1Å; T276-Y306 HydrophobicContact CG2-CD1 3.65Å; T276-Y306 HydrophobicContact CG2-CG 4.35Å; G304-Y306 VanDerWaalsContact C-CE2 3.41Å
307	G	98.5	Very high	97.6	Very high	10 Å²	10	28.1 Å²	28.1	10%	0.103	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137.5	-176.9	0	0	0	0	0	113.2	K174 Y197 A274 H275	K174-G307 CarbonylContact O-C 3.58Å; K174-G307 VanDerWaalsContact O-CA 3.28Å; K174-G307 WeakPolarHBondContact O-CA 3.23Å; Y197-G307 PolarHBondContact OH-N 3.48Å; A274-G307 CarbonylContact C-O 3.54Å; A274-G307 VanDerWaalsContact CA-O 3.25Å; A274-G307 WeakPolarHBondContact CA-O 3.5Å; A274-G307 VanDerWaalsContact CB-O 3.28Å; A274-G307 WeakPolarHBondContact CB-O 3.42Å; H275-G307 PolarHBondContact N-O 2.99Å; H275-G307 PolarHBondContact O-N 3.48Å
308	I	98.7	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.1	162.8	-64.8	168.8	0	0	0	106.4	M173 K174 Y197 I200 A274 L310 L313	M173-I308 WeakPolarHBondContact CA-O 3.37Å; M173-I308 WeakPolarHBondContact CG-O 3.17Å; K174-I308 HydrophobicContact CB-CB 4.5Å; K174-I308 PolarHBondContact N-O 3.02Å; K174-I308 PolarHBondContact O-N 3.31Å; Y197-I308 HydrophobicContact CD1-CD1 4.04Å; Y197-I308 HydrophobicContact CD2-CD1 4.32Å; Y197-I308 HydrophobicContact CD2-CG1 4.19Å; Y197-I308 HydrophobicContact CE1-CD1 3.77Å; Y197-I308 HydrophobicContact CE1-CG1 4.12Å; Y197-I308 HydrophobicContact CE2-CD1 4.06Å; Y197-I308 HydrophobicContact CE2-CG1 3.61Å; Y197-I308 HydrophobicContact CG-CD1 4.31Å; I200-I308 HydrophobicContact CD1-CD1 3.72Å; A274-I308 HydrophobicContact CB-CB 4.37Å; A274-I308 HydrophobicContact CB-CG1 3.77Å; I308-L310 HydrophobicContact CG2-CD2 3.92Å; I308-L310 PolarHBondContact O-N 3.2Å; I308-L310 VanDerWaalsContact O-N 3.17Å; I308-L313 HydrophobicContact CG2-CD2 4.03Å
309	G	98.2	Very high	97.5	Very high	3 Å²	3	14.3 Å²	14.3	3%	0.031	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	101.1	172.7	0	0	0	0	0	109	L172 I273 R312 L313	L172-G309 CarbonylContact O-C 3.52Å; I273-G309 PolarHBondContact O-N 3.34Å; I273-G309 VanDerWaalsContact O-N 3.13Å; G309-R312 PolarHBondContact O-N 3.26Å; G309-L313 WeakPolarHBondContact O-CB 3.31Å; G309-L313 PolarHBondContact O-N 2.99Å
310	L	98.6	Very high	97.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-70.5	-43.8	-172.3	-62.1	173.6	0	0	0	112.1	L65 I66 V69 I151 L172 K174 I308 R312 L314	L65-L310 HydrophobicContact CD2-CB 4.26Å; L65-L310 HydrophobicContact CD2-CD2 4.03Å; L65-L310 HydrophobicContact CG-CD2 4.07Å; I66-L310 HydrophobicContact CD1-CD1 4.43Å; I66-L310 HydrophobicContact CG1-CD1 3.66Å; V69-L310 HydrophobicContact CG2-CD2 3.93Å; I151-L310 HydrophobicContact CD1-CD1 4.42Å; I151-L310 HydrophobicContact CG2-CD1 3.52Å; L172-L310 HydrophobicContact CD2-CB 4.31Å; L172-L310 HydrophobicContact CD2-CD1 3.97Å; L172-L310 HydrophobicContact CG-CB 4.47Å; L172-L310 HydrophobicContact CG-CD1 4.18Å; L172-L310 PolarHBondContact O-N 2.86Å; K174-L310 HydrophobicContact CB-CD1 4.31Å; K174-L310 HydrophobicContact CB-CD2 4.49Å; K174-L310 HydrophobicContact CB-CG 4.41Å; I308-L310 HydrophobicContact CG2-CD2 3.92Å; I308-L310 PolarHBondContact O-N 3.2Å; I308-L310 VanDerWaalsContact O-N 3.17Å; L310-R312 VanDerWaalsContact C-N 3.32Å; L310-L314 WeakPolarHBondContact O-CB 3.26Å; L310-L314 PolarHBondContact O-N 3.08Å
311	S	97.5	Very high	97.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.5	-36.2	174.1	56.3	0	0	0	0	111.7	Y54 F171 L172 L314 S315	Y54-S311 VanDerWaalsContact OH-CB 3.28Å; Y54-S311 WeakPolarHBondContact OH-CB 3.4Å; F171-S311 WeakPolarHBondContact CB-OG 3.49Å; L172-S311 PolarHBondContact N-OG 2.81Å; L172-S311 VanDerWaalsContact N-OG 3.16Å; L172-S311 PolarHBondContact O-N 3.08Å; S311-L314 PolarHBondContact O-N 3.21Å; S311-S315 PolarHBondContact O-N 2.97Å
312	R	96.2	Very high	97	Very high	44 Å²	44	13.2 Å²	13.2	17%	0.166	6%	0.062	C	C	.	.	H	α-helix	trans	-66.5	-45.9	175.4	-179.2	168.9	-60.6	165.2	-0.7	112.1	G166 E272 G309 L310 L314 S315 A316	G166-R312 VanDerWaalsContact O-CZ 3.25Å; G166-R312 PolarHBondContact O-NE 2.9Å; G166-R312 PolarHBondContact O-NH2 3.02Å; E272-R312 WeakPolarHBondContact O-CD 3.48Å; G309-R312 PolarHBondContact O-N 3.26Å; L310-R312 VanDerWaalsContact C-N 3.32Å; R312-L314 VanDerWaalsContact C-N 3.34Å; R312-L314 PolarHBondContact O-N 2.87Å; R312-S315 WeakPolarHBondContact O-CB 3.42Å; R312-S315 PolarHBondContact O-N 3.48Å; R312-S315 VanDerWaalsContact O-N 3.16Å; R312-A316 WeakPolarHBondContact O-CB 3.31Å; R312-A316 PolarHBondContact O-N 3.03Å
313	L	97.7	Very high	96.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.6	-48.9	174.9	174.2	54.3	0	0	0	109.8	L65 I204 I206 I273 I308 G309 S315 A316 L317	L65-L313 HydrophobicContact CD1-CD2 3.98Å; L65-L313 HydrophobicContact CD2-CD2 4.06Å; L65-L313 HydrophobicContact CD2-CG 4.31Å; I204-L313 HydrophobicContact CD1-CD1 4.28Å; I204-L313 HydrophobicContact CD1-CD2 3.88Å; I204-L313 HydrophobicContact CD1-CG 4.39Å; I206-L313 HydrophobicContact CD1-CD1 3.83Å; I273-L313 HydrophobicContact CB-CB 4.44Å; I273-L313 HydrophobicContact CB-CD1 4.04Å; I273-L313 HydrophobicContact CD1-CD1 3.83Å; I273-L313 HydrophobicContact CG2-CB 4.5Å; I273-L313 HydrophobicContact CG2-CD1 3.96Å; I308-L313 HydrophobicContact CG2-CD2 4.03Å; G309-L313 WeakPolarHBondContact O-CB 3.31Å; G309-L313 PolarHBondContact O-N 2.99Å; L313-S315 VanDerWaalsContact C-N 3.31Å; L313-S315 PolarHBondContact O-N 3.5Å; L313-A316 PolarHBondContact O-N 2.94Å; L313-L317 HydrophobicContact CD1-CD1 4.11Å; L313-L317 HydrophobicContact CD1-CD2 4.31Å; L313-L317 HydrophobicContact CD1-CG 3.99Å; L313-L317 HydrophobicContact CG-CD1 4.12Å; L313-L317 HydrophobicContact CG-CG 4.46Å; L313-L317 WeakPolarHBondContact O-CB 2.98Å; L313-L317 WeakPolarHBondContact O-CG 3Å; L313-L317 PolarHBondContact O-N 2.85Å
314	L	97	Very high	96.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.9	-43	175.2	-174	144.1	0	0	0	112.5	L37 A61 L62 L165 L310 S311 R312 L318 W329	L37-L314 HydrophobicContact CD2-CD2 4.14Å; A61-L314 HydrophobicContact CB-CD1 3.95Å; L62-L314 HydrophobicContact CD2-CB 4.26Å; L62-L314 HydrophobicContact CD2-CD1 3.77Å; L62-L314 HydrophobicContact CG-CD1 3.9Å; L165-L314 HydrophobicContact CD1-CD2 4.24Å; L310-L314 WeakPolarHBondContact O-CB 3.26Å; L310-L314 PolarHBondContact O-N 3.08Å; S311-L314 PolarHBondContact O-N 3.21Å; R312-L314 VanDerWaalsContact C-N 3.34Å; R312-L314 PolarHBondContact O-N 2.87Å; L314-L318 HydrophobicContact CD2-CD1 4.08Å; L314-L318 WeakPolarHBondContact O-CG 3.36Å; L314-L318 PolarHBondContact O-N 3.14Å; L314-W329 HydrophobicContact CD1-CH2 4.18Å; L314-W329 HydrophobicContact CD1-CZ3 3.77Å; L314-W329 HydrophobicContact CD2-CH2 4.11Å; L314-W329 HydrophobicContact CD2-CZ3 4.24Å; L314-W329 HydrophobicContact CG-CH2 4.21Å; L314-W329 HydrophobicContact CG-CZ3 3.83Å
315	S	95.5	Very high	96.1	Very high	4 Å²	4	21.3 Å²	21.3	3%	0.028	11%	0.109	C	C	.	.	H	α-helix	trans	-61.2	-48.9	174.6	-161.1	0	0	0	0	112.5	S33 S311 R312 L313 L317 L318 D319	S33-S315 WeakPolarHBondContact CB-O 3.36Å; S33-S315 PolarHBondContact OG-OG 3.26Å; S311-S315 PolarHBondContact O-N 2.97Å; R312-S315 WeakPolarHBondContact O-CB 3.42Å; R312-S315 PolarHBondContact O-N 3.48Å; R312-S315 VanDerWaalsContact O-N 3.16Å; L313-S315 VanDerWaalsContact C-N 3.31Å; L313-S315 PolarHBondContact O-N 3.5Å; S315-L317 VanDerWaalsContact C-N 3.34Å; S315-L317 PolarHBondContact O-N 3.01Å; S315-L318 PolarHBondContact O-N 3.47Å; S315-D319 WeakPolarHBondContact O-CB 3.48Å; S315-D319 PolarHBondContact O-N 3.13Å
316	A	96	Very high	95.9	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.017	12%	0.118	C	C	.	.	H	α-helix	trans	-63	-41	-177.6	0	0	0	0	0	111.4	L228 H271 I273 R312 L313 L318 D319 V320	L228-A316 HydrophobicContact CD2-CB 4.16Å; L228-A316 WeakPolarHBondContact CD2-O 3.43Å; H271-A316 HydrophobicContact CB-CB 3.76Å; I273-A316 HydrophobicContact CG2-CB 3.76Å; R312-A316 WeakPolarHBondContact O-CB 3.31Å; R312-A316 PolarHBondContact O-N 3.03Å; L313-A316 PolarHBondContact O-N 2.94Å; A316-L318 PolarHBondContact O-N 2.96Å; A316-D319 PolarHBondContact O-N 3.4Å; A316-V320 WeakPolarHBondContact O-CB 3.41Å; A316-V320 WeakPolarHBondContact O-CG2 3.32Å; A316-V320 PolarHBondContact O-N 2.67Å
317	L	96.2	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.1	-51.2	174	-69.2	171.4	0	0	0	111.1	I204 I206 L228 L313 S315 D319 V320 Y321 P330 I333	I204-L317 HydrophobicContact CD1-CD1 4.5Å; I206-L317 HydrophobicContact CB-CD2 4.38Å; I206-L317 HydrophobicContact CD1-CD2 4.05Å; I206-L317 HydrophobicContact CG2-CD2 3.22Å; L228-L317 HydrophobicContact CD2-CD2 4.47Å; L313-L317 HydrophobicContact CD1-CD1 4.11Å; L313-L317 HydrophobicContact CD1-CD2 4.31Å; L313-L317 HydrophobicContact CD1-CG 3.99Å; L313-L317 HydrophobicContact CG-CD1 4.12Å; L313-L317 HydrophobicContact CG-CG 4.46Å; L313-L317 WeakPolarHBondContact O-CB 2.98Å; L313-L317 WeakPolarHBondContact O-CG 3Å; L313-L317 PolarHBondContact O-N 2.85Å; S315-L317 VanDerWaalsContact C-N 3.34Å; S315-L317 PolarHBondContact O-N 3.01Å; L317-D319 VanDerWaalsContact C-N 3.29Å; L317-D319 PolarHBondContact O-N 2.95Å; L317-V320 PolarHBondContact O-N 3.01Å; L317-Y321 HydrophobicContact CB-CD2 4.47Å; L317-Y321 HydrophobicContact CD2-CD2 4.13Å; L317-Y321 HydrophobicContact CD2-CE2 3.78Å; L317-Y321 WeakPolarHBondContact O-CB 3.18Å; L317-Y321 VanDerWaalsContact O-CD2 3.23Å; L317-Y321 WeakPolarHBondContact O-CD2 3.3Å; L317-Y321 PolarHBondContact O-N 2.83Å; L317-P330 HydrophobicContact CD1-CG 4.39Å; L317-P330 HydrophobicContact CD2-CG 4.26Å; L317-I333 HydrophobicContact CD1-CD1 3.43Å; L317-I333 VanDerWaalsContact CD1-CD1 3.43Å
318	L	95.5	Very high	95.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.8	-31.6	-179.8	-68.1	177.6	0	0	0	112.4	L37 L314 S315 A316 S322 M327 W329	L37-L318 HydrophobicContact CD1-CD1 4.22Å; L37-L318 HydrophobicContact CD2-CD1 3.47Å; L37-L318 VanDerWaalsContact CD2-CD1 3.47Å; L37-L318 HydrophobicContact CG-CD1 3.78Å; L314-L318 HydrophobicContact CD2-CD1 4.08Å; L314-L318 WeakPolarHBondContact O-CG 3.36Å; L314-L318 PolarHBondContact O-N 3.14Å; S315-L318 PolarHBondContact O-N 3.47Å; A316-L318 PolarHBondContact O-N 2.96Å; L318-S322 WeakPolarHBondContact CA-OG 3.47Å; L318-S322 WeakPolarHBondContact O-CB 3.38Å; L318-S322 PolarHBondContact O-N 3.1Å; L318-S322 PolarHBondContact O-OG 3.16Å; L318-M327 HydrophobicContact CD1-SD 4.19Å; L318-M327 HydrophobicContact CD2-CB 4.09Å; L318-M327 HydrophobicContact CD2-CG 4.17Å; L318-M327 HydrophobicContact CD2-SD 4.39Å; L318-W329 HydrophobicContact CD1-CH2 3.66Å; L318-W329 HydrophobicContact CD1-CZ2 3.89Å; L318-W329 HydrophobicContact CD1-CZ3 4.23Å; L318-W329 HydrophobicContact CD2-CD2 3.93Å; L318-W329 HydrophobicContact CD2-CE3 4.1Å; L318-W329 HydrophobicContact CD2-CH2 4.07Å; L318-W329 HydrophobicContact CD2-CZ2 3.86Å; L318-W329 HydrophobicContact CD2-CZ3 4.17Å; L318-W329 HydrophobicContact CG-CH2 4.2Å; L318-W329 HydrophobicContact CG-CZ2 4.4Å; L318-W329 HydrophobicContact CG-CZ3 4.33Å
319	D	94.8	Very high	95.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-43.3	176.6	-171.2	65.3	0	0	0	111.5	R32 S230 S232 H271 S315 A316 L317	R32-D319 PolarHBondContact NH1-O 2.92Å; S230-D319 PolarHBondContact OG-OD2 2.92Å; S232-D319 PolarHBondContact OG-OD1 3.34Å; S232-D319 PolarHBondContact OG-OD2 3.18Å; H271-D319 IonicContact CD2-OD2 2.73Å; H271-D319 IonicContact CE1-OD2 3.31Å; H271-D319 IonicContact NE2-OD2 3.29Å; H271-D319 PolarHBondContact NE2-OD2 2.87Å; S315-D319 WeakPolarHBondContact O-CB 3.48Å; S315-D319 PolarHBondContact O-N 3.13Å; A316-D319 PolarHBondContact O-N 3.4Å; L317-D319 VanDerWaalsContact C-N 3.29Å; L317-D319 PolarHBondContact O-N 2.95Å
320	V	94.3	Very high	95.6	Very high	43 Å²	43	24.3 Å²	24.3	26%	0.261	12%	0.119	S	C	.	.	H	α-helix	trans	-80.4	-44.4	-174.2	170.4	0	0	0	0	112.9	L228 L229 A316 L317	L228-V320 HydrophobicContact CD2-CB 3.66Å; L228-V320 HydrophobicContact CD2-CG1 4.1Å; L228-V320 HydrophobicContact CD2-CG2 3.51Å; L228-V320 HydrophobicContact CG-CB 4.24Å; L228-V320 HydrophobicContact CG-CG1 4.26Å; L228-V320 HydrophobicContact CG-CG2 3.82Å; L229-V320 WeakPolarHBondContact O-CG2 2.93Å; A316-V320 WeakPolarHBondContact O-CB 3.41Å; A316-V320 WeakPolarHBondContact O-CG2 3.32Å; A316-V320 PolarHBondContact O-N 2.67Å; L317-V320 PolarHBondContact O-N 3.01Å
321	Y	94.4	Very high	95.5	Very high	90 Å²	90	26.5 Å²	26.5	35%	0.353	13%	0.13	S	C	.	.	H	α-helix	trans	-93.8	-22.2	-171.3	-63.1	-69	0	0	0	113.8	I206 L228 L317 R328	I206-Y321 HydrophobicContact CG2-CE2 3.62Å; I206-Y321 WeakPolarHBondContact CG2-OH 3.48Å; L228-Y321 HydrophobicContact CD1-CE2 4.44Å; L228-Y321 HydrophobicContact CD2-CE2 4.19Å; L317-Y321 HydrophobicContact CB-CD2 4.47Å; L317-Y321 HydrophobicContact CD2-CD2 4.13Å; L317-Y321 HydrophobicContact CD2-CE2 3.78Å; L317-Y321 WeakPolarHBondContact O-CB 3.18Å; L317-Y321 VanDerWaalsContact O-CD2 3.23Å; L317-Y321 WeakPolarHBondContact O-CD2 3.3Å; L317-Y321 PolarHBondContact O-N 2.83Å; Y321-R328 VanDerWaalsContact O-CB 3.26Å; Y321-R328 WeakPolarHBondContact O-CB 3.3Å; Y321-R328 WeakPolarHBondContact O-CG 3.38Å
322	S	95.4	Very high	95.4	Very high	6 Å²	6	28.4 Å²	28.4	4%	0.042	14%	0.144	C	C	.	.			trans	-75.9	155	-178	-51.5	0	0	0	0	112.1	R32 L36 L318 E326 M327 R328	R32-S322 WeakPolarHBondContact CD-O 3.41Å; R32-S322 PolarHBondContact NH1-O 3.37Å; L36-S322 VanDerWaalsContact CD1-CB 3.44Å; L318-S322 WeakPolarHBondContact CA-OG 3.47Å; L318-S322 WeakPolarHBondContact O-CB 3.38Å; L318-S322 PolarHBondContact O-N 3.1Å; L318-S322 PolarHBondContact O-OG 3.16Å; S322-E326 VanDerWaalsContact CB-O 3.31Å; S322-E326 WeakPolarHBondContact CB-O 3.42Å; S322-M327 WeakPolarHBondContact OG-CA 3.49Å; S322-R328 PolarHBondContact OG-N 2.76Å; S322-R328 VanDerWaalsContact OG-N 3.08Å
323	T	94	Very high	95.4	Very high	53 Å²	53	26.3 Å²	26.3	33%	0.325	14%	0.136	S	C	.	.			trans	-80.1	179.2	164	73.2	0	0	0	0	109.7	R32 E325 E326	R32-T323 WeakPolarHBondContact CD-O 3.45Å; T323-E325 PolarHBondContact O-N 2.94Å; T323-E325 PolarHBondContact OG1-N 3.08Å; T323-E326 PolarHBondContact N-O 2.93Å; T323-E326 WeakPolarHBondContact OG1-CB 3.27Å; T323-E326 PolarHBondContact OG1-N 3.3Å; T323-E326 PolarHBondContact OG1-O 3.44Å
324	D	91.5	Very high	95.4	Very high	76 Å²	76	26.3 Å²	26.3	41%	0.406	14%	0.136	S	C	.	.	S	Bend	trans	-68	-25.3	176.5	-69.7	-24	0	0	0	112.2	R32 R35	R32-D324 IonicContact CZ-OD1 3.01Å; R32-D324 IonicContact NE-OD1 3.03Å; R32-D324 PolarHBondContact NE-OD1 3.02Å; R32-D324 IonicContact NH2-OD1 3.5Å; R32-D324 PolarHBondContact NH2-OD1 3.25Å; R35-D324 PolarHBondContact NH1-O 3.33Å; R35-D324 PolarHBondContact NH2-O 3.11Å
325	E	91.2	Very high	95.4	Very high	111 Å²	111	26.4 Å²	26.4	52%	0.519	14%	0.136	S	C	.	.	S	Bend	trans	-105.7	-32	-177.8	-66.9	69.5	-148.6	0	0	113.5	T323 R378	T323-E325 PolarHBondContact O-N 2.94Å; T323-E325 PolarHBondContact OG1-N 3.08Å; E325-R378 WeakPolarHBondContact O-CG 3.3Å
326	E	94.6	Very high	95.4	Very high	47 Å²	47	27.5 Å²	27.5	22%	0.22	14%	0.14	C	C	.	.	S	Bend	trans	-122.8	125.7	-167.1	-58.6	-177.3	165.1	0	0	111.6	S322 T323 R328 K377	S322-E326 VanDerWaalsContact CB-O 3.31Å; S322-E326 WeakPolarHBondContact CB-O 3.42Å; T323-E326 PolarHBondContact N-O 2.93Å; T323-E326 WeakPolarHBondContact OG1-CB 3.27Å; T323-E326 PolarHBondContact OG1-N 3.3Å; T323-E326 PolarHBondContact OG1-O 3.44Å; E326-R328 VanDerWaalsContact CB-NH1 3.31Å; E326-R328 IonicContact OE2-CZ 3.7Å; E326-R328 VanDerWaalsContact OE2-CZ 3.31Å; E326-R328 IonicContact OE2-NH1 3.61Å; E326-R328 PolarHBondContact OE2-NH1 2.94Å; E326-R328 IonicContact OE2-NH2 2.8Å; E326-R328 PolarHBondContact OE2-NH2 2.92Å; E326-K377 HydrophobicContact CG-CB 4.43Å; E326-K377 WeakPolarHBondContact OE1-CB 3.45Å
327	M	96.3	Very high	95.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.			trans	-63.7	146.2	172.7	-71.9	-177.8	-65.7	0	0	110.7	L36 N40 L42 L318 S322 W329 R378 M379 G380	L36-M327 HydrophobicContact CB-CG 3.78Å; L36-M327 HydrophobicContact CB-SD 4.18Å; L36-M327 HydrophobicContact CD1-CG 3.91Å; L36-M327 HydrophobicContact CD2-CG 4.41Å; L36-M327 HydrophobicContact CG-CG 4.26Å; N40-M327 HydrophobicContact CB-CE 3.7Å; N40-M327 WeakPolarHBondContact ND2-CE 3.37Å; L42-M327 HydrophobicContact CD1-CE 3.59Å; L42-M327 HydrophobicContact CD1-SD 4.17Å; L42-M327 HydrophobicContact CD2-CE 4.4Å; L42-M327 HydrophobicContact CD2-SD 4.33Å; L318-M327 HydrophobicContact CD1-SD 4.19Å; L318-M327 HydrophobicContact CD2-CB 4.09Å; L318-M327 HydrophobicContact CD2-CG 4.17Å; L318-M327 HydrophobicContact CD2-SD 4.39Å; S322-M327 WeakPolarHBondContact OG-CA 3.49Å; M327-W329 HydrophobicContact SD-CZ2 4.04Å; M327-R378 PolarHBondContact N-O 2.79Å; M327-M379 HydrophobicContact CE-CE 4.16Å; M327-M379 WeakPolarHBondContact CE-O 3.39Å; M327-M379 HydrophobicContact CE-SD 4Å; M327-G380 WeakPolarHBondContact O-CA 3.32Å
328	R	96.8	Very high	95.3	Very high	16 Å²	16	29.7 Å²	29.7	6%	0.06	15%	0.15	C	C	.	.			trans	-126.6	118.2	170	-62.3	-64.4	-168	-115.9	7.4	109.1	Y321 S322 E326 V404 N407	Y321-R328 VanDerWaalsContact O-CB 3.26Å; Y321-R328 WeakPolarHBondContact O-CB 3.3Å; Y321-R328 WeakPolarHBondContact O-CG 3.38Å; S322-R328 PolarHBondContact OG-N 2.76Å; S322-R328 VanDerWaalsContact OG-N 3.08Å; E326-R328 VanDerWaalsContact CB-NH1 3.31Å; E326-R328 IonicContact OE2-CZ 3.7Å; E326-R328 VanDerWaalsContact OE2-CZ 3.31Å; E326-R328 IonicContact OE2-NH1 3.61Å; E326-R328 PolarHBondContact OE2-NH1 2.94Å; E326-R328 IonicContact OE2-NH2 2.8Å; E326-R328 PolarHBondContact OE2-NH2 2.92Å; R328-V404 PolarHBondContact NE-O 3.4Å; R328-V404 PolarHBondContact NH2-O 2.99Å; R328-N407 PolarHBondContact NH2-OD1 3.16Å
329	W	97.1	Very high	95.3	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.015	15%	0.15	C	C	.	.			trans	-104.1	140.5	179.6	-62.2	89.1	0	0	0	110	L42 A61 L314 L318 M327 I331 I333 A334 P335 M379 G380 N405	L42-W329 HydrophobicContact CD2-CH2 3.8Å; L42-W329 HydrophobicContact CD2-CZ2 3.43Å; L42-W329 VanDerWaalsContact CD2-CZ2 3.43Å; A61-W329 HydrophobicContact CB-CE3 4.37Å; A61-W329 HydrophobicContact CB-CH2 4.14Å; A61-W329 HydrophobicContact CB-CZ3 3.79Å; L314-W329 HydrophobicContact CD1-CH2 4.18Å; L314-W329 HydrophobicContact CD1-CZ3 3.77Å; L314-W329 HydrophobicContact CD2-CH2 4.11Å; L314-W329 HydrophobicContact CD2-CZ3 4.24Å; L314-W329 HydrophobicContact CG-CH2 4.21Å; L314-W329 HydrophobicContact CG-CZ3 3.83Å; L318-W329 HydrophobicContact CD1-CH2 3.66Å; L318-W329 HydrophobicContact CD1-CZ2 3.89Å; L318-W329 HydrophobicContact CD1-CZ3 4.23Å; L318-W329 HydrophobicContact CD2-CD2 3.93Å; L318-W329 HydrophobicContact CD2-CE3 4.1Å; L318-W329 HydrophobicContact CD2-CH2 4.07Å; L318-W329 HydrophobicContact CD2-CZ2 3.86Å; L318-W329 HydrophobicContact CD2-CZ3 4.17Å; L318-W329 HydrophobicContact CG-CH2 4.2Å; L318-W329 HydrophobicContact CG-CZ2 4.4Å; L318-W329 HydrophobicContact CG-CZ3 4.33Å; M327-W329 HydrophobicContact SD-CZ2 4.04Å; W329-I331 PolarHBondContact O-N 3.11Å; W329-I333 HydrophobicContact CE3-CD1 4.41Å; W329-I333 HydrophobicContact CE3-CG1 4.44Å; W329-A334 HydrophobicContact CB-CB 3.57Å; W329-A334 HydrophobicContact CG-CB 4.1Å; W329-P335 HydrophobicContact CZ2-CG 4.41Å; W329-M379 PolarHBondContact NE1-O 3.31Å; W329-G380 VanDerWaalsContact CD1-O 3.25Å; W329-N405 PolarHBondContact O-ND2 2.8Å
330	P	96.8	Very high	95.3	Very high	14 Å²	14	29.7 Å²	29.7	9%	0.091	15%	0.15	C	C	.	.			trans	-56.3	133.2	157.3	-19	30.4	0	0	0	109.6	I204 L317 S332 I333 A334	I204-P330 WeakPolarHBondContact O-CB 3.49Å; I204-P330 WeakPolarHBondContact O-CG 3.37Å; L317-P330 HydrophobicContact CD1-CG 4.39Å; L317-P330 HydrophobicContact CD2-CG 4.26Å; P330-S332 PolarHBondContact O-N 3.36Å; P330-S332 VanDerWaalsContact O-N 3.08Å; P330-I333 HydrophobicContact CB-CG1 4.11Å; P330-I333 HydrophobicContact CG-CD1 4.24Å; P330-I333 HydrophobicContact CG-CG1 4.13Å; P330-I333 PolarHBondContact O-N 2.78Å; P330-A334 PolarHBondContact O-N 2.74Å
331	I	95.9	Very high	95.3	Very high	46 Å²	46	27.6 Å²	27.6	24%	0.236	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-38.5	-174.4	-67.3	172	0	0	0	111.4	W329 I333 K337 P382 F383 V424	W329-I331 PolarHBondContact O-N 3.11Å; I331-I333 VanDerWaalsContact C-N 3.26Å; I331-I333 PolarHBondContact O-N 2.85Å; I331-K337 HydrophobicContact CG2-CD 4.11Å; I331-K337 HydrophobicContact CG2-CG 4.13Å; I331-P382 HydrophobicContact CG1-CB 4.02Å; I331-P382 HydrophobicContact CG1-CG 4.23Å; I331-F383 HydrophobicContact CD1-CE2 3.95Å; I331-F383 HydrophobicContact CD1-CZ 3.85Å; I331-F383 HydrophobicContact CG1-CE2 4.38Å; I331-V424 HydrophobicContact CD1-CB 4.5Å
332	S	95.8	Very high	95.1	Very high	41 Å²	41	24.2 Å²	24.2	29%	0.287	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.8	-177.1	55.9	0	0	0	0	115.3	R203 I204 P330	R203-S332 WeakPolarHBondContact O-CB 3.34Å; R203-S332 PolarHBondContact O-OG 3.47Å; I204-S332 WeakPolarHBondContact CA-OG 3.49Å; P330-S332 PolarHBondContact O-N 3.36Å; P330-S332 VanDerWaalsContact O-N 3.08Å
333	I	97.2	Very high	94.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-3.9	178.3	69.6	163.7	0	0	0	114.3	A61 K64 L65 I68 I204 L317 W329 P330 I331	A61-I333 WeakPolarHBondContact CA-O 3.33Å; A61-I333 VanDerWaalsContact CB-O 3.29Å; A61-I333 WeakPolarHBondContact CB-O 3.46Å; K64-I333 HydrophobicContact CB-CB 4.48Å; L65-I333 HydrophobicContact CB-CG2 4.09Å; L65-I333 HydrophobicContact CD1-CG2 4.42Å; I68-I333 HydrophobicContact CD1-CG2 3.87Å; I204-I333 HydrophobicContact CG2-CG2 3.78Å; L317-I333 HydrophobicContact CD1-CD1 3.43Å; L317-I333 VanDerWaalsContact CD1-CD1 3.43Å; W329-I333 HydrophobicContact CE3-CD1 4.41Å; W329-I333 HydrophobicContact CE3-CG1 4.44Å; P330-I333 HydrophobicContact CB-CG1 4.11Å; P330-I333 HydrophobicContact CG-CD1 4.24Å; P330-I333 HydrophobicContact CG-CG1 4.13Å; P330-I333 PolarHBondContact O-N 2.78Å; I331-I333 VanDerWaalsContact C-N 3.26Å; I331-I333 PolarHBondContact O-N 2.85Å
334	A	97.5	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-52.6	138.7	175.2	0	0	0	0	0	110.5	K64 W329 P330 Y336 P382	K64-A334 WeakPolarHBondContact CD-O 3.13Å; K64-A334 WeakPolarHBondContact CE-O 3.47Å; K64-A334 PolarHBondContact NZ-O 3.35Å; W329-A334 HydrophobicContact CB-CB 3.57Å; W329-A334 HydrophobicContact CG-CB 4.1Å; P330-A334 PolarHBondContact O-N 2.74Å; A334-Y336 VanDerWaalsContact C-N 3.29Å; A334-Y336 PolarHBondContact O-N 2.86Å; A334-P382 HydrophobicContact CB-CG 3.56Å
335	P	96.3	Very high	92.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	15%	0.149	C	C	.	.	S	Bend	trans	-51.8	-47.7	-178.8	-25.7	30.6	0	0	0	112.5	L57 R60 A61 K64 W329	L57-P335 HydrophobicContact CB-CB 4.21Å; L57-P335 HydrophobicContact CB-CG 4.35Å; L57-P335 HydrophobicContact CD2-CB 4.21Å; L57-P335 WeakPolarHBondContact O-CG 3.32Å; R60-P335 VanDerWaalsContact CD-O 3.27Å; R60-P335 WeakPolarHBondContact CD-O 3.35Å; R60-P335 PolarHBondContact NE-O 2.67Å; A61-P335 HydrophobicContact CB-CG 4.13Å; K64-P335 WeakPolarHBondContact CE-O 3.31Å; K64-P335 PolarHBondContact NZ-O 2.92Å; W329-P335 HydrophobicContact CZ2-CG 4.41Å
336	Y	96.3	Very high	91	Very high	27 Å²	27	32.6 Å²	32.6	11%	0.106	16%	0.164	C	C	.	.			trans	-129.7	141.8	167.8	-68.7	-88.3	0	0	0	108.7	A7 L57 A334 I360 Y381 P382	A7-Y336 HydrophobicContact CB-CE1 3.73Å; A7-Y336 WeakPolarHBondContact CB-OH 3.22Å; L57-Y336 HydrophobicContact CD2-CD2 4.06Å; L57-Y336 HydrophobicContact CD2-CE2 3.65Å; A334-Y336 VanDerWaalsContact C-N 3.29Å; A334-Y336 PolarHBondContact O-N 2.86Å; Y336-I360 HydrophobicContact CD1-CB 3.81Å; Y336-I360 HydrophobicContact CD1-CG2 4.31Å; Y336-I360 HydrophobicContact CD2-CB 3.86Å; Y336-I360 HydrophobicContact CD2-CD1 3.85Å; Y336-I360 HydrophobicContact CD2-CG1 4.46Å; Y336-I360 HydrophobicContact CD2-CG2 3.91Å; Y336-I360 HydrophobicContact CE1-CB 4.1Å; Y336-I360 HydrophobicContact CE2-CB 4.15Å; Y336-I360 HydrophobicContact CE2-CD1 3.57Å; Y336-I360 HydrophobicContact CE2-CG1 4.38Å; Y336-I360 HydrophobicContact CG-CB 3.68Å; Y336-I360 HydrophobicContact CG-CG2 3.72Å; Y336-Y381 HydrophobicContact CD2-CE1 4.04Å; Y336-Y381 HydrophobicContact CG-CE1 4.47Å; Y336-P382 VanDerWaalsContact O-CD 3.3Å; Y336-P382 WeakPolarHBondContact O-CD 3.49Å
337	K	95	Very high	88.8	Confident	42 Å²	42	32.6 Å²	32.6	18%	0.183	17%	0.17	C	C	.	.	S	Bend	trans	-72.2	-39.8	177.7	-178.3	176.7	-174.1	-174	0	110.2	I331 E358 P382 F383 L421 V424	I331-K337 HydrophobicContact CG2-CD 4.11Å; I331-K337 HydrophobicContact CG2-CG 4.13Å; K337-E358 HydrophobicContact CB-CB 4.09Å; K337-E358 PolarHBondContact N-O 3.18Å; K337-P382 WeakPolarHBondContact O-CD 3.35Å; K337-F383 HydrophobicContact CG-CD2 3.88Å; K337-F383 HydrophobicContact CG-CE2 4.13Å; K337-F383 WeakPolarHBondContact O-CD2 3.26Å; K337-F383 PolarHBondContact O-N 2.87Å; K337-F383 VanDerWaalsContact O-N 3.1Å; K337-L421 PolarHBondContact NZ-O 2.94Å; K337-V424 PolarHBondContact NZ-O 3.28Å
338	V	95.3	Very high	86.2	Confident	6 Å²	6	42.1 Å²	42.1	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.6	-175.4	-171.2	0	0	0	0	110.5	V340 L355 E358 V359 I360 F383 V385 L421	V338-V340 HydrophobicContact CG1-CG2 4.25Å; V338-L355 HydrophobicContact CG1-CD1 3.95Å; V338-E358 PolarHBondContact N-O 3.39Å; V338-V359 HydrophobicContact CB-CG1 4.41Å; V338-V359 HydrophobicContact CB-CG2 4.21Å; V338-V359 CarbonylContact O-C 3.59Å; V338-V359 WeakPolarHBondContact O-CA 3.37Å; V338-I360 PolarHBondContact O-N 3.29Å; V338-F383 CarbonylContact C-O 3.59Å; V338-F383 VanDerWaalsContact CA-O 3.3Å; V338-F383 WeakPolarHBondContact CA-O 3.35Å; V338-F383 HydrophobicContact CG2-CB 4.28Å; V338-V385 HydrophobicContact CG1-CG2 3.72Å; V338-L421 HydrophobicContact CG2-CD1 3.98Å; V338-L421 HydrophobicContact CG2-CD2 3.86Å
339	C	95.7	Very high	84	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120	167	179.1	0	0	0	0	110	I360 Y381 F383 L384 V385	C339-I360 CarbonylContact C-O 3.6Å; C339-I360 VanDerWaalsContact CA-O 3.27Å; C339-I360 WeakPolarHBondContact CA-O 3.4Å; C339-I360 HydrophobicContact CB-CG2 3.91Å; C339-Y381 HydrophobicContact CB-CD1 4.44Å; C339-Y381 HydrophobicContact CB-CD2 3.56Å; C339-Y381 HydrophobicContact CB-CE2 4.17Å; C339-Y381 HydrophobicContact CB-CG 3.7Å; C339-F383 PolarHBondContact N-O 2.82Å; C339-L384 HydrophobicContact CB-CD2 3.81Å; C339-L384 CarbonylContact O-C 3.6Å; C339-L384 VanDerWaalsContact O-CA 3.31Å; C339-L384 WeakPolarHBondContact O-CA 3.43Å; C339-V385 PolarHBondContact O-N 2.78Å
340	V	94.1	Very high	81.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128	178.6	-177.3	0	0	0	0	109.5	V338 P342 L352 L355 V359 I360 Y361 D362 V385 V387	V338-V340 HydrophobicContact CG1-CG2 4.25Å; V340-P342 WeakPolarHBondContact O-CD 3.49Å; V340-L352 HydrophobicContact CG1-CD2 3.95Å; V340-L355 HydrophobicContact CG2-CD1 4.1Å; V340-V359 HydrophobicContact CG2-CG1 3.7Å; V340-I360 PolarHBondContact N-O 2.82Å; V340-Y361 HydrophobicContact CB-CD1 3.6Å; V340-Y361 HydrophobicContact CB-CE1 3.73Å; V340-Y361 HydrophobicContact CB-CG 4.38Å; V340-Y361 HydrophobicContact CG1-CD1 3.81Å; V340-Y361 HydrophobicContact CG1-CE1 3.78Å; V340-Y361 HydrophobicContact CG2-CD1 4.25Å; V340-Y361 HydrophobicContact CG2-CE1 3.93Å; V340-Y361 WeakPolarHBondContact O-CA 3.17Å; V340-D362 PolarHBondContact O-N 3.48Å; V340-V385 CarbonylContact C-O 3.59Å; V340-V385 WeakPolarHBondContact CA-O 3.48Å; V340-V385 HydrophobicContact CG2-CB 4.27Å; V340-V387 HydrophobicContact CG1-CG2 4.25Å
341	I	93.9	Very high	79.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	97.9	-177.9	-58.6	173.7	0	0	0	108.9	D362 V369 R372 V373 A376 V385 V386 V387	I341-D362 HydrophobicContact CG1-CB 4.19Å; I341-V369 HydrophobicContact CG2-CG1 4.17Å; I341-R372 HydrophobicContact CD1-CB 4.39Å; I341-R372 HydrophobicContact CG2-CB 3.94Å; I341-V373 HydrophobicContact CD1-CB 4.22Å; I341-V373 HydrophobicContact CD1-CG2 3.65Å; I341-A376 HydrophobicContact CD1-CB 4.04Å; I341-V385 PolarHBondContact N-O 3.35Å; I341-V386 HydrophobicContact CB-CG2 4.42Å; I341-V386 HydrophobicContact CD1-CG2 4.31Å; I341-V387 PolarHBondContact O-N 3.36Å
342	P	90.5	Very high	78.4	Confident	18 Å²	18	55.9 Å²	55.9	12%	0.117	28%	0.284	C	S	.	.			trans	-68.8	162.9	176.3	24.1	-31.2	0	0	0	112.8	V340 L352 D362 R372	V340-P342 WeakPolarHBondContact O-CD 3.49Å; P342-L352 HydrophobicContact CB-CD2 4.13Å; P342-D362 WeakPolarHBondContact CD-O 3.45Å; P342-R372 VanDerWaalsContact O-CZ 3.26Å; P342-R372 PolarHBondContact O-NH1 2.88Å; P342-R372 PolarHBondContact O-NH2 2.82Å
343	P	87	Confident	76.8	Confident	13 Å²	13	54.3 Å²	54.3	8%	0.084	27%	0.273	C	S	.	.			trans	-65.7	170.7	172.7	30.7	-35.8	0	0	0	112.3	M345 S347 V387 K389 L392	P343-M345 PolarHBondContact O-N 2.87Å; P343-S347 WeakPolarHBondContact CG-OG 3.5Å; P343-V387 WeakPolarHBondContact CD-O 3.36Å; P343-K389 HydrophobicContact CB-CB 4.33Å; P343-L392 HydrophobicContact CG-CD1 4.47Å
344	K	80.6	Confident	75.5	Confident	119 Å²	119	60 Å²	60	52%	0.517	30%	0.304	S	S	.	.	S	Bend	trans	-81.9	111.8	177.3	-147.6	-175.8	-174.3	-178	0	109.6	S365 S366	K344-S365 WeakPolarHBondContact CE-O 3.35Å; K344-S365 WeakPolarHBondContact CG-O 3.27Å; K344-S366 WeakPolarHBondContact CE-O 3.49Å; K344-S366 PolarHBondContact NZ-O 3.43Å
345	M	62.7	Low	74.2	Confident	134 Å²	134	60.8 Å²	60.8	66%	0.66	31%	0.308	S	S	*	.	S	Bend	trans	65.8	145	174.4	-68.8	-73.7	-74.9	0	0	118.8	P343 S347	P343-M345 PolarHBondContact O-N 2.87Å; M345-S347 PolarHBondContact O-N 3.39Å
346	N	55	Low	73	Confident	156 Å²	156	69.5 Å²	69.5	83%	0.834	35%	0.346	S	S	*	.			trans	62.4	3.2	173.7	-74.2	4.1	0	0	0	120.4	R348	N346-R348 PolarHBondContact O-N 3.46Å; N346-R348 VanDerWaalsContact O-N 3.12Å
347	S	49.1	Very low	72	Confident	47 Å²	47	70.8 Å²	70.8	33%	0.329	37%	0.367	S	S	.	.			trans	-77	103.3	169.6	56.6	0	0	0	0	109.6	P343 M345 E349	P343-S347 WeakPolarHBondContact CG-OG 3.5Å; M345-S347 PolarHBondContact O-N 3.39Å; S347-E349 PolarHBondContact O-N 3.09Å
348	R	41.8	Very low	71.8	Confident	201 Å²	201	71.3 Å²	71.3	76%	0.758	37%	0.37	S	S	*	.			trans	-32.6	133.6	164.6	-64.3	173.1	175.1	174.5	-2.5	109.9	N346 S350 V351	N346-R348 PolarHBondContact O-N 3.46Å; N346-R348 VanDerWaalsContact O-N 3.12Å; R348-S350 WeakPolarHBondContact CB-OG 3.2Å; R348-S350 PolarHBondContact O-N 3.05Å; R348-V351 PolarHBondContact O-N 3.43Å
349	E	49.8	Very low	71.7	Confident	165 Å²	165	71.6 Å²	71.6	77%	0.771	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-46.2	-19.4	166.9	-64.7	176	156.1	0	0	112.4	S347 V351 L352	S347-E349 PolarHBondContact O-N 3.09Å; E349-V351 PolarHBondContact O-N 2.85Å; E349-L352 PolarHBondContact O-N 2.77Å
350	S	50.3	Low	71.6	Confident	87 Å²	87	71.6 Å²	71.6	61%	0.608	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-65.1	-17.5	-177.8	69.9	0	0	0	0	117.2	R348	R348-S350 WeakPolarHBondContact CB-OG 3.2Å; R348-S350 PolarHBondContact O-N 3.05Å
351	V	56.9	Low	71.6	Confident	75 Å²	75	72 Å²	72	46%	0.455	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-112.7	9	-178.9	-153.1	0	0	0	0	113.4	R348 E349 L392	R348-V351 PolarHBondContact O-N 3.43Å; E349-V351 PolarHBondContact O-N 2.85Å; V351-L392 HydrophobicContact CB-CD2 4.18Å; V351-L392 HydrophobicContact CG1-CD2 3.61Å
352	L	65.6	Low	71.5	Confident	42 Å²	42	72 Å²	72	22%	0.22	37%	0.373	C	S	.	.	S	Bend	trans	-69.4	132.8	168.2	-71.3	171	0	0	0	108.6	V340 P342 E349 N354 Y361	V340-L352 HydrophobicContact CG1-CD2 3.95Å; P342-L352 HydrophobicContact CB-CD2 4.13Å; E349-L352 PolarHBondContact O-N 2.77Å; L352-N354 PolarHBondContact O-N 2.93Å; L352-N354 VanDerWaalsContact O-N 3.09Å; L352-Y361 HydrophobicContact CB-CE1 3.94Å; L352-Y361 HydrophobicContact CD1-CD1 3.8Å; L352-Y361 HydrophobicContact CD1-CE1 3.74Å; L352-Y361 HydrophobicContact CD2-CD1 4.09Å; L352-Y361 HydrophobicContact CD2-CE1 3.98Å; L352-Y361 HydrophobicContact CG-CD1 4.43Å; L352-Y361 HydrophobicContact CG-CE1 4.1Å
353	P	63.1	Low	71.6	Confident	8 Å²	8	73.5 Å²	73.5	5%	0.052	38%	0.38	C	S	.	.			trans	-58.7	123	173.5	26.9	-33.6	0	0	0	107.3	L355 Y361 V385 L399 H414	P353-L355 HydrophobicContact CB-CD2 4.19Å; P353-L355 HydrophobicContact CB-CG 3.95Å; P353-L355 HydrophobicContact CG-CD1 4.2Å; P353-L355 HydrophobicContact CG-CG 4.13Å; P353-L355 PolarHBondContact O-N 2.82Å; P353-Y361 PolarHBondContact O-OH 3.41Å; P353-V385 HydrophobicContact CG-CG1 4.36Å; P353-L399 HydrophobicContact CB-CD1 4.38Å; P353-L399 HydrophobicContact CG-CD1 4.17Å; P353-H414 WeakPolarHBondContact CB-ND1 3.41Å
354	N	69.2	Low	71.8	Confident	120 Å²	120	75.4 Å²	75.4	64%	0.642	39%	0.386	S	S	*	.			trans	-75.4	70	178	-171.6	9.8	0	0	0	109.2	L352 K356	L352-N354 PolarHBondContact O-N 2.93Å; L352-N354 VanDerWaalsContact O-N 3.09Å; N354-K356 PolarHBondContact O-N 3.06Å
355	L	71	Confident	72.1	Confident	16 Å²	16	72.2 Å²	72.2	8%	0.084	38%	0.378	C	S	.	.			trans	-74.4	119.4	178.2	-62	178.4	0	0	0	107.9	V338 V340 P353 V359 V385 L417 L421	V338-L355 HydrophobicContact CG1-CD1 3.95Å; V340-L355 HydrophobicContact CG2-CD1 4.1Å; P353-L355 HydrophobicContact CB-CD2 4.19Å; P353-L355 HydrophobicContact CB-CG 3.95Å; P353-L355 HydrophobicContact CG-CD1 4.2Å; P353-L355 HydrophobicContact CG-CG 4.13Å; P353-L355 PolarHBondContact O-N 2.82Å; L355-V359 HydrophobicContact CB-CG1 4.43Å; L355-V359 HydrophobicContact CB-CG2 3.69Å; L355-V385 HydrophobicContact CD1-CG2 4.25Å; L355-L417 HydrophobicContact CD1-CD2 4.47Å; L355-L417 HydrophobicContact CD2-CD2 4.44Å; L355-L421 HydrophobicContact CD1-CD1 3.93Å; L355-L421 HydrophobicContact CD2-CD1 4.06Å
356	K	69.2	Low	73.4	Confident	184 Å²	184	70.1 Å²	70.1	80%	0.8	38%	0.377	S	S	*	.			trans	-79.2	149.9	173.2	-66.2	-178.9	-179.4	174.9	0	109.8	N354	N354-K356 PolarHBondContact O-N 3.06Å
357	G	77.1	Confident	75.1	Confident	54 Å²	54	66.3 Å²	66.3	56%	0.557	35%	0.354	S	S	*	.	S	Bend	trans	104.6	-142.1	171.2	0	0	0	0	0	113.6	V359	G357-V359 VanDerWaalsContact C-N 3.26Å; G357-V359 PolarHBondContact O-N 2.97Å
358	E	89.7	Confident	77.2	Confident	52 Å²	52	66.9 Å²	66.9	24%	0.243	36%	0.358	C	S	.	.	S	Bend	trans	-84.7	65.8	-168.7	-55.8	-170.4	128.2	0	0	112.2	R60 K64 K337 V338	R60-E358 IonicContact NH2-OE1 2.77Å; K64-E358 WeakPolarHBondContact CE-OE1 3.35Å; K64-E358 IonicContact NZ-OE1 2.85Å; K64-E358 PolarHBondContact NZ-OE1 2.87Å; K64-E358 IonicContact NZ-OE2 3.34Å; K64-E358 PolarHBondContact NZ-OE2 3.34Å; K337-E358 HydrophobicContact CB-CB 4.09Å; K337-E358 PolarHBondContact N-O 3.18Å; V338-E358 PolarHBondContact N-O 3.39Å
359	V	93.2	Very high	79.6	Confident	12 Å²	12	59.1 Å²	59.1	7%	0.073	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.2	-174	-173.9	0	0	0	0	110.9	V338 V340 L355 G357 Y361	V338-V359 HydrophobicContact CB-CG1 4.41Å; V338-V359 HydrophobicContact CB-CG2 4.21Å; V338-V359 CarbonylContact O-C 3.59Å; V338-V359 WeakPolarHBondContact O-CA 3.37Å; V340-V359 HydrophobicContact CG2-CG1 3.7Å; L355-V359 HydrophobicContact CB-CG1 4.43Å; L355-V359 HydrophobicContact CB-CG2 3.69Å; G357-V359 VanDerWaalsContact C-N 3.26Å; G357-V359 PolarHBondContact O-N 2.97Å; V359-Y361 HydrophobicContact CG1-CE2 4.02Å
360	I	93.9	Very high	81.7	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.7	170.2	-171.4	163	0	0	0	110.9	A7 L9 V12 Y336 V338 C339 V340 Y381	A7-I360 HydrophobicContact CB-CB 4.45Å; A7-I360 HydrophobicContact CB-CG1 4.28Å; A7-I360 CarbonylContact O-C 3.57Å; A7-I360 WeakPolarHBondContact O-CA 3.42Å; L9-I360 HydrophobicContact CB-CD1 4.06Å; L9-I360 HydrophobicContact CB-CG1 4.19Å; L9-I360 HydrophobicContact CD1-CD1 3.73Å; L9-I360 HydrophobicContact CG-CD1 4.47Å; V12-I360 HydrophobicContact CG2-CD1 3.89Å; Y336-I360 HydrophobicContact CD1-CB 3.81Å; Y336-I360 HydrophobicContact CD1-CG2 4.31Å; Y336-I360 HydrophobicContact CD2-CB 3.86Å; Y336-I360 HydrophobicContact CD2-CD1 3.85Å; Y336-I360 HydrophobicContact CD2-CG1 4.46Å; Y336-I360 HydrophobicContact CD2-CG2 3.91Å; Y336-I360 HydrophobicContact CE1-CB 4.1Å; Y336-I360 HydrophobicContact CE2-CB 4.15Å; Y336-I360 HydrophobicContact CE2-CD1 3.57Å; Y336-I360 HydrophobicContact CE2-CG1 4.38Å; Y336-I360 HydrophobicContact CG-CB 3.68Å; Y336-I360 HydrophobicContact CG-CG2 3.72Å; V338-I360 PolarHBondContact O-N 3.29Å; C339-I360 CarbonylContact C-O 3.6Å; C339-I360 VanDerWaalsContact CA-O 3.27Å; C339-I360 WeakPolarHBondContact CA-O 3.4Å; C339-I360 HydrophobicContact CB-CG2 3.91Å; V340-I360 PolarHBondContact N-O 2.82Å; I360-Y381 HydrophobicContact CG2-CD1 4.43Å; I360-Y381 HydrophobicContact CG2-CE1 4.02Å
361	Y	93.1	Very high	83.8	Confident	10 Å²	10	53 Å²	53	4%	0.039	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.6	177.1	-66.6	-91.8	0	0	0	110.3	C6 A7 F8 L9 V340 L352 P353 V359 D363	C6-Y361 HydrophobicContact CB-CD2 4.02Å; C6-Y361 HydrophobicContact CB-CE2 3.88Å; A7-Y361 PolarHBondContact O-N 3.18Å; F8-Y361 HydrophobicContact CE1-CG 4.4Å; L9-Y361 WeakPolarHBondContact CB-O 3.34Å; L9-Y361 PolarHBondContact N-O 3.18Å; V340-Y361 HydrophobicContact CB-CD1 3.6Å; V340-Y361 HydrophobicContact CB-CE1 3.73Å; V340-Y361 HydrophobicContact CB-CG 4.38Å; V340-Y361 HydrophobicContact CG1-CD1 3.81Å; V340-Y361 HydrophobicContact CG1-CE1 3.78Å; V340-Y361 HydrophobicContact CG2-CD1 4.25Å; V340-Y361 HydrophobicContact CG2-CE1 3.93Å; V340-Y361 WeakPolarHBondContact O-CA 3.17Å; L352-Y361 HydrophobicContact CB-CE1 3.94Å; L352-Y361 HydrophobicContact CD1-CD1 3.8Å; L352-Y361 HydrophobicContact CD1-CE1 3.74Å; L352-Y361 HydrophobicContact CD2-CD1 4.09Å; L352-Y361 HydrophobicContact CD2-CE1 3.98Å; L352-Y361 HydrophobicContact CG-CD1 4.43Å; L352-Y361 HydrophobicContact CG-CE1 4.1Å; P353-Y361 PolarHBondContact O-OH 3.41Å; V359-Y361 HydrophobicContact CG1-CE2 4.02Å; Y361-D363 VanDerWaalsContact C-N 3.32Å; Y361-D363 PolarHBondContact O-N 2.91Å; Y361-D363 VanDerWaalsContact O-N 3.1Å
362	D	93.6	Very high	85.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.28	C	S	.	.			trans	-83.5	79.2	171.6	-167.3	-15.7	0	0	0	110.7	L9 V340 I341 P342 R364 R372	L9-D362 HydrophobicContact CD2-CB 4.13Å; V340-D362 PolarHBondContact O-N 3.48Å; I341-D362 HydrophobicContact CG1-CB 4.19Å; P342-D362 WeakPolarHBondContact CD-O 3.45Å; D362-R364 PolarHBondContact O-N 3.34Å; D362-R364 WeakPolarHBondContact OD1-CB 3.5Å; D362-R364 WeakPolarHBondContact OD1-CG 3.36Å; D362-R364 IonicContact OD1-CZ 3.77Å; D362-R364 PolarHBondContact OD1-N 2.93Å; D362-R364 IonicContact OD1-NE 2.8Å; D362-R364 PolarHBondContact OD1-NE 3.37Å; D362-R364 IonicContact OD1-NH2 3.69Å; D362-R364 PolarHBondContact OD1-NH2 3.37Å; D362-R364 IonicContact OD2-CZ 3.03Å; D362-R364 IonicContact OD2-NE 3.57Å; D362-R364 IonicContact OD2-NH2 2.77Å; D362-R364 PolarHBondContact OD2-NH2 3.12Å; D362-R372 PolarHBondContact O-NH1 2.86Å; D362-R372 VanDerWaalsContact OD1-CD 3.26Å; D362-R372 WeakPolarHBondContact OD1-CD 3.35Å; D362-R372 VanDerWaalsContact OD2-CB 3.25Å; D362-R372 WeakPolarHBondContact OD2-CB 3.46Å; D362-R372 WeakPolarHBondContact OD2-CG 3.5Å
363	D	91.1	Very high	87.1	Confident	49 Å²	49	48.4 Å²	48.4	26%	0.262	28%	0.275	S	S	.	.			trans	-80.3	8.7	-177.8	66.8	-44.3	0	0	0	114	F8 L9 S10 Y361 S365	F8-D363 HydrophobicContact CD1-CB 3.95Å; L9-D363 PolarHBondContact N-OD1 3.38Å; S10-D363 VanDerWaalsContact CB-OD1 3.26Å; S10-D363 WeakPolarHBondContact CB-OD1 3.37Å; S10-D363 VanDerWaalsContact CB-OD2 3.23Å; S10-D363 WeakPolarHBondContact CB-OD2 3.26Å; S10-D363 PolarHBondContact N-OD1 2.95Å; S10-D363 VanDerWaalsContact OG-CG 3.25Å; S10-D363 PolarHBondContact OG-OD1 2.93Å; S10-D363 PolarHBondContact OG-OD2 3.17Å; Y361-D363 VanDerWaalsContact C-N 3.32Å; Y361-D363 PolarHBondContact O-N 2.91Å; Y361-D363 VanDerWaalsContact O-N 3.1Å; D363-S365 PolarHBondContact O-N 3.44Å
364	R	91.4	Very high	88.6	Confident	53 Å²	53	55.7 Å²	55.7	20%	0.2	30%	0.301	C	S	.	.			trans	-74.2	63.2	179.4	-57.8	174.5	-62.2	178.5	1.5	111.5	L9 D362 S366 Q367 N375	L9-R364 VanDerWaalsContact CD2-NH2 3.28Å; D362-R364 PolarHBondContact O-N 3.34Å; D362-R364 WeakPolarHBondContact OD1-CB 3.5Å; D362-R364 WeakPolarHBondContact OD1-CG 3.36Å; D362-R364 IonicContact OD1-CZ 3.77Å; D362-R364 PolarHBondContact OD1-N 2.93Å; D362-R364 IonicContact OD1-NE 2.8Å; D362-R364 PolarHBondContact OD1-NE 3.37Å; D362-R364 IonicContact OD1-NH2 3.69Å; D362-R364 PolarHBondContact OD1-NH2 3.37Å; D362-R364 IonicContact OD2-CZ 3.03Å; D362-R364 IonicContact OD2-NE 3.57Å; D362-R364 IonicContact OD2-NH2 2.77Å; D362-R364 PolarHBondContact OD2-NH2 3.12Å; R364-S366 PolarHBondContact O-N 2.89Å; R364-S366 VanDerWaalsContact O-N 3.1Å; R364-Q367 HydrophobicContact CB-CG 4.45Å; R364-Q367 WeakPolarHBondContact O-CB 3.18Å; R364-Q367 PolarHBondContact O-N 2.89Å; R364-N375 PolarHBondContact NH1-OD1 2.98Å; R364-N375 PolarHBondContact NH2-OD1 2.86Å
365	S	87.7	Confident	89.8	Confident	51 Å²	51	51 Å²	51	36%	0.357	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.4	-173.1	63.3	0	0	0	0	114.7	K344 D363 Q367	K344-S365 WeakPolarHBondContact CE-O 3.35Å; K344-S365 WeakPolarHBondContact CG-O 3.27Å; D363-S365 PolarHBondContact O-N 3.44Å; S365-Q367 PolarHBondContact O-N 2.86Å
366	S	90.2	Very high	91	Very high	90 Å²	90	50.2 Å²	50.2	63%	0.629	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-31	167.5	56.7	0	0	0	0	112	K344 R364	K344-S366 WeakPolarHBondContact CE-O 3.49Å; K344-S366 PolarHBondContact NZ-O 3.43Å; R364-S366 PolarHBondContact O-N 2.89Å; R364-S366 VanDerWaalsContact O-N 3.1Å
367	Q	90.7	Very high	92.3	Very high	77 Å²	77	44.2 Å²	44.2	36%	0.36	25%	0.246	S	C	.	.	S	Bend	trans	-84.3	154	178.1	-58.4	-62.7	-32.2	0	0	112.2	R364 S365 Y371 R372	R364-Q367 HydrophobicContact CB-CG 4.45Å; R364-Q367 WeakPolarHBondContact O-CB 3.18Å; R364-Q367 PolarHBondContact O-N 2.89Å; S365-Q367 PolarHBondContact O-N 2.86Å; Q367-Y371 HydrophobicContact CB-CD1 3.78Å; Q367-Y371 HydrophobicContact CB-CE1 4.42Å; Q367-Y371 HydrophobicContact CG-CD1 3.93Å; Q367-Y371 HydrophobicContact CG-CE1 4.06Å; Q367-R372 HydrophobicContact CB-CG 4.03Å
368	S	92.5	Very high	93.2	Very high	58 Å²	58	44.7 Å²	44.7	41%	0.406	23%	0.231	S	C	.	.			trans	-69	155.1	175.1	69.8	0	0	0	0	111.6	G370 Y371 R372	S368-G370 VanDerWaalsContact C-N 3.3Å; S368-G370 PolarHBondContact O-N 3.43Å; S368-Y371 PolarHBondContact O-N 3.09Å; S368-Y371 VanDerWaalsContact OG-CB 3.29Å; S368-Y371 WeakPolarHBondContact OG-CB 3.21Å; S368-Y371 PolarHBondContact OG-N 2.83Å; S368-R372 PolarHBondContact O-N 2.91Å; S368-R372 VanDerWaalsContact O-N 3.08Å
369	V	92.4	Very high	93.5	Very high	38 Å²	38	42.2 Å²	42.2	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-56.4	-47.8	172.2	175.6	0	0	0	0	109.8	I341 Y371 R372 V373 V386	I341-V369 HydrophobicContact CG2-CG1 4.17Å; V369-Y371 VanDerWaalsContact C-N 3.32Å; V369-Y371 PolarHBondContact O-N 3.12Å; V369-R372 VanDerWaalsContact CG2-NH2 3.35Å; V369-R372 PolarHBondContact O-N 2.78Å; V369-R372 VanDerWaalsContact O-N 3.11Å; V369-V373 HydrophobicContact CG1-CG2 4.19Å; V369-V373 WeakPolarHBondContact O-CG2 3.44Å; V369-V373 PolarHBondContact O-N 2.92Å; V369-V386 HydrophobicContact CG1-CG1 3.72Å
370	G	93.9	Very high	93.6	Very high	36 Å²	36	41.7 Å²	41.7	37%	0.371	22%	0.216	S	C	.	.	H	α-helix	trans	-60.4	-36	178.9	0	0	0	0	0	114.1	S368 R374	S368-G370 VanDerWaalsContact C-N 3.3Å; S368-G370 PolarHBondContact O-N 3.43Å; G370-R374 WeakPolarHBondContact O-CG 3.34Å; G370-R374 PolarHBondContact O-N 3.29Å; G370-R374 VanDerWaalsContact O-N 3.12Å
371	Y	94.2	Very high	93.8	Very high	89 Å²	89	41.7 Å²	41.7	35%	0.349	22%	0.216	S	C	.	.	H	α-helix	trans	-65.6	-46.6	173.1	176.4	-90.1	0	0	0	111.6	Q367 S368 V369 V373 R374 N375	Q367-Y371 HydrophobicContact CB-CD1 3.78Å; Q367-Y371 HydrophobicContact CB-CE1 4.42Å; Q367-Y371 HydrophobicContact CG-CD1 3.93Å; Q367-Y371 HydrophobicContact CG-CE1 4.06Å; S368-Y371 PolarHBondContact O-N 3.09Å; S368-Y371 VanDerWaalsContact OG-CB 3.29Å; S368-Y371 WeakPolarHBondContact OG-CB 3.21Å; S368-Y371 PolarHBondContact OG-N 2.83Å; V369-Y371 VanDerWaalsContact C-N 3.32Å; V369-Y371 PolarHBondContact O-N 3.12Å; Y371-V373 PolarHBondContact O-N 2.78Å; Y371-R374 PolarHBondContact O-N 3.09Å; Y371-N375 HydrophobicContact CE1-CB 4.38Å; Y371-N375 WeakPolarHBondContact O-CB 3.33Å; Y371-N375 PolarHBondContact O-N 3.18Å
372	R	94.5	Very high	94	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-41.6	179	-73	-176.3	-72.5	155.4	4.7	112	I341 P342 D362 Q367 S368 V369 N375 A376	I341-R372 HydrophobicContact CD1-CB 4.39Å; I341-R372 HydrophobicContact CG2-CB 3.94Å; P342-R372 VanDerWaalsContact O-CZ 3.26Å; P342-R372 PolarHBondContact O-NH1 2.88Å; P342-R372 PolarHBondContact O-NH2 2.82Å; D362-R372 PolarHBondContact O-NH1 2.86Å; D362-R372 VanDerWaalsContact OD1-CD 3.26Å; D362-R372 WeakPolarHBondContact OD1-CD 3.35Å; D362-R372 VanDerWaalsContact OD2-CB 3.25Å; D362-R372 WeakPolarHBondContact OD2-CB 3.46Å; D362-R372 WeakPolarHBondContact OD2-CG 3.5Å; Q367-R372 HydrophobicContact CB-CG 4.03Å; S368-R372 PolarHBondContact O-N 2.91Å; S368-R372 VanDerWaalsContact O-N 3.08Å; V369-R372 VanDerWaalsContact CG2-NH2 3.35Å; V369-R372 PolarHBondContact O-N 2.78Å; V369-R372 VanDerWaalsContact O-N 3.11Å; R372-N375 PolarHBondContact O-N 3.02Å; R372-A376 VanDerWaalsContact O-CB 3.26Å; R372-A376 WeakPolarHBondContact O-CB 3.43Å; R372-A376 PolarHBondContact O-N 3.14Å
373	V	96.6	Very high	94.2	Very high	19 Å²	19	41.3 Å²	41.3	12%	0.115	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-50.7	173.7	173.2	0	0	0	0	110.6	I341 V369 Y371 N375 A376 K377 L384 V386	I341-V373 HydrophobicContact CD1-CB 4.22Å; I341-V373 HydrophobicContact CD1-CG2 3.65Å; V369-V373 HydrophobicContact CG1-CG2 4.19Å; V369-V373 WeakPolarHBondContact O-CG2 3.44Å; V369-V373 PolarHBondContact O-N 2.92Å; Y371-V373 PolarHBondContact O-N 2.78Å; V373-N375 VanDerWaalsContact C-N 3.33Å; V373-N375 PolarHBondContact O-N 3.42Å; V373-A376 PolarHBondContact O-N 2.84Å; V373-K377 HydrophobicContact CG1-CD 4.43Å; V373-K377 WeakPolarHBondContact O-CG 3.31Å; V373-K377 PolarHBondContact O-N 2.96Å; V373-L384 HydrophobicContact CG1-CD1 4.45Å; V373-V386 HydrophobicContact CG2-CG1 4.35Å; V373-V386 HydrophobicContact CG2-CG2 3.6Å
374	R	95.6	Very high	94.5	Very high	162 Å²	162	39 Å²	39	61%	0.611	20%	0.202	S	C	*	.	H	α-helix	trans	-60.1	-42.9	177.2	-73.3	-167.9	-57.4	-97.4	4.2	112.2	G370 Y371 K377 R378	G370-R374 WeakPolarHBondContact O-CG 3.34Å; G370-R374 PolarHBondContact O-N 3.29Å; G370-R374 VanDerWaalsContact O-N 3.12Å; Y371-R374 PolarHBondContact O-N 3.09Å; R374-K377 PolarHBondContact O-N 3.12Å; R374-R378 WeakPolarHBondContact O-CB 3.27Å; R374-R378 PolarHBondContact O-N 3.27Å
375	N	94.6	Very high	94.6	Very high	20 Å²	20	36.5 Å²	36.5	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-41.9	178.1	-176.9	-110.7	0	0	0	111.7	R364 Y371 R372 V373 R378 M379	R364-N375 PolarHBondContact NH1-OD1 2.98Å; R364-N375 PolarHBondContact NH2-OD1 2.86Å; Y371-N375 HydrophobicContact CE1-CB 4.38Å; Y371-N375 WeakPolarHBondContact O-CB 3.33Å; Y371-N375 PolarHBondContact O-N 3.18Å; R372-N375 PolarHBondContact O-N 3.02Å; V373-N375 VanDerWaalsContact C-N 3.33Å; V373-N375 PolarHBondContact O-N 3.42Å; N375-R378 WeakPolarHBondContact O-CB 3.36Å; N375-R378 PolarHBondContact O-N 3.29Å; N375-M379 WeakPolarHBondContact O-CG 3.26Å; N375-M379 PolarHBondContact O-N 2.92Å
376	A	96.4	Very high	94.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.7	-38.4	178.5	0	0	0	0	0	112.5	I341 R372 V373 M379 G380 Y381 L384	I341-A376 HydrophobicContact CD1-CB 4.04Å; R372-A376 VanDerWaalsContact O-CB 3.26Å; R372-A376 WeakPolarHBondContact O-CB 3.43Å; R372-A376 PolarHBondContact O-N 3.14Å; V373-A376 PolarHBondContact O-N 2.84Å; A376-M379 WeakPolarHBondContact O-CB 3.5Å; A376-M379 PolarHBondContact O-N 2.86Å; A376-G380 PolarHBondContact O-N 2.75Å; A376-Y381 HydrophobicContact CB-CD2 3.94Å; A376-Y381 HydrophobicContact CB-CE2 4.43Å; A376-Y381 WeakPolarHBondContact O-CD2 3.41Å; A376-Y381 PolarHBondContact O-N 3.27Å; A376-L384 HydrophobicContact CB-CD1 3.9Å; A376-L384 HydrophobicContact CB-CD2 3.6Å; A376-L384 HydrophobicContact CB-CG 4.4Å
377	K	96.7	Very high	94.9	Very high	59 Å²	59	30 Å²	30	26%	0.257	15%	0.147	S	C	.	.	H	α-helix	trans	-63.1	-44.3	170.2	-70.5	-171.9	177.2	-172.5	0	111.7	E326 V373 R374 M379 G380 L384 V404	E326-K377 HydrophobicContact CG-CB 4.43Å; E326-K377 WeakPolarHBondContact OE1-CB 3.45Å; V373-K377 HydrophobicContact CG1-CD 4.43Å; V373-K377 WeakPolarHBondContact O-CG 3.31Å; V373-K377 PolarHBondContact O-N 2.96Å; R374-K377 PolarHBondContact O-N 3.12Å; K377-M379 VanDerWaalsContact C-N 3.27Å; K377-M379 PolarHBondContact O-N 3.29Å; K377-G380 WeakPolarHBondContact O-CA 3.39Å; K377-G380 PolarHBondContact O-N 3.01Å; K377-L384 HydrophobicContact CB-CD1 4.44Å; K377-L384 HydrophobicContact CG-CD1 3.45Å; K377-L384 VanDerWaalsContact CG-CD1 3.45Å; K377-V404 HydrophobicContact CG-CG2 4.31Å
378	R	95.3	Very high	94.6	Very high	63 Å²	63	28.9 Å²	28.9	24%	0.238	14%	0.144	C	C	.	.	H	α-helix	trans	-57.5	-41.3	175.7	-158.3	-170.3	-178.2	-175.2	2	112	D39 N40 E325 M327 R374 N375 G380	D39-R378 VanDerWaalsContact CB-NH2 3.28Å; D39-R378 IonicContact OD2-NH2 3.46Å; D39-R378 PolarHBondContact OD2-NH2 3.48Å; N40-R378 VanDerWaalsContact OD1-CD 3.26Å; N40-R378 WeakPolarHBondContact OD1-CD 3.44Å; N40-R378 WeakPolarHBondContact OD1-CG 3.46Å; E325-R378 WeakPolarHBondContact O-CG 3.3Å; M327-R378 PolarHBondContact N-O 2.79Å; R374-R378 WeakPolarHBondContact O-CB 3.27Å; R374-R378 PolarHBondContact O-N 3.27Å; N375-R378 WeakPolarHBondContact O-CB 3.36Å; N375-R378 PolarHBondContact O-N 3.29Å; R378-G380 PolarHBondContact O-N 3.03Å
379	M	95.6	Very high	94	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-67	-19.4	174.8	-76.1	-56.7	-58.5	0	0	114	Q14 N40 L42 L57 M327 W329 N375 A376 K377 Y381	Q14-M379 PolarHBondContact NE2-SD 3.41Å; N40-M379 HydrophobicContact CB-SD 3.62Å; L42-M379 HydrophobicContact CD1-CE 3.63Å; L42-M379 HydrophobicContact CD1-SD 4.07Å; L42-M379 HydrophobicContact CG-CE 4.42Å; L57-M379 HydrophobicContact CD1-CE 3.49Å; L57-M379 VanDerWaalsContact CD1-CE 3.49Å; M327-M379 HydrophobicContact CE-CE 4.16Å; M327-M379 WeakPolarHBondContact CE-O 3.39Å; M327-M379 HydrophobicContact CE-SD 4Å; W329-M379 PolarHBondContact NE1-O 3.31Å; N375-M379 WeakPolarHBondContact O-CG 3.26Å; N375-M379 PolarHBondContact O-N 2.92Å; A376-M379 WeakPolarHBondContact O-CB 3.5Å; A376-M379 PolarHBondContact O-N 2.86Å; K377-M379 VanDerWaalsContact C-N 3.27Å; K377-M379 PolarHBondContact O-N 3.29Å; M379-Y381 HydrophobicContact CB-CD2 3.83Å; M379-Y381 HydrophobicContact CB-CE2 3.58Å; M379-Y381 HydrophobicContact CG-CE2 4.04Å
380	G	96.7	Very high	93.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	22.3	178	0	0	0	0	0	114.6	M327 W329 A376 K377 R378 P382	M327-G380 WeakPolarHBondContact O-CA 3.32Å; W329-G380 VanDerWaalsContact CD1-O 3.25Å; A376-G380 PolarHBondContact O-N 2.75Å; K377-G380 WeakPolarHBondContact O-CA 3.39Å; K377-G380 PolarHBondContact O-N 3.01Å; R378-G380 PolarHBondContact O-N 3.03Å; G380-P382 VanDerWaalsContact O-CD 3.31Å; G380-P382 WeakPolarHBondContact O-CD 3.41Å; G380-P382 VanDerWaalsContact O-N 3.12Å
381	Y	97.5	Very high	92.4	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	16%	0.157	C	C	.	.			trans	-56.2	121.4	171.3	-61.5	-63.3	0	0	0	108.6	Y336 C339 I360 A376 M379 F383 L384 V404	Y336-Y381 HydrophobicContact CD2-CE1 4.04Å; Y336-Y381 HydrophobicContact CG-CE1 4.47Å; C339-Y381 HydrophobicContact CB-CD1 4.44Å; C339-Y381 HydrophobicContact CB-CD2 3.56Å; C339-Y381 HydrophobicContact CB-CE2 4.17Å; C339-Y381 HydrophobicContact CB-CG 3.7Å; I360-Y381 HydrophobicContact CG2-CD1 4.43Å; I360-Y381 HydrophobicContact CG2-CE1 4.02Å; A376-Y381 HydrophobicContact CB-CD2 3.94Å; A376-Y381 HydrophobicContact CB-CE2 4.43Å; A376-Y381 WeakPolarHBondContact O-CD2 3.41Å; A376-Y381 PolarHBondContact O-N 3.27Å; M379-Y381 HydrophobicContact CB-CD2 3.83Å; M379-Y381 HydrophobicContact CB-CE2 3.58Å; M379-Y381 HydrophobicContact CG-CE2 4.04Å; Y381-F383 PolarHBondContact O-N 3.49Å; Y381-F383 VanDerWaalsContact O-N 3.14Å; Y381-L384 HydrophobicContact CD2-CD2 4.41Å; Y381-V404 WeakPolarHBondContact O-CB 3.29Å; Y381-V404 WeakPolarHBondContact O-CG2 3.37Å
382	P	97.3	Very high	91.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-57	-36.3	-169.7	-29.5	35.6	0	0	0	113.7	I331 A334 Y336 K337 G380 V404	I331-P382 HydrophobicContact CG1-CB 4.02Å; I331-P382 HydrophobicContact CG1-CG 4.23Å; A334-P382 HydrophobicContact CB-CG 3.56Å; Y336-P382 VanDerWaalsContact O-CD 3.3Å; Y336-P382 WeakPolarHBondContact O-CD 3.49Å; K337-P382 WeakPolarHBondContact O-CD 3.35Å; G380-P382 VanDerWaalsContact O-CD 3.31Å; G380-P382 WeakPolarHBondContact O-CD 3.41Å; G380-P382 VanDerWaalsContact O-N 3.12Å; P382-V404 WeakPolarHBondContact O-CB 3.22Å; P382-V404 PolarHBondContact O-N 3.3Å
383	F	97	Very high	90.8	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.4	179	-55.6	-68.7	0	0	0	111.4	I331 K337 V338 C339 Y381 L401 H402 D403 Y420 L421 V424	I331-F383 HydrophobicContact CD1-CE2 3.95Å; I331-F383 HydrophobicContact CD1-CZ 3.85Å; I331-F383 HydrophobicContact CG1-CE2 4.38Å; K337-F383 HydrophobicContact CG-CD2 3.88Å; K337-F383 HydrophobicContact CG-CE2 4.13Å; K337-F383 WeakPolarHBondContact O-CD2 3.26Å; K337-F383 PolarHBondContact O-N 2.87Å; K337-F383 VanDerWaalsContact O-N 3.1Å; V338-F383 CarbonylContact C-O 3.59Å; V338-F383 VanDerWaalsContact CA-O 3.3Å; V338-F383 WeakPolarHBondContact CA-O 3.35Å; V338-F383 HydrophobicContact CG2-CB 4.28Å; C339-F383 PolarHBondContact N-O 2.82Å; Y381-F383 PolarHBondContact O-N 3.49Å; Y381-F383 VanDerWaalsContact O-N 3.14Å; F383-L401 HydrophobicContact CB-CD1 4.03Å; F383-L401 HydrophobicContact CD1-CD1 4.42Å; F383-H402 VanDerWaalsContact CA-O 3.32Å; F383-H402 WeakPolarHBondContact CA-O 3.41Å; F383-D403 HydrophobicContact CD1-CB 4.38Å; F383-D403 HydrophobicContact CE1-CB 4.26Å; F383-Y420 HydrophobicContact CD1-CE1 4.13Å; F383-Y420 AromaticContact CE1-CE1 3.72Å; F383-Y420 HydrophobicContact CE1-CE1 3.72Å; F383-Y420 HydrophobicContact CZ-CE1 4.48Å; F383-L421 HydrophobicContact CB-CD2 3.89Å; F383-L421 HydrophobicContact CD1-CD2 4.28Å; F383-L421 HydrophobicContact CD2-CD2 3.75Å; F383-L421 HydrophobicContact CE2-CD2 4.41Å; F383-L421 HydrophobicContact CG-CD2 3.68Å; F383-V424 HydrophobicContact CE1-CG2 4.34Å; F383-V424 HydrophobicContact CE2-CB 4.4Å; F383-V424 HydrophobicContact CE2-CG2 3.55Å; F383-V424 HydrophobicContact CZ-CB 3.96Å; F383-V424 HydrophobicContact CZ-CG1 4.32Å; F383-V424 HydrophobicContact CZ-CG2 3.44Å; F383-V424 VanDerWaalsContact CZ-CG2 3.44Å
384	L	97	Very high	90.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.7	172.7	-44.6	-177.9	0	0	0	109.7	C339 V373 A376 K377 Y381 L401 H402 V404	C339-L384 HydrophobicContact CB-CD2 3.81Å; C339-L384 CarbonylContact O-C 3.6Å; C339-L384 VanDerWaalsContact O-CA 3.31Å; C339-L384 WeakPolarHBondContact O-CA 3.43Å; V373-L384 HydrophobicContact CG1-CD1 4.45Å; A376-L384 HydrophobicContact CB-CD1 3.9Å; A376-L384 HydrophobicContact CB-CD2 3.6Å; A376-L384 HydrophobicContact CB-CG 4.4Å; K377-L384 HydrophobicContact CB-CD1 4.44Å; K377-L384 HydrophobicContact CG-CD1 3.45Å; K377-L384 VanDerWaalsContact CG-CD1 3.45Å; Y381-L384 HydrophobicContact CD2-CD2 4.41Å; L384-L401 CarbonylContact O-C 3.54Å; L384-L401 WeakPolarHBondContact O-CA 3.11Å; L384-H402 HydrophobicContact CB-CB 3.98Å; L384-H402 HydrophobicContact CD1-CB 4.3Å; L384-H402 HydrophobicContact CG-CB 4.17Å; L384-H402 PolarHBondContact N-O 3.5Å; L384-H402 PolarHBondContact O-N 3.26Å; L384-V404 HydrophobicContact CD1-CG2 3.97Å; L384-V404 HydrophobicContact CD2-CG2 4.27Å; L384-V404 HydrophobicContact CG-CG2 3.69Å
385	V	94.9	Very high	89.5	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	105.5	175.9	179	0	0	0	0	108	V338 C339 V340 I341 P353 L355 L399 E400 L401 L417	V338-V385 HydrophobicContact CG1-CG2 3.72Å; C339-V385 PolarHBondContact O-N 2.78Å; V340-V385 CarbonylContact C-O 3.59Å; V340-V385 WeakPolarHBondContact CA-O 3.48Å; V340-V385 HydrophobicContact CG2-CB 4.27Å; I341-V385 PolarHBondContact N-O 3.35Å; P353-V385 HydrophobicContact CG-CG1 4.36Å; L355-V385 HydrophobicContact CD1-CG2 4.25Å; V385-L399 HydrophobicContact CG1-CB 4.22Å; V385-L399 HydrophobicContact CG1-CD1 4.08Å; V385-E400 CarbonylContact C-O 3.49Å; V385-E400 WeakPolarHBondContact CA-O 3.27Å; V385-L401 HydrophobicContact CG2-CD1 4.09Å; V385-L417 HydrophobicContact CG1-CD2 3.84Å; V385-L417 HydrophobicContact CG2-CD1 3.97Å; V385-L417 HydrophobicContact CG2-CD2 3.96Å
386	V	94.3	Very high	88.9	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.3	179.9	-174.2	0	0	0	0	109.2	I341 V369 V373 E400	I341-V386 HydrophobicContact CB-CG2 4.42Å; I341-V386 HydrophobicContact CD1-CG2 4.31Å; V369-V386 HydrophobicContact CG1-CG1 3.72Å; V373-V386 HydrophobicContact CG2-CG1 4.35Å; V373-V386 HydrophobicContact CG2-CG2 3.6Å; V386-E400 HydrophobicContact CB-CB 4.02Å; V386-E400 HydrophobicContact CB-CG 4.19Å; V386-E400 HydrophobicContact CG2-CG 4.46Å; V386-E400 PolarHBondContact N-O 3.1Å; V386-E400 PolarHBondContact O-N 3.35Å; V386-E400 VanDerWaalsContact O-N 3.12Å
387	V	89.8	Confident	88.4	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.249	C	C	.	.			trans	-99.4	103	179.9	-172.1	0	0	0	0	108.8	V340 I341 P343 L392 L399	V340-V387 HydrophobicContact CG1-CG2 4.25Å; I341-V387 PolarHBondContact O-N 3.36Å; P343-V387 WeakPolarHBondContact CD-O 3.36Å; V387-L392 HydrophobicContact CG1-CD1 4.26Å; V387-L392 HydrophobicContact CG1-CD2 3.83Å; V387-L392 HydrophobicContact CG1-CG 4.19Å; V387-L399 HydrophobicContact CB-CD2 4.45Å; V387-L399 HydrophobicContact CG1-CD2 4.16Å; V387-L399 HydrophobicContact CG2-CD2 4.12Å
388	N	83.5	Confident	88	Confident	54 Å²	54	48.7 Å²	48.7	29%	0.289	26%	0.255	S	S	.	.			trans	-80.1	138.4	177.8	-72.3	-44.1	0	0	0	111	T390 A391 E400	N388-T390 VanDerWaalsContact C-N 3.31Å; N388-T390 PolarHBondContact O-N 3.11Å; N388-A391 HydrophobicContact CB-CB 4.29Å; N388-A391 WeakPolarHBondContact O-CB 3.46Å; N388-A391 PolarHBondContact O-N 2.79Å; N388-A391 VanDerWaalsContact O-N 3.07Å; N388-E400 PolarHBondContact ND2-OE2 3.3Å
389	K	79.7	Confident	87.8	Confident	147 Å²	147	46.2 Å²	46.2	64%	0.639	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-57.6	-43.8	-178.9	-175.2	-177.7	175.5	-173.8	0	112.1	P343 A391 L392	P343-K389 HydrophobicContact CB-CB 4.33Å; K389-A391 PolarHBondContact O-N 2.95Å; K389-L392 WeakPolarHBondContact O-CB 3.15Å; K389-L392 PolarHBondContact O-N 2.83Å; K389-L392 VanDerWaalsContact O-N 3.13Å
390	T	76.5	Confident	87.8	Confident	93 Å²	93	47.9 Å²	47.9	57%	0.571	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-66.6	-24.1	179	50.8	0	0	0	0	113.2	N388 L392 E393	N388-T390 VanDerWaalsContact C-N 3.31Å; N388-T390 PolarHBondContact O-N 3.11Å; T390-L392 VanDerWaalsContact C-N 3.29Å; T390-E393 PolarHBondContact O-N 3.4Å
391	A	76	Confident	87.7	Confident	8 Å²	8	48 Å²	48	7%	0.066	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-68	-33.6	174.2	0	0	0	0	0	111.2	N388 K389 E393 K394 P397 L398	N388-A391 HydrophobicContact CB-CB 4.29Å; N388-A391 WeakPolarHBondContact O-CB 3.46Å; N388-A391 PolarHBondContact O-N 2.79Å; N388-A391 VanDerWaalsContact O-N 3.07Å; K389-A391 PolarHBondContact O-N 2.95Å; A391-E393 PolarHBondContact O-N 2.85Å; A391-K394 PolarHBondContact O-N 3.29Å; A391-P397 VanDerWaalsContact O-CA 3.27Å; A391-P397 WeakPolarHBondContact O-CA 3.32Å; A391-P397 VanDerWaalsContact O-CB 3.31Å; A391-P397 WeakPolarHBondContact O-CB 3.48Å; A391-L398 WeakPolarHBondContact CB-O 3.31Å
392	L	76.6	Confident	87.7	Confident	51 Å²	51	48.5 Å²	48.5	27%	0.267	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-71.3	-14.7	179.9	-56.5	-180	0	0	0	113.4	P343 V351 V387 K389 T390	P343-L392 HydrophobicContact CG-CD1 4.47Å; V351-L392 HydrophobicContact CB-CD2 4.18Å; V351-L392 HydrophobicContact CG1-CD2 3.61Å; V387-L392 HydrophobicContact CG1-CD1 4.26Å; V387-L392 HydrophobicContact CG1-CD2 3.83Å; V387-L392 HydrophobicContact CG1-CG 4.19Å; K389-L392 WeakPolarHBondContact O-CB 3.15Å; K389-L392 PolarHBondContact O-N 2.83Å; K389-L392 VanDerWaalsContact O-N 3.13Å; T390-L392 VanDerWaalsContact C-N 3.29Å
393	E	80.2	Confident	87.7	Confident	142 Å²	142	48.8 Å²	48.8	66%	0.664	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-86.1	-10.7	177.5	-65.4	168.7	-176.8	0	0	112.2	T390 A391	T390-E393 PolarHBondContact O-N 3.4Å; A391-E393 PolarHBondContact O-N 2.85Å
394	K	81.8	Confident	87.7	Confident	121 Å²	121	48.9 Å²	48.9	53%	0.526	26%	0.259	S	S	.	.	S	Bend	trans	-89.8	148.8	180	-63.9	-175.9	179.7	-177.8	0	111.1	A391 V396	A391-K394 PolarHBondContact O-N 3.29Å; K394-V396 PolarHBondContact O-N 3.17Å
395	P	81.8	Confident	87.5	Confident	135 Å²	135	51.1 Å²	51.1	88%	0.877	27%	0.271	S	S	*	.	S	Bend	trans	-55.8	-35.6	176.2	-25.6	33.6	0	0	0	113.3
396	V	82.6	Confident	87.5	Confident	89 Å²	89	57 Å²	57	54%	0.539	30%	0.303	S	S	.	.	S	Bend	trans	-120.1	102.4	171.2	-176	0	0	0	0	108.1	K394 L398 N413	K394-V396 PolarHBondContact O-N 3.17Å; V396-L398 PolarHBondContact O-N 3.47Å; V396-N413 HydrophobicContact CG1-CB 3.63Å
397	P	84.9	Confident	87.4	Confident	39 Å²	39	63 Å²	63	25%	0.253	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-63.6	126.3	176.3	-24.6	35.2	0	0	0	111.5	A391	A391-P397 VanDerWaalsContact O-CA 3.27Å; A391-P397 WeakPolarHBondContact O-CA 3.32Å; A391-P397 VanDerWaalsContact O-CB 3.31Å; A391-P397 WeakPolarHBondContact O-CB 3.48Å
398	L	89.1	Confident	87.7	Confident	71 Å²	71	64.1 Å²	64.1	37%	0.372	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-94.2	120.6	168.9	-64.4	178.6	0	0	0	109.3	A391 V396 N413	A391-L398 WeakPolarHBondContact CB-O 3.31Å; V396-L398 PolarHBondContact O-N 3.47Å; L398-N413 HydrophobicContact CD2-CB 4.15Å
399	L	91.7	Very high	88.3	Confident	11 Å²	11	65.9 Å²	65.9	6%	0.058	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	141.6	177.7	-56	177.4	0	0	0	109.4	P353 V385 V387 H411 L412 L417	P353-L399 HydrophobicContact CB-CD1 4.38Å; P353-L399 HydrophobicContact CG-CD1 4.17Å; V385-L399 HydrophobicContact CG1-CB 4.22Å; V385-L399 HydrophobicContact CG1-CD1 4.08Å; V387-L399 HydrophobicContact CB-CD2 4.45Å; V387-L399 HydrophobicContact CG1-CD2 4.16Å; V387-L399 HydrophobicContact CG2-CD2 4.12Å; L399-H411 CarbonylContact O-C 3.51Å; L399-H411 WeakPolarHBondContact O-CA 3.38Å; L399-L412 PolarHBondContact N-O 3.05Å; L399-L412 PolarHBondContact O-N 3.19Å; L399-L417 HydrophobicContact CD1-CD2 3.56Å
400	E	94.5	Very high	89.1	Confident	37 Å²	37	62 Å²	62	17%	0.173	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.4	174.3	168	177.4	-169.9	0	0	108.9	V385 V386 N388 H402 L409	V385-E400 CarbonylContact C-O 3.49Å; V385-E400 WeakPolarHBondContact CA-O 3.27Å; V386-E400 HydrophobicContact CB-CB 4.02Å; V386-E400 HydrophobicContact CB-CG 4.19Å; V386-E400 HydrophobicContact CG2-CG 4.46Å; V386-E400 PolarHBondContact N-O 3.1Å; V386-E400 PolarHBondContact O-N 3.35Å; V386-E400 VanDerWaalsContact O-N 3.12Å; N388-E400 PolarHBondContact ND2-OE2 3.3Å; E400-H402 IonicContact OE1-CE1 3.55Å; E400-H402 PolarHBondContact OE1-CE1 3.01Å; E400-H402 IonicContact OE1-NE2 2.71Å; E400-H402 PolarHBondContact OE1-NE2 3.2Å; E400-L409 HydrophobicContact CG-CD1 3.57Å
401	L	95.6	Very high	89.9	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.5	176.6	176.1	66.7	0	0	0	109.4	F383 L384 V385 L409 L410 L412 L417 Y420	F383-L401 HydrophobicContact CB-CD1 4.03Å; F383-L401 HydrophobicContact CD1-CD1 4.42Å; L384-L401 CarbonylContact O-C 3.54Å; L384-L401 WeakPolarHBondContact O-CA 3.11Å; V385-L401 HydrophobicContact CG2-CD1 4.09Å; L401-L409 WeakPolarHBondContact O-CA 3.48Å; L401-L410 HydrophobicContact CB-CB 4.35Å; L401-L410 HydrophobicContact CD2-CD1 4.36Å; L401-L410 PolarHBondContact N-O 3.29Å; L401-L410 PolarHBondContact O-N 3.31Å; L401-L412 HydrophobicContact CB-CD1 4.38Å; L401-L412 HydrophobicContact CD2-CD1 3.64Å; L401-L417 HydrophobicContact CB-CD1 4.34Å; L401-L417 HydrophobicContact CD1-CD1 3.87Å; L401-L417 HydrophobicContact CD2-CD1 3.94Å; L401-L417 HydrophobicContact CG-CD1 4.27Å; L401-Y420 HydrophobicContact CD2-CD1 3.51Å; L401-Y420 HydrophobicContact CD2-CE1 3.74Å; L401-Y420 HydrophobicContact CD2-CG 3.96Å
402	H	97.4	Very high	90.7	Very high	12 Å²	12	63.7 Å²	63.7	6%	0.056	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.9	165.3	-58.6	-85.5	0	0	0	109.9	F383 L384 E400 V404 G408	F383-H402 VanDerWaalsContact CA-O 3.32Å; F383-H402 WeakPolarHBondContact CA-O 3.41Å; L384-H402 HydrophobicContact CB-CB 3.98Å; L384-H402 HydrophobicContact CD1-CB 4.3Å; L384-H402 HydrophobicContact CG-CB 4.17Å; L384-H402 PolarHBondContact N-O 3.5Å; L384-H402 PolarHBondContact O-N 3.26Å; E400-H402 IonicContact OE1-CE1 3.55Å; E400-H402 PolarHBondContact OE1-CE1 3.01Å; E400-H402 IonicContact OE1-NE2 2.71Å; E400-H402 PolarHBondContact OE1-NE2 3.2Å; H402-V404 HydrophobicContact CB-CG2 4.37Å; H402-G408 WeakPolarHBondContact CA-O 3.26Å
403	D	96.5	Very high	91.4	Very high	7 Å²	7	63 Å²	63	4%	0.037	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	98.8	161.7	-175.5	-28.9	0	0	0	107.6	F383 N405 N406 N407 G408 Y420	F383-D403 HydrophobicContact CD1-CB 4.38Å; F383-D403 HydrophobicContact CE1-CB 4.26Å; D403-N405 VanDerWaalsContact C-N 3.35Å; D403-N405 PolarHBondContact OD1-N 3.32Å; D403-N406 HydrophobicContact CB-CB 4.48Å; D403-N406 PolarHBondContact O-N 3.1Å; D403-N406 PolarHBondContact OD1-N 2.89Å; D403-N406 PolarHBondContact OD1-ND2 3.29Å; D403-N406 PolarHBondContact OD2-ND2 2.86Å; D403-N407 CarbonylContact O-C 3.59Å; D403-N407 WeakPolarHBondContact O-CA 3.25Å; D403-N407 PolarHBondContact O-N 3.38Å; D403-G408 PolarHBondContact N-O 3.08Å; D403-G408 PolarHBondContact O-N 2.84Å; D403-Y420 PolarHBondContact OD2-OH 3.13Å
404	V	96.6	Very high	91.7	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.024	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-38.9	-172	173.2	0	0	0	0	110.5	R328 K377 Y381 P382 L384 H402 N406 N407	R328-V404 PolarHBondContact NE-O 3.4Å; R328-V404 PolarHBondContact NH2-O 2.99Å; K377-V404 HydrophobicContact CG-CG2 4.31Å; Y381-V404 WeakPolarHBondContact O-CB 3.29Å; Y381-V404 WeakPolarHBondContact O-CG2 3.37Å; P382-V404 WeakPolarHBondContact O-CB 3.22Å; P382-V404 PolarHBondContact O-N 3.3Å; L384-V404 HydrophobicContact CD1-CG2 3.97Å; L384-V404 HydrophobicContact CD2-CG2 4.27Å; L384-V404 HydrophobicContact CG-CG2 3.69Å; H402-V404 HydrophobicContact CB-CG2 4.37Å; V404-N406 PolarHBondContact O-N 2.82Å; V404-N407 PolarHBondContact O-N 3.2Å
405	N	93.7	Very high	92	Very high	47 Å²	47	60.4 Å²	60.4	25%	0.251	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-37.2	-178.7	-76.1	-9.6	0	0	0	112.2	W329 D403	W329-N405 PolarHBondContact O-ND2 2.8Å; D403-N405 VanDerWaalsContact C-N 3.35Å; D403-N405 PolarHBondContact OD1-N 3.32Å
406	N	93.8	Very high	92.5	Very high	124 Å²	124	58.1 Å²	58.1	66%	0.663	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	4.4	-178.7	-61.7	-50	0	0	0	114.2	D403 V404 G408	D403-N406 HydrophobicContact CB-CB 4.48Å; D403-N406 PolarHBondContact O-N 3.1Å; D403-N406 PolarHBondContact OD1-N 2.89Å; D403-N406 PolarHBondContact OD1-ND2 3.29Å; D403-N406 PolarHBondContact OD2-ND2 2.86Å; V404-N406 PolarHBondContact O-N 2.82Å; N406-G408 PolarHBondContact O-N 3.11Å
407	N	93.5	Very high	92.9	Very high	127 Å²	127	53.9 Å²	53.9	68%	0.679	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	31.2	-171.1	-56.7	-47	0	0	0	113.5	R328 D403 V404	R328-N407 PolarHBondContact NH2-OD1 3.16Å; D403-N407 CarbonylContact O-C 3.59Å; D403-N407 WeakPolarHBondContact O-CA 3.25Å; D403-N407 PolarHBondContact O-N 3.38Å; V404-N407 PolarHBondContact O-N 3.2Å
408	G	95.1	Very high	93.1	Very high	26 Å²	26	54.8 Å²	54.8	27%	0.268	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	150.3	-178.2	0	0	0	0	0	112.7	H402 D403 N406	H402-G408 WeakPolarHBondContact CA-O 3.26Å; D403-G408 PolarHBondContact N-O 3.08Å; D403-G408 PolarHBondContact O-N 2.84Å; N406-G408 PolarHBondContact O-N 3.11Å
409	L	96.8	Very high	93.2	Very high	92 Å²	92	56 Å²	56	48%	0.482	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	120.1	172.8	179.7	59.7	0	0	0	109.5	E400 L401	E400-L409 HydrophobicContact CG-CD1 3.57Å; L401-L409 WeakPolarHBondContact O-CA 3.48Å
410	L	95.6	Very high	93.2	Very high	65 Å²	65	58.4 Å²	58.4	34%	0.34	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.4	-179.2	-60	172.8	0	0	0	110.3	L401 L412 Y420	L401-L410 HydrophobicContact CB-CB 4.35Å; L401-L410 HydrophobicContact CD2-CD1 4.36Å; L401-L410 PolarHBondContact N-O 3.29Å; L401-L410 PolarHBondContact O-N 3.31Å; L410-L412 HydrophobicContact CB-CD1 4.3Å; L410-L412 HydrophobicContact CB-CD2 4.19Å; L410-L412 HydrophobicContact CB-CG 4Å; L410-L412 HydrophobicContact CD1-CD1 4.38Å; L410-Y420 HydrophobicContact CD1-CD2 4Å; L410-Y420 HydrophobicContact CD1-CE2 3.56Å
411	H	94.4	Very high	93.1	Very high	112 Å²	112	57.5 Å²	57.5	52%	0.519	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	109.6	171.2	-67	81.6	0	0	0	107.8	L399	L399-H411 CarbonylContact O-C 3.51Å; L399-H411 WeakPolarHBondContact O-CA 3.38Å
412	L	93.1	Very high	92.7	Very high	24 Å²	24	61.4 Å²	61.4	13%	0.126	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.8	-169.3	-58	-180	0	0	0	110.2	L399 L401 L410 E416 L417 Y420	L399-L412 PolarHBondContact N-O 3.05Å; L399-L412 PolarHBondContact O-N 3.19Å; L401-L412 HydrophobicContact CB-CD1 4.38Å; L401-L412 HydrophobicContact CD2-CD1 3.64Å; L410-L412 HydrophobicContact CB-CD1 4.3Å; L410-L412 HydrophobicContact CB-CD2 4.19Å; L410-L412 HydrophobicContact CB-CG 4Å; L410-L412 HydrophobicContact CD1-CD1 4.38Å; L412-E416 WeakPolarHBondContact CA-OE2 3.4Å; L412-E416 HydrophobicContact CB-CB 3.93Å; L412-E416 HydrophobicContact CD2-CB 4.1Å; L412-E416 HydrophobicContact CG-CB 4.42Å; L412-L417 HydrophobicContact CB-CB 4.23Å; L412-Y420 HydrophobicContact CD1-CG 4.37Å
413	N	90.5	Very high	92.3	Very high	36 Å²	36	65.3 Å²	65.3	19%	0.193	36%	0.361	C	S	.	.			trans	-71.5	174.2	164.1	72.7	55.9	0	0	0	110.8	V396 L398 L415 E416 L417	V396-N413 HydrophobicContact CG1-CB 3.63Å; L398-N413 HydrophobicContact CD2-CB 4.15Å; N413-L415 VanDerWaalsContact C-N 3.33Å; N413-L415 PolarHBondContact O-N 3.46Å; N413-L415 WeakPolarHBondContact OD1-CB 3.41Å; N413-L415 PolarHBondContact OD1-N 2.71Å; N413-E416 VanDerWaalsContact CG-OE2 3.3Å; N413-E416 PolarHBondContact N-OE2 3.3Å; N413-E416 WeakPolarHBondContact ND2-CG 3.26Å; N413-E416 PolarHBondContact ND2-OE1 3.37Å; N413-E416 PolarHBondContact ND2-OE2 2.8Å; N413-E416 PolarHBondContact O-N 3.46Å; N413-E416 PolarHBondContact OD1-N 2.73Å; N413-E416 VanDerWaalsContact OD1-N 3.08Å; N413-L417 VanDerWaalsContact O-CB 3.32Å; N413-L417 WeakPolarHBondContact O-CB 3.4Å; N413-L417 PolarHBondContact O-N 2.88Å
414	H	86.8	Confident	91.8	Very high	91 Å²	91	68.6 Å²	68.6	42%	0.421	38%	0.381	S	S	.	.	H	α-helix	trans	-61.7	-36.2	-175.5	-175.9	44.4	0	0	0	114.2	P353 T418	P353-H414 WeakPolarHBondContact CB-ND1 3.41Å; H414-T418 WeakPolarHBondContact O-CB 3.39Å; H414-T418 PolarHBondContact O-N 3.42Å; H414-T418 VanDerWaalsContact O-N 3.11Å; H414-T418 PolarHBondContact O-OG1 3.34Å
415	L	88.1	Confident	91.5	Very high	119 Å²	119	71.9 Å²	71.9	62%	0.623	40%	0.399	S	S	*	.	H	α-helix	trans	-69.1	-52	179.2	-172.4	72.2	0	0	0	110	N413 L417 T418 D419	N413-L415 VanDerWaalsContact C-N 3.33Å; N413-L415 PolarHBondContact O-N 3.46Å; N413-L415 WeakPolarHBondContact OD1-CB 3.41Å; N413-L415 PolarHBondContact OD1-N 2.71Å; L415-L417 VanDerWaalsContact C-N 3.28Å; L415-L417 PolarHBondContact O-N 3.34Å; L415-T418 WeakPolarHBondContact O-CB 3.23Å; L415-T418 PolarHBondContact O-N 3.07Å; L415-D419 PolarHBondContact O-N 3.33Å
416	E	92.9	Very high	91.4	Very high	86 Å²	86	73.2 Å²	73.2	40%	0.402	41%	0.407	S	S	.	.	H	α-helix	trans	-57.8	-40.4	177.6	-68.1	167.8	159.2	0	0	112.2	L412 N413 T418 D419 Y420	L412-E416 WeakPolarHBondContact CA-OE2 3.4Å; L412-E416 HydrophobicContact CB-CB 3.93Å; L412-E416 HydrophobicContact CD2-CB 4.1Å; L412-E416 HydrophobicContact CG-CB 4.42Å; N413-E416 VanDerWaalsContact CG-OE2 3.3Å; N413-E416 PolarHBondContact N-OE2 3.3Å; N413-E416 WeakPolarHBondContact ND2-CG 3.26Å; N413-E416 PolarHBondContact ND2-OE1 3.37Å; N413-E416 PolarHBondContact ND2-OE2 2.8Å; N413-E416 PolarHBondContact O-N 3.46Å; N413-E416 PolarHBondContact OD1-N 2.73Å; N413-E416 VanDerWaalsContact OD1-N 3.08Å; E416-T418 VanDerWaalsContact C-N 3.35Å; E416-D419 PolarHBondContact O-N 2.99Å; E416-Y420 WeakPolarHBondContact O-CB 3.12Å; E416-Y420 PolarHBondContact O-N 2.81Å
417	L	91.1	Very high	91.3	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.005	39%	0.393	C	S	.	.	H	α-helix	trans	-62.3	-43.3	175.2	174.8	64	0	0	0	111.7	L355 V385 L399 L401 L412 N413 L415 Y420 L421	L355-L417 HydrophobicContact CD1-CD2 4.47Å; L355-L417 HydrophobicContact CD2-CD2 4.44Å; V385-L417 HydrophobicContact CG1-CD2 3.84Å; V385-L417 HydrophobicContact CG2-CD1 3.97Å; V385-L417 HydrophobicContact CG2-CD2 3.96Å; L399-L417 HydrophobicContact CD1-CD2 3.56Å; L401-L417 HydrophobicContact CB-CD1 4.34Å; L401-L417 HydrophobicContact CD1-CD1 3.87Å; L401-L417 HydrophobicContact CD2-CD1 3.94Å; L401-L417 HydrophobicContact CG-CD1 4.27Å; L412-L417 HydrophobicContact CB-CB 4.23Å; N413-L417 VanDerWaalsContact O-CB 3.32Å; N413-L417 WeakPolarHBondContact O-CB 3.4Å; N413-L417 PolarHBondContact O-N 2.88Å; L415-L417 VanDerWaalsContact C-N 3.28Å; L415-L417 PolarHBondContact O-N 3.34Å; L417-Y420 PolarHBondContact O-N 3.48Å; L417-L421 HydrophobicContact CD1-CD1 3.87Å; L417-L421 HydrophobicContact CD1-CG 4.09Å; L417-L421 HydrophobicContact CG-CD1 4.06Å; L417-L421 WeakPolarHBondContact O-CB 3.01Å; L417-L421 VanDerWaalsContact O-CG 3.3Å; L417-L421 WeakPolarHBondContact O-CG 3.08Å; L417-L421 PolarHBondContact O-N 3.38Å
418	T	89.2	Confident	91.1	Very high	57 Å²	57	67 Å²	67	35%	0.35	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-43.5	-179.7	-58.2	0	0	0	0	110.6	H414 L415 E416 L421 A422	H414-T418 WeakPolarHBondContact O-CB 3.39Å; H414-T418 PolarHBondContact O-N 3.42Å; H414-T418 VanDerWaalsContact O-N 3.11Å; H414-T418 PolarHBondContact O-OG1 3.34Å; L415-T418 WeakPolarHBondContact O-CB 3.23Å; L415-T418 PolarHBondContact O-N 3.07Å; E416-T418 VanDerWaalsContact C-N 3.35Å; T418-L421 PolarHBondContact O-N 3.44Å; T418-A422 WeakPolarHBondContact O-CB 3.4Å; T418-A422 PolarHBondContact O-N 3.1Å
419	D	91.2	Very high	90.9	Very high	97 Å²	97	69.6 Å²	69.6	52%	0.519	38%	0.383	S	S	.	.	H	α-helix	trans	-63.5	-44.7	177.1	-68	-18.8	0	0	0	111.4	L415 E416 L421 A422 S423	L415-D419 PolarHBondContact O-N 3.33Å; E416-D419 PolarHBondContact O-N 2.99Å; D419-L421 PolarHBondContact O-N 2.94Å; D419-A422 PolarHBondContact O-N 2.76Å; D419-S423 PolarHBondContact O-N 3.28Å; D419-S423 VanDerWaalsContact O-N 3.07Å
420	Y	91.9	Very high	90.5	Very high	61 Å²	61	68.1 Å²	68.1	24%	0.239	38%	0.376	C	S	.	.	H	α-helix	trans	-57.8	-51.5	175.8	-172.3	-83.7	0	0	0	111.2	F383 L401 D403 L410 L412 E416 L417 A422 S423 V424	F383-Y420 HydrophobicContact CD1-CE1 4.13Å; F383-Y420 AromaticContact CE1-CE1 3.72Å; F383-Y420 HydrophobicContact CE1-CE1 3.72Å; F383-Y420 HydrophobicContact CZ-CE1 4.48Å; L401-Y420 HydrophobicContact CD2-CD1 3.51Å; L401-Y420 HydrophobicContact CD2-CE1 3.74Å; L401-Y420 HydrophobicContact CD2-CG 3.96Å; D403-Y420 PolarHBondContact OD2-OH 3.13Å; L410-Y420 HydrophobicContact CD1-CD2 4Å; L410-Y420 HydrophobicContact CD1-CE2 3.56Å; L412-Y420 HydrophobicContact CD1-CG 4.37Å; E416-Y420 WeakPolarHBondContact O-CB 3.12Å; E416-Y420 PolarHBondContact O-N 2.81Å; L417-Y420 PolarHBondContact O-N 3.48Å; Y420-A422 VanDerWaalsContact C-N 3.26Å; Y420-A422 PolarHBondContact O-N 2.54Å; Y420-S423 PolarHBondContact O-N 3.22Å; Y420-S423 VanDerWaalsContact O-N 3.12Å; Y420-S423 PolarHBondContact O-OG 3.12Å; Y420-V424 HydrophobicContact CE1-CG1 4.27Å
421	L	90.6	Very high	90.1	Very high	18 Å²	18	68.3 Å²	68.3	9%	0.094	38%	0.379	C	S	.	.	H	α-helix	trans	-67.5	-24.6	-178.2	-70	175.9	0	0	0	113.7	K337 V338 L355 F383 L417 T418 D419	K337-L421 PolarHBondContact NZ-O 2.94Å; V338-L421 HydrophobicContact CG2-CD1 3.98Å; V338-L421 HydrophobicContact CG2-CD2 3.86Å; L355-L421 HydrophobicContact CD1-CD1 3.93Å; L355-L421 HydrophobicContact CD2-CD1 4.06Å; F383-L421 HydrophobicContact CB-CD2 3.89Å; F383-L421 HydrophobicContact CD1-CD2 4.28Å; F383-L421 HydrophobicContact CD2-CD2 3.75Å; F383-L421 HydrophobicContact CE2-CD2 4.41Å; F383-L421 HydrophobicContact CG-CD2 3.68Å; L417-L421 HydrophobicContact CD1-CD1 3.87Å; L417-L421 HydrophobicContact CD1-CG 4.09Å; L417-L421 HydrophobicContact CG-CD1 4.06Å; L417-L421 WeakPolarHBondContact O-CB 3.01Å; L417-L421 VanDerWaalsContact O-CG 3.3Å; L417-L421 WeakPolarHBondContact O-CG 3.08Å; L417-L421 PolarHBondContact O-N 3.38Å; T418-L421 PolarHBondContact O-N 3.44Å; D419-L421 PolarHBondContact O-N 2.94Å
422	A	88.2	Confident	89.8	Confident	84 Å²	84	64.9 Å²	64.9	69%	0.694	37%	0.368	S	S	*	.	H	α-helix	trans	-78.1	-25.9	174.1	0	0	0	0	0	112.8	T418 D419 Y420	T418-A422 WeakPolarHBondContact O-CB 3.4Å; T418-A422 PolarHBondContact O-N 3.1Å; D419-A422 PolarHBondContact O-N 2.76Å; Y420-A422 VanDerWaalsContact C-N 3.26Å; Y420-A422 PolarHBondContact O-N 2.54Å
423	S	88.4	Confident	89.5	Confident	94 Å²	94	68.3 Å²	68.3	66%	0.657	39%	0.388	S	S	*	.	H	α-helix	trans	-80.1	-14.9	-179.5	74.2	0	0	0	0	115	D419 Y420	D419-S423 PolarHBondContact O-N 3.28Å; D419-S423 VanDerWaalsContact O-N 3.07Å; Y420-S423 PolarHBondContact O-N 3.22Å; Y420-S423 VanDerWaalsContact O-N 3.12Å; Y420-S423 PolarHBondContact O-OG 3.12Å
424	V	85.3	Confident	89.4	Confident	76 Å²	76	71.3 Å²	71.3	46%	0.461	41%	0.406	S	S	.	.			trans	-111.1	0	-171.7	-61.7	0	0	0	0	115	I331 K337 F383 Y420	I331-V424 HydrophobicContact CD1-CB 4.5Å; K337-V424 PolarHBondContact NZ-O 3.28Å; F383-V424 HydrophobicContact CE1-CG2 4.34Å; F383-V424 HydrophobicContact CE2-CB 4.4Å; F383-V424 HydrophobicContact CE2-CG2 3.55Å; F383-V424 HydrophobicContact CZ-CB 3.96Å; F383-V424 HydrophobicContact CZ-CG1 4.32Å; F383-V424 HydrophobicContact CZ-CG2 3.44Å; F383-V424 VanDerWaalsContact CZ-CG2 3.44Å; Y420-V424 HydrophobicContact CE1-CG1 4.27Å

Retrieved 424 of 424 residues in 264 ms (Link to these results)

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