A0A077ZJB2_TRITR Loading...

DnaJ-like protein subfamily C member 13

AlphaFold DB , UniProt , Accession A0A077ZJB2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 483 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	36.5	Very low	39.4	Very low	242 Å²	242	140.9 Å²	140.9	100%	1.192	70%	0.699	S	S	*	*				0	108.7	0	-80.6	175.5	177.6	0	0	105.7	S3	M1-S3 PolarHBondContact O-N 2.97Å
2	E	30.2	Very low	39.7	Very low	176 Å²	176	137.8 Å²	137.8	82%	0.822	69%	0.687	S	S	*	*			trans	-55.2	121.8	176.9	-69.8	172.4	158.4	0	0	108.5	F4	E2-F4 VanDerWaalsContact C-N 3.31Å; E2-F4 PolarHBondContact O-N 3.5Å
3	S	38.5	Very low	39.5	Very low	120 Å²	120	142.7 Å²	142.7	84%	0.839	69%	0.693	S	S	*	*			trans	-61.6	96.9	172.1	51.4	0	0	0	0	107.7	M1 G5	M1-S3 PolarHBondContact O-N 2.97Å; S3-G5 VanDerWaalsContact C-N 3.34Å; S3-G5 PolarHBondContact O-N 3.29Å
4	F	38.3	Very low	39.6	Very low	182 Å²	182	138.8 Å²	138.8	80%	0.798	67%	0.674	S	S	*	*			trans	-62.3	94.2	178.3	-126.2	-98.1	0	0	0	109.3	E2 W6	E2-F4 VanDerWaalsContact C-N 3.31Å; E2-F4 PolarHBondContact O-N 3.5Å; F4-W6 VanDerWaalsContact C-N 3.32Å; F4-W6 PolarHBondContact O-N 3.21Å
5	G	38.5	Very low	40.1	Very low	27 Å²	27	136.7 Å²	136.7	28%	0.278	67%	0.673	S	S	.	*	S	Bend	trans	58.1	6.4	135.3	0	0	0	0	0	121.8	S3 E7 Q8 V9	S3-G5 VanDerWaalsContact C-N 3.34Å; S3-G5 PolarHBondContact O-N 3.29Å; G5-E7 VanDerWaalsContact C-N 3.29Å; G5-E7 PolarHBondContact O-N 3.31Å; G5-Q8 WeakPolarHBondContact O-CB 2.93Å; G5-Q8 PolarHBondContact O-N 3.43Å; G5-V9 PolarHBondContact O-N 3.27Å; G5-V9 VanDerWaalsContact O-N 3.16Å
6	W	33.6	Very low	40.3	Very low	205 Å²	205	139.8 Å²	139.8	78%	0.777	68%	0.682	S	S	*	*	H	α-helix	trans	-59.4	-38.3	179.2	-75.2	97.1	0	0	0	112.9	F4 Q8 W10	F4-W6 VanDerWaalsContact C-N 3.32Å; F4-W6 PolarHBondContact O-N 3.21Å; W6-Q8 VanDerWaalsContact C-N 3.27Å; W6-Q8 PolarHBondContact O-N 3.39Å; W6-W10 PolarHBondContact O-N 3.18Å
7	E	43.8	Very low	40.3	Very low	175 Å²	175	141 Å²	141	82%	0.818	69%	0.686	S	S	*	*	H	α-helix	trans	-64.3	-31.1	174.2	-74	-171.6	149	0	0	112.9	G5 G11	G5-E7 VanDerWaalsContact C-N 3.29Å; G5-E7 PolarHBondContact O-N 3.31Å; E7-G11 WeakPolarHBondContact O-CA 3.28Å; E7-G11 PolarHBondContact O-N 3.47Å
8	Q	46.5	Very low	40.4	Very low	141 Å²	141	138.2 Å²	138.2	66%	0.659	70%	0.7	S	S	*	*	H	α-helix	trans	-78.1	-37.8	-175.7	-148.2	171.4	16.9	0	0	111.6	G5 W6 N12	G5-Q8 WeakPolarHBondContact O-CB 2.93Å; G5-Q8 PolarHBondContact O-N 3.43Å; W6-Q8 VanDerWaalsContact C-N 3.27Å; W6-Q8 PolarHBondContact O-N 3.39Å; Q8-N12 WeakPolarHBondContact O-CB 3.44Å; Q8-N12 VanDerWaalsContact O-CG 3.23Å; Q8-N12 PolarHBondContact O-N 2.79Å; Q8-N12 PolarHBondContact O-ND2 2.87Å
9	V	45.9	Very low	40.3	Very low	95 Å²	95	136.3 Å²	136.3	58%	0.576	70%	0.699	S	S	*	*	H	α-helix	trans	-65.5	-44	175.7	177.8	0	0	0	0	110.7	G5 W13	G5-V9 PolarHBondContact O-N 3.27Å; G5-V9 VanDerWaalsContact O-N 3.16Å; V9-W13 PolarHBondContact O-N 2.74Å
10	W	36.2	Very low	40.8	Very low	153 Å²	153	139.6 Å²	139.6	58%	0.58	71%	0.711	S	S	*	*	H	α-helix	trans	-80.4	-35.3	-178.6	-77.8	87.1	0	0	0	113.6	W6 N12 W13 M14	W6-W10 PolarHBondContact O-N 3.18Å; W10-N12 VanDerWaalsContact C-N 3.28Å; W10-N12 PolarHBondContact O-N 2.98Å; W10-W13 WeakPolarHBondContact O-CB 3.33Å; W10-W13 PolarHBondContact O-N 3.18Å; W10-W13 VanDerWaalsContact O-N 3.13Å; W10-M14 PolarHBondContact O-N 3.09Å
11	G	45.5	Very low	41.1	Very low	34 Å²	34	136.2 Å²	136.2	35%	0.351	70%	0.695	S	S	.	*	H	α-helix	trans	-60.9	-37.2	173.9	0	0	0	0	0	112.7	E7 W13 M14 T15	E7-G11 WeakPolarHBondContact O-CA 3.28Å; E7-G11 PolarHBondContact O-N 3.47Å; G11-W13 VanDerWaalsContact C-N 3.33Å; G11-M14 PolarHBondContact O-N 3.35Å; G11-T15 PolarHBondContact O-N 3.34Å; G11-T15 PolarHBondContact O-OG1 3.3Å
12	N	43.2	Very low	42	Very low	103 Å²	103	127.1 Å²	127.1	55%	0.551	66%	0.663	S	S	*	*	H	α-helix	trans	-70.4	-27.3	175.1	-76.4	-17.7	0	0	0	113.3	Q8 W10 T15	Q8-N12 WeakPolarHBondContact O-CB 3.44Å; Q8-N12 VanDerWaalsContact O-CG 3.23Å; Q8-N12 PolarHBondContact O-N 2.79Å; Q8-N12 PolarHBondContact O-ND2 2.87Å; W10-N12 VanDerWaalsContact C-N 3.28Å; W10-N12 PolarHBondContact O-N 2.98Å; N12-T15 PolarHBondContact O-OG1 3.34Å
13	W	36.9	Very low	43.6	Very low	202 Å²	202	122.3 Å²	122.3	77%	0.765	65%	0.654	S	S	*	*	H	α-helix	trans	-74	-41.9	173.9	-122.6	64.7	0	0	0	111.3	V9 W10 G11 T15	V9-W13 PolarHBondContact O-N 2.74Å; W10-W13 WeakPolarHBondContact O-CB 3.33Å; W10-W13 PolarHBondContact O-N 3.18Å; W10-W13 VanDerWaalsContact O-N 3.13Å; G11-W13 VanDerWaalsContact C-N 3.33Å; W13-T15 PolarHBondContact O-N 3.07Å
14	M	40.3	Very low	44.5	Very low	88 Å²	88	122.7 Å²	122.7	43%	0.433	64%	0.64	S	S	.	*	H	α-helix	trans	-78.4	-14.8	-176.6	-68.1	-136.7	-77.3	0	0	115	W10 G11	W10-M14 PolarHBondContact O-N 3.09Å; G11-M14 PolarHBondContact O-N 3.35Å
15	T	47.7	Very low	45.3	Very low	108 Å²	108	115.4 Å²	115.4	66%	0.663	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-15.1	176.6	40.7	0	0	0	0	113.3	G11 N12 W13	G11-T15 PolarHBondContact O-N 3.34Å; G11-T15 PolarHBondContact O-OG1 3.3Å; N12-T15 PolarHBondContact O-OG1 3.34Å; W13-T15 PolarHBondContact O-N 3.07Å
16	K	43.3	Very low	46.6	Very low	185 Å²	185	120 Å²	120	80%	0.804	63%	0.628	S	S	*	*	S	Bend	trans	-83.6	-14.3	-174	-95.3	-172.9	173.3	-176.3	0	115
17	E	39.9	Very low	48	Very low	161 Å²	161	115.2 Å²	115.2	75%	0.752	61%	0.614	S	S	*	*	S	Bend	trans	-124.7	109.1	176.1	-66.4	-165.7	162.9	0	0	109.2	C19	E17-C19 PolarHBondContact O-N 2.89Å
18	G	42	Very low	48.5	Very low	91 Å²	91	112.1 Å²	112.1	94%	0.938	60%	0.601	S	S	*	*			trans	-55.2	109.1	171.7	0	0	0	0	0	109
19	C	39.2	Very low	49	Very low	102 Å²	102	112.9 Å²	112.9	69%	0.689	60%	0.598	S	S	*	*			trans	-136	119.1	176.3	-150.2	0	0	0	0	108.6	E17 D21	E17-C19 PolarHBondContact O-N 2.89Å; C19-D21 PolarHBondContact O-N 3.37Å
20	E	49.8	Very low	49.9	Very low	201 Å²	201	114.1 Å²	114.1	94%	0.939	60%	0.596	S	S	*	*	S	Bend	trans	-62.5	8.1	-179.6	-71	178.3	134	0	0	114.7	G22	E20-G22 PolarHBondContact O-N 2.86Å
21	D	48.3	Very low	51.1	Low	70 Å²	70	110.1 Å²	110.1	37%	0.374	59%	0.59	S	S	.	*			trans	-96.8	58.7	-178.6	-82.6	-26.2	0	0	0	112.3	C19 A23 K24 A25	C19-D21 PolarHBondContact O-N 3.37Å; D21-A23 PolarHBondContact O-N 3.16Å; D21-A23 VanDerWaalsContact O-N 3.11Å; D21-K24 HydrophobicContact CB-CB 4Å; D21-K24 HydrophobicContact CB-CD 3.99Å; D21-K24 HydrophobicContact CB-CG 4.04Å; D21-K24 PolarHBondContact O-N 3.44Å; D21-K24 WeakPolarHBondContact OD2-CD 3.14Å; D21-K24 VanDerWaalsContact OD2-CE 3.29Å; D21-K24 WeakPolarHBondContact OD2-CE 3.3Å; D21-K24 IonicContact OD2-NZ 3.45Å; D21-K24 PolarHBondContact OD2-NZ 3.04Å; D21-A25 PolarHBondContact O-N 3.35Å; D21-A25 VanDerWaalsContact O-N 3.08Å
22	G	54.3	Low	51.4	Low	51 Å²	51	112.8 Å²	112.8	53%	0.526	60%	0.596	S	S	.	*	H	α-helix	trans	-53.3	-30.6	172	0	0	0	0	0	113	E20 Q26	E20-G22 PolarHBondContact O-N 2.86Å; G22-Q26 WeakPolarHBondContact O-CB 3.26Å; G22-Q26 PolarHBondContact O-N 2.95Å
23	A	65	Low	51.9	Low	75 Å²	75	116.9 Å²	116.9	62%	0.62	60%	0.604	S	S	*	*	H	α-helix	trans	-68.2	-42.9	174.4	0	0	0	0	0	113.1	D21 Q26 E27	D21-A23 PolarHBondContact O-N 3.16Å; D21-A23 VanDerWaalsContact O-N 3.11Å; A23-Q26 PolarHBondContact O-N 2.93Å; A23-E27 PolarHBondContact O-N 3.38Å
24	K	55.7	Low	53.1	Low	127 Å²	127	113.8 Å²	113.8	55%	0.552	60%	0.596	S	S	*	*	H	α-helix	trans	-68.5	-38.6	176.9	-69.8	-177.2	-175.8	150.1	0	111.7	D21 Q26 E27 M28	D21-K24 HydrophobicContact CB-CB 4Å; D21-K24 HydrophobicContact CB-CD 3.99Å; D21-K24 HydrophobicContact CB-CG 4.04Å; D21-K24 PolarHBondContact O-N 3.44Å; D21-K24 WeakPolarHBondContact OD2-CD 3.14Å; D21-K24 VanDerWaalsContact OD2-CE 3.29Å; D21-K24 WeakPolarHBondContact OD2-CE 3.3Å; D21-K24 IonicContact OD2-NZ 3.45Å; D21-K24 PolarHBondContact OD2-NZ 3.04Å; K24-Q26 VanDerWaalsContact C-N 3.3Å; K24-Q26 PolarHBondContact O-N 3.41Å; K24-E27 PolarHBondContact O-N 2.93Å; K24-M28 PolarHBondContact O-N 3.02Å
25	A	56.5	Low	53.8	Low	30 Å²	30	115 Å²	115	25%	0.248	60%	0.601	C	S	.	*	H	α-helix	trans	-62.6	-39.2	175.2	0	0	0	0	0	111.5	D21 R29	D21-A25 PolarHBondContact O-N 3.35Å; D21-A25 VanDerWaalsContact O-N 3.08Å; A25-R29 WeakPolarHBondContact O-CB 3.32Å; A25-R29 VanDerWaalsContact O-CG 3.26Å; A25-R29 WeakPolarHBondContact O-CG 3.3Å; A25-R29 PolarHBondContact O-N 2.71Å
26	Q	64.7	Low	53.9	Low	122 Å²	122	115.8 Å²	115.8	57%	0.57	60%	0.598	S	S	*	*	H	α-helix	trans	-68.3	-39.2	176.6	-168.5	172.3	-0.4	0	0	112.4	G22 A23 K24 R29 K30	G22-Q26 WeakPolarHBondContact O-CB 3.26Å; G22-Q26 PolarHBondContact O-N 2.95Å; A23-Q26 PolarHBondContact O-N 2.93Å; K24-Q26 VanDerWaalsContact C-N 3.3Å; K24-Q26 PolarHBondContact O-N 3.41Å; Q26-R29 PolarHBondContact O-N 2.58Å; Q26-K30 PolarHBondContact O-N 2.9Å
27	E	63.8	Low	54.4	Low	106 Å²	106	110.9 Å²	110.9	50%	0.495	58%	0.584	S	S	.	*	H	α-helix	trans	-69.3	-41.4	177.1	-163	59.6	-157.7	0	0	112	A23 K24 R29 K30 C31	A23-E27 PolarHBondContact O-N 3.38Å; K24-E27 PolarHBondContact O-N 2.93Å; E27-R29 VanDerWaalsContact C-N 3.33Å; E27-R29 PolarHBondContact O-N 3.4Å; E27-K30 WeakPolarHBondContact O-CB 3.27Å; E27-K30 PolarHBondContact O-N 3.45Å; E27-K30 VanDerWaalsContact O-N 3.1Å; E27-K30 IonicContact OE2-NZ 3.75Å; E27-C31 PolarHBondContact O-N 2.88Å
28	M	54.9	Low	55.1	Low	110 Å²	110	108 Å²	108	54%	0.542	57%	0.57	S	S	.	*	H	α-helix	trans	-60.9	-40.5	171.7	-91.1	-172.3	-87.1	0	0	112.2	K24 K30 C31 L32	K24-M28 PolarHBondContact O-N 3.02Å; M28-K30 VanDerWaalsContact C-N 3.28Å; M28-K30 PolarHBondContact O-N 2.94Å; M28-C31 PolarHBondContact O-N 3.34Å; M28-L32 WeakPolarHBondContact O-CB 3.49Å; M28-L32 WeakPolarHBondContact O-CG 3.49Å; M28-L32 PolarHBondContact O-N 3.41Å
29	R	57.1	Low	55.5	Low	157 Å²	157	108.5 Å²	108.5	59%	0.592	55%	0.548	S	S	*	.	H	α-helix	trans	-62.2	-34.3	173.9	-76.1	174	-177.1	-172.7	2.5	112.3	A25 Q26 E27 R33	A25-R29 WeakPolarHBondContact O-CB 3.32Å; A25-R29 VanDerWaalsContact O-CG 3.26Å; A25-R29 WeakPolarHBondContact O-CG 3.3Å; A25-R29 PolarHBondContact O-N 2.71Å; Q26-R29 PolarHBondContact O-N 2.58Å; E27-R29 VanDerWaalsContact C-N 3.33Å; E27-R29 PolarHBondContact O-N 3.4Å; R29-R33 WeakPolarHBondContact O-CB 3.43Å; R29-R33 WeakPolarHBondContact O-CG 3.19Å; R29-R33 PolarHBondContact O-N 2.78Å
30	K	64.8	Low	55.7	Low	120 Å²	120	105.7 Å²	105.7	52%	0.522	53%	0.532	S	S	.	.	H	α-helix	trans	-69.7	-46	174.1	-76.6	-179.8	-175.2	168.5	0	111.8	Q26 E27 M28 R33 K34	Q26-K30 PolarHBondContact O-N 2.9Å; E27-K30 WeakPolarHBondContact O-CB 3.27Å; E27-K30 PolarHBondContact O-N 3.45Å; E27-K30 VanDerWaalsContact O-N 3.1Å; E27-K30 IonicContact OE2-NZ 3.75Å; M28-K30 VanDerWaalsContact C-N 3.28Å; M28-K30 PolarHBondContact O-N 2.94Å; K30-R33 PolarHBondContact O-N 2.98Å; K30-K34 WeakPolarHBondContact O-CB 3.4Å; K30-K34 PolarHBondContact O-N 3.24Å
31	C	60.3	Low	55.4	Low	70 Å²	70	100.3 Å²	100.3	47%	0.473	51%	0.51	S	S	.	.	H	α-helix	trans	-58.7	-48.5	174.6	-89.4	0	0	0	0	111.5	E27 M28 R33 K34 E35	E27-C31 PolarHBondContact O-N 2.88Å; M28-C31 PolarHBondContact O-N 3.34Å; C31-R33 PolarHBondContact O-N 3.25Å; C31-K34 WeakPolarHBondContact O-CB 3.33Å; C31-K34 PolarHBondContact O-N 2.96Å; C31-K34 VanDerWaalsContact O-N 3.08Å; C31-E35 PolarHBondContact O-N 3.34Å
32	L	51.5	Low	55.5	Low	90 Å²	90	100.8 Å²	100.8	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-62.2	-41.5	177.6	-76.2	165.2	0	0	0	112.1	M28 K34 E35 M36	M28-L32 WeakPolarHBondContact O-CB 3.49Å; M28-L32 WeakPolarHBondContact O-CG 3.49Å; M28-L32 PolarHBondContact O-N 3.41Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.21Å; L32-E35 PolarHBondContact O-N 2.82Å; L32-M36 VanDerWaalsContact O-CB 3.26Å; L32-M36 WeakPolarHBondContact O-CB 3.49Å; L32-M36 WeakPolarHBondContact O-CG 3.47Å; L32-M36 PolarHBondContact O-N 3.34Å
33	R	54.6	Low	55	Low	189 Å²	189	106.2 Å²	106.2	71%	0.713	52%	0.519	S	S	*	.	H	α-helix	trans	-62.5	-38.9	173.2	-82.5	-175	-167.7	-168.3	3.1	111.9	R29 K30 C31 M36 V37	R29-R33 WeakPolarHBondContact O-CB 3.43Å; R29-R33 WeakPolarHBondContact O-CG 3.19Å; R29-R33 PolarHBondContact O-N 2.78Å; K30-R33 PolarHBondContact O-N 2.98Å; C31-R33 PolarHBondContact O-N 3.25Å; R33-M36 PolarHBondContact O-N 3.47Å; R33-V37 WeakPolarHBondContact O-CB 3.4Å; R33-V37 WeakPolarHBondContact O-CG2 3.35Å; R33-V37 PolarHBondContact O-N 2.71Å
34	K	61.4	Low	53.7	Low	136 Å²	136	107.5 Å²	107.5	59%	0.591	52%	0.516	S	S	*	.	H	α-helix	trans	-66.3	-46.4	177.9	-165	-175.2	177.2	-163.1	0	110.8	K30 C31 L32 M36 V37 E38	K30-K34 WeakPolarHBondContact O-CB 3.4Å; K30-K34 PolarHBondContact O-N 3.24Å; C31-K34 WeakPolarHBondContact O-CB 3.33Å; C31-K34 PolarHBondContact O-N 2.96Å; C31-K34 VanDerWaalsContact O-N 3.08Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.21Å; K34-M36 PolarHBondContact O-N 3.03Å; K34-V37 PolarHBondContact O-N 3.34Å; K34-E38 VanDerWaalsContact CE-OE1 3.26Å; K34-E38 WeakPolarHBondContact CE-OE1 3.21Å; K34-E38 IonicContact NZ-OE1 3.95Å; K34-E38 WeakPolarHBondContact O-CB 3.35Å; K34-E38 WeakPolarHBondContact O-CG 3.37Å; K34-E38 PolarHBondContact O-N 3.48Å
35	E	56.2	Low	53.2	Low	115 Å²	115	108.1 Å²	108.1	54%	0.537	52%	0.521	S	S	.	.	H	α-helix	trans	-62.4	-39.6	173.8	-74.3	179.6	170.4	0	0	112	C31 L32 E38 E39	C31-E35 PolarHBondContact O-N 3.34Å; L32-E35 PolarHBondContact O-N 2.82Å; E35-E38 CarbonylContact O-C 3.6Å; E35-E38 PolarHBondContact O-N 3.21Å; E35-E39 VanDerWaalsContact O-CB 3.31Å; E35-E39 WeakPolarHBondContact O-CB 2.98Å; E35-E39 WeakPolarHBondContact O-CG 3.28Å; E35-E39 PolarHBondContact O-N 3Å
36	M	49	Very low	52.7	Low	123 Å²	123	109.7 Å²	109.7	61%	0.606	53%	0.529	S	S	*	.	H	α-helix	trans	-69.5	-35.9	176.2	-74.4	-178.7	78	0	0	112.6	L32 R33 K34 A40	L32-M36 VanDerWaalsContact O-CB 3.26Å; L32-M36 WeakPolarHBondContact O-CB 3.49Å; L32-M36 WeakPolarHBondContact O-CG 3.47Å; L32-M36 PolarHBondContact O-N 3.34Å; R33-M36 PolarHBondContact O-N 3.47Å; K34-M36 PolarHBondContact O-N 3.03Å; M36-A40 WeakPolarHBondContact O-CB 3.27Å; M36-A40 PolarHBondContact O-N 3.46Å
37	V	54.7	Low	51.8	Low	83 Å²	83	110.7 Å²	110.7	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-72.1	-37.8	173.7	169.8	0	0	0	0	110.4	R33 K34 A40 N41	R33-V37 WeakPolarHBondContact O-CB 3.4Å; R33-V37 WeakPolarHBondContact O-CG2 3.35Å; R33-V37 PolarHBondContact O-N 2.71Å; K34-V37 PolarHBondContact O-N 3.34Å; V37-A40 PolarHBondContact O-N 3Å; V37-N41 VanDerWaalsContact O-CB 3.24Å; V37-N41 WeakPolarHBondContact O-CB 3.41Å; V37-N41 PolarHBondContact O-N 3.31Å; V37-N41 PolarHBondContact O-ND2 3.36Å
38	E	53.8	Low	50.8	Low	100 Å²	100	111.7 Å²	111.7	47%	0.467	54%	0.538	S	S	.	.	H	α-helix	trans	-65	-43.3	171.5	-76.6	174.2	-170	0	0	110.6	K34 E35 N41 V42	K34-E38 VanDerWaalsContact CE-OE1 3.26Å; K34-E38 WeakPolarHBondContact CE-OE1 3.21Å; K34-E38 IonicContact NZ-OE1 3.95Å; K34-E38 WeakPolarHBondContact O-CB 3.35Å; K34-E38 WeakPolarHBondContact O-CG 3.37Å; K34-E38 PolarHBondContact O-N 3.48Å; E35-E38 CarbonylContact O-C 3.6Å; E35-E38 PolarHBondContact O-N 3.21Å; E38-N41 PolarHBondContact O-N 3.49Å; E38-V42 VanDerWaalsContact O-CB 3.24Å; E38-V42 WeakPolarHBondContact O-CB 3.07Å; E38-V42 WeakPolarHBondContact O-CG2 3.26Å; E38-V42 PolarHBondContact O-N 2.85Å
39	E	49.6	Very low	50.6	Low	102 Å²	102	113.2 Å²	113.2	48%	0.477	54%	0.539	S	S	.	.	H	α-helix	trans	-63.1	-40.8	171.4	-86.5	-163.7	-169.4	0	0	112	E35 V42 R43	E35-E39 VanDerWaalsContact O-CB 3.31Å; E35-E39 WeakPolarHBondContact O-CB 2.98Å; E35-E39 WeakPolarHBondContact O-CG 3.28Å; E35-E39 PolarHBondContact O-N 3Å; E39-V42 CarbonylContact O-C 3.57Å; E39-V42 PolarHBondContact O-N 3.5Å; E39-R43 WeakPolarHBondContact O-CB 3.35Å; E39-R43 WeakPolarHBondContact O-CG 3.4Å; E39-R43 PolarHBondContact O-N 2.84Å; E39-R43 IonicContact OE2-CZ 2.62Å; E39-R43 IonicContact OE2-NE 3.86Å; E39-R43 IonicContact OE2-NH2 2.8Å; E39-R43 PolarHBondContact OE2-NH2 3.37Å
40	A	43.6	Very low	50.4	Low	42 Å²	42	109.1 Å²	109.1	35%	0.347	53%	0.528	S	S	.	.	H	α-helix	trans	-67	-42.6	177.3	0	0	0	0	0	110.8	M36 V37 R43 D44	M36-A40 WeakPolarHBondContact O-CB 3.27Å; M36-A40 PolarHBondContact O-N 3.46Å; V37-A40 PolarHBondContact O-N 3Å; A40-R43 CarbonylContact O-C 3.53Å; A40-R43 WeakPolarHBondContact O-CB 3.47Å; A40-R43 PolarHBondContact O-N 3.13Å; A40-D44 WeakPolarHBondContact O-CB 3.46Å; A40-D44 PolarHBondContact O-N 3.16Å
41	N	43.6	Very low	50.1	Low	89 Å²	89	106.4 Å²	106.4	48%	0.476	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-39.1	173.9	-75.9	-24.3	0	0	0	111.7	V37 E38 R43 D44 Q45	V37-N41 VanDerWaalsContact O-CB 3.24Å; V37-N41 WeakPolarHBondContact O-CB 3.41Å; V37-N41 PolarHBondContact O-N 3.31Å; V37-N41 PolarHBondContact O-ND2 3.36Å; E38-N41 PolarHBondContact O-N 3.49Å; N41-R43 VanDerWaalsContact C-N 3.33Å; N41-D44 PolarHBondContact O-N 3.36Å; N41-Q45 WeakPolarHBondContact O-CB 3.3Å; N41-Q45 VanDerWaalsContact O-CG 3.31Å; N41-Q45 WeakPolarHBondContact O-CG 3.41Å; N41-Q45 PolarHBondContact O-N 3.1Å
42	V	51.1	Low	50.5	Low	80 Å²	80	107.4 Å²	107.4	49%	0.485	53%	0.531	S	S	.	.	H	α-helix	trans	-67.8	-35.6	172.9	169.2	0	0	0	0	109.8	E38 E39 C46	E38-V42 VanDerWaalsContact O-CB 3.24Å; E38-V42 WeakPolarHBondContact O-CB 3.07Å; E38-V42 WeakPolarHBondContact O-CG2 3.26Å; E38-V42 PolarHBondContact O-N 2.85Å; E39-V42 CarbonylContact O-C 3.57Å; E39-V42 PolarHBondContact O-N 3.5Å; V42-C46 WeakPolarHBondContact O-CA 3.23Å; V42-C46 WeakPolarHBondContact O-CB 3.3Å; V42-C46 PolarHBondContact O-N 2.85Å; V42-C46 PolarHBondContact O-SG 3.27Å
43	R	43.2	Very low	52.2	Low	164 Å²	164	103.6 Å²	103.6	62%	0.619	51%	0.511	S	S	*	.	H	α-helix	trans	-70.1	-41.1	174	-78.9	175.1	-163.4	-173.3	10.4	111.3	E39 A40 N41 C46 F47	E39-R43 WeakPolarHBondContact O-CB 3.35Å; E39-R43 WeakPolarHBondContact O-CG 3.4Å; E39-R43 PolarHBondContact O-N 2.84Å; E39-R43 IonicContact OE2-CZ 2.62Å; E39-R43 IonicContact OE2-NE 3.86Å; E39-R43 IonicContact OE2-NH2 2.8Å; E39-R43 PolarHBondContact OE2-NH2 3.37Å; A40-R43 CarbonylContact O-C 3.53Å; A40-R43 WeakPolarHBondContact O-CB 3.47Å; A40-R43 PolarHBondContact O-N 3.13Å; N41-R43 VanDerWaalsContact C-N 3.33Å; R43-C46 CarbonylContact O-C 3.57Å; R43-C46 PolarHBondContact O-N 3.43Å; R43-F47 WeakPolarHBondContact O-CA 3.36Å; R43-F47 WeakPolarHBondContact O-CB 3.34Å; R43-F47 PolarHBondContact O-N 3.45Å
44	D	38.5	Very low	54.1	Low	103 Å²	103	98.1 Å²	98.1	55%	0.551	49%	0.493	S	S	*	.	H	α-helix	trans	-70.3	-41.4	177.4	-75	-17.8	0	0	0	110.7	A40 N41 F47 M48	A40-D44 WeakPolarHBondContact O-CB 3.46Å; A40-D44 PolarHBondContact O-N 3.16Å; N41-D44 PolarHBondContact O-N 3.36Å; D44-F47 PolarHBondContact O-N 3.2Å; D44-M48 WeakPolarHBondContact O-CB 3.45Å; D44-M48 VanDerWaalsContact O-CG 3.23Å; D44-M48 WeakPolarHBondContact O-CG 3.31Å; D44-M48 PolarHBondContact O-N 2.88Å
45	Q	44.1	Very low	55.7	Low	140 Å²	140	92.8 Å²	92.8	65%	0.654	47%	0.469	S	S	*	.	H	α-helix	trans	-65.7	-43.8	170.7	-78.2	-178.3	-9.3	0	0	111.7	N41 F47 Y49	N41-Q45 WeakPolarHBondContact O-CB 3.3Å; N41-Q45 VanDerWaalsContact O-CG 3.31Å; N41-Q45 WeakPolarHBondContact O-CG 3.41Å; N41-Q45 PolarHBondContact O-N 3.1Å; Q45-F47 VanDerWaalsContact C-N 3.3Å; Q45-F47 PolarHBondContact O-N 3.37Å; Q45-Y49 WeakPolarHBondContact O-CB 3.5Å; Q45-Y49 PolarHBondContact O-N 3.24Å
46	C	45.7	Very low	57.6	Low	62 Å²	62	90.9 Å²	90.9	42%	0.419	47%	0.473	S	S	.	.	H	α-helix	trans	-62.3	-39.2	172.7	-76.5	0	0	0	0	110.7	V42 R43 Y49 L50	V42-C46 WeakPolarHBondContact O-CA 3.23Å; V42-C46 WeakPolarHBondContact O-CB 3.3Å; V42-C46 PolarHBondContact O-N 2.85Å; V42-C46 PolarHBondContact O-SG 3.27Å; R43-C46 CarbonylContact O-C 3.57Å; R43-C46 PolarHBondContact O-N 3.43Å; C46-Y49 PolarHBondContact O-N 2.81Å; C46-L50 WeakPolarHBondContact O-CB 3.44Å; C46-L50 VanDerWaalsContact O-CD1 3.3Å; C46-L50 WeakPolarHBondContact O-CD1 3.29Å; C46-L50 WeakPolarHBondContact O-CG 3.34Å; C46-L50 PolarHBondContact O-N 3.06Å
47	F	46.7	Very low	59.9	Low	143 Å²	143	85.4 Å²	85.4	63%	0.627	45%	0.447	S	S	*	.	H	α-helix	trans	-70.4	-42.9	-178.8	-170.8	-93.6	0	0	0	110.8	R43 D44 Q45 L50 S51	R43-F47 WeakPolarHBondContact O-CA 3.36Å; R43-F47 WeakPolarHBondContact O-CB 3.34Å; R43-F47 PolarHBondContact O-N 3.45Å; D44-F47 PolarHBondContact O-N 3.2Å; Q45-F47 VanDerWaalsContact C-N 3.3Å; Q45-F47 PolarHBondContact O-N 3.37Å; F47-L50 PolarHBondContact O-N 3.12Å; F47-S51 WeakPolarHBondContact O-CB 3.32Å; F47-S51 PolarHBondContact O-N 3.22Å
48	M	42.5	Very low	62	Low	127 Å²	127	83.6 Å²	83.6	63%	0.626	44%	0.438	S	S	*	.	H	α-helix	trans	-61.3	-45.9	170.5	-72.2	-66.5	179	0	0	111	D44 L50 S51 C52	D44-M48 WeakPolarHBondContact O-CB 3.45Å; D44-M48 VanDerWaalsContact O-CG 3.23Å; D44-M48 WeakPolarHBondContact O-CG 3.31Å; D44-M48 PolarHBondContact O-N 2.88Å; M48-L50 PolarHBondContact O-N 3.48Å; M48-S51 WeakPolarHBondContact O-CB 3.19Å; M48-S51 PolarHBondContact O-N 3.05Å; M48-S51 PolarHBondContact O-OG 3Å; M48-C52 PolarHBondContact O-N 2.89Å
49	Y	49.7	Very low	64	Low	142 Å²	142	79.3 Å²	79.3	56%	0.557	42%	0.417	S	S	*	.	H	α-helix	trans	-61.9	-42.2	175.6	-170.5	-102	0	0	0	112.4	Q45 C46 S51 C52 L53	Q45-Y49 WeakPolarHBondContact O-CB 3.5Å; Q45-Y49 PolarHBondContact O-N 3.24Å; C46-Y49 PolarHBondContact O-N 2.81Å; Y49-S51 VanDerWaalsContact C-N 3.3Å; Y49-S51 PolarHBondContact O-N 2.71Å; Y49-C52 PolarHBondContact O-N 3.4Å; Y49-L53 HydrophobicContact CD1-CD1 3.85Å; Y49-L53 HydrophobicContact CE1-CD1 3.46Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.46Å; Y49-L53 WeakPolarHBondContact O-CG 3.06Å; Y49-L53 PolarHBondContact O-N 3.3Å
50	L	54.6	Low	66.3	Low	71 Å²	71	76.6 Å²	76.6	37%	0.372	40%	0.403	S	S	.	.	H	α-helix	trans	-65.6	-33	175.4	-76.6	162.6	0	0	0	111.8	C46 F47 M48 L53 L72	C46-L50 WeakPolarHBondContact O-CB 3.44Å; C46-L50 VanDerWaalsContact O-CD1 3.3Å; C46-L50 WeakPolarHBondContact O-CD1 3.29Å; C46-L50 WeakPolarHBondContact O-CG 3.34Å; C46-L50 PolarHBondContact O-N 3.06Å; F47-L50 PolarHBondContact O-N 3.12Å; M48-L50 PolarHBondContact O-N 3.48Å; L50-L53 PolarHBondContact O-N 3.02Å; L50-L72 HydrophobicContact CD2-CD1 4.24Å; L50-L72 HydrophobicContact CD2-CD2 4.3Å; L50-L72 WeakPolarHBondContact O-CD1 3.42Å
51	S	58.4	Low	68.6	Low	63 Å²	63	78 Å²	78	44%	0.441	40%	0.402	S	S	.	.	H	α-helix	trans	-66.8	-37.3	177.4	80.5	0	0	0	0	112.2	F47 M48 Y49 L53 K54	F47-S51 WeakPolarHBondContact O-CB 3.32Å; F47-S51 PolarHBondContact O-N 3.22Å; M48-S51 WeakPolarHBondContact O-CB 3.19Å; M48-S51 PolarHBondContact O-N 3.05Å; M48-S51 PolarHBondContact O-OG 3Å; Y49-S51 VanDerWaalsContact C-N 3.3Å; Y49-S51 PolarHBondContact O-N 2.71Å; S51-L53 PolarHBondContact O-N 3.05Å; S51-K54 PolarHBondContact O-N 3.34Å
52	C	67.9	Low	70.8	Confident	92 Å²	92	74.9 Å²	74.9	62%	0.622	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.4	175.9	-65.7	0	0	0	0	113.9	M48 Y49	M48-C52 PolarHBondContact O-N 2.89Å; Y49-C52 PolarHBondContact O-N 3.4Å
53	L	88.4	Confident	72.4	Confident	9 Å²	9	74 Å²	74	5%	0.047	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	20.6	179.8	-63.2	176.8	0	0	0	112.4	Y49 L50 S51 W55 L72 V73 R134	Y49-L53 HydrophobicContact CD1-CD1 3.85Å; Y49-L53 HydrophobicContact CE1-CD1 3.46Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.46Å; Y49-L53 WeakPolarHBondContact O-CG 3.06Å; Y49-L53 PolarHBondContact O-N 3.3Å; L50-L53 PolarHBondContact O-N 3.02Å; S51-L53 PolarHBondContact O-N 3.05Å; L53-W55 VanDerWaalsContact C-CE3 3.47Å; L53-W55 VanDerWaalsContact CA-CZ3 3.49Å; L53-W55 HydrophobicContact CB-CZ3 4.31Å; L53-W55 HydrophobicContact CD2-CH2 4.26Å; L53-W55 VanDerWaalsContact O-CE3 3.28Å; L53-W55 WeakPolarHBondContact O-CZ3 3.49Å; L53-L72 HydrophobicContact CB-CD1 4.14Å; L53-L72 CarbonylContact O-C 3.56Å; L53-L72 WeakPolarHBondContact O-CA 3.45Å; L53-L72 WeakPolarHBondContact O-CD1 3.28Å; L53-V73 WeakPolarHBondContact CB-O 2.93Å; L53-V73 PolarHBondContact O-N 3.45Å; L53-R134 HydrophobicContact CD2-CG 3.92Å
54	K	93.4	Very high	74.4	Confident	75 Å²	75	69.3 Å²	69.3	33%	0.326	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.3	-177.1	-170.6	-177.7	178.8	-175.8	0	111.3	S51 N70 L71 L72 N86	S51-K54 PolarHBondContact O-N 3.34Å; K54-N70 HydrophobicContact CD-CB 4.47Å; K54-N70 VanDerWaalsContact CE-CB 3.45Å; K54-N70 WeakPolarHBondContact CE-ND2 3.09Å; K54-N70 HydrophobicContact CG-CB 4.18Å; K54-N70 PolarHBondContact NZ-ND2 3.04Å; K54-L71 CarbonylContact C-O 3.12Å; K54-L71 WeakPolarHBondContact CA-O 3.15Å; K54-L72 HydrophobicContact CB-CD1 4.24Å; K54-N86 WeakPolarHBondContact CE-OD1 3.41Å; K54-N86 PolarHBondContact NZ-ND2 3.17Å; K54-N86 PolarHBondContact NZ-OD1 3.33Å
55	W	95.3	Very high	76.8	Confident	24 Å²	24	65.8 Å²	65.8	9%	0.091	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.2	177.1	-70.4	-100.4	0	0	0	110.6	L53 N70 L71 V73 C125 L131 R134	L53-W55 VanDerWaalsContact C-CE3 3.47Å; L53-W55 VanDerWaalsContact CA-CZ3 3.49Å; L53-W55 HydrophobicContact CB-CZ3 4.31Å; L53-W55 HydrophobicContact CD2-CH2 4.26Å; L53-W55 VanDerWaalsContact O-CE3 3.28Å; L53-W55 WeakPolarHBondContact O-CZ3 3.49Å; W55-N70 CarbonylContact O-C 3.59Å; W55-N70 WeakPolarHBondContact O-CA 3.38Å; W55-L71 PolarHBondContact N-O 3.41Å; W55-L71 PolarHBondContact O-N 3.3Å; W55-V73 HydrophobicContact CE3-CG2 4.01Å; W55-V73 HydrophobicContact CH2-CG2 4.29Å; W55-V73 HydrophobicContact CZ3-CB 3.96Å; W55-V73 HydrophobicContact CZ3-CG2 3.46Å; W55-V73 VanDerWaalsContact CZ3-CG2 3.46Å; W55-C125 HydrophobicContact CB-CB 4.45Å; W55-L131 HydrophobicContact CB-CD1 3.88Å; W55-L131 HydrophobicContact CD2-CB 4.07Å; W55-L131 HydrophobicContact CD2-CD1 3.78Å; W55-L131 HydrophobicContact CD2-CG 4.14Å; W55-L131 HydrophobicContact CE3-CD1 3.91Å; W55-L131 HydrophobicContact CE3-CG 4.18Å; W55-L131 HydrophobicContact CG-CB 4.34Å; W55-L131 HydrophobicContact CG-CD1 3.74Å; W55-L131 HydrophobicContact CG-CG 4.5Å; W55-L131 HydrophobicContact CZ2-CB 4.42Å; W55-R134 HydrophobicContact CH2-CB 4.32Å; W55-R134 HydrophobicContact CH2-CG 4.07Å
56	A	96.2	Very high	79.3	Confident	74 Å²	74	62.8 Å²	62.8	61%	0.612	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.3	165	0	0	0	0	0	108.8	C125	A56-C125 VanDerWaalsContact O-CB 3.25Å; A56-C125 WeakPolarHBondContact O-CB 3.34Å
57	A	97.5	Very high	81.7	Confident	8 Å²	8	62.5 Å²	62.5	7%	0.066	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	168.4	-171.3	0	0	0	0	0	112.1	V69 L71 S124 C125	A57-V69 CarbonylContact C-O 3.54Å; A57-V69 WeakPolarHBondContact CA-O 3.34Å; A57-V69 HydrophobicContact CB-CG2 4.04Å; A57-V69 PolarHBondContact N-O 2.89Å; A57-V69 PolarHBondContact O-N 3.48Å; A57-L71 HydrophobicContact CB-CD1 3.9Å; A57-L71 HydrophobicContact CB-CG 3.82Å; A57-S124 CarbonylContact C-O 3.53Å; A57-S124 VanDerWaalsContact CA-O 3.22Å; A57-S124 WeakPolarHBondContact CA-O 3.33Å; A57-S124 WeakPolarHBondContact CB-O 3.32Å; A57-C125 HydrophobicContact CB-CB 3.69Å
58	C	97.8	Very high	84.1	Confident	46 Å²	46	60 Å²	60	31%	0.311	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.5	169.7	-70.3	0	0	0	0	109.5	V66 I67 F123 S124	C58-V66 HydrophobicContact CB-CG1 3.7Å; C58-I67 CarbonylContact C-O 3.59Å; C58-I67 WeakPolarHBondContact CA-O 2.95Å; C58-F123 CarbonylContact O-C 3.42Å; C58-F123 VanDerWaalsContact O-CA 3.22Å; C58-F123 WeakPolarHBondContact O-CA 3.47Å; C58-S124 PolarHBondContact N-O 2.85Å; C58-S124 PolarHBondContact O-N 2.65Å
59	K	97.4	Very high	86.7	Confident	10 Å²	10	54 Å²	54	4%	0.043	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.7	173.2	175.2	72.9	-159.4	160.5	0	109.6	Q61 V66 I67 V69 H121 M122 F123	K59-Q61 PolarHBondContact O-N 3.14Å; K59-V66 WeakPolarHBondContact O-CA 3.23Å; K59-I67 HydrophobicContact CB-CG1 3.87Å; K59-I67 HydrophobicContact CG-CG1 4.43Å; K59-I67 PolarHBondContact N-O 3.31Å; K59-I67 PolarHBondContact O-N 3.2Å; K59-V69 HydrophobicContact CB-CG1 3.96Å; K59-V69 HydrophobicContact CB-CG2 4.11Å; K59-H121 VanDerWaalsContact NZ-CA 3.3Å; K59-M122 WeakPolarHBondContact CD-O 3.15Å; K59-M122 WeakPolarHBondContact CE-O 3.4Å; K59-M122 VanDerWaalsContact NZ-N 3.14Å; K59-M122 PolarHBondContact NZ-O 3.35Å; K59-F123 HydrophobicContact CB-CD1 4.16Å; K59-F123 HydrophobicContact CB-CE1 4.1Å; K59-F123 HydrophobicContact CD-CD1 3.62Å; K59-F123 HydrophobicContact CD-CE1 3.13Å; K59-F123 HydrophobicContact CD-CE2 4.16Å; K59-F123 HydrophobicContact CD-CG 4.32Å; K59-F123 HydrophobicContact CD-CZ 3.45Å; K59-F123 VanDerWaalsContact CD-CZ 3.45Å; K59-F123 HydrophobicContact CG-CE1 4.2Å; K59-F123 VanDerWaalsContact NZ-CZ 3.3Å
60	Y	96.1	Very high	88.9	Confident	45 Å²	45	48.2 Å²	48.2	18%	0.176	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	112.8	166.4	-63.9	-94.3	0	0	0	109.5	V66 T109 M122 M156	Y60-V66 HydrophobicContact CD1-CG2 3.51Å; Y60-V66 HydrophobicContact CE1-CG1 4.48Å; Y60-V66 HydrophobicContact CE1-CG2 3.64Å; Y60-V66 HydrophobicContact CG-CG2 4.35Å; Y60-T109 HydrophobicContact CE2-CG2 4.13Å; Y60-M122 VanDerWaalsContact CB-CE 3.42Å; Y60-M122 HydrophobicContact CD1-CE 3.55Å; Y60-M122 HydrophobicContact CD2-CB 4.34Å; Y60-M122 HydrophobicContact CD2-CE 3.65Å; Y60-M122 HydrophobicContact CD2-CG 3.79Å; Y60-M122 HydrophobicContact CD2-SD 4.44Å; Y60-M122 HydrophobicContact CE1-CE 4.2Å; Y60-M122 HydrophobicContact CE2-CE 4.26Å; Y60-M122 HydrophobicContact CE2-CG 4.43Å; Y60-M122 HydrophobicContact CG-CE 3.24Å; Y60-M122 HydrophobicContact CG-CG 4.25Å; Y60-M122 PolarHBondContact N-O 3.47Å; Y60-M156 HydrophobicContact CD1-CE 3.46Å; Y60-M156 VanDerWaalsContact CD1-CE 3.46Å; Y60-M156 HydrophobicContact CE1-CE 3.12Å; Y60-M156 HydrophobicContact CG-CE 4.34Å
61	Q	92.2	Very high	91	Very high	70 Å²	70	44.9 Å²	44.9	33%	0.327	29%	0.286	S	S	.	.			trans	-78.1	154.8	179.9	-60.1	-176.4	-41.4	0	0	111	K59 S63 G64 G65 I67	K59-Q61 PolarHBondContact O-N 3.14Å; Q61-S63 WeakPolarHBondContact CB-OG 3.39Å; Q61-S63 PolarHBondContact O-N 3.3Å; Q61-S63 PolarHBondContact OE1-OG 3.38Å; Q61-G64 PolarHBondContact O-N 3.01Å; Q61-G65 WeakPolarHBondContact CB-O 3.31Å; Q61-G65 PolarHBondContact N-O 3.32Å; Q61-I67 HydrophobicContact CG-CD1 4.49Å; Q61-I67 HydrophobicContact CG-CG1 4.27Å
62	W	90.3	Very high	92.8	Very high	25 Å²	25	42.9 Å²	42.9	10%	0.095	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.3	177	-66.3	-6.5	0	0	0	114	G64 R119 L120 H121 F159 R163 L164 I214	W62-G64 VanDerWaalsContact C-N 3.26Å; W62-R119 HydrophobicContact CH2-CB 4.44Å; W62-R119 HydrophobicContact CH2-CG 4.26Å; W62-R119 VanDerWaalsContact CH2-CZ 3.45Å; W62-R119 VanDerWaalsContact CH2-NE 3.34Å; W62-R119 VanDerWaalsContact CH2-NH2 3.31Å; W62-R119 HydrophobicContact CZ2-CB 4.34Å; W62-L120 PolarHBondContact NE1-O 2.89Å; W62-H121 AromaticContact CZ2-NE2 3.98Å; W62-F159 AromaticContact CD1-CZ 3.9Å; W62-R163 HydrophobicContact CD2-CG 4.49Å; W62-R163 HydrophobicContact CG-CB 4.45Å; W62-R163 HydrophobicContact CG-CG 4.26Å; W62-R163 WeakPolarHBondContact CZ2-O 3.35Å; W62-R163 PolarHBondContact O-NE 3.38Å; W62-L164 HydrophobicContact CD2-CD2 4.48Å; W62-L164 HydrophobicContact CE3-CD2 3.73Å; W62-L164 HydrophobicContact CH2-CD2 4.08Å; W62-L164 HydrophobicContact CZ3-CD2 3.45Å; W62-L164 VanDerWaalsContact CZ3-CD2 3.45Å; W62-I214 WeakPolarHBondContact CZ3-O 3.37Å
63	S	84.3	Confident	94.1	Very high	62 Å²	62	38.5 Å²	38.5	43%	0.434	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.9	170.3	51.6	0	0	0	0	113.3	Q61	Q61-S63 WeakPolarHBondContact CB-OG 3.39Å; Q61-S63 PolarHBondContact O-N 3.3Å; Q61-S63 PolarHBondContact OE1-OG 3.38Å
64	G	85	Confident	94.3	Very high	65 Å²	65	39 Å²	39	67%	0.67	25%	0.245	S	C	*	.	S	Bend	trans	95.7	-14.1	-177.7	0	0	0	0	0	114.7	Q61 W62	Q61-G64 PolarHBondContact O-N 3.01Å; W62-G64 VanDerWaalsContact C-N 3.26Å
65	G	90.6	Very high	94.2	Very high	29 Å²	29	38.7 Å²	38.7	30%	0.299	25%	0.252	S	S	.	.			trans	-70	157.4	175.3	0	0	0	0	0	113.4	Q61	Q61-G65 WeakPolarHBondContact CB-O 3.31Å; Q61-G65 PolarHBondContact N-O 3.32Å
66	V	95.4	Very high	94.1	Very high	76 Å²	76	42.2 Å²	42.2	46%	0.461	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.2	173.8	-174.2	0	0	0	0	108.5	C58 K59 Y60	C58-V66 HydrophobicContact CB-CG1 3.7Å; K59-V66 WeakPolarHBondContact O-CA 3.23Å; Y60-V66 HydrophobicContact CD1-CG2 3.51Å; Y60-V66 HydrophobicContact CE1-CG1 4.48Å; Y60-V66 HydrophobicContact CE1-CG2 3.64Å; Y60-V66 HydrophobicContact CG-CG2 4.35Å
67	I	95.5	Very high	94.1	Very high	56 Å²	56	38.7 Å²	38.7	29%	0.287	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.1	-179.7	62.1	166.4	0	0	0	111.4	C58 K59 Q61 V69	C58-I67 CarbonylContact C-O 3.59Å; C58-I67 WeakPolarHBondContact CA-O 2.95Å; K59-I67 HydrophobicContact CB-CG1 3.87Å; K59-I67 HydrophobicContact CG-CG1 4.43Å; K59-I67 PolarHBondContact N-O 3.31Å; K59-I67 PolarHBondContact O-N 3.2Å; Q61-I67 HydrophobicContact CG-CD1 4.49Å; Q61-I67 HydrophobicContact CG-CG1 4.27Å; I67-V69 HydrophobicContact CD1-CG1 4.21Å; I67-V69 HydrophobicContact CG1-CG1 4.2Å
68	P	97.4	Very high	94.1	Very high	90 Å²	90	38.3 Å²	38.3	58%	0.584	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	137.8	173.7	29.9	-34.3	0	0	0	110.7
69	V	97.3	Very high	94	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.4	177.9	-61	0	0	0	0	109.1	A57 K59 I67 Q80 L81 F123	A57-V69 CarbonylContact C-O 3.54Å; A57-V69 WeakPolarHBondContact CA-O 3.34Å; A57-V69 HydrophobicContact CB-CG2 4.04Å; A57-V69 PolarHBondContact N-O 2.89Å; A57-V69 PolarHBondContact O-N 3.48Å; K59-V69 HydrophobicContact CB-CG1 3.96Å; K59-V69 HydrophobicContact CB-CG2 4.11Å; I67-V69 HydrophobicContact CD1-CG1 4.21Å; I67-V69 HydrophobicContact CG1-CG1 4.2Å; V69-Q80 HydrophobicContact CB-CG 4.05Å; V69-Q80 HydrophobicContact CG1-CG 4.04Å; V69-Q80 HydrophobicContact CG2-CG 4.29Å; V69-L81 WeakPolarHBondContact CA-O 3.42Å; V69-F123 HydrophobicContact CG2-CD1 4.3Å; V69-F123 HydrophobicContact CG2-CE1 4.37Å
70	N	96.8	Very high	94	Very high	22 Å²	22	36.1 Å²	36.1	12%	0.118	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	143.4	161.8	-64.8	-46.1	0	0	0	109.3	K54 W55 L81 N86	K54-N70 HydrophobicContact CD-CB 4.47Å; K54-N70 VanDerWaalsContact CE-CB 3.45Å; K54-N70 WeakPolarHBondContact CE-ND2 3.09Å; K54-N70 HydrophobicContact CG-CB 4.18Å; K54-N70 PolarHBondContact NZ-ND2 3.04Å; W55-N70 CarbonylContact O-C 3.59Å; W55-N70 WeakPolarHBondContact O-CA 3.38Å; N70-L81 HydrophobicContact CB-CB 4.16Å; N70-L81 PolarHBondContact N-O 3.39Å; N70-L81 PolarHBondContact O-N 3.15Å; N70-N86 PolarHBondContact ND2-OD1 3.47Å
71	L	97.5	Very high	93.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.7	169.2	-64.5	-179.6	0	0	0	108.8	K54 W55 A57 I78 L79 Q80 F110 F123 L131	K54-L71 CarbonylContact C-O 3.12Å; K54-L71 WeakPolarHBondContact CA-O 3.15Å; W55-L71 PolarHBondContact N-O 3.41Å; W55-L71 PolarHBondContact O-N 3.3Å; A57-L71 HydrophobicContact CB-CD1 3.9Å; A57-L71 HydrophobicContact CB-CG 3.82Å; L71-I78 HydrophobicContact CB-CG2 4.39Å; L71-I78 HydrophobicContact CD2-CG2 4.19Å; L71-L79 CarbonylContact C-O 3.49Å; L71-L79 WeakPolarHBondContact CA-O 3.42Å; L71-Q80 HydrophobicContact CD2-CB 4.22Å; L71-F110 HydrophobicContact CD1-CE1 4.38Å; L71-F110 HydrophobicContact CD1-CZ 3.65Å; L71-F123 HydrophobicContact CD1-CB 4.17Å; L71-F123 HydrophobicContact CD1-CD1 4.02Å; L71-F123 HydrophobicContact CD1-CG 4.09Å; L71-F123 HydrophobicContact CD2-CD1 3.94Å; L71-F123 HydrophobicContact CD2-CE1 3.7Å; L71-F123 HydrophobicContact CD2-CZ 4.24Å; L71-F123 HydrophobicContact CG-CD1 4.39Å; L71-L131 HydrophobicContact CB-CD1 4.03Å; L71-L131 HydrophobicContact CD1-CD1 3.96Å
72	L	95.7	Very high	94.1	Very high	21 Å²	21	33.1 Å²	33.1	11%	0.11	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123	176.5	174.6	66.9	0	0	0	108.7	L50 L53 K54 L79 L81	L50-L72 HydrophobicContact CD2-CD1 4.24Å; L50-L72 HydrophobicContact CD2-CD2 4.3Å; L50-L72 WeakPolarHBondContact O-CD1 3.42Å; L53-L72 HydrophobicContact CB-CD1 4.14Å; L53-L72 CarbonylContact O-C 3.56Å; L53-L72 WeakPolarHBondContact O-CA 3.45Å; L53-L72 WeakPolarHBondContact O-CD1 3.28Å; K54-L72 HydrophobicContact CB-CD1 4.24Å; L72-L79 HydrophobicContact CB-CB 4.3Å; L72-L79 HydrophobicContact CD2-CD1 4.28Å; L72-L79 PolarHBondContact N-O 2.87Å; L72-L79 PolarHBondContact O-N 2.99Å; L72-L81 HydrophobicContact CB-CD1 3.89Å; L72-L81 HydrophobicContact CB-CG 4.36Å; L72-L81 HydrophobicContact CD2-CD1 4.15Å
73	V	95.5	Very high	94.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	108.4	175.9	-176.6	0	0	0	0	108.3	L53 W55 Y94 L131 R134 V135	L53-V73 WeakPolarHBondContact CB-O 2.93Å; L53-V73 PolarHBondContact O-N 3.45Å; W55-V73 HydrophobicContact CE3-CG2 4.01Å; W55-V73 HydrophobicContact CH2-CG2 4.29Å; W55-V73 HydrophobicContact CZ3-CB 3.96Å; W55-V73 HydrophobicContact CZ3-CG2 3.46Å; W55-V73 VanDerWaalsContact CZ3-CG2 3.46Å; V73-Y94 WeakPolarHBondContact CG1-OH 3.47Å; V73-L131 HydrophobicContact CG2-CG 4.22Å; V73-R134 HydrophobicContact CB-CG 4.33Å; V73-R134 HydrophobicContact CG1-CG 3.97Å; V73-V135 HydrophobicContact CG1-CG2 3.95Å; V73-V135 HydrophobicContact CG2-CG2 3.7Å
74	C	92.3	Very high	94.6	Very high	20 Å²	20	37.7 Å²	37.7	14%	0.135	24%	0.238	C	C	.	.			trans	-100	-179.2	-178.9	-71.8	0	0	0	0	111.8	Y76 A77 L79 Y94	C74-Y76 HydrophobicContact CB-CE1 4.47Å; C74-Y76 PolarHBondContact O-N 2.86Å; C74-A77 PolarHBondContact N-O 3.48Å; C74-L79 HydrophobicContact CB-CD1 4.46Å; C74-L79 HydrophobicContact CB-CG 4.39Å; C74-L79 WeakPolarHBondContact SG-CD1 3.23Å; C74-Y94 WeakPolarHBondContact O-CE2 3.43Å; C74-Y94 PolarHBondContact O-OH 2.91Å
75	S	92	Very high	94.9	Very high	68 Å²	68	37.7 Å²	37.7	48%	0.476	23%	0.228	S	C	.	.	S	Bend	trans	-64	-23.8	176.9	53	0	0	0	0	113.9	Y94 N142 V143	S75-Y94 WeakPolarHBondContact O-CE2 3.1Å; S75-N142 WeakPolarHBondContact O-CB 3.48Å; S75-V143 VanDerWaalsContact O-CG2 3.26Å; S75-V143 WeakPolarHBondContact O-CG2 3.17Å
76	Y	94.1	Very high	94.9	Very high	99 Å²	99	39.8 Å²	39.8	39%	0.388	23%	0.232	S	C	.	.	S	Bend	trans	-126.4	-11.2	-174.2	65.3	-87.6	0	0	0	115.4	C74 C93 Y94	C74-Y76 HydrophobicContact CB-CE1 4.47Å; C74-Y76 PolarHBondContact O-N 2.86Å; Y76-C93 WeakPolarHBondContact O-CA 3.14Å; Y76-Y94 VanDerWaalsContact C-CE2 3.41Å; Y76-Y94 WeakPolarHBondContact O-CD2 3.2Å; Y76-Y94 PolarHBondContact O-N 3.27Å
77	A	95.6	Very high	94.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	164.5	-170.7	0	0	0	0	0	112.8	C74 L79 Y92 Y94	C74-A77 PolarHBondContact N-O 3.48Å; A77-L79 HydrophobicContact CB-CD2 3.94Å; A77-Y92 VanDerWaalsContact CA-O 3.29Å; A77-Y92 WeakPolarHBondContact CA-O 3.29Å; A77-Y92 WeakPolarHBondContact CB-O 3.32Å; A77-Y94 PolarHBondContact O-OH 3.01Å
78	I	96.9	Very high	94.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.8	156.7	-52.3	166.2	0	0	0	107.6	L71 Y92 Y94 I97 I112 V135	L71-I78 HydrophobicContact CB-CG2 4.39Å; L71-I78 HydrophobicContact CD2-CG2 4.19Å; I78-Y92 HydrophobicContact CB-CD2 4.46Å; I78-Y92 PolarHBondContact N-O 2.73Å; I78-Y92 WeakPolarHBondContact O-CD2 3.34Å; I78-Y92 PolarHBondContact O-N 2.75Å; I78-Y94 HydrophobicContact CG1-CE1 4.12Å; I78-I97 HydrophobicContact CD1-CD1 3.89Å; I78-I97 HydrophobicContact CG1-CD1 4.43Å; I78-I112 HydrophobicContact CD1-CD1 3.69Å; I78-I112 HydrophobicContact CD1-CG1 4.43Å; I78-V135 HydrophobicContact CD1-CB 4.45Å; I78-V135 HydrophobicContact CD1-CG1 3.95Å; I78-V135 HydrophobicContact CD1-CG2 3.65Å; I78-V135 HydrophobicContact CG1-CG1 4.24Å; I78-V135 HydrophobicContact CG1-CG2 3.61Å
79	L	96.3	Very high	94.5	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.047	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.5	174.9	-50.9	-173.4	0	0	0	110	L71 L72 C74 A77 L81 I88 E91	L71-L79 CarbonylContact C-O 3.49Å; L71-L79 WeakPolarHBondContact CA-O 3.42Å; L72-L79 HydrophobicContact CB-CB 4.3Å; L72-L79 HydrophobicContact CD2-CD1 4.28Å; L72-L79 PolarHBondContact N-O 2.87Å; L72-L79 PolarHBondContact O-N 2.99Å; C74-L79 HydrophobicContact CB-CD1 4.46Å; C74-L79 HydrophobicContact CB-CG 4.39Å; C74-L79 WeakPolarHBondContact SG-CD1 3.23Å; A77-L79 HydrophobicContact CB-CD2 3.94Å; L79-L81 HydrophobicContact CB-CD2 3.93Å; L79-I88 HydrophobicContact CD1-CD1 4.06Å; L79-I88 HydrophobicContact CD1-CG1 4.39Å; L79-E91 HydrophobicContact CD2-CB 3.95Å; L79-E91 HydrophobicContact CD2-CG 3.78Å
80	Q	96.4	Very high	94.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.7	168.1	177.8	-172.3	-26.9	0	0	108.7	V69 L71 L89 A90 Y92 F123	V69-Q80 HydrophobicContact CB-CG 4.05Å; V69-Q80 HydrophobicContact CG1-CG 4.04Å; V69-Q80 HydrophobicContact CG2-CG 4.29Å; L71-Q80 HydrophobicContact CD2-CB 4.22Å; Q80-L89 HydrophobicContact CG-CB 4.28Å; Q80-L89 WeakPolarHBondContact O-CB 3.4Å; Q80-L89 PolarHBondContact O-N 3.34Å; Q80-A90 HydrophobicContact CB-CB 4.23Å; Q80-A90 PolarHBondContact N-O 3.13Å; Q80-A90 PolarHBondContact O-N 3.26Å; Q80-Y92 HydrophobicContact CB-CE2 4.01Å; Q80-Y92 PolarHBondContact OE1-OH 3.18Å; Q80-F123 HydrophobicContact CG-CE1 4.35Å
81	L	95.7	Very high	94.2	Very high	9 Å²	9	40.5 Å²	40.5	5%	0.047	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	146.7	-177.3	-45.3	178.3	0	0	0	111.7	V69 N70 L72 L79 N86 R87 I88	V69-L81 WeakPolarHBondContact CA-O 3.42Å; N70-L81 HydrophobicContact CB-CB 4.16Å; N70-L81 PolarHBondContact N-O 3.39Å; N70-L81 PolarHBondContact O-N 3.15Å; L72-L81 HydrophobicContact CB-CD1 3.89Å; L72-L81 HydrophobicContact CB-CG 4.36Å; L72-L81 HydrophobicContact CD2-CD1 4.15Å; L79-L81 HydrophobicContact CB-CD2 3.93Å; L81-N86 HydrophobicContact CD1-CB 4.35Å; L81-R87 CarbonylContact C-O 3.55Å; L81-R87 WeakPolarHBondContact CA-O 3.29Å; L81-I88 HydrophobicContact CD2-CB 4.35Å; L81-I88 HydrophobicContact CD2-CG1 3.7Å
82	E	94.6	Very high	94.1	Very high	42 Å²	42	40.8 Å²	40.8	20%	0.196	22%	0.223	C	C	.	.			trans	-71.6	140.3	172.9	-173.2	174	-109.2	0	0	111	S85 N86 R87 L89	E82-S85 WeakPolarHBondContact CB-OG 3.42Å; E82-S85 WeakPolarHBondContact CG-OG 3.49Å; E82-S85 PolarHBondContact O-N 3.4Å; E82-S85 PolarHBondContact OE2-OG 3.17Å; E82-N86 VanDerWaalsContact O-CA 3.29Å; E82-N86 WeakPolarHBondContact O-CA 3.33Å; E82-N86 PolarHBondContact O-N 3.02Å; E82-R87 HydrophobicContact CB-CB 4.22Å; E82-R87 PolarHBondContact N-O 3.41Å; E82-R87 IonicContact OE1-CZ 3.58Å; E82-R87 IonicContact OE1-NE 2.72Å; E82-R87 IonicContact OE1-NH2 2.76Å; E82-R87 PolarHBondContact OE1-NH2 2.99Å; E82-R87 IonicContact OE2-CZ 3.73Å; E82-R87 IonicContact OE2-NE 3.97Å; E82-R87 PolarHBondContact OE2-NE 3.27Å; E82-R87 IonicContact OE2-NH2 3.56Å; E82-L89 HydrophobicContact CB-CD1 3.86Å; E82-L89 HydrophobicContact CB-CD2 3.95Å; E82-L89 HydrophobicContact CB-CG 3.84Å; E82-L89 HydrophobicContact CG-CD1 4.49Å; E82-L89 HydrophobicContact CG-CD2 4.46Å
83	V	94	Very high	94	Very high	69 Å²	69	41.1 Å²	41.1	42%	0.418	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	131.1	174.3	179.2	0	0	0	0	108.9
84	P	92.5	Very high	94	Very high	115 Å²	115	41.1 Å²	41.1	75%	0.747	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	cis	-92.5	-2.9	-3.3	36.5	-35.3	0	0	0	114.5	N86	P84-N86 PolarHBondContact O-N 3.17Å; P84-N86 VanDerWaalsContact O-N 3.14Å
85	S	90.6	Very high	94	Very high	65 Å²	65	45.3 Å²	45.3	46%	0.455	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.7	-169.1	65.5	0	0	0	0	115.1	E82 R87	E82-S85 WeakPolarHBondContact CB-OG 3.42Å; E82-S85 WeakPolarHBondContact CG-OG 3.49Å; E82-S85 PolarHBondContact O-N 3.4Å; E82-S85 PolarHBondContact OE2-OG 3.17Å; S85-R87 PolarHBondContact O-N 3.35Å; S85-R87 VanDerWaalsContact O-N 3.17Å; S85-R87 PolarHBondContact OG-N 2.99Å
86	N	90.8	Very high	94	Very high	72 Å²	72	43.7 Å²	43.7	39%	0.385	23%	0.229	S	C	.	.			trans	57.1	19.8	-172.5	-59.6	-46.2	0	0	0	114.7	K54 N70 L81 E82 P84	K54-N86 WeakPolarHBondContact CE-OD1 3.41Å; K54-N86 PolarHBondContact NZ-ND2 3.17Å; K54-N86 PolarHBondContact NZ-OD1 3.33Å; N70-N86 PolarHBondContact ND2-OD1 3.47Å; L81-N86 HydrophobicContact CD1-CB 4.35Å; E82-N86 VanDerWaalsContact O-CA 3.29Å; E82-N86 WeakPolarHBondContact O-CA 3.33Å; E82-N86 PolarHBondContact O-N 3.02Å; P84-N86 PolarHBondContact O-N 3.17Å; P84-N86 VanDerWaalsContact O-N 3.14Å
87	R	92.3	Very high	94.1	Very high	69 Å²	69	39.5 Å²	39.5	26%	0.26	21%	0.213	S	C	.	.			trans	-66	135.7	172.7	-175.7	174.8	65.3	119.1	8.7	110.3	L81 E82 S85 L89 V186 R187 H188	L81-R87 CarbonylContact C-O 3.55Å; L81-R87 WeakPolarHBondContact CA-O 3.29Å; E82-R87 HydrophobicContact CB-CB 4.22Å; E82-R87 PolarHBondContact N-O 3.41Å; E82-R87 IonicContact OE1-CZ 3.58Å; E82-R87 IonicContact OE1-NE 2.72Å; E82-R87 IonicContact OE1-NH2 2.76Å; E82-R87 PolarHBondContact OE1-NH2 2.99Å; E82-R87 IonicContact OE2-CZ 3.73Å; E82-R87 IonicContact OE2-NE 3.97Å; E82-R87 PolarHBondContact OE2-NE 3.27Å; E82-R87 IonicContact OE2-NH2 3.56Å; S85-R87 PolarHBondContact O-N 3.35Å; S85-R87 VanDerWaalsContact O-N 3.17Å; S85-R87 PolarHBondContact OG-N 2.99Å; R87-L89 PolarHBondContact O-N 2.92Å; R87-V186 PolarHBondContact NH1-O 3.39Å; R87-R187 PolarHBondContact NH2-O 2.94Å; R87-H188 PolarHBondContact NH1-O 3.32Å
88	I	92.8	Very high	94.1	Very high	60 Å²	60	41.2 Å²	41.2	31%	0.308	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	119.4	178	-59	170.5	0	0	0	109.8	L79 L81 E91	L79-I88 HydrophobicContact CD1-CD1 4.06Å; L79-I88 HydrophobicContact CD1-CG1 4.39Å; L81-I88 HydrophobicContact CD2-CB 4.35Å; L81-I88 HydrophobicContact CD2-CG1 3.7Å; I88-E91 HydrophobicContact CG2-CG 3.69Å
89	L	93.9	Very high	94.1	Very high	18 Å²	18	43.2 Å²	43.2	9%	0.094	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-26.8	178.1	-64.6	178.7	0	0	0	113.3	Q80 E82 R87 R187	Q80-L89 HydrophobicContact CG-CB 4.28Å; Q80-L89 WeakPolarHBondContact O-CB 3.4Å; Q80-L89 PolarHBondContact O-N 3.34Å; E82-L89 HydrophobicContact CB-CD1 3.86Å; E82-L89 HydrophobicContact CB-CD2 3.95Å; E82-L89 HydrophobicContact CB-CG 3.84Å; E82-L89 HydrophobicContact CG-CD1 4.49Å; E82-L89 HydrophobicContact CG-CD2 4.46Å; R87-L89 PolarHBondContact O-N 2.92Å; L89-R187 HydrophobicContact CD2-CG 4.23Å; L89-R187 PolarHBondContact O-NE 3.22Å; L89-R187 PolarHBondContact O-NH2 3.13Å
90	A	93.9	Very high	94.2	Very high	19 Å²	19	42.8 Å²	42.8	16%	0.157	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	156.1	174.3	0	0	0	0	0	110.6	Q80 Y92 R187	Q80-A90 HydrophobicContact CB-CB 4.23Å; Q80-A90 PolarHBondContact N-O 3.13Å; Q80-A90 PolarHBondContact O-N 3.26Å; A90-Y92 HydrophobicContact CB-CE2 4.02Å; A90-R187 VanDerWaalsContact CB-NH2 3.34Å
91	E	94.4	Very high	94.2	Very high	94 Å²	94	43 Å²	43	44%	0.439	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.3	177.3	-48.1	-176.3	-164.6	0	0	107.6	L79 I88	L79-E91 HydrophobicContact CD2-CB 3.95Å; L79-E91 HydrophobicContact CD2-CG 3.78Å; I88-E91 HydrophobicContact CG2-CG 3.69Å
92	Y	95.7	Very high	94.3	Very high	6 Å²	6	46.7 Å²	46.7	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	85.1	176.3	-53.9	-81.8	0	0	0	107.4	A77 I78 Q80 A90 I112 H121 F123	A77-Y92 VanDerWaalsContact CA-O 3.29Å; A77-Y92 WeakPolarHBondContact CA-O 3.29Å; A77-Y92 WeakPolarHBondContact CB-O 3.32Å; I78-Y92 HydrophobicContact CB-CD2 4.46Å; I78-Y92 PolarHBondContact N-O 2.73Å; I78-Y92 WeakPolarHBondContact O-CD2 3.34Å; I78-Y92 PolarHBondContact O-N 2.75Å; Q80-Y92 HydrophobicContact CB-CE2 4.01Å; Q80-Y92 PolarHBondContact OE1-OH 3.18Å; A90-Y92 HydrophobicContact CB-CE2 4.02Å; Y92-I112 HydrophobicContact CD1-CD1 4.44Å; Y92-I112 HydrophobicContact CD2-CD1 4.09Å; Y92-I112 HydrophobicContact CG-CD1 4.01Å; Y92-H121 HydrophobicContact CE1-CB 4.03Å; Y92-H121 AromaticContact CE1-CE1 3.88Å; Y92-H121 AromaticContact CE1-CG 3.65Å; Y92-H121 AromaticContact CE1-ND1 3.44Å; Y92-H121 WeakPolarHBondContact CE1-ND1 3.29Å; Y92-H121 AromaticContact CZ-ND1 3.8Å; Y92-H121 PolarHBondContact OH-ND1 2.91Å; Y92-F123 HydrophobicContact CE2-CE2 4.23Å; Y92-F123 AromaticContact CE2-CZ 3.67Å; Y92-F123 HydrophobicContact CE2-CZ 3.67Å; Y92-F123 AromaticContact CZ-CZ 3.79Å
93	C	94.5	Very high	94.4	Very high	28 Å²	28	45.3 Å²	45.3	19%	0.189	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	137.2	-179	-63.9	0	0	0	0	110.8	Y76 K95 D96 I97	Y76-C93 WeakPolarHBondContact O-CA 3.14Å; C93-K95 HydrophobicContact CB-CG 4.03Å; C93-K95 PolarHBondContact O-N 3.22Å; C93-D96 WeakPolarHBondContact O-CA 3.27Å; C93-D96 PolarHBondContact O-N 3.26Å; C93-I97 PolarHBondContact O-N 3.37Å
94	Y	95.6	Very high	94.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-56.3	-38.3	-177.2	-60.1	-40.7	0	0	0	112.9	V73 C74 S75 Y76 A77 I78 D96 I97 V135 S139 V143	V73-Y94 WeakPolarHBondContact CG1-OH 3.47Å; C74-Y94 WeakPolarHBondContact O-CE2 3.43Å; C74-Y94 PolarHBondContact O-OH 2.91Å; S75-Y94 WeakPolarHBondContact O-CE2 3.1Å; Y76-Y94 VanDerWaalsContact C-CE2 3.41Å; Y76-Y94 WeakPolarHBondContact O-CD2 3.2Å; Y76-Y94 PolarHBondContact O-N 3.27Å; A77-Y94 PolarHBondContact O-OH 3.01Å; I78-Y94 HydrophobicContact CG1-CE1 4.12Å; Y94-D96 PolarHBondContact O-N 2.92Å; Y94-D96 VanDerWaalsContact O-N 3.12Å; Y94-I97 HydrophobicContact CD1-CD1 4.18Å; Y94-I97 PolarHBondContact O-N 3.44Å; Y94-I97 VanDerWaalsContact O-N 3.1Å; Y94-V135 HydrophobicContact CD1-CG1 4.19Å; Y94-V135 HydrophobicContact CE1-CG1 3.84Å; Y94-S139 VanDerWaalsContact CD2-CA 3.45Å; Y94-S139 VanDerWaalsContact CG-CB 3.49Å; Y94-V143 HydrophobicContact CD2-CG2 3.85Å
95	K	91.6	Very high	94.7	Very high	108 Å²	108	44.4 Å²	44.4	47%	0.47	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-58.4	-22.9	174.9	69.6	174.2	-175	63.7	0	114.4	C93 V145	C93-K95 HydrophobicContact CB-CG 4.03Å; C93-K95 PolarHBondContact O-N 3.22Å; K95-V145 HydrophobicContact CB-CG2 4.43Å
96	D	92.6	Very high	94.9	Very high	34 Å²	34	42.4 Å²	42.4	18%	0.182	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-105.8	3.6	-178	-55.7	-49.7	0	0	0	112.2	C93 Y94 H114 S115	C93-D96 WeakPolarHBondContact O-CA 3.27Å; C93-D96 PolarHBondContact O-N 3.26Å; Y94-D96 PolarHBondContact O-N 2.92Å; Y94-D96 VanDerWaalsContact O-N 3.12Å; D96-H114 CarbonylContact O-C 3.46Å; D96-H114 WeakPolarHBondContact O-CA 3.15Å; D96-S115 WeakPolarHBondContact O-CB 3.48Å; D96-S115 PolarHBondContact O-N 2.94Å
97	I	96.3	Very high	95	Very high	11 Å²	11	44 Å²	44	6%	0.056	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	110.6	172.7	-61.3	178.9	0	0	0	108.3	I78 C93 Y94 L100 I112	I78-I97 HydrophobicContact CD1-CD1 3.89Å; I78-I97 HydrophobicContact CG1-CD1 4.43Å; C93-I97 PolarHBondContact O-N 3.37Å; Y94-I97 HydrophobicContact CD1-CD1 4.18Å; Y94-I97 PolarHBondContact O-N 3.44Å; Y94-I97 VanDerWaalsContact O-N 3.1Å; I97-L100 HydrophobicContact CG2-CD2 3.96Å; I97-L100 HydrophobicContact CG2-CG 4.1Å; I97-I112 HydrophobicContact CD1-CG2 4.15Å; I97-I112 HydrophobicContact CG1-CG2 3.87Å; I97-I112 HydrophobicContact CG2-CG2 4.15Å
98	A	94.9	Very high	95.2	Very high	36 Å²	36	44 Å²	44	30%	0.298	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-45.9	174.4	0	0	0	0	0	111.1	S113 S115	A98-S113 WeakPolarHBondContact CB-O 3.19Å; A98-S113 PolarHBondContact N-O 2.86Å; A98-S115 WeakPolarHBondContact CB-OG 3.22Å
99	E	96.4	Very high	95.4	Very high	42 Å²	42	41.6 Å²	41.6	20%	0.196	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	156.8	-179.7	56.5	-171.9	159.2	0	0	111.2	I101 S113 K148	E99-I101 HydrophobicContact CG-CD1 3.99Å; E99-I101 HydrophobicContact CG-CG1 3.84Å; E99-S113 WeakPolarHBondContact O-CB 3.31Å; E99-S113 PolarHBondContact O-N 3.23Å; E99-K148 CarbonylContact C-O 3.52Å; E99-K148 WeakPolarHBondContact CA-O 3.46Å
100	L	97.9	Very high	95.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.8	173.1	-60.6	165.2	0	0	0	108.4	I97 I111 I112 L132 V135 C147 K148 I149 S150	I97-L100 HydrophobicContact CG2-CD2 3.96Å; I97-L100 HydrophobicContact CG2-CG 4.1Å; L100-I111 WeakPolarHBondContact CA-O 3.37Å; L100-I112 HydrophobicContact CD2-CB 4.48Å; L100-I112 HydrophobicContact CD2-CG1 3.95Å; L100-I112 HydrophobicContact CD2-CG2 4.5Å; L100-L132 HydrophobicContact CB-CD2 3.95Å; L100-L132 HydrophobicContact CD1-CD2 3.95Å; L100-L132 HydrophobicContact CD2-CD2 4.12Å; L100-L132 HydrophobicContact CG-CD2 4.22Å; L100-V135 HydrophobicContact CD1-CB 4.31Å; L100-V135 HydrophobicContact CD1-CG1 3.71Å; L100-C147 HydrophobicContact CD1-CB 4.45Å; L100-K148 PolarHBondContact N-O 3.4Å; L100-I149 HydrophobicContact CB-CG1 4.38Å; L100-I149 HydrophobicContact CD1-CG1 4.2Å; L100-I149 CarbonylContact O-C 3.55Å; L100-I149 WeakPolarHBondContact O-CA 3.29Å; L100-S150 PolarHBondContact O-N 2.93Å
101	I	97.7	Very high	95.8	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129	-170.7	-51.3	165.7	0	0	0	109.2	E99 F110 I111 V154	E99-I101 HydrophobicContact CG-CD1 3.99Å; E99-I101 HydrophobicContact CG-CG1 3.84Å; I101-F110 CarbonylContact O-C 3.58Å; I101-F110 VanDerWaalsContact O-CA 3.28Å; I101-F110 WeakPolarHBondContact O-CA 3.17Å; I101-I111 HydrophobicContact CB-CB 4.27Å; I101-I111 PolarHBondContact N-O 3.34Å; I101-I111 PolarHBondContact O-N 2.6Å; I101-V154 HydrophobicContact CG2-CB 4.44Å; I101-V154 HydrophobicContact CG2-CG1 4.06Å; I101-V154 HydrophobicContact CG2-CG2 3.72Å
102	K	97.5	Very high	96	Very high	86 Å²	86	35.3 Å²	35.3	37%	0.374	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	146.6	173.3	-66.9	-175.4	-179.7	-178	0	110.6	L132 S153 V154	K102-L132 HydrophobicContact CG-CD1 4.23Å; K102-S153 WeakPolarHBondContact O-CA 3.29Å; K102-S153 VanDerWaalsContact O-CB 3.3Å; K102-S153 WeakPolarHBondContact O-CB 3.43Å; K102-V154 PolarHBondContact O-N 3.11Å; K102-V154 VanDerWaalsContact O-N 3.08Å
103	V	97.6	Very high	96.1	Very high	12 Å²	12	35.1 Å²	35.1	7%	0.073	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-94.2	130.3	176.2	-178.6	0	0	0	0	110	D105 A106 T109 I111 M122 V154 M156	V103-D105 WeakPolarHBondContact CG1-OD1 3.49Å; V103-A106 HydrophobicContact CG1-CB 3.89Å; V103-T109 HydrophobicContact CB-CG2 4Å; V103-T109 HydrophobicContact CG1-CG2 4.46Å; V103-T109 HydrophobicContact CG2-CG2 3.71Å; V103-T109 PolarHBondContact N-O 3.27Å; V103-T109 VanDerWaalsContact N-O 3.07Å; V103-I111 HydrophobicContact CG2-CD1 3.86Å; V103-I111 HydrophobicContact CG2-CG1 3.87Å; V103-M122 HydrophobicContact CG2-SD 4.21Å; V103-V154 CarbonylContact C-O 3.58Å; V103-V154 VanDerWaalsContact CA-O 3.22Å; V103-V154 WeakPolarHBondContact CA-O 3.43Å; V103-M156 HydrophobicContact CG1-CB 4.26Å
104	S	96.2	Very high	96.1	Very high	68 Å²	68	35.3 Å²	35.3	48%	0.476	20%	0.2	S	C	.	.	S	Bend	trans	-79.9	-33.8	-170.2	60.6	0	0	0	0	114.1	S153 V154 P155	S104-S153 WeakPolarHBondContact CB-OG 3.25Å; S104-V154 PolarHBondContact N-O 3.45Å; S104-V154 PolarHBondContact OG-O 3.38Å; S104-P155 WeakPolarHBondContact OG-CA 3.32Å
105	D	95.9	Very high	95.8	Very high	98 Å²	98	37 Å²	37	52%	0.524	21%	0.211	S	C	.	.	S	Bend	trans	-103	4.6	-174.6	60.2	-19	0	0	0	113.2	V103 P155 M156	V103-D105 WeakPolarHBondContact CG1-OD1 3.49Å; D105-P155 WeakPolarHBondContact OD1-CA 3.49Å; D105-M156 VanDerWaalsContact CG-N 3.33Å; D105-M156 PolarHBondContact OD1-N 2.6Å; D105-M156 PolarHBondContact OD2-N 3.07Å; D105-M156 VanDerWaalsContact OD2-N 3.14Å
106	A	93.8	Very high	95.6	Very high	22 Å²	22	35.6 Å²	35.6	18%	0.182	21%	0.213	C	C	.	.	S	Bend	trans	-138.2	115.9	176.7	0	0	0	0	0	110.6	V103 T109	V103-A106 HydrophobicContact CG1-CB 3.89Å; A106-T109 HydrophobicContact CB-CG2 4.34Å; A106-T109 WeakPolarHBondContact O-CB 3.27Å
107	S	93.4	Very high	95.6	Very high	106 Å²	106	35.9 Å²	35.9	74%	0.741	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	150.2	176.3	55.7	0	0	0	0	111.2	T109	S107-T109 PolarHBondContact O-N 2.89Å; S107-T109 PolarHBondContact O-OG1 3.25Å
108	N	96.4	Very high	95.5	Very high	70 Å²	70	40.6 Å²	40.6	37%	0.374	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	23	174	-74.9	-21.2	0	0	0	115.1	S124 C125 S128	N108-S124 VanDerWaalsContact O-CA 3.23Å; N108-S124 WeakPolarHBondContact O-CA 3.43Å; N108-C125 WeakPolarHBondContact CB-O 3.48Å; N108-C125 PolarHBondContact O-N 3.18Å; N108-S128 WeakPolarHBondContact CA-OG 3.47Å
109	T	97.8	Very high	95.5	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.049	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.4	-175.3	-56.6	0	0	0	0	110.1	Y60 V103 A106 S107 M122 F123 S124	Y60-T109 HydrophobicContact CE2-CG2 4.13Å; V103-T109 HydrophobicContact CB-CG2 4Å; V103-T109 HydrophobicContact CG1-CG2 4.46Å; V103-T109 HydrophobicContact CG2-CG2 3.71Å; V103-T109 PolarHBondContact N-O 3.27Å; V103-T109 VanDerWaalsContact N-O 3.07Å; A106-T109 HydrophobicContact CB-CG2 4.34Å; A106-T109 WeakPolarHBondContact O-CB 3.27Å; S107-T109 PolarHBondContact O-N 2.89Å; S107-T109 PolarHBondContact O-OG1 3.25Å; T109-M122 HydrophobicContact CG2-CG 3.79Å; T109-M122 HydrophobicContact CG2-SD 3.99Å; T109-F123 WeakPolarHBondContact CA-O 3.3Å; T109-F123 WeakPolarHBondContact CG2-O 3.04Å; T109-S124 WeakPolarHBondContact OG1-CB 3.39Å
110	F	98.1	Very high	95.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.5	-178.4	67.4	-84.8	0	0	0	111.5	L71 I101 I112 M122 F123 L131 L132	L71-F110 HydrophobicContact CD1-CE1 4.38Å; L71-F110 HydrophobicContact CD1-CZ 3.65Å; I101-F110 CarbonylContact O-C 3.58Å; I101-F110 VanDerWaalsContact O-CA 3.28Å; I101-F110 WeakPolarHBondContact O-CA 3.17Å; F110-I112 HydrophobicContact CD2-CG1 4.41Å; F110-I112 HydrophobicContact CE2-CD1 4.48Å; F110-I112 HydrophobicContact CE2-CG1 4.12Å; F110-M122 CarbonylContact O-C 3.56Å; F110-M122 WeakPolarHBondContact O-CA 3.38Å; F110-F123 HydrophobicContact CD1-CB 4.48Å; F110-F123 HydrophobicContact CE1-CB 3.91Å; F110-F123 HydrophobicContact CE2-CB 4.17Å; F110-F123 HydrophobicContact CE2-CD2 4.2Å; F110-F123 HydrophobicContact CZ-CB 3.75Å; F110-F123 HydrophobicContact CZ-CD2 4.46Å; F110-F123 HydrophobicContact CZ-CG 4.36Å; F110-F123 PolarHBondContact N-O 3.42Å; F110-F123 PolarHBondContact O-N 3.21Å; F110-F123 VanDerWaalsContact O-O 3.11Å; F110-L131 HydrophobicContact CE1-CD2 4.39Å; F110-L131 HydrophobicContact CE2-CD2 4.22Å; F110-L131 HydrophobicContact CZ-CD1 4.37Å; F110-L131 HydrophobicContact CZ-CD2 3.8Å; F110-L132 HydrophobicContact CB-CD1 4.11Å; F110-L132 HydrophobicContact CB-CD2 4.27Å; F110-L132 HydrophobicContact CD2-CD2 3.69Å; F110-L132 HydrophobicContact CE2-CD2 4.11Å; F110-L132 HydrophobicContact CG-CD1 4.5Å; F110-L132 HydrophobicContact CG-CD2 3.95Å; F110-L132 HydrophobicContact CG-CG 4.47Å
111	I	98.3	Very high	95.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.4	-177.8	-61.3	168.3	0	0	0	108.5	L100 I101 V103 L120 M122 V154 F159	L100-I111 WeakPolarHBondContact CA-O 3.37Å; I101-I111 HydrophobicContact CB-CB 4.27Å; I101-I111 PolarHBondContact N-O 3.34Å; I101-I111 PolarHBondContact O-N 2.6Å; V103-I111 HydrophobicContact CG2-CD1 3.86Å; V103-I111 HydrophobicContact CG2-CG1 3.87Å; I111-L120 HydrophobicContact CG2-CB 3.66Å; I111-L120 HydrophobicContact CG2-CD1 4.48Å; I111-L120 HydrophobicContact CG2-CD2 3.95Å; I111-L120 HydrophobicContact CG2-CG 4.23Å; I111-M122 HydrophobicContact CD1-SD 4.42Å; I111-M122 HydrophobicContact CG1-CB 3.94Å; I111-M122 HydrophobicContact CG1-CG 3.87Å; I111-M122 HydrophobicContact CG1-SD 4.19Å; I111-V154 HydrophobicContact CD1-CG2 3.83Å; I111-F159 HydrophobicContact CD1-CB 3.91Å; I111-F159 HydrophobicContact CD1-CD2 4.22Å; I111-F159 HydrophobicContact CD1-CG 4.45Å; I111-F159 HydrophobicContact CG1-CD2 4.35Å
112	I	98	Very high	95.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116.4	164.9	-54.4	176.7	0	0	0	107.5	I78 Y92 I97 L100 F110 H121 F123	I78-I112 HydrophobicContact CD1-CD1 3.69Å; I78-I112 HydrophobicContact CD1-CG1 4.43Å; Y92-I112 HydrophobicContact CD1-CD1 4.44Å; Y92-I112 HydrophobicContact CD2-CD1 4.09Å; Y92-I112 HydrophobicContact CG-CD1 4.01Å; I97-I112 HydrophobicContact CD1-CG2 4.15Å; I97-I112 HydrophobicContact CG1-CG2 3.87Å; I97-I112 HydrophobicContact CG2-CG2 4.15Å; L100-I112 HydrophobicContact CD2-CB 4.48Å; L100-I112 HydrophobicContact CD2-CG1 3.95Å; L100-I112 HydrophobicContact CD2-CG2 4.5Å; F110-I112 HydrophobicContact CD2-CG1 4.41Å; F110-I112 HydrophobicContact CE2-CD1 4.48Å; F110-I112 HydrophobicContact CE2-CG1 4.12Å; I112-H121 HydrophobicContact CB-CB 4.24Å; I112-H121 PolarHBondContact N-O 2.98Å; I112-H121 PolarHBondContact O-N 3.35Å; I112-F123 HydrophobicContact CD1-CD2 4.21Å; I112-F123 HydrophobicContact CD1-CE2 3.76Å; I112-F123 HydrophobicContact CG1-CD2 4.39Å; I112-F123 HydrophobicContact CG1-CE2 4.26Å
113	S	97.1	Very high	95.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	110.5	170.3	-174.2	0	0	0	0	108.9	A98 E99	A98-S113 WeakPolarHBondContact CB-O 3.19Å; A98-S113 PolarHBondContact N-O 2.86Å; E99-S113 WeakPolarHBondContact O-CB 3.31Å; E99-S113 PolarHBondContact O-N 3.23Å
114	H	94.6	Very high	95.5	Very high	33 Å²	33	36 Å²	36	15%	0.153	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.8	-170.8	-167.2	-78.8	0	0	0	111.8	D96 K118 R119	D96-H114 CarbonylContact O-C 3.46Å; D96-H114 WeakPolarHBondContact O-CA 3.15Å; H114-K118 CarbonylContact O-C 3.55Å; H114-K118 WeakPolarHBondContact O-CA 3.38Å; H114-K118 PolarHBondContact O-N 3.5Å; H114-R119 WeakPolarHBondContact CB-O 3.48Å; H114-R119 PolarHBondContact N-O 3.14Å; H114-R119 PolarHBondContact O-N 3.14Å
115	S	90.2	Very high	95.5	Very high	34 Å²	34	33 Å²	33	24%	0.238	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	159.8	173.8	-73.3	0	0	0	0	112.5	D96 A98	D96-S115 WeakPolarHBondContact O-CB 3.48Å; D96-S115 PolarHBondContact O-N 2.94Å; A98-S115 WeakPolarHBondContact CB-OG 3.22Å
116	P	87.7	Confident	95.3	Very high	80 Å²	80	34.1 Å²	34.1	52%	0.519	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86	-4.8	-3.6	31.9	-31.8	0	0	0	114
117	W	91.7	Very high	95.2	Very high	39 Å²	39	37.8 Å²	37.8	15%	0.148	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	16.8	-173.5	-44.5	-58.4	0	0	0	114.5	R119 G165 S166 Y167 K217 P218 S221	W117-R119 VanDerWaalsContact C-N 3.28Å; W117-R119 PolarHBondContact O-N 3.22Å; W117-G165 WeakPolarHBondContact O-CA 3.45Å; W117-S166 PolarHBondContact O-N 3.49Å; W117-S166 PolarHBondContact O-OG 3.02Å; W117-Y167 HydrophobicContact CB-CD2 4.03Å; W117-Y167 HydrophobicContact CB-CE2 4.02Å; W117-Y167 AromaticContact CD1-CE2 3.45Å; W117-Y167 VanDerWaalsContact CD1-CE2 3.45Å; W117-Y167 HydrophobicContact CG-CD2 4.1Å; W117-Y167 AromaticContact CG-CE2 3.7Å; W117-Y167 HydrophobicContact CG-CE2 3.7Å; W117-K217 HydrophobicContact CZ3-CG 4.45Å; W117-P218 HydrophobicContact CD2-CG 3.82Å; W117-P218 HydrophobicContact CE3-CG 4.46Å; W117-P218 HydrophobicContact CG-CG 4.12Å; W117-P218 HydrophobicContact CZ2-CG 4.05Å; W117-S221 VanDerWaalsContact CH2-CB 3.48Å
118	K	93.9	Very high	95.3	Very high	111 Å²	111	33.2 Å²	33.2	48%	0.483	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	41.6	176.7	-59	-171.3	176.6	-169	0	113.9	H114 L120 G165	H114-K118 CarbonylContact O-C 3.55Å; H114-K118 WeakPolarHBondContact O-CA 3.38Å; H114-K118 PolarHBondContact O-N 3.5Å; K118-L120 WeakPolarHBondContact O-CD2 3.2Å; K118-G165 WeakPolarHBondContact O-CA 3.41Å
119	R	94.6	Very high	95.2	Very high	35 Å²	35	32.9 Å²	32.9	13%	0.132	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	137.6	173.4	-78	169.8	42.1	158	3.3	109.5	W62 H114 W117 T215 L216	W62-R119 HydrophobicContact CH2-CB 4.44Å; W62-R119 HydrophobicContact CH2-CG 4.26Å; W62-R119 VanDerWaalsContact CH2-CZ 3.45Å; W62-R119 VanDerWaalsContact CH2-NE 3.34Å; W62-R119 VanDerWaalsContact CH2-NH2 3.31Å; W62-R119 HydrophobicContact CZ2-CB 4.34Å; H114-R119 WeakPolarHBondContact CB-O 3.48Å; H114-R119 PolarHBondContact N-O 3.14Å; H114-R119 PolarHBondContact O-N 3.14Å; W117-R119 VanDerWaalsContact C-N 3.28Å; W117-R119 PolarHBondContact O-N 3.22Å; R119-T215 VanDerWaalsContact CZ-OG1 3.31Å; R119-T215 PolarHBondContact NH1-OG1 3.25Å; R119-T215 PolarHBondContact NH2-OG1 2.99Å; R119-L216 PolarHBondContact NH1-O 2.93Å
120	L	96.8	Very high	95.1	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.4	-173.4	-50.3	-179	0	0	0	111.3	W62 I111 K118 Y158 F159 N162 R163	W62-L120 PolarHBondContact NE1-O 2.89Å; I111-L120 HydrophobicContact CG2-CB 3.66Å; I111-L120 HydrophobicContact CG2-CD1 4.48Å; I111-L120 HydrophobicContact CG2-CD2 3.95Å; I111-L120 HydrophobicContact CG2-CG 4.23Å; K118-L120 WeakPolarHBondContact O-CD2 3.2Å; L120-Y158 HydrophobicContact CD1-CD1 4.18Å; L120-Y158 HydrophobicContact CD1-CE1 3.78Å; L120-F159 HydrophobicContact CB-CD2 3.71Å; L120-F159 HydrophobicContact CB-CE2 3.86Å; L120-F159 HydrophobicContact CD1-CD2 4.4Å; L120-F159 WeakPolarHBondContact O-CE2 3.48Å; L120-N162 HydrophobicContact CD1-CB 4.14Å; L120-R163 PolarHBondContact N-O 2.68Å
121	H	97.3	Very high	95	Very high	20 Å²	20	37.4 Å²	37.4	9%	0.093	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	101	177.4	-71.3	-104	0	0	0	109.4	K59 W62 Y92 I112 F123	K59-H121 VanDerWaalsContact NZ-CA 3.3Å; W62-H121 AromaticContact CZ2-NE2 3.98Å; Y92-H121 HydrophobicContact CE1-CB 4.03Å; Y92-H121 AromaticContact CE1-CE1 3.88Å; Y92-H121 AromaticContact CE1-CG 3.65Å; Y92-H121 AromaticContact CE1-ND1 3.44Å; Y92-H121 WeakPolarHBondContact CE1-ND1 3.29Å; Y92-H121 AromaticContact CZ-ND1 3.8Å; Y92-H121 PolarHBondContact OH-ND1 2.91Å; I112-H121 HydrophobicContact CB-CB 4.24Å; I112-H121 PolarHBondContact N-O 2.98Å; I112-H121 PolarHBondContact O-N 3.35Å; H121-F123 HydrophobicContact CB-CE2 3.97Å; H121-F123 WeakPolarHBondContact O-CD2 3.41Å; H121-F123 WeakPolarHBondContact O-CE2 3.47Å
122	M	97.9	Very high	94.9	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	142.9	-177.6	-171.2	167	73.5	0	0	113.3	K59 Y60 V103 T109 F110 I111 M156 F159	K59-M122 WeakPolarHBondContact CD-O 3.15Å; K59-M122 WeakPolarHBondContact CE-O 3.4Å; K59-M122 VanDerWaalsContact NZ-N 3.14Å; K59-M122 PolarHBondContact NZ-O 3.35Å; Y60-M122 VanDerWaalsContact CB-CE 3.42Å; Y60-M122 HydrophobicContact CD1-CE 3.55Å; Y60-M122 HydrophobicContact CD2-CB 4.34Å; Y60-M122 HydrophobicContact CD2-CE 3.65Å; Y60-M122 HydrophobicContact CD2-CG 3.79Å; Y60-M122 HydrophobicContact CD2-SD 4.44Å; Y60-M122 HydrophobicContact CE1-CE 4.2Å; Y60-M122 HydrophobicContact CE2-CE 4.26Å; Y60-M122 HydrophobicContact CE2-CG 4.43Å; Y60-M122 HydrophobicContact CG-CE 3.24Å; Y60-M122 HydrophobicContact CG-CG 4.25Å; Y60-M122 PolarHBondContact N-O 3.47Å; V103-M122 HydrophobicContact CG2-SD 4.21Å; T109-M122 HydrophobicContact CG2-CG 3.79Å; T109-M122 HydrophobicContact CG2-SD 3.99Å; F110-M122 CarbonylContact O-C 3.56Å; F110-M122 WeakPolarHBondContact O-CA 3.38Å; I111-M122 HydrophobicContact CD1-SD 4.42Å; I111-M122 HydrophobicContact CG1-CB 3.94Å; I111-M122 HydrophobicContact CG1-CG 3.87Å; I111-M122 HydrophobicContact CG1-SD 4.19Å; M122-M156 HydrophobicContact CE-CE 3.39Å; M122-M156 HydrophobicContact CE-CG 3.8Å; M122-M156 HydrophobicContact CE-SD 4.45Å; M122-M156 HydrophobicContact SD-CG 4.12Å; M122-F159 HydrophobicContact CB-CD1 4.14Å; M122-F159 HydrophobicContact CB-CD2 3.67Å; M122-F159 HydrophobicContact CB-CE1 3.96Å; M122-F159 HydrophobicContact CB-CE2 3.46Å; M122-F159 VanDerWaalsContact CB-CE2 3.46Å; M122-F159 HydrophobicContact CB-CG 4Å; M122-F159 HydrophobicContact CB-CZ 3.61Å; M122-F159 HydrophobicContact CE-CD1 3.41Å; M122-F159 VanDerWaalsContact CE-CD1 3.41Å; M122-F159 HydrophobicContact CE-CE1 3.73Å; M122-F159 HydrophobicContact CE-CG 4.01Å; M122-F159 HydrophobicContact SD-CB 3.96Å; M122-F159 HydrophobicContact SD-CD1 3.84Å; M122-F159 HydrophobicContact SD-CD2 4.33Å; M122-F159 HydrophobicContact SD-CE1 4.44Å; M122-F159 HydrophobicContact SD-CG 3.77Å
123	F	98.4	Very high	94.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	157	178.5	-61.3	-92.2	0	0	0	110.5	C58 K59 V69 L71 Q80 Y92 T109 F110 I112 H121	C58-F123 CarbonylContact O-C 3.42Å; C58-F123 VanDerWaalsContact O-CA 3.22Å; C58-F123 WeakPolarHBondContact O-CA 3.47Å; K59-F123 HydrophobicContact CB-CD1 4.16Å; K59-F123 HydrophobicContact CB-CE1 4.1Å; K59-F123 HydrophobicContact CD-CD1 3.62Å; K59-F123 HydrophobicContact CD-CE1 3.13Å; K59-F123 HydrophobicContact CD-CE2 4.16Å; K59-F123 HydrophobicContact CD-CG 4.32Å; K59-F123 HydrophobicContact CD-CZ 3.45Å; K59-F123 VanDerWaalsContact CD-CZ 3.45Å; K59-F123 HydrophobicContact CG-CE1 4.2Å; K59-F123 VanDerWaalsContact NZ-CZ 3.3Å; V69-F123 HydrophobicContact CG2-CD1 4.3Å; V69-F123 HydrophobicContact CG2-CE1 4.37Å; L71-F123 HydrophobicContact CD1-CB 4.17Å; L71-F123 HydrophobicContact CD1-CD1 4.02Å; L71-F123 HydrophobicContact CD1-CG 4.09Å; L71-F123 HydrophobicContact CD2-CD1 3.94Å; L71-F123 HydrophobicContact CD2-CE1 3.7Å; L71-F123 HydrophobicContact CD2-CZ 4.24Å; L71-F123 HydrophobicContact CG-CD1 4.39Å; Q80-F123 HydrophobicContact CG-CE1 4.35Å; Y92-F123 HydrophobicContact CE2-CE2 4.23Å; Y92-F123 AromaticContact CE2-CZ 3.67Å; Y92-F123 HydrophobicContact CE2-CZ 3.67Å; Y92-F123 AromaticContact CZ-CZ 3.79Å; T109-F123 WeakPolarHBondContact CA-O 3.3Å; T109-F123 WeakPolarHBondContact CG2-O 3.04Å; F110-F123 HydrophobicContact CD1-CB 4.48Å; F110-F123 HydrophobicContact CE1-CB 3.91Å; F110-F123 HydrophobicContact CE2-CB 4.17Å; F110-F123 HydrophobicContact CE2-CD2 4.2Å; F110-F123 HydrophobicContact CZ-CB 3.75Å; F110-F123 HydrophobicContact CZ-CD2 4.46Å; F110-F123 HydrophobicContact CZ-CG 4.36Å; F110-F123 PolarHBondContact N-O 3.42Å; F110-F123 PolarHBondContact O-N 3.21Å; F110-F123 VanDerWaalsContact O-O 3.11Å; I112-F123 HydrophobicContact CD1-CD2 4.21Å; I112-F123 HydrophobicContact CD1-CE2 3.76Å; I112-F123 HydrophobicContact CG1-CD2 4.39Å; I112-F123 HydrophobicContact CG1-CE2 4.26Å; H121-F123 HydrophobicContact CB-CE2 3.97Å; H121-F123 WeakPolarHBondContact O-CD2 3.41Å; H121-F123 WeakPolarHBondContact O-CE2 3.47Å
124	S	97.7	Very high	94.7	Very high	22 Å²	22	45.8 Å²	45.8	15%	0.154	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.6	165.2	57.3	0	0	0	0	110.3	A57 C58 N108 T109	A57-S124 CarbonylContact C-O 3.53Å; A57-S124 VanDerWaalsContact CA-O 3.22Å; A57-S124 WeakPolarHBondContact CA-O 3.33Å; A57-S124 WeakPolarHBondContact CB-O 3.32Å; C58-S124 PolarHBondContact N-O 2.85Å; C58-S124 PolarHBondContact O-N 2.65Å; N108-S124 VanDerWaalsContact O-CA 3.23Å; N108-S124 WeakPolarHBondContact O-CA 3.43Å; T109-S124 WeakPolarHBondContact OG1-CB 3.39Å
125	C	96.3	Very high	94.8	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	152.6	174.9	68.9	0	0	0	0	110.4	W55 A56 A57 N108 S128	W55-C125 HydrophobicContact CB-CB 4.45Å; A56-C125 VanDerWaalsContact O-CB 3.25Å; A56-C125 WeakPolarHBondContact O-CB 3.34Å; A57-C125 HydrophobicContact CB-CB 3.69Å; N108-C125 WeakPolarHBondContact CB-O 3.48Å; N108-C125 PolarHBondContact O-N 3.18Å; C125-S128 PolarHBondContact O-N 3.08Å
126	D	92.4	Very high	95	Very high	121 Å²	121	46.8 Å²	46.8	65%	0.647	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	145.2	170.3	-62.3	-30.3	0	0	0	109.8	S128	D126-S128 PolarHBondContact O-N 3.29Å
127	N	91.4	Very high	95.4	Very high	100 Å²	100	47.3 Å²	47.3	54%	0.535	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	36.1	-175.9	-58.1	-17.1	0	0	0	114.1	S129 E130 L131	N127-S129 PolarHBondContact O-N 3.24Å; N127-E130 HydrophobicContact CB-CB 4.15Å; N127-E130 WeakPolarHBondContact O-CB 3.35Å; N127-E130 PolarHBondContact O-N 2.82Å; N127-L131 PolarHBondContact O-N 2.89Å
128	S	95.2	Very high	95.5	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.063	23%	0.225	C	C	.	.	H	α-helix	trans	-49.1	-36.8	178.4	63.2	0	0	0	0	114.1	N108 C125 D126 E130 L131 L132	N108-S128 WeakPolarHBondContact CA-OG 3.47Å; C125-S128 PolarHBondContact O-N 3.08Å; D126-S128 PolarHBondContact O-N 3.29Å; S128-E130 VanDerWaalsContact C-N 3.32Å; S128-E130 PolarHBondContact O-N 3.22Å; S128-L131 PolarHBondContact O-N 3.04Å; S128-L132 VanDerWaalsContact O-CG 3.25Å; S128-L132 WeakPolarHBondContact O-CG 3.34Å; S128-L132 PolarHBondContact O-N 2.58Å
129	S	94.2	Very high	95.5	Very high	63 Å²	63	40.4 Å²	40.4	44%	0.441	20%	0.202	S	C	.	.	H	α-helix	trans	-59.8	-39.9	175.6	-63.8	0	0	0	0	112.9	N127 L132 E133	N127-S129 PolarHBondContact O-N 3.24Å; S129-L132 PolarHBondContact O-N 3.35Å; S129-E133 PolarHBondContact O-N 3.06Å
130	E	95	Very high	95.5	Very high	103 Å²	103	46.6 Å²	46.6	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-67.7	-43.3	177.1	-173.1	-173.8	170	0	0	111	N127 S128 L132 E133 R134	N127-E130 HydrophobicContact CB-CB 4.15Å; N127-E130 WeakPolarHBondContact O-CB 3.35Å; N127-E130 PolarHBondContact O-N 2.82Å; S128-E130 VanDerWaalsContact C-N 3.32Å; S128-E130 PolarHBondContact O-N 3.22Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 3.46Å; E130-E133 PolarHBondContact O-N 3.25Å; E130-R134 VanDerWaalsContact O-CB 3.29Å; E130-R134 WeakPolarHBondContact O-CB 3.23Å; E130-R134 PolarHBondContact O-N 2.76Å
131	L	95.9	Very high	95.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58	-47.4	173.8	-179.5	157	0	0	0	110.8	W55 L71 V73 F110 N127 S128 R134 V135	W55-L131 HydrophobicContact CB-CD1 3.88Å; W55-L131 HydrophobicContact CD2-CB 4.07Å; W55-L131 HydrophobicContact CD2-CD1 3.78Å; W55-L131 HydrophobicContact CD2-CG 4.14Å; W55-L131 HydrophobicContact CE3-CD1 3.91Å; W55-L131 HydrophobicContact CE3-CG 4.18Å; W55-L131 HydrophobicContact CG-CB 4.34Å; W55-L131 HydrophobicContact CG-CD1 3.74Å; W55-L131 HydrophobicContact CG-CG 4.5Å; W55-L131 HydrophobicContact CZ2-CB 4.42Å; L71-L131 HydrophobicContact CB-CD1 4.03Å; L71-L131 HydrophobicContact CD1-CD1 3.96Å; V73-L131 HydrophobicContact CG2-CG 4.22Å; F110-L131 HydrophobicContact CE1-CD2 4.39Å; F110-L131 HydrophobicContact CE2-CD2 4.22Å; F110-L131 HydrophobicContact CZ-CD1 4.37Å; F110-L131 HydrophobicContact CZ-CD2 3.8Å; N127-L131 PolarHBondContact O-N 2.89Å; S128-L131 PolarHBondContact O-N 3.04Å; L131-R134 PolarHBondContact O-N 3.39Å; L131-V135 HydrophobicContact CD2-CG2 3.96Å; L131-V135 VanDerWaalsContact O-CG2 3.28Å; L131-V135 WeakPolarHBondContact O-CG2 3.37Å; L131-V135 PolarHBondContact O-N 2.88Å
132	L	96.9	Very high	95.2	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-44.5	-178.8	-68.4	-178.8	0	0	0	112.3	L100 K102 F110 S128 S129 E130 V135 K136 I149	L100-L132 HydrophobicContact CB-CD2 3.95Å; L100-L132 HydrophobicContact CD1-CD2 3.95Å; L100-L132 HydrophobicContact CD2-CD2 4.12Å; L100-L132 HydrophobicContact CG-CD2 4.22Å; K102-L132 HydrophobicContact CG-CD1 4.23Å; F110-L132 HydrophobicContact CB-CD1 4.11Å; F110-L132 HydrophobicContact CB-CD2 4.27Å; F110-L132 HydrophobicContact CD2-CD2 3.69Å; F110-L132 HydrophobicContact CE2-CD2 4.11Å; F110-L132 HydrophobicContact CG-CD1 4.5Å; F110-L132 HydrophobicContact CG-CD2 3.95Å; F110-L132 HydrophobicContact CG-CG 4.47Å; S128-L132 VanDerWaalsContact O-CG 3.25Å; S128-L132 WeakPolarHBondContact O-CG 3.34Å; S128-L132 PolarHBondContact O-N 2.58Å; S129-L132 PolarHBondContact O-N 3.35Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 3.46Å; L132-V135 PolarHBondContact O-N 3.4Å; L132-K136 WeakPolarHBondContact O-CB 3.47Å; L132-K136 PolarHBondContact O-N 3.15Å; L132-I149 HydrophobicContact CB-CD1 3.94Å; L132-I149 HydrophobicContact CB-CG1 4.44Å
133	E	95.8	Very high	94.9	Very high	88 Å²	88	58.9 Å²	58.9	41%	0.411	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-39.9	175	-71.7	-58.6	152.6	0	0	111.3	S129 E130 V135 K136 M137 I149	S129-E133 PolarHBondContact O-N 3.06Å; E130-E133 PolarHBondContact O-N 3.25Å; E133-V135 VanDerWaalsContact C-N 3.34Å; E133-V135 PolarHBondContact O-N 2.96Å; E133-K136 PolarHBondContact O-N 3.34Å; E133-K136 IonicContact OE2-NZ 3.13Å; E133-M137 WeakPolarHBondContact O-CG 3.16Å; E133-M137 PolarHBondContact O-N 3.46Å; E133-I149 HydrophobicContact CG-CD1 4.49Å; E133-I149 WeakPolarHBondContact OE1-CD1 3.46Å
134	R	95	Very high	94.6	Very high	88 Å²	88	61.7 Å²	61.7	33%	0.332	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-42.9	175.1	177.7	62	73.7	146.6	7.8	112	L53 W55 V73 E130 L131 M137 S138	L53-R134 HydrophobicContact CD2-CG 3.92Å; W55-R134 HydrophobicContact CH2-CB 4.32Å; W55-R134 HydrophobicContact CH2-CG 4.07Å; V73-R134 HydrophobicContact CB-CG 4.33Å; V73-R134 HydrophobicContact CG1-CG 3.97Å; E130-R134 VanDerWaalsContact O-CB 3.29Å; E130-R134 WeakPolarHBondContact O-CB 3.23Å; E130-R134 PolarHBondContact O-N 2.76Å; L131-R134 PolarHBondContact O-N 3.39Å; R134-M137 PolarHBondContact O-N 3.45Å; R134-S138 VanDerWaalsContact O-CB 3.22Å; R134-S138 WeakPolarHBondContact O-CB 3.46Å; R134-S138 PolarHBondContact O-N 2.86Å; R134-S138 PolarHBondContact O-OG 3.19Å
135	V	96.1	Very high	94.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-48	175.2	164.9	0	0	0	0	110.6	V73 I78 Y94 L100 L131 L132 E133 M137 S138 S139	V73-V135 HydrophobicContact CG1-CG2 3.95Å; V73-V135 HydrophobicContact CG2-CG2 3.7Å; I78-V135 HydrophobicContact CD1-CB 4.45Å; I78-V135 HydrophobicContact CD1-CG1 3.95Å; I78-V135 HydrophobicContact CD1-CG2 3.65Å; I78-V135 HydrophobicContact CG1-CG1 4.24Å; I78-V135 HydrophobicContact CG1-CG2 3.61Å; Y94-V135 HydrophobicContact CD1-CG1 4.19Å; Y94-V135 HydrophobicContact CE1-CG1 3.84Å; L100-V135 HydrophobicContact CD1-CB 4.31Å; L100-V135 HydrophobicContact CD1-CG1 3.71Å; L131-V135 HydrophobicContact CD2-CG2 3.96Å; L131-V135 VanDerWaalsContact O-CG2 3.28Å; L131-V135 WeakPolarHBondContact O-CG2 3.37Å; L131-V135 PolarHBondContact O-N 2.88Å; L132-V135 PolarHBondContact O-N 3.4Å; E133-V135 VanDerWaalsContact C-N 3.34Å; E133-V135 PolarHBondContact O-N 2.96Å; V135-M137 PolarHBondContact O-N 2.93Å; V135-S138 PolarHBondContact O-N 2.83Å; V135-S139 VanDerWaalsContact O-CB 3.27Å; V135-S139 WeakPolarHBondContact O-CB 3.19Å; V135-S139 PolarHBondContact O-N 3.41Å; V135-S139 PolarHBondContact O-OG 3.19Å
136	K	95.8	Very high	94.1	Very high	87 Å²	87	66.4 Å²	66.4	38%	0.378	36%	0.356	S	S	.	.	H	α-helix	trans	-57.8	-49.4	178.1	176.8	178.7	166.7	-157.9	0	111.4	L132 E133 S139 Y140 I149	L132-K136 WeakPolarHBondContact O-CB 3.47Å; L132-K136 PolarHBondContact O-N 3.15Å; E133-K136 PolarHBondContact O-N 3.34Å; E133-K136 IonicContact OE2-NZ 3.13Å; K136-S139 PolarHBondContact O-N 2.91Å; K136-S139 PolarHBondContact O-OG 3.3Å; K136-Y140 PolarHBondContact O-N 2.93Å; K136-I149 HydrophobicContact CB-CD1 4.33Å; K136-I149 HydrophobicContact CD-CD1 3.92Å; K136-I149 HydrophobicContact CD-CG1 4.28Å
137	M	94.5	Very high	94.2	Very high	91 Å²	91	60.8 Å²	60.8	45%	0.448	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-51.6	175.9	-67.2	-58.3	-60.4	0	0	111.8	E133 R134 V135 S139 Y140 E141	E133-M137 WeakPolarHBondContact O-CG 3.16Å; E133-M137 PolarHBondContact O-N 3.46Å; R134-M137 PolarHBondContact O-N 3.45Å; V135-M137 PolarHBondContact O-N 2.93Å; M137-S139 VanDerWaalsContact C-N 3.28Å; M137-S139 PolarHBondContact O-N 3.31Å; M137-Y140 PolarHBondContact O-N 3.36Å; M137-Y140 VanDerWaalsContact O-N 3.14Å; M137-E141 WeakPolarHBondContact CE-OE1 3.38Å; M137-E141 WeakPolarHBondContact O-CB 3.38Å; M137-E141 WeakPolarHBondContact O-CG 3.44Å; M137-E141 PolarHBondContact O-N 3.23Å
138	S	93.7	Very high	94.4	Very high	5 Å²	5	61.5 Å²	61.5	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-34.1	-177.1	-61.9	0	0	0	0	112.6	R134 V135 N142	R134-S138 VanDerWaalsContact O-CB 3.22Å; R134-S138 WeakPolarHBondContact O-CB 3.46Å; R134-S138 PolarHBondContact O-N 2.86Å; R134-S138 PolarHBondContact O-OG 3.19Å; V135-S138 PolarHBondContact O-N 2.83Å; S138-N142 VanDerWaalsContact O-CB 3.27Å; S138-N142 WeakPolarHBondContact O-CB 2.98Å; S138-N142 PolarHBondContact O-N 3.46Å; S138-N142 VanDerWaalsContact O-N 3.1Å; S138-N142 PolarHBondContact O-ND2 2.89Å
139	S	94.8	Very high	94.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.8	-38.8	177	66.4	0	0	0	0	113	Y94 V135 K136 M137 V143 G144 V145 C147	Y94-S139 VanDerWaalsContact CD2-CA 3.45Å; Y94-S139 VanDerWaalsContact CG-CB 3.49Å; V135-S139 VanDerWaalsContact O-CB 3.27Å; V135-S139 WeakPolarHBondContact O-CB 3.19Å; V135-S139 PolarHBondContact O-N 3.41Å; V135-S139 PolarHBondContact O-OG 3.19Å; K136-S139 PolarHBondContact O-N 2.91Å; K136-S139 PolarHBondContact O-OG 3.3Å; M137-S139 VanDerWaalsContact C-N 3.28Å; M137-S139 PolarHBondContact O-N 3.31Å; S139-V143 PolarHBondContact O-N 2.66Å; S139-G144 PolarHBondContact O-N 3.27Å; S139-G144 VanDerWaalsContact O-N 3.16Å; S139-V145 CarbonylContact C-O 3.56Å; S139-V145 VanDerWaalsContact CB-O 3.23Å; S139-V145 WeakPolarHBondContact CB-O 3.36Å; S139-V145 PolarHBondContact O-N 2.77Å; S139-V145 VanDerWaalsContact O-O 3.13Å; S139-V145 PolarHBondContact OG-O 3.25Å; S139-C147 WeakPolarHBondContact CB-SG 3.47Å; S139-C147 VanDerWaalsContact OG-CB 3.32Å; S139-C147 WeakPolarHBondContact OG-CB 3.48Å; S139-C147 PolarHBondContact OG-N 3.26Å; S139-C147 PolarHBondContact OG-SG 3.29Å
140	Y	94.9	Very high	94.4	Very high	166 Å²	166	60.4 Å²	60.4	65%	0.651	31%	0.314	S	S	*	.	H	α-helix	trans	-76.9	-49.4	178.9	-177.9	-101	0	0	0	111.2	K136 M137 G144 V145	K136-Y140 PolarHBondContact O-N 2.93Å; M137-Y140 PolarHBondContact O-N 3.36Å; M137-Y140 VanDerWaalsContact O-N 3.14Å; Y140-G144 VanDerWaalsContact O-CA 3.23Å; Y140-G144 WeakPolarHBondContact O-CA 3.2Å; Y140-G144 PolarHBondContact O-N 3.45Å; Y140-V145 PolarHBondContact N-O 3.31Å
141	E	94.2	Very high	94.4	Very high	124 Å²	124	61.8 Å²	61.8	58%	0.579	33%	0.33	S	S	*	.	H	α-helix	trans	-67.2	-39.3	-174.5	-69.5	173.5	165.8	0	0	113.2	M137	M137-E141 WeakPolarHBondContact CE-OE1 3.38Å; M137-E141 WeakPolarHBondContact O-CB 3.38Å; M137-E141 WeakPolarHBondContact O-CG 3.44Å; M137-E141 PolarHBondContact O-N 3.23Å
142	N	92.7	Very high	94.3	Very high	94 Å²	94	68.8 Å²	68.8	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-98.2	-28.2	-172.4	-60.1	-57.3	0	0	0	114	S75 S138	S75-N142 WeakPolarHBondContact O-CB 3.48Å; S138-N142 VanDerWaalsContact O-CB 3.27Å; S138-N142 WeakPolarHBondContact O-CB 2.98Å; S138-N142 PolarHBondContact O-N 3.46Å; S138-N142 VanDerWaalsContact O-N 3.1Å; S138-N142 PolarHBondContact O-ND2 2.89Å
143	V	91.4	Very high	94.2	Very high	68 Å²	68	71.7 Å²	71.7	41%	0.412	38%	0.384	S	S	.	.	H	α-helix	trans	-121.8	-16	-174.8	-167	0	0	0	0	112.4	S75 Y94 S139 V145	S75-V143 VanDerWaalsContact O-CG2 3.26Å; S75-V143 WeakPolarHBondContact O-CG2 3.17Å; Y94-V143 HydrophobicContact CD2-CG2 3.85Å; S139-V143 PolarHBondContact O-N 2.66Å; V143-V145 VanDerWaalsContact C-N 3.32Å; V143-V145 HydrophobicContact CB-CG2 4.36Å; V143-V145 HydrophobicContact CG1-CG2 3.88Å
144	G	93.7	Very high	94.3	Very high	58 Å²	58	68.6 Å²	68.6	60%	0.598	37%	0.371	S	S	*	.			trans	73.8	21.3	-174	0	0	0	0	0	113.8	S139 Y140	S139-G144 PolarHBondContact O-N 3.27Å; S139-G144 VanDerWaalsContact O-N 3.16Å; Y140-G144 VanDerWaalsContact O-CA 3.23Å; Y140-G144 WeakPolarHBondContact O-CA 3.2Å; Y140-G144 PolarHBondContact O-N 3.45Å
145	V	92.4	Very high	94.4	Very high	42 Å²	42	66.8 Å²	66.8	26%	0.255	37%	0.37	S	S	.	.			trans	-105.9	128.1	179	175.5	0	0	0	0	109.7	K95 S139 Y140 V143 C147	K95-V145 HydrophobicContact CB-CG2 4.43Å; S139-V145 CarbonylContact C-O 3.56Å; S139-V145 VanDerWaalsContact CB-O 3.23Å; S139-V145 WeakPolarHBondContact CB-O 3.36Å; S139-V145 PolarHBondContact O-N 2.77Å; S139-V145 VanDerWaalsContact O-O 3.13Å; S139-V145 PolarHBondContact OG-O 3.25Å; Y140-V145 PolarHBondContact N-O 3.31Å; V143-V145 VanDerWaalsContact C-N 3.32Å; V143-V145 HydrophobicContact CB-CG2 4.36Å; V143-V145 HydrophobicContact CG1-CG2 3.88Å; V145-C147 PolarHBondContact O-N 3.01Å
146	A	90.7	Very high	94.4	Very high	85 Å²	85	68.3 Å²	68.3	70%	0.702	38%	0.378	S	S	*	.			trans	-85.9	89.9	177.3	0	0	0	0	0	111.5	K148	A146-K148 PolarHBondContact O-N 2.94Å; A146-K148 VanDerWaalsContact O-N 3.16Å
147	C	93.8	Very high	94.4	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.02	38%	0.382	C	S	.	.			trans	-66.5	114.1	171.4	-72.5	0	0	0	0	110.6	L100 S139 V145	L100-C147 HydrophobicContact CD1-CB 4.45Å; S139-C147 WeakPolarHBondContact CB-SG 3.47Å; S139-C147 VanDerWaalsContact OG-CB 3.32Å; S139-C147 WeakPolarHBondContact OG-CB 3.48Å; S139-C147 PolarHBondContact OG-N 3.26Å; S139-C147 PolarHBondContact OG-SG 3.29Å; V145-C147 PolarHBondContact O-N 3.01Å
148	K	94.8	Very high	94.4	Very high	116 Å²	116	67.7 Å²	67.7	50%	0.504	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-79.2	128.3	179.5	-176	-176.6	176.8	-168.6	0	111	E99 L100 A146	E99-K148 CarbonylContact C-O 3.52Å; E99-K148 WeakPolarHBondContact CA-O 3.46Å; L100-K148 PolarHBondContact N-O 3.4Å; A146-K148 PolarHBondContact O-N 2.94Å; A146-K148 VanDerWaalsContact O-N 3.16Å
149	I	96.2	Very high	94.5	Very high	30 Å²	30	67.8 Å²	67.8	15%	0.154	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-86.7	121.9	161	-58	170.1	0	0	0	107.1	L100 L132 E133 K136	L100-I149 HydrophobicContact CB-CG1 4.38Å; L100-I149 HydrophobicContact CD1-CG1 4.2Å; L100-I149 CarbonylContact O-C 3.55Å; L100-I149 WeakPolarHBondContact O-CA 3.29Å; L132-I149 HydrophobicContact CB-CD1 3.94Å; L132-I149 HydrophobicContact CB-CG1 4.44Å; E133-I149 HydrophobicContact CG-CD1 4.49Å; E133-I149 WeakPolarHBondContact OE1-CD1 3.46Å; K136-I149 HydrophobicContact CB-CD1 4.33Å; K136-I149 HydrophobicContact CD-CD1 3.92Å; K136-I149 HydrophobicContact CD-CG1 4.28Å
150	S	94.9	Very high	94.4	Very high	18 Å²	18	75.3 Å²	75.3	13%	0.126	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-61.2	136.1	178.7	-178.9	0	0	0	0	110.7	L100 E152	L100-S150 PolarHBondContact O-N 2.93Å; S150-E152 VanDerWaalsContact C-N 3.3Å; S150-E152 WeakPolarHBondContact CB-O 3.3Å; S150-E152 PolarHBondContact OG-N 3.3Å; S150-E152 VanDerWaalsContact OG-N 3.15Å; S150-E152 PolarHBondContact OG-O 3.03Å
151	T	93.4	Very high	94.3	Very high	133 Å²	133	71.7 Å²	71.7	82%	0.816	40%	0.402	S	S	*	.	S	Bend	trans	-72.6	-28.7	170.9	47.8	0	0	0	0	111.6
152	E	93.9	Very high	94.4	Very high	146 Å²	146	68.1 Å²	68.1	68%	0.682	39%	0.387	S	S	*	.	S	Bend	trans	-92.5	135.6	177.7	-64.2	179.3	-175.9	0	0	110.2	S150	S150-E152 VanDerWaalsContact C-N 3.3Å; S150-E152 WeakPolarHBondContact CB-O 3.3Å; S150-E152 PolarHBondContact OG-N 3.3Å; S150-E152 VanDerWaalsContact OG-N 3.15Å; S150-E152 PolarHBondContact OG-O 3.03Å
153	S	95.7	Very high	94.5	Very high	64 Å²	64	66 Å²	66	45%	0.448	37%	0.372	S	S	.	.			trans	-98.6	151.9	170.5	58.2	0	0	0	0	110.6	K102 S104	K102-S153 WeakPolarHBondContact O-CA 3.29Å; K102-S153 VanDerWaalsContact O-CB 3.3Å; K102-S153 WeakPolarHBondContact O-CB 3.43Å; S104-S153 WeakPolarHBondContact CB-OG 3.25Å
154	V	97.2	Very high	94.6	Very high	23 Å²	23	62.9 Å²	62.9	14%	0.139	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-123.2	148.9	-179.4	-59.6	0	0	0	0	110.6	I101 K102 V103 S104 I111 Y158	I101-V154 HydrophobicContact CG2-CB 4.44Å; I101-V154 HydrophobicContact CG2-CG1 4.06Å; I101-V154 HydrophobicContact CG2-CG2 3.72Å; K102-V154 PolarHBondContact O-N 3.11Å; K102-V154 VanDerWaalsContact O-N 3.08Å; V103-V154 CarbonylContact C-O 3.58Å; V103-V154 VanDerWaalsContact CA-O 3.22Å; V103-V154 WeakPolarHBondContact CA-O 3.43Å; S104-V154 PolarHBondContact N-O 3.45Å; S104-V154 PolarHBondContact OG-O 3.38Å; I111-V154 HydrophobicContact CD1-CG2 3.83Å; V154-Y158 HydrophobicContact CB-CD1 3.9Å; V154-Y158 HydrophobicContact CB-CG 4.03Å; V154-Y158 HydrophobicContact CG1-CD1 4.15Å; V154-Y158 HydrophobicContact CG1-CE1 4.39Å; V154-Y158 HydrophobicContact CG1-CG 4.38Å; V154-Y158 HydrophobicContact CG2-CD1 3.73Å; V154-Y158 HydrophobicContact CG2-CE1 4.42Å; V154-Y158 HydrophobicContact CG2-CG 4.3Å
155	P	97.4	Very high	94.7	Very high	50 Å²	50	60.8 Å²	60.8	33%	0.325	33%	0.331	S	S	.	.			trans	-72.5	159.1	176.2	29.9	-35.4	0	0	0	111.7	S104 D105 S157 Y158	S104-P155 WeakPolarHBondContact OG-CA 3.32Å; D105-P155 WeakPolarHBondContact OD1-CA 3.49Å; P155-S157 PolarHBondContact O-N 3.36Å; P155-Y158 WeakPolarHBondContact O-CB 3.48Å; P155-Y158 PolarHBondContact O-N 2.99Å
156	M	95.4	Very high	94.7	Very high	31 Å²	31	62.5 Å²	62.5	15%	0.153	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-29.6	178.3	-163.3	-167.1	-151.2	0	0	112.1	Y60 V103 D105 M122 Y158 F159 R160	Y60-M156 HydrophobicContact CD1-CE 3.46Å; Y60-M156 VanDerWaalsContact CD1-CE 3.46Å; Y60-M156 HydrophobicContact CE1-CE 3.12Å; Y60-M156 HydrophobicContact CG-CE 4.34Å; V103-M156 HydrophobicContact CG1-CB 4.26Å; D105-M156 VanDerWaalsContact CG-N 3.33Å; D105-M156 PolarHBondContact OD1-N 2.6Å; D105-M156 PolarHBondContact OD2-N 3.07Å; D105-M156 VanDerWaalsContact OD2-N 3.14Å; M122-M156 HydrophobicContact CE-CE 3.39Å; M122-M156 HydrophobicContact CE-CG 3.8Å; M122-M156 HydrophobicContact CE-SD 4.45Å; M122-M156 HydrophobicContact SD-CG 4.12Å; M156-Y158 VanDerWaalsContact C-N 3.26Å; M156-Y158 PolarHBondContact O-N 3.42Å; M156-F159 WeakPolarHBondContact O-CB 3.28Å; M156-F159 PolarHBondContact O-N 3.24Å; M156-R160 PolarHBondContact O-N 3.09Å
157	S	95.7	Very high	94.9	Very high	66 Å²	66	60.3 Å²	60.3	46%	0.462	32%	0.319	S	S	.	.	H	α-helix	trans	-59.7	-36.2	173.3	59.5	0	0	0	0	112.3	P155 F159 R160 V161	P155-S157 PolarHBondContact O-N 3.36Å; S157-F159 VanDerWaalsContact C-N 3.34Å; S157-F159 PolarHBondContact O-N 2.89Å; S157-R160 PolarHBondContact O-N 3.22Å; S157-V161 WeakPolarHBondContact O-CG2 3.43Å; S157-V161 PolarHBondContact O-N 3.25Å; S157-V161 VanDerWaalsContact O-N 3.1Å
158	Y	96.3	Very high	94.8	Very high	100 Å²	100	62.3 Å²	62.3	39%	0.392	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-43.6	175.5	177.7	-92.1	0	0	0	111.3	L120 V154 P155 M156 R160 V161 N162	L120-Y158 HydrophobicContact CD1-CD1 4.18Å; L120-Y158 HydrophobicContact CD1-CE1 3.78Å; V154-Y158 HydrophobicContact CB-CD1 3.9Å; V154-Y158 HydrophobicContact CB-CG 4.03Å; V154-Y158 HydrophobicContact CG1-CD1 4.15Å; V154-Y158 HydrophobicContact CG1-CE1 4.39Å; V154-Y158 HydrophobicContact CG1-CG 4.38Å; V154-Y158 HydrophobicContact CG2-CD1 3.73Å; V154-Y158 HydrophobicContact CG2-CE1 4.42Å; V154-Y158 HydrophobicContact CG2-CG 4.3Å; P155-Y158 WeakPolarHBondContact O-CB 3.48Å; P155-Y158 PolarHBondContact O-N 2.99Å; M156-Y158 VanDerWaalsContact C-N 3.26Å; M156-Y158 PolarHBondContact O-N 3.42Å; Y158-R160 PolarHBondContact O-N 3.42Å; Y158-V161 PolarHBondContact O-N 3.35Å; Y158-N162 WeakPolarHBondContact CD2-ND2 3.28Å; Y158-N162 HydrophobicContact CE1-CB 4.23Å; Y158-N162 HydrophobicContact CE2-CB 4.4Å; Y158-N162 VanDerWaalsContact CE2-ND2 3.25Å; Y158-N162 WeakPolarHBondContact CE2-ND2 3.36Å; Y158-N162 WeakPolarHBondContact O-CB 3.25Å; Y158-N162 PolarHBondContact O-N 3.27Å; Y158-N162 PolarHBondContact O-ND2 3.44Å; Y158-N162 VanDerWaalsContact O-ND2 3.16Å
159	F	95.7	Very high	94.7	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-59.8	-47.2	175.2	171.9	-100.5	0	0	0	111.5	W62 I111 L120 M122 M156 S157 V161 N162 R163	W62-F159 AromaticContact CD1-CZ 3.9Å; I111-F159 HydrophobicContact CD1-CB 3.91Å; I111-F159 HydrophobicContact CD1-CD2 4.22Å; I111-F159 HydrophobicContact CD1-CG 4.45Å; I111-F159 HydrophobicContact CG1-CD2 4.35Å; L120-F159 HydrophobicContact CB-CD2 3.71Å; L120-F159 HydrophobicContact CB-CE2 3.86Å; L120-F159 HydrophobicContact CD1-CD2 4.4Å; L120-F159 WeakPolarHBondContact O-CE2 3.48Å; M122-F159 HydrophobicContact CB-CD1 4.14Å; M122-F159 HydrophobicContact CB-CD2 3.67Å; M122-F159 HydrophobicContact CB-CE1 3.96Å; M122-F159 HydrophobicContact CB-CE2 3.46Å; M122-F159 VanDerWaalsContact CB-CE2 3.46Å; M122-F159 HydrophobicContact CB-CG 4Å; M122-F159 HydrophobicContact CB-CZ 3.61Å; M122-F159 HydrophobicContact CE-CD1 3.41Å; M122-F159 VanDerWaalsContact CE-CD1 3.41Å; M122-F159 HydrophobicContact CE-CE1 3.73Å; M122-F159 HydrophobicContact CE-CG 4.01Å; M122-F159 HydrophobicContact SD-CB 3.96Å; M122-F159 HydrophobicContact SD-CD1 3.84Å; M122-F159 HydrophobicContact SD-CD2 4.33Å; M122-F159 HydrophobicContact SD-CE1 4.44Å; M122-F159 HydrophobicContact SD-CG 3.77Å; M156-F159 WeakPolarHBondContact O-CB 3.28Å; M156-F159 PolarHBondContact O-N 3.24Å; S157-F159 VanDerWaalsContact C-N 3.34Å; S157-F159 PolarHBondContact O-N 2.89Å; F159-V161 VanDerWaalsContact C-N 3.3Å; F159-V161 PolarHBondContact O-N 2.86Å; F159-N162 PolarHBondContact O-N 3.22Å; F159-R163 HydrophobicContact CD2-CB 4.43Å; F159-R163 HydrophobicContact CE2-CB 4.13Å; F159-R163 HydrophobicContact CZ-CB 4.28Å; F159-R163 WeakPolarHBondContact O-CA 3.48Å; F159-R163 VanDerWaalsContact O-CB 3.24Å; F159-R163 WeakPolarHBondContact O-CB 3.29Å; F159-R163 PolarHBondContact O-N 3.35Å
160	R	92.5	Very high	94.5	Very high	159 Å²	159	65.1 Å²	65.1	60%	0.6	35%	0.348	S	S	*	.	H	α-helix	trans	-58.7	-43.8	-178.4	-67.4	179.9	-174.1	174.1	3.5	111.5	M156 S157 Y158 R163	M156-R160 PolarHBondContact O-N 3.09Å; S157-R160 PolarHBondContact O-N 3.22Å; Y158-R160 PolarHBondContact O-N 3.42Å; R160-R163 PolarHBondContact O-NH1 3.39Å
161	V	93.1	Very high	94.4	Very high	90 Å²	90	68.7 Å²	68.7	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-71.7	-47.7	179	178	0	0	0	0	110.8	S157 Y158 F159 N168	S157-V161 WeakPolarHBondContact O-CG2 3.43Å; S157-V161 PolarHBondContact O-N 3.25Å; S157-V161 VanDerWaalsContact O-N 3.1Å; Y158-V161 PolarHBondContact O-N 3.35Å; F159-V161 VanDerWaalsContact C-N 3.3Å; F159-V161 PolarHBondContact O-N 2.86Å; V161-N168 PolarHBondContact O-ND2 2.93Å; V161-N168 PolarHBondContact O-OD1 3.4Å
162	N	95.1	Very high	94.4	Very high	48 Å²	48	63.7 Å²	63.7	26%	0.257	33%	0.33	S	S	.	.	H	α-helix	trans	-102.3	11	-166.2	-61.5	-66.9	0	0	0	115.4	L120 Y158 F159 L164 G165	L120-N162 HydrophobicContact CD1-CB 4.14Å; Y158-N162 WeakPolarHBondContact CD2-ND2 3.28Å; Y158-N162 HydrophobicContact CE1-CB 4.23Å; Y158-N162 HydrophobicContact CE2-CB 4.4Å; Y158-N162 VanDerWaalsContact CE2-ND2 3.25Å; Y158-N162 WeakPolarHBondContact CE2-ND2 3.36Å; Y158-N162 WeakPolarHBondContact O-CB 3.25Å; Y158-N162 PolarHBondContact O-N 3.27Å; Y158-N162 PolarHBondContact O-ND2 3.44Å; Y158-N162 VanDerWaalsContact O-ND2 3.16Å; F159-N162 PolarHBondContact O-N 3.22Å; N162-L164 PolarHBondContact O-N 2.98Å; N162-G165 PolarHBondContact O-N 3.42Å
163	R	94.6	Very high	94.5	Very high	51 Å²	51	58.2 Å²	58.2	19%	0.192	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-28.8	-176	63.9	-163.8	-170.8	-67.7	-2.5	115.5	W62 L120 F159 R160 G165	W62-R163 HydrophobicContact CD2-CG 4.49Å; W62-R163 HydrophobicContact CG-CB 4.45Å; W62-R163 HydrophobicContact CG-CG 4.26Å; W62-R163 WeakPolarHBondContact CZ2-O 3.35Å; W62-R163 PolarHBondContact O-NE 3.38Å; L120-R163 PolarHBondContact N-O 2.68Å; F159-R163 HydrophobicContact CD2-CB 4.43Å; F159-R163 HydrophobicContact CE2-CB 4.13Å; F159-R163 HydrophobicContact CZ-CB 4.28Å; F159-R163 WeakPolarHBondContact O-CA 3.48Å; F159-R163 VanDerWaalsContact O-CB 3.24Å; F159-R163 WeakPolarHBondContact O-CB 3.29Å; F159-R163 PolarHBondContact O-N 3.35Å; R160-R163 PolarHBondContact O-NH1 3.39Å; R163-G165 VanDerWaalsContact C-N 3.29Å; R163-G165 PolarHBondContact O-N 2.79Å
164	L	94	Very high	94.5	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.6	-179.2	-58.1	-178.6	0	0	0	113.8	W62 N162 N168 L173 I213 L216	W62-L164 HydrophobicContact CD2-CD2 4.48Å; W62-L164 HydrophobicContact CE3-CD2 3.73Å; W62-L164 HydrophobicContact CH2-CD2 4.08Å; W62-L164 HydrophobicContact CZ3-CD2 3.45Å; W62-L164 VanDerWaalsContact CZ3-CD2 3.45Å; N162-L164 PolarHBondContact O-N 2.98Å; L164-N168 HydrophobicContact CB-CB 4.22Å; L164-L173 HydrophobicContact CD1-CD1 4.01Å; L164-L173 HydrophobicContact CD1-CD2 3.8Å; L164-I213 HydrophobicContact CD1-CD1 3.76Å; L164-I213 HydrophobicContact CD1-CG2 4.27Å; L164-I213 HydrophobicContact CD2-CG2 3.83Å; L164-L216 HydrophobicContact CB-CD2 4.01Å; L164-L216 HydrophobicContact CD1-CD2 3.87Å; L164-L216 HydrophobicContact CD2-CD2 4.14Å; L164-L216 HydrophobicContact CD2-CG 4.48Å; L164-L216 HydrophobicContact CG-CD2 4.22Å
165	G	94.7	Very high	94.4	Very high	14 Å²	14	59.5 Å²	59.5	14%	0.144	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	71.5	-142.8	179.4	0	0	0	0	0	112.8	W117 K118 N162 R163 Y167 N168	W117-G165 WeakPolarHBondContact O-CA 3.45Å; K118-G165 WeakPolarHBondContact O-CA 3.41Å; N162-G165 PolarHBondContact O-N 3.42Å; R163-G165 VanDerWaalsContact C-N 3.29Å; R163-G165 PolarHBondContact O-N 2.79Å; G165-Y167 PolarHBondContact O-N 3.16Å; G165-Y167 VanDerWaalsContact O-N 3.07Å; G165-N168 WeakPolarHBondContact O-CB 3.42Å; G165-N168 PolarHBondContact O-N 3.47Å
166	S	94.4	Very high	94.2	Very high	79 Å²	79	62.7 Å²	62.7	55%	0.552	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-62	-19.2	-173.9	-52.8	0	0	0	0	114.6	W117	W117-S166 PolarHBondContact O-N 3.49Å; W117-S166 PolarHBondContact O-OG 3.02Å
167	Y	94	Very high	94.2	Very high	39 Å²	39	62.5 Å²	62.5	15%	0.153	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-105.3	42.3	-175.4	-66.6	-92.4	0	0	0	112.3	W117 G165 H172 L173 C202 L216 P218	W117-Y167 HydrophobicContact CB-CD2 4.03Å; W117-Y167 HydrophobicContact CB-CE2 4.02Å; W117-Y167 AromaticContact CD1-CE2 3.45Å; W117-Y167 VanDerWaalsContact CD1-CE2 3.45Å; W117-Y167 HydrophobicContact CG-CD2 4.1Å; W117-Y167 AromaticContact CG-CE2 3.7Å; W117-Y167 HydrophobicContact CG-CE2 3.7Å; G165-Y167 PolarHBondContact O-N 3.16Å; G165-Y167 VanDerWaalsContact O-N 3.07Å; Y167-H172 HydrophobicContact CD1-CB 4.39Å; Y167-H172 AromaticContact CD1-CE1 3.87Å; Y167-H172 AromaticContact CD1-CG 3.83Å; Y167-H172 AromaticContact CD1-ND1 3.69Å; Y167-H172 WeakPolarHBondContact O-CB 3.48Å; Y167-L173 WeakPolarHBondContact O-CD2 3.24Å; Y167-C202 WeakPolarHBondContact CD1-SG 3.25Å; Y167-L216 HydrophobicContact CG-CD1 4.45Å; Y167-P218 HydrophobicContact CD1-CG 4.15Å; Y167-P218 HydrophobicContact CD2-CG 3.65Å; Y167-P218 HydrophobicContact CE1-CB 3.85Å; Y167-P218 HydrophobicContact CE1-CG 3.7Å; Y167-P218 HydrophobicContact CE2-CB 4.16Å; Y167-P218 HydrophobicContact CE2-CG 3.19Å; Y167-P218 HydrophobicContact CG-CG 4.11Å; Y167-P218 WeakPolarHBondContact OH-CG 3.45Å
168	N	92.3	Very high	94.3	Very high	44 Å²	44	63.4 Å²	63.4	24%	0.235	33%	0.326	C	S	.	.			trans	-95.1	-6.5	-177.8	-164.6	43.2	0	0	0	114.1	V161 L164 G165	V161-N168 PolarHBondContact O-ND2 2.93Å; V161-N168 PolarHBondContact O-OD1 3.4Å; L164-N168 HydrophobicContact CB-CB 4.22Å; G165-N168 WeakPolarHBondContact O-CB 3.42Å; G165-N168 PolarHBondContact O-N 3.47Å
169	G	92.2	Very high	94.3	Very high	28 Å²	28	59.6 Å²	59.6	29%	0.289	31%	0.312	S	S	.	.	S	Bend	trans	-71.2	154.3	177.1	0	0	0	0	0	113.5	Q171 H172 L173	G169-Q171 VanDerWaalsContact C-N 3.3Å; G169-Q171 PolarHBondContact O-N 3.28Å; G169-H172 WeakPolarHBondContact O-CB 3.47Å; G169-H172 PolarHBondContact O-N 3.49Å; G169-L173 WeakPolarHBondContact O-CG 3.32Å; G169-L173 PolarHBondContact O-N 2.89Å
170	K	92.3	Very high	94.4	Very high	177 Å²	177	63.3 Å²	63.3	77%	0.77	34%	0.337	S	S	*	.	H	α-helix	trans	-53.3	-43.1	-175.2	-70.2	-176	178.7	-179.7	0	113.3	H172 L173 T174	K170-H172 PolarHBondContact O-N 3.3Å; K170-H172 VanDerWaalsContact O-N 3.13Å; K170-L173 PolarHBondContact O-N 2.94Å; K170-T174 PolarHBondContact O-N 3.07Å; K170-T174 PolarHBondContact O-OG1 3.42Å; K170-T174 VanDerWaalsContact O-OG1 3.08Å
171	Q	92.3	Very high	94.7	Very high	94 Å²	94	56 Å²	56	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-58.3	-27.7	179.2	68.5	-80.5	7.6	0	0	113.5	G169	G169-Q171 VanDerWaalsContact C-N 3.3Å; G169-Q171 PolarHBondContact O-N 3.28Å
172	H	94.8	Very high	95	Very high	28 Å²	28	56 Å²	56	13%	0.13	30%	0.304	C	S	.	.	H	α-helix	trans	-83.6	-20.2	179	-53.3	-48.8	0	0	0	112.4	Y167 G169 K170 S199 T201	Y167-H172 HydrophobicContact CD1-CB 4.39Å; Y167-H172 AromaticContact CD1-CE1 3.87Å; Y167-H172 AromaticContact CD1-CG 3.83Å; Y167-H172 AromaticContact CD1-ND1 3.69Å; Y167-H172 WeakPolarHBondContact O-CB 3.48Å; G169-H172 WeakPolarHBondContact O-CB 3.47Å; G169-H172 PolarHBondContact O-N 3.49Å; K170-H172 PolarHBondContact O-N 3.3Å; K170-H172 VanDerWaalsContact O-N 3.13Å; H172-S199 VanDerWaalsContact O-CB 3.27Å; H172-S199 WeakPolarHBondContact O-CB 3.18Å; H172-S199 PolarHBondContact O-OG 2.83Å; H172-T201 PolarHBondContact ND1-OG1 3.35Å
173	L	95	Very high	95.1	Very high	31 Å²	31	54.9 Å²	54.9	16%	0.162	30%	0.297	C	S	.	.	H	α-helix	trans	-107.8	-26.5	-169.9	-54.7	-172.1	0	0	0	113.5	L164 Y167 G169 K170 S175 R206 I213 L216	L164-L173 HydrophobicContact CD1-CD1 4.01Å; L164-L173 HydrophobicContact CD1-CD2 3.8Å; Y167-L173 WeakPolarHBondContact O-CD2 3.24Å; G169-L173 WeakPolarHBondContact O-CG 3.32Å; G169-L173 PolarHBondContact O-N 2.89Å; K170-L173 PolarHBondContact O-N 2.94Å; L173-S175 PolarHBondContact O-N 3.38Å; L173-R206 PolarHBondContact O-NH2 3.47Å; L173-I213 HydrophobicContact CB-CD1 4.28Å; L173-I213 HydrophobicContact CD1-CD1 3.89Å; L173-I213 HydrophobicContact CD2-CD1 3.75Å; L173-I213 HydrophobicContact CG-CD1 4.17Å; L173-L216 HydrophobicContact CD2-CD2 3.48Å; L173-L216 VanDerWaalsContact CD2-CD2 3.48Å
174	T	95.3	Very high	95.2	Very high	87 Å²	87	55.3 Å²	55.3	53%	0.534	30%	0.303	S	S	.	.	S	Bend	trans	-65.5	121.3	178.6	-56.6	0	0	0	0	110.7	K170 S199	K170-T174 PolarHBondContact O-N 3.07Å; K170-T174 PolarHBondContact O-OG1 3.42Å; K170-T174 VanDerWaalsContact O-OG1 3.08Å; T174-S199 VanDerWaalsContact O-CA 3.27Å; T174-S199 WeakPolarHBondContact O-CA 3.41Å; T174-S199 WeakPolarHBondContact O-CB 3.37Å
175	S	94.8	Very high	95.2	Very high	26 Å²	26	57.3 Å²	57.3	18%	0.182	32%	0.316	C	S	.	.			trans	-74.1	128.6	176.2	-54.3	0	0	0	0	110.9	L173 E178 C197 Y211	L173-S175 PolarHBondContact O-N 3.38Å; S175-E178 WeakPolarHBondContact CB-OE1 3.28Å; S175-E178 PolarHBondContact OG-OE1 3.24Å; S175-C197 WeakPolarHBondContact OG-CB 3.31Å; S175-Y211 PolarHBondContact OG-OH 2.82Å; S175-Y211 VanDerWaalsContact OG-OH 3.07Å
176	L	94.8	Very high	94.9	Very high	118 Å²	118	61.9 Å²	61.9	62%	0.618	34%	0.342	S	S	*	.	S	Bend	trans	-98.9	-32.6	170.2	-60.4	179	0	0	0	112	L198 E200	L176-L198 WeakPolarHBondContact CB-O 3.27Å; L176-L198 PolarHBondContact N-O 3.32Å; L176-E200 HydrophobicContact CD1-CG 3.81Å
177	A	95.3	Very high	94.6	Very high	27 Å²	27	62.5 Å²	62.5	22%	0.223	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	148.3	174	0	0	0	0	0	109.4	F179 C197 L198 T258	A177-F179 HydrophobicContact CB-CE2 4.15Å; A177-C197 CarbonylContact O-C 3.54Å; A177-C197 VanDerWaalsContact O-CA 3.26Å; A177-C197 WeakPolarHBondContact O-CA 3.19Å; A177-L198 HydrophobicContact CB-CB 4.38Å; A177-L198 HydrophobicContact CB-CD1 4.37Å; A177-L198 PolarHBondContact N-O 3.03Å; A177-L198 PolarHBondContact O-N 2.71Å; A177-T258 HydrophobicContact CB-CG2 4.22Å
178	E	97	Very high	94.5	Very high	84 Å²	84	63.7 Å²	63.7	39%	0.393	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135.1	-174.7	-57.1	-170.5	152.3	0	0	110.2	S175 L195 C197 Y211	S175-E178 WeakPolarHBondContact CB-OE1 3.28Å; S175-E178 PolarHBondContact OG-OE1 3.24Å; E178-L195 HydrophobicContact CB-CD1 3.97Å; E178-L195 HydrophobicContact CB-CD2 4.32Å; E178-L195 HydrophobicContact CB-CG 4.13Å; E178-L195 HydrophobicContact CG-CD2 4.4Å; E178-C197 HydrophobicContact CG-CB 4.32Å; E178-Y211 WeakPolarHBondContact OE1-CE2 3.48Å; E178-Y211 PolarHBondContact OE1-OH 3.42Å
179	F	97.5	Very high	94.3	Very high	21 Å²	21	69.3 Å²	69.3	9%	0.092	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.2	-179.4	-60.9	-82.2	0	0	0	111	A177 V181 L196 L198 N254 V255 T258	A177-F179 HydrophobicContact CB-CE2 4.15Å; F179-V181 HydrophobicContact CB-CG1 4.33Å; F179-V181 PolarHBondContact O-N 3.43Å; F179-L196 PolarHBondContact N-O 3.4Å; F179-L196 PolarHBondContact O-N 3.38Å; F179-L198 HydrophobicContact CE2-CD1 4.33Å; F179-N254 HydrophobicContact CE1-CB 3.91Å; F179-V255 HydrophobicContact CB-CG2 3.66Å; F179-V255 HydrophobicContact CD1-CG2 3.68Å; F179-V255 HydrophobicContact CD2-CG2 3.99Å; F179-V255 HydrophobicContact CE1-CG2 4.3Å; F179-V255 HydrophobicContact CG-CG2 3.51Å; F179-T258 HydrophobicContact CE2-CG2 4.2Å; F179-T258 HydrophobicContact CZ-CG2 4.24Å; F179-T258 WeakPolarHBondContact CZ-OG1 3.39Å
180	C	97.8	Very high	94.4	Very high	84 Å²	84	74.7 Å²	74.7	57%	0.568	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.4	171	-68.8	0	0	0	0	109.6	S249	C180-S249 PolarHBondContact O-OG 3.05Å
181	V	98.4	Very high	94.6	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.6	179.2	-50.5	0	0	0	0	111.2	F179 P193 R194 L196 F235 Y247 K248	F179-V181 HydrophobicContact CB-CG1 4.33Å; F179-V181 PolarHBondContact O-N 3.43Å; V181-P193 CarbonylContact O-C 3.53Å; V181-P193 WeakPolarHBondContact O-CA 3.14Å; V181-R194 HydrophobicContact CG2-CB 3.99Å; V181-R194 PolarHBondContact N-O 3.16Å; V181-R194 PolarHBondContact O-N 3.13Å; V181-R194 VanDerWaalsContact O-O 3.09Å; V181-L196 HydrophobicContact CG1-CB 3.85Å; V181-L196 HydrophobicContact CG1-CD2 4.11Å; V181-L196 HydrophobicContact CG2-CB 3.79Å; V181-F235 HydrophobicContact CG1-CZ 4.31Å; V181-Y247 HydrophobicContact CB-CD1 4.43Å; V181-Y247 HydrophobicContact CG2-CD1 3.72Å; V181-Y247 HydrophobicContact CG2-CE1 4.32Å; V181-Y247 HydrophobicContact CG2-CG 4.49Å; V181-K248 CarbonylContact C-O 3.58Å; V181-K248 VanDerWaalsContact CA-O 3.29Å; V181-K248 WeakPolarHBondContact CA-O 3.15Å
182	E	98.2	Very high	94.8	Very high	90 Å²	90	65.7 Å²	65.7	42%	0.421	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.7	165.8	-59.2	-172.1	130.3	0	0	109.2	P191 Y247 K248	E182-P191 HydrophobicContact CB-CB 3.98Å; E182-Y247 CarbonylContact O-C 3.55Å; E182-Y247 VanDerWaalsContact O-CA 3.27Å; E182-Y247 WeakPolarHBondContact O-CA 3.48Å; E182-K248 HydrophobicContact CB-CB 4.32Å; E182-K248 PolarHBondContact N-O 3.26Å; E182-K248 PolarHBondContact O-N 2.81Å
183	K	97.9	Very high	94.9	Very high	25 Å²	25	67.6 Å²	67.6	11%	0.109	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.9	176.7	179.2	167.6	179.5	164.2	0	110.5	P191 V192 R194 E205 Y247	K183-P191 WeakPolarHBondContact O-CA 3.21Å; K183-V192 PolarHBondContact N-O 3.33Å; K183-V192 PolarHBondContact O-N 3.41Å; K183-R194 HydrophobicContact CB-CG 3.92Å; K183-E205 WeakPolarHBondContact CD-OE2 3.43Å; K183-E205 IonicContact NZ-OE1 2.9Å; K183-E205 PolarHBondContact NZ-OE1 3.4Å; K183-E205 IonicContact NZ-OE2 3.73Å; K183-E205 PolarHBondContact NZ-OE2 2.67Å; K183-Y247 HydrophobicContact CB-CD1 4.01Å; K183-Y247 HydrophobicContact CB-CE1 4.1Å; K183-Y247 HydrophobicContact CD-CE1 4.02Å; K183-Y247 HydrophobicContact CG-CD1 4.25Å; K183-Y247 HydrophobicContact CG-CE1 4.04Å
184	I	97.3	Very high	95.1	Very high	60 Å²	60	67.1 Å²	67.1	31%	0.308	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.6	172.4	-53.3	178.9	0	0	0	107.7	P191 L234 T246 K248	I184-P191 HydrophobicContact CG1-CB 4.16Å; I184-P191 HydrophobicContact CG1-CG 4.13Å; I184-L234 HydrophobicContact CD1-CD1 4.29Å; I184-T246 HydrophobicContact CB-CG2 3.94Å; I184-T246 HydrophobicContact CD1-CG2 4.18Å; I184-T246 HydrophobicContact CG1-CG2 4.42Å; I184-T246 PolarHBondContact N-O 3.35Å; I184-K248 HydrophobicContact CD1-CD 4.08Å; I184-K248 HydrophobicContact CD1-CG 3.97Å
185	S	93.3	Very high	95.2	Very high	42 Å²	42	63.9 Å²	63.9	29%	0.294	34%	0.338	S	S	.	.			trans	-151.7	144.5	-177.8	173.9	0	0	0	0	110.3	R187 H188	S185-R187 PolarHBondContact O-N 3.13Å; S185-R187 PolarHBondContact OG-N 2.82Å; S185-H188 PolarHBondContact O-N 3.35Å
186	V	88.1	Confident	95.3	Very high	111 Å²	111	62.8 Å²	62.8	67%	0.673	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.7	173.8	-59.7	0	0	0	0	113.7	R87 H188	R87-V186 PolarHBondContact NH1-O 3.39Å; V186-H188 VanDerWaalsContact C-N 3.28Å; V186-H188 PolarHBondContact O-N 3.41Å
187	R	89.2	Confident	95.5	Very high	92 Å²	92	57.1 Å²	57.1	35%	0.347	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.2	175	179.3	174.2	-74.7	-147.7	-4.4	112.8	R87 L89 A90 S185	R87-R187 PolarHBondContact NH2-O 2.94Å; L89-R187 HydrophobicContact CD2-CG 4.23Å; L89-R187 PolarHBondContact O-NE 3.22Å; L89-R187 PolarHBondContact O-NH2 3.13Å; A90-R187 VanDerWaalsContact CB-NH2 3.34Å; S185-R187 PolarHBondContact O-N 3.13Å; S185-R187 PolarHBondContact OG-N 2.82Å
188	H	90.2	Very high	95.6	Very high	63 Å²	63	56.2 Å²	56.2	29%	0.292	29%	0.291	S	S	.	.			trans	-116.4	144.3	-174.5	-58.1	-68.6	0	0	0	110	R87 S185 V186 M190 V192 R194	R87-H188 PolarHBondContact NH1-O 3.32Å; S185-H188 PolarHBondContact O-N 3.35Å; V186-H188 VanDerWaalsContact C-N 3.28Å; V186-H188 PolarHBondContact O-N 3.41Å; H188-M190 VanDerWaalsContact C-N 3.35Å; H188-M190 VanDerWaalsContact CB-O 3.28Å; H188-M190 WeakPolarHBondContact CB-O 3.37Å; H188-V192 HydrophobicContact CB-CG2 3.52Å; H188-R194 PolarHBondContact NE2-NH2 2.93Å
189	K	88.4	Confident	95.5	Very high	163 Å²	163	52.3 Å²	52.3	71%	0.709	27%	0.273	S	S	*	.	S	Bend	trans	-75.5	-30.5	178.1	-65.3	-177.8	-178.7	178.3	0	111.8
190	M	94.2	Very high	95.2	Very high	141 Å²	141	57.2 Å²	57.2	70%	0.695	30%	0.296	S	S	*	.	S	Bend	trans	-121	156.2	177	-62.8	-57.7	-68.8	0	0	109.5	H188 V192	H188-M190 VanDerWaalsContact C-N 3.35Å; H188-M190 VanDerWaalsContact CB-O 3.28Å; H188-M190 WeakPolarHBondContact CB-O 3.37Å; M190-V192 WeakPolarHBondContact O-CG2 3.38Å
191	P	96.7	Very high	95.1	Very high	50 Å²	50	53.5 Å²	53.5	33%	0.325	27%	0.271	S	S	.	.			trans	-52.4	142	167	-22.1	33	0	0	0	110.7	E182 K183 I184	E182-P191 HydrophobicContact CB-CB 3.98Å; K183-P191 WeakPolarHBondContact O-CA 3.21Å; I184-P191 HydrophobicContact CG1-CB 4.16Å; I184-P191 HydrophobicContact CG1-CG 4.13Å
192	V	96.8	Very high	95	Very high	32 Å²	32	53.3 Å²	53.3	19%	0.194	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.8	-177	-164.4	0	0	0	0	110.3	K183 H188 M190 R194	K183-V192 PolarHBondContact N-O 3.33Å; K183-V192 PolarHBondContact O-N 3.41Å; H188-V192 HydrophobicContact CB-CG2 3.52Å; M190-V192 WeakPolarHBondContact O-CG2 3.38Å; V192-R194 PolarHBondContact O-N 3.15Å
193	P	98	Very high	95	Very high	67 Å²	67	49.3 Å²	49.3	44%	0.435	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.4	177.7	27.4	-36.2	0	0	0	111.1	V181 V208	V181-P193 CarbonylContact O-C 3.53Å; V181-P193 WeakPolarHBondContact O-CA 3.14Å; P193-V208 HydrophobicContact CB-CG2 3.86Å; P193-V208 HydrophobicContact CG-CG2 3.97Å
194	R	97.5	Very high	94.9	Very high	21 Å²	21	48.1 Å²	48.1	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.7	176.7	-66.2	-67.9	176.9	-98.4	-1.5	108.7	V181 K183 H188 V192	V181-R194 HydrophobicContact CG2-CB 3.99Å; V181-R194 PolarHBondContact N-O 3.16Å; V181-R194 PolarHBondContact O-N 3.13Å; V181-R194 VanDerWaalsContact O-O 3.09Å; K183-R194 HydrophobicContact CB-CG 3.92Å; H188-R194 PolarHBondContact NE2-NH2 2.93Å; V192-R194 PolarHBondContact O-N 3.15Å
195	L	97.8	Very high	94.9	Very high	20 Å²	20	45.5 Å²	45.5	11%	0.105	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	109.6	163.6	-169	71	0	0	0	107.7	E178 C197 R206 V208 Y211	E178-L195 HydrophobicContact CB-CD1 3.97Å; E178-L195 HydrophobicContact CB-CD2 4.32Å; E178-L195 HydrophobicContact CB-CG 4.13Å; E178-L195 HydrophobicContact CG-CD2 4.4Å; L195-C197 PolarHBondContact O-SG 3.24Å; L195-R206 HydrophobicContact CB-CB 4.2Å; L195-R206 PolarHBondContact N-O 2.88Å; L195-R206 PolarHBondContact O-N 3.31Å; L195-V208 HydrophobicContact CB-CG1 4.41Å; L195-Y211 HydrophobicContact CD2-CD2 3.99Å; L195-Y211 HydrophobicContact CD2-CE2 3.59Å
196	L	98.1	Very high	95	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.4	178.1	-168.1	68.2	0	0	0	108.5	F179 V181 L203 E205 F235 Y247 V255	F179-L196 PolarHBondContact N-O 3.4Å; F179-L196 PolarHBondContact O-N 3.38Å; V181-L196 HydrophobicContact CG1-CB 3.85Å; V181-L196 HydrophobicContact CG1-CD2 4.11Å; V181-L196 HydrophobicContact CG2-CB 3.79Å; L196-L203 HydrophobicContact CD1-CD1 3.5Å; L196-L203 VanDerWaalsContact CD1-CD1 3.5Å; L196-L203 HydrophobicContact CD1-CD2 4.26Å; L196-L203 HydrophobicContact CD1-CG 3.9Å; L196-L203 HydrophobicContact CD2-CD1 4.15Å; L196-L203 HydrophobicContact CG-CD1 3.62Å; L196-E205 HydrophobicContact CD1-CG 3.86Å; L196-F235 HydrophobicContact CD2-CE2 4.41Å; L196-F235 HydrophobicContact CD2-CZ 4.15Å; L196-Y247 HydrophobicContact CD1-CE1 4.2Å; L196-V255 HydrophobicContact CD2-CG1 3.93Å
197	C	97.7	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.3	-172.1	-47.1	0	0	0	0	110.7	S175 A177 E178 L195 V204	S175-C197 WeakPolarHBondContact OG-CB 3.31Å; A177-C197 CarbonylContact O-C 3.54Å; A177-C197 VanDerWaalsContact O-CA 3.26Å; A177-C197 WeakPolarHBondContact O-CA 3.19Å; E178-C197 HydrophobicContact CG-CB 4.32Å; L195-C197 PolarHBondContact O-SG 3.24Å; C197-V204 HydrophobicContact CB-CB 4.26Å; C197-V204 PolarHBondContact N-O 3.43Å; C197-V204 PolarHBondContact O-N 2.99Å
198	L	96.7	Very high	95.7	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.5	170.9	-63.8	170.9	0	0	0	108.9	L176 A177 F179 L203 L219 T258 L259 A262	L176-L198 WeakPolarHBondContact CB-O 3.27Å; L176-L198 PolarHBondContact N-O 3.32Å; A177-L198 HydrophobicContact CB-CB 4.38Å; A177-L198 HydrophobicContact CB-CD1 4.37Å; A177-L198 PolarHBondContact N-O 3.03Å; A177-L198 PolarHBondContact O-N 2.71Å; F179-L198 HydrophobicContact CE2-CD1 4.33Å; L198-L203 HydrophobicContact CD2-CD1 3.76Å; L198-L219 HydrophobicContact CD2-CD2 3.96Å; L198-T258 HydrophobicContact CD1-CG2 3.38Å; L198-L259 HydrophobicContact CD2-CD2 3.41Å; L198-L259 VanDerWaalsContact CD2-CD2 3.41Å; L198-L259 HydrophobicContact CD2-CG 4.04Å; L198-A262 HydrophobicContact CD1-CB 4.48Å
199	S	95.3	Very high	95.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.014	23%	0.229	C	C	.	.			trans	-97.8	-178.4	163.2	70.6	0	0	0	0	110.3	H172 T174 T201 C202	H172-S199 VanDerWaalsContact O-CB 3.27Å; H172-S199 WeakPolarHBondContact O-CB 3.18Å; H172-S199 PolarHBondContact O-OG 2.83Å; T174-S199 VanDerWaalsContact O-CA 3.27Å; T174-S199 WeakPolarHBondContact O-CA 3.41Å; T174-S199 WeakPolarHBondContact O-CB 3.37Å; S199-T201 PolarHBondContact O-N 2.83Å; S199-T201 VanDerWaalsContact O-N 3.07Å; S199-T201 PolarHBondContact OG-N 3.28Å; S199-C202 PolarHBondContact N-O 2.98Å; S199-C202 WeakPolarHBondContact OG-CA 3.48Å; S199-C202 WeakPolarHBondContact OG-CB 3.2Å; S199-C202 PolarHBondContact OG-N 3.17Å; S199-C202 PolarHBondContact OG-O 3.03Å
200	E	92.7	Very high	96.1	Very high	124 Å²	124	38.4 Å²	38.4	58%	0.579	21%	0.214	S	C	*	.	S	Bend	trans	-56.6	-24.8	174.8	-67.4	-179.8	-176.1	0	0	113.2	L176	L176-E200 HydrophobicContact CD1-CG 3.81Å
201	T	94.7	Very high	96.1	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.043	20%	0.2	C	C	.	.	S	Bend	trans	-135.3	-13.8	-171.1	74	0	0	0	0	114.8	H172 S199 P218 L219	H172-T201 PolarHBondContact ND1-OG1 3.35Å; S199-T201 PolarHBondContact O-N 2.83Å; S199-T201 VanDerWaalsContact O-N 3.07Å; S199-T201 PolarHBondContact OG-N 3.28Å; T201-P218 CarbonylContact O-C 3.52Å; T201-P218 WeakPolarHBondContact O-CA 3.37Å; T201-L219 PolarHBondContact O-N 3.09Å
202	C	96.8	Very high	95.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147	-171.1	-63.9	0	0	0	0	112.8	Y167 S199 V204 K217	Y167-C202 WeakPolarHBondContact CD1-SG 3.25Å; S199-C202 PolarHBondContact N-O 2.98Å; S199-C202 WeakPolarHBondContact OG-CA 3.48Å; S199-C202 WeakPolarHBondContact OG-CB 3.2Å; S199-C202 PolarHBondContact OG-N 3.17Å; S199-C202 PolarHBondContact OG-O 3.03Å; C202-V204 HydrophobicContact CB-CG2 3.97Å; C202-K217 CarbonylContact C-O 3.54Å; C202-K217 VanDerWaalsContact CA-O 3.31Å; C202-K217 WeakPolarHBondContact CA-O 3.41Å
203	L	97.2	Very high	95.7	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119.3	157.8	-178.2	59.5	0	0	0	108.2	L196 L198 L216 K217 L219 I222 V237 F239 L259	L196-L203 HydrophobicContact CD1-CD1 3.5Å; L196-L203 VanDerWaalsContact CD1-CD1 3.5Å; L196-L203 HydrophobicContact CD1-CD2 4.26Å; L196-L203 HydrophobicContact CD1-CG 3.9Å; L196-L203 HydrophobicContact CD2-CD1 4.15Å; L196-L203 HydrophobicContact CG-CD1 3.62Å; L198-L203 HydrophobicContact CD2-CD1 3.76Å; L203-L216 CarbonylContact O-C 3.5Å; L203-L216 VanDerWaalsContact O-CA 3.29Å; L203-L216 WeakPolarHBondContact O-CA 3.44Å; L203-K217 PolarHBondContact N-O 2.99Å; L203-K217 PolarHBondContact O-N 3.46Å; L203-L219 HydrophobicContact CB-CD2 4.19Å; L203-I222 HydrophobicContact CD2-CD1 4.45Å; L203-V237 HydrophobicContact CD2-CG1 4.36Å; L203-V237 HydrophobicContact CD2-CG2 4.5Å; L203-F239 HydrophobicContact CD2-CZ 4.33Å; L203-L259 HydrophobicContact CD1-CD2 3.93Å; L203-L259 HydrophobicContact CD2-CD2 4.25Å
204	V	96.8	Very high	95.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.3	-174.5	-174	0	0	0	0	109.3	C197 C202 R206 I213 L216	C197-V204 HydrophobicContact CB-CB 4.26Å; C197-V204 PolarHBondContact N-O 3.43Å; C197-V204 PolarHBondContact O-N 2.99Å; C202-V204 HydrophobicContact CB-CG2 3.97Å; V204-R206 HydrophobicContact CG1-CG 4.16Å; V204-I213 HydrophobicContact CG1-CG1 4.02Å; V204-I213 HydrophobicContact CG1-CG2 3.96Å; V204-L216 HydrophobicContact CB-CB 4.49Å; V204-L216 HydrophobicContact CG1-CB 4.43Å; V204-L216 HydrophobicContact CG2-CB 4.1Å
205	E	96.6	Very high	95.2	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.6	169.3	-66.2	176.8	-152.9	0	0	109.1	K183 L196 I214 T215 Y247	K183-E205 WeakPolarHBondContact CD-OE2 3.43Å; K183-E205 IonicContact NZ-OE1 2.9Å; K183-E205 PolarHBondContact NZ-OE1 3.4Å; K183-E205 IonicContact NZ-OE2 3.73Å; K183-E205 PolarHBondContact NZ-OE2 2.67Å; L196-E205 HydrophobicContact CD1-CG 3.86Å; E205-I214 HydrophobicContact CB-CB 4.49Å; E205-I214 PolarHBondContact O-N 3.32Å; E205-T215 HydrophobicContact CB-CG2 3.81Å; E205-T215 HydrophobicContact CG-CG2 3.78Å; E205-T215 PolarHBondContact N-O 2.73Å; E205-T215 PolarHBondContact O-N 3.45Å; E205-T215 WeakPolarHBondContact OE1-CG2 3.49Å; E205-T215 WeakPolarHBondContact OE2-CG2 3.36Å; E205-Y247 PolarHBondContact OE1-OH 3.12Å
206	R	96.4	Very high	95.1	Very high	23 Å²	23	34.5 Å²	34.5	9%	0.087	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	153.2	174	-62	178.1	177.6	-85.9	0.3	111.4	L173 L195 V204 Y211 N212 I213	L173-R206 PolarHBondContact O-NH2 3.47Å; L195-R206 HydrophobicContact CB-CB 4.2Å; L195-R206 PolarHBondContact N-O 2.88Å; L195-R206 PolarHBondContact O-N 3.31Å; V204-R206 HydrophobicContact CG1-CG 4.16Å; R206-Y211 VanDerWaalsContact CD-CE2 3.46Å; R206-Y211 VanDerWaalsContact CD-CZ 3.42Å; R206-Y211 VanDerWaalsContact NH1-CE1 3.28Å; R206-Y211 PolarHBondContact NH1-O 2.96Å; R206-N212 CarbonylContact C-O 3.57Å; R206-N212 VanDerWaalsContact CA-O 3.29Å; R206-N212 WeakPolarHBondContact CA-O 3.36Å; R206-I213 HydrophobicContact CG-CG1 4.48Å
207	D	94.8	Very high	94.9	Very high	38 Å²	38	35.3 Å²	35.3	20%	0.203	19%	0.187	C	C	.	.			trans	-69	134.4	165.4	-175.2	-109.2	0	0	0	109.7	V209 S210 Y211 N212 I214	D207-V209 VanDerWaalsContact C-N 3.3Å; D207-V209 PolarHBondContact O-N 3.47Å; D207-V209 PolarHBondContact OD1-N 2.88Å; D207-S210 WeakPolarHBondContact CB-OG 3.29Å; D207-S210 VanDerWaalsContact CG-OG 3.31Å; D207-S210 WeakPolarHBondContact OD1-CB 3.13Å; D207-S210 PolarHBondContact OD1-N 3.42Å; D207-S210 PolarHBondContact OD1-OG 2.95Å; D207-Y211 WeakPolarHBondContact O-CA 3.41Å; D207-Y211 PolarHBondContact O-N 2.88Å; D207-N212 PolarHBondContact N-O 3.39Å; D207-I214 HydrophobicContact CB-CD1 4.04Å; D207-I214 HydrophobicContact CB-CG1 4.14Å
208	V	95.7	Very high	94.8	Very high	66 Å²	66	35.3 Å²	35.3	40%	0.4	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.7	-175.7	-104.5	0	0	0	0	113.3	P193 L195	P193-V208 HydrophobicContact CB-CG2 3.86Å; P193-V208 HydrophobicContact CG-CG2 3.97Å; L195-V208 HydrophobicContact CB-CG1 4.41Å
209	V	94.4	Very high	94.7	Very high	138 Å²	138	35 Å²	35	84%	0.836	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-52	-175.1	-179.2	0	0	0	0	110.7	D207	D207-V209 VanDerWaalsContact C-N 3.3Å; D207-V209 PolarHBondContact O-N 3.47Å; D207-V209 PolarHBondContact OD1-N 2.88Å
210	S	93.7	Very high	94.6	Very high	57 Å²	57	37.6 Å²	37.6	40%	0.399	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.5	-175	63.8	0	0	0	0	114	D207 N212	D207-S210 WeakPolarHBondContact CB-OG 3.29Å; D207-S210 VanDerWaalsContact CG-OG 3.31Å; D207-S210 WeakPolarHBondContact OD1-CB 3.13Å; D207-S210 PolarHBondContact OD1-N 3.42Å; D207-S210 PolarHBondContact OD1-OG 2.95Å; S210-N212 WeakPolarHBondContact CB-ND2 3.42Å; S210-N212 PolarHBondContact O-N 2.93Å; S210-N212 PolarHBondContact OG-ND2 3.47Å; S210-N212 VanDerWaalsContact OG-ND2 3.11Å
211	Y	93.9	Very high	94.6	Very high	102 Å²	102	32.1 Å²	32.1	40%	0.4	18%	0.179	S	C	.	.			trans	58.3	7.6	-174.8	-159.5	-105.8	0	0	0	114.6	S175 E178 L195 R206 D207	S175-Y211 PolarHBondContact OG-OH 2.82Å; S175-Y211 VanDerWaalsContact OG-OH 3.07Å; E178-Y211 WeakPolarHBondContact OE1-CE2 3.48Å; E178-Y211 PolarHBondContact OE1-OH 3.42Å; L195-Y211 HydrophobicContact CD2-CD2 3.99Å; L195-Y211 HydrophobicContact CD2-CE2 3.59Å; R206-Y211 VanDerWaalsContact CD-CE2 3.46Å; R206-Y211 VanDerWaalsContact CD-CZ 3.42Å; R206-Y211 VanDerWaalsContact NH1-CE1 3.28Å; R206-Y211 PolarHBondContact NH1-O 2.96Å; D207-Y211 WeakPolarHBondContact O-CA 3.41Å; D207-Y211 PolarHBondContact O-N 2.88Å
212	N	93	Very high	94.7	Very high	65 Å²	65	31.8 Å²	31.8	35%	0.348	18%	0.177	S	C	.	.			trans	-65.2	141.2	179.2	-78.5	-42.9	0	0	0	111.1	R206 D207 S210 I214	R206-N212 CarbonylContact C-O 3.57Å; R206-N212 VanDerWaalsContact CA-O 3.29Å; R206-N212 WeakPolarHBondContact CA-O 3.36Å; D207-N212 PolarHBondContact N-O 3.39Å; S210-N212 WeakPolarHBondContact CB-ND2 3.42Å; S210-N212 PolarHBondContact O-N 2.93Å; S210-N212 PolarHBondContact OG-ND2 3.47Å; S210-N212 VanDerWaalsContact OG-ND2 3.11Å; N212-I214 PolarHBondContact O-N 2.97Å
213	I	93	Very high	94.5	Very high	13 Å²	13	32.1 Å²	32.1	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	116.3	175.5	-62	162.1	0	0	0	109.1	L164 L173 V204 R206	L164-I213 HydrophobicContact CD1-CD1 3.76Å; L164-I213 HydrophobicContact CD1-CG2 4.27Å; L164-I213 HydrophobicContact CD2-CG2 3.83Å; L173-I213 HydrophobicContact CB-CD1 4.28Å; L173-I213 HydrophobicContact CD1-CD1 3.89Å; L173-I213 HydrophobicContact CD2-CD1 3.75Å; L173-I213 HydrophobicContact CG-CD1 4.17Å; V204-I213 HydrophobicContact CG1-CG1 4.02Å; V204-I213 HydrophobicContact CG1-CG2 3.96Å; R206-I213 HydrophobicContact CG-CG1 4.48Å
214	I	92.6	Very high	94.4	Very high	55 Å²	55	31.9 Å²	31.9	28%	0.282	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-44.1	174.9	-60.9	-57.1	0	0	0	110.3	W62 E205 D207 N212	W62-I214 WeakPolarHBondContact CZ3-O 3.37Å; E205-I214 HydrophobicContact CB-CB 4.49Å; E205-I214 PolarHBondContact O-N 3.32Å; D207-I214 HydrophobicContact CB-CD1 4.04Å; D207-I214 HydrophobicContact CB-CG1 4.14Å; N212-I214 PolarHBondContact O-N 2.97Å
215	T	91.9	Very high	94.4	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.086	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	160.3	175.5	-155.3	0	0	0	0	111.6	R119 E205	R119-T215 VanDerWaalsContact CZ-OG1 3.31Å; R119-T215 PolarHBondContact NH1-OG1 3.25Å; R119-T215 PolarHBondContact NH2-OG1 2.99Å; E205-T215 HydrophobicContact CB-CG2 3.81Å; E205-T215 HydrophobicContact CG-CG2 3.78Å; E205-T215 PolarHBondContact N-O 2.73Å; E205-T215 PolarHBondContact O-N 3.45Å; E205-T215 WeakPolarHBondContact OE1-CG2 3.49Å; E205-T215 WeakPolarHBondContact OE2-CG2 3.36Å
216	L	94.5	Very high	94.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.2	168.8	64	79.6	0	0	0	110.7	R119 L164 Y167 L173 L203 V204	R119-L216 PolarHBondContact NH1-O 2.93Å; L164-L216 HydrophobicContact CB-CD2 4.01Å; L164-L216 HydrophobicContact CD1-CD2 3.87Å; L164-L216 HydrophobicContact CD2-CD2 4.14Å; L164-L216 HydrophobicContact CD2-CG 4.48Å; L164-L216 HydrophobicContact CG-CD2 4.22Å; Y167-L216 HydrophobicContact CG-CD1 4.45Å; L173-L216 HydrophobicContact CD2-CD2 3.48Å; L173-L216 VanDerWaalsContact CD2-CD2 3.48Å; L203-L216 CarbonylContact O-C 3.5Å; L203-L216 VanDerWaalsContact O-CA 3.29Å; L203-L216 WeakPolarHBondContact O-CA 3.44Å; V204-L216 HydrophobicContact CB-CB 4.49Å; V204-L216 HydrophobicContact CG1-CB 4.43Å; V204-L216 HydrophobicContact CG2-CB 4.1Å
217	K	94.7	Very high	94.4	Very high	18 Å²	18	31 Å²	31	8%	0.078	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.1	172.7	-66.5	-173.9	177.7	83.8	0	109.6	W117 C202 L203 F239 N245	W117-K217 HydrophobicContact CZ3-CG 4.45Å; C202-K217 CarbonylContact C-O 3.54Å; C202-K217 VanDerWaalsContact CA-O 3.31Å; C202-K217 WeakPolarHBondContact CA-O 3.41Å; L203-K217 PolarHBondContact N-O 2.99Å; L203-K217 PolarHBondContact O-N 3.46Å; K217-F239 HydrophobicContact CB-CE1 3.86Å; K217-F239 HydrophobicContact CB-CZ 4.35Å; K217-F239 HydrophobicContact CD-CD1 3.75Å; K217-F239 HydrophobicContact CD-CD2 3.97Å; K217-F239 HydrophobicContact CD-CE1 3.34Å; K217-F239 HydrophobicContact CD-CE2 3.6Å; K217-F239 HydrophobicContact CD-CG 4.07Å; K217-F239 HydrophobicContact CD-CZ 3.28Å; K217-F239 HydrophobicContact CG-CE1 4.26Å; K217-F239 HydrophobicContact CG-CZ 4.41Å; K217-N245 PolarHBondContact NZ-ND2 3.04Å; K217-N245 PolarHBondContact NZ-OD1 3.14Å
218	P	95.1	Very high	94.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	143	175.7	-23.8	37.6	0	0	0	111.8	W117 Y167 T201 S220 S221	W117-P218 HydrophobicContact CD2-CG 3.82Å; W117-P218 HydrophobicContact CE3-CG 4.46Å; W117-P218 HydrophobicContact CG-CG 4.12Å; W117-P218 HydrophobicContact CZ2-CG 4.05Å; Y167-P218 HydrophobicContact CD1-CG 4.15Å; Y167-P218 HydrophobicContact CD2-CG 3.65Å; Y167-P218 HydrophobicContact CE1-CB 3.85Å; Y167-P218 HydrophobicContact CE1-CG 3.7Å; Y167-P218 HydrophobicContact CE2-CB 4.16Å; Y167-P218 HydrophobicContact CE2-CG 3.19Å; Y167-P218 HydrophobicContact CG-CG 4.11Å; Y167-P218 WeakPolarHBondContact OH-CG 3.45Å; T201-P218 CarbonylContact O-C 3.52Å; T201-P218 WeakPolarHBondContact O-CA 3.37Å; P218-S220 PolarHBondContact O-N 3.26Å; P218-S221 WeakPolarHBondContact O-CB 2.75Å; P218-S221 PolarHBondContact O-N 3.15Å; P218-S221 PolarHBondContact O-OG 3.09Å
219	L	95.7	Very high	94	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-60.7	-34.4	176	-68.6	176.9	0	0	0	111.6	L198 T201 L203 S221 I222 L259 A262 V263	L198-L219 HydrophobicContact CD2-CD2 3.96Å; T201-L219 PolarHBondContact O-N 3.09Å; L203-L219 HydrophobicContact CB-CD2 4.19Å; L219-S221 PolarHBondContact O-N 3.36Å; L219-S221 VanDerWaalsContact O-N 3.1Å; L219-I222 HydrophobicContact CD2-CD1 4.03Å; L219-I222 WeakPolarHBondContact O-CB 3.47Å; L219-I222 PolarHBondContact O-N 2.62Å; L219-I222 VanDerWaalsContact O-N 3.12Å; L219-L259 HydrophobicContact CD2-CD2 4.35Å; L219-A262 HydrophobicContact CD1-CB 3.99Å; L219-V263 HydrophobicContact CB-CG2 4Å; L219-V263 HydrophobicContact CD2-CG2 4.1Å
220	S	92.6	Very high	93.9	Very high	57 Å²	57	31.5 Å²	31.5	40%	0.399	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-64.8	-11.1	174.7	59.1	0	0	0	0	114.2	P218	P218-S220 PolarHBondContact O-N 3.26Å
221	S	93.5	Very high	93.9	Very high	8 Å²	8	30.4 Å²	30.4	6%	0.056	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-88.5	-10	176.3	74.8	0	0	0	0	113.8	W117 P218 L219 F223 F239 F240	W117-S221 VanDerWaalsContact CH2-CB 3.48Å; P218-S221 WeakPolarHBondContact O-CB 2.75Å; P218-S221 PolarHBondContact O-N 3.15Å; P218-S221 PolarHBondContact O-OG 3.09Å; L219-S221 PolarHBondContact O-N 3.36Å; L219-S221 VanDerWaalsContact O-N 3.1Å; S221-F223 PolarHBondContact O-N 2.8Å; S221-F239 CarbonylContact O-C 3.53Å; S221-F239 WeakPolarHBondContact O-CA 3.27Å; S221-F239 WeakPolarHBondContact O-CB 3.49Å; S221-F239 WeakPolarHBondContact O-CD1 3.4Å; S221-F239 VanDerWaalsContact OG-CD1 3.3Å; S221-F239 WeakPolarHBondContact OG-CD1 3.25Å; S221-F240 WeakPolarHBondContact O-CD2 3.43Å; S221-F240 PolarHBondContact O-N 2.76Å
222	I	95.3	Very high	93.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.9	178	-62.1	173.6	0	0	0	108.4	L203 L219 L225 V237 F239 F240 L259 V263 V271	L203-I222 HydrophobicContact CD2-CD1 4.45Å; L219-I222 HydrophobicContact CD2-CD1 4.03Å; L219-I222 WeakPolarHBondContact O-CB 3.47Å; L219-I222 PolarHBondContact O-N 2.62Å; L219-I222 VanDerWaalsContact O-N 3.12Å; I222-L225 HydrophobicContact CG2-CD2 3.96Å; I222-L225 HydrophobicContact CG2-CG 4.34Å; I222-V237 HydrophobicContact CD1-CG1 4.09Å; I222-V237 HydrophobicContact CG1-CG1 3.9Å; I222-V237 HydrophobicContact CG2-CG1 4.03Å; I222-F239 HydrophobicContact CG1-CD1 4.03Å; I222-F239 HydrophobicContact CG1-CE1 3.59Å; I222-F239 HydrophobicContact CG1-CZ 4.42Å; I222-F240 WeakPolarHBondContact O-CE2 3.26Å; I222-L259 HydrophobicContact CD1-CD2 3.89Å; I222-V263 HydrophobicContact CB-CG2 4.25Å; I222-V263 HydrophobicContact CD1-CG2 3.75Å; I222-V263 HydrophobicContact CG1-CG2 4.5Å; I222-V271 HydrophobicContact CG2-CG2 4Å
223	F	93.1	Very high	93.9	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.035	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-49.1	178.1	172.1	-114.9	0	0	0	111.3	S221 E238 F240 T278 F287	S221-F223 PolarHBondContact O-N 2.8Å; F223-E238 HydrophobicContact CD1-CG 4.03Å; F223-E238 VanDerWaalsContact CD1-OE2 3.24Å; F223-E238 WeakPolarHBondContact CD1-OE2 3.37Å; F223-E238 PolarHBondContact N-O 2.89Å; F223-F240 HydrophobicContact CB-CD1 4.11Å; F223-F240 HydrophobicContact CB-CD2 4.15Å; F223-F240 HydrophobicContact CB-CE1 4.28Å; F223-F240 HydrophobicContact CB-CE2 4.27Å; F223-F240 HydrophobicContact CB-CG 4.06Å; F223-F240 HydrophobicContact CB-CZ 4.34Å; F223-F240 AromaticContact CD2-CD1 3.75Å; F223-F240 HydrophobicContact CD2-CD1 3.75Å; F223-F240 AromaticContact CD2-CE1 3.36Å; F223-F240 HydrophobicContact CD2-CE1 3.36Å; F223-F240 AromaticContact CD2-CZ 3.81Å; F223-F240 HydrophobicContact CD2-CZ 3.81Å; F223-F240 HydrophobicContact CE2-CE1 4.12Å; F223-F240 HydrophobicContact CG-CD1 4.28Å; F223-F240 HydrophobicContact CG-CE1 4.24Å; F223-T278 WeakPolarHBondContact CE1-OG1 3.48Å; F223-F287 HydrophobicContact CD1-CD1 4.05Å; F223-F287 HydrophobicContact CD1-CE1 4.05Å; F223-F287 HydrophobicContact CE1-CD1 4.1Å; F223-F287 AromaticContact CE1-CE1 3.94Å; F223-F287 HydrophobicContact CE1-CE1 3.94Å
224	S	95.1	Very high	94.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	163.5	178.1	85.3	0	0	0	0	111.4	I226 E238 K274	S224-I226 WeakPolarHBondContact OG-CD1 3.34Å; S224-E238 PolarHBondContact N-O 3.26Å; S224-E238 WeakPolarHBondContact O-CB 3.05Å; S224-E238 PolarHBondContact O-N 2.97Å; S224-E238 WeakPolarHBondContact OG-CB 3.44Å; S224-E238 PolarHBondContact OG-OE2 3.02Å; S224-K274 WeakPolarHBondContact OG-CE 3.26Å; S224-K274 PolarHBondContact OG-NZ 3.47Å
225	L	97.1	Very high	94.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.5	179.2	-66.4	177.6	0	0	0	108.3	I222 V237 L256 L259 L260 V271 H272 V273 K274	I222-L225 HydrophobicContact CG2-CD2 3.96Å; I222-L225 HydrophobicContact CG2-CG 4.34Å; L225-V237 HydrophobicContact CD2-CB 4.35Å; L225-V237 HydrophobicContact CD2-CG1 3.98Å; L225-V237 HydrophobicContact CD2-CG2 3.99Å; L225-L256 HydrophobicContact CB-CD2 3.94Å; L225-L256 HydrophobicContact CD1-CD2 4.39Å; L225-L256 HydrophobicContact CD2-CD2 4.5Å; L225-L259 HydrophobicContact CD1-CB 3.86Å; L225-L259 HydrophobicContact CD2-CB 4.4Å; L225-L259 HydrophobicContact CD2-CD1 4.15Å; L225-L260 HydrophobicContact CD1-CB 4.06Å; L225-L260 HydrophobicContact CD1-CD1 4.5Å; L225-V271 HydrophobicContact CD1-CG2 4.36Å; L225-V271 HydrophobicContact CG-CG2 4.24Å; L225-H272 PolarHBondContact N-O 3.42Å; L225-V273 HydrophobicContact CB-CG2 3.68Å; L225-V273 HydrophobicContact CD1-CG2 4.23Å; L225-V273 CarbonylContact O-C 3.54Å; L225-V273 WeakPolarHBondContact O-CA 3.31Å; L225-K274 PolarHBondContact O-N 3.45Å
226	I	96.8	Very high	94.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.5	-174	-42.7	-54.5	0	0	0	108.8	S224 F235 Y236 L244 K274 M275 P277	S224-I226 WeakPolarHBondContact OG-CD1 3.34Å; I226-F235 CarbonylContact O-C 3.57Å; I226-F235 WeakPolarHBondContact O-CA 3.03Å; I226-F235 VanDerWaalsContact O-CB 3.26Å; I226-F235 WeakPolarHBondContact O-CB 3.27Å; I226-Y236 HydrophobicContact CB-CD2 3.74Å; I226-Y236 HydrophobicContact CB-CG 4.14Å; I226-Y236 HydrophobicContact CG1-CD2 4.45Å; I226-Y236 HydrophobicContact CG1-CG 4.43Å; I226-Y236 HydrophobicContact CG2-CD2 3.79Å; I226-Y236 HydrophobicContact CG2-CE2 4.46Å; I226-Y236 PolarHBondContact N-O 2.9Å; I226-Y236 PolarHBondContact O-N 3.05Å; I226-L244 HydrophobicContact CG1-CD1 4.39Å; I226-K274 WeakPolarHBondContact CA-O 3.24Å; I226-K274 HydrophobicContact CD1-CD 3.93Å; I226-K274 HydrophobicContact CD1-CG 3.5Å; I226-M275 WeakPolarHBondContact CG2-O 3.26Å; I226-P277 HydrophobicContact CG1-CG 4.41Å; I226-P277 HydrophobicContact CG2-CG 4.24Å
227	R	95	Very high	94.8	Very high	8 Å²	8	30.2 Å²	30.2	3%	0.03	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	110.5	175	-174.3	-177.3	-173.3	-100.2	9.3	108.4	E229 D253 L256 V273 K274 E409	R227-E229 IonicContact NH1-OE1 2.9Å; R227-E229 PolarHBondContact NH1-OE1 3.18Å; R227-E229 PolarHBondContact O-N 2.78Å; R227-D253 IonicContact CZ-OD1 3.86Å; R227-D253 IonicContact CZ-OD2 3.75Å; R227-D253 IonicContact NE-OD1 2.85Å; R227-D253 PolarHBondContact NE-OD1 2.79Å; R227-D253 IonicContact NE-OD2 2.65Å; R227-D253 PolarHBondContact NE-OD2 2.92Å; R227-D253 IonicContact NH2-OD1 2.7Å; R227-D253 IonicContact NH2-OD2 3.44Å; R227-D253 PolarHBondContact NH2-OD2 2.97Å; R227-L256 HydrophobicContact CB-CD1 3.82Å; R227-L256 HydrophobicContact CG-CD1 3.86Å; R227-V273 HydrophobicContact CB-CG1 3.81Å; R227-K274 PolarHBondContact N-O 3.28Å; R227-E409 IonicContact CZ-OE2 2.71Å; R227-E409 IonicContact NH1-OE2 3.7Å; R227-E409 PolarHBondContact NH1-OE2 2.91Å; R227-E409 IonicContact NH2-OE2 3.57Å; R227-E409 PolarHBondContact NH2-OE2 3.28Å
228	C	94.1	Very high	94.8	Very high	21 Å²	21	29.7 Å²	29.7	14%	0.142	16%	0.161	C	C	.	.			trans	-72.5	127.7	-177.6	-167	0	0	0	0	111.1	L234 R252	C228-L234 HydrophobicContact CB-CB 3.96Å; C228-L234 HydrophobicContact CB-CD2 4.21Å; C228-L234 HydrophobicContact CB-CG 4.12Å; C228-L234 VanDerWaalsContact CB-O 3.29Å; C228-L234 WeakPolarHBondContact CB-O 3.49Å; C228-L234 PolarHBondContact N-O 2.95Å; C228-R252 PolarHBondContact O-NH1 3.08Å
229	E	90	Very high	94.8	Very high	74 Å²	74	29.7 Å²	29.7	35%	0.346	16%	0.161	S	C	.	.	S	Bend	trans	-72.9	-34.8	176.8	-72.6	-71.2	105.4	0	0	112.3	R227 M275 N408	R227-E229 IonicContact NH1-OE1 2.9Å; R227-E229 PolarHBondContact NH1-OE1 3.18Å; R227-E229 PolarHBondContact O-N 2.78Å; E229-M275 HydrophobicContact CG-CB 4.25Å; E229-M275 HydrophobicContact CG-CG 3.82Å; E229-M275 HydrophobicContact CG-SD 4.18Å; E229-N408 PolarHBondContact OE2-ND2 2.6Å
230	N	91.7	Very high	94.6	Very high	159 Å²	159	31.2 Å²	31.2	85%	0.85	17%	0.168	S	C	*	.	S	Bend	trans	-85.4	-13.7	-173.7	-62.6	-34.4	0	0	0	113.7
231	D	93.8	Very high	94.3	Very high	33 Å²	33	30.6 Å²	30.6	18%	0.176	16%	0.16	C	C	.	.			trans	-136.6	112	179.5	-179.1	-29.1	0	0	0	109.4	Q233 L234 K248 R252	D231-Q233 PolarHBondContact O-N 3.28Å; D231-Q233 VanDerWaalsContact O-N 3.11Å; D231-Q233 PolarHBondContact OD1-N 3.12Å; D231-L234 HydrophobicContact CB-CB 3.62Å; D231-L234 HydrophobicContact CB-CD2 4.14Å; D231-L234 VanDerWaalsContact CG-CB 3.42Å; D231-L234 PolarHBondContact O-N 2.99Å; D231-L234 PolarHBondContact OD1-N 3.03Å; D231-L234 VanDerWaalsContact OD1-N 3.12Å; D231-K248 VanDerWaalsContact OD2-CE 3.27Å; D231-K248 WeakPolarHBondContact OD2-CE 3.42Å; D231-K248 IonicContact OD2-NZ 2.71Å; D231-K248 PolarHBondContact OD2-NZ 3.36Å; D231-R252 PolarHBondContact O-NH1 2.96Å
232	P	91	Very high	93.9	Very high	99 Å²	99	32 Å²	32	64%	0.643	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-12.6	-173.4	28.2	-35.4	0	0	0	113.8	R252	P232-R252 VanDerWaalsContact CA-NH1 3.35Å; P232-R252 WeakPolarHBondContact O-CD 3.3Å; P232-R252 PolarHBondContact O-NE 3.3Å; P232-R252 PolarHBondContact O-NH1 3.38Å
233	Q	95	Very high	93.7	Very high	76 Å²	76	35.1 Å²	35.1	36%	0.355	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-23.3	179.5	-63.7	-178.2	-16.6	0	0	112.6	D231 K248 S249	D231-Q233 PolarHBondContact O-N 3.28Å; D231-Q233 VanDerWaalsContact O-N 3.11Å; D231-Q233 PolarHBondContact OD1-N 3.12Å; Q233-K248 HydrophobicContact CB-CB 4.33Å; Q233-K248 CarbonylContact O-C 3.51Å; Q233-K248 VanDerWaalsContact O-CA 3.3Å; Q233-K248 WeakPolarHBondContact O-CA 3.43Å; Q233-S249 VanDerWaalsContact CA-O 3.3Å; Q233-S249 WeakPolarHBondContact CA-O 3.3Å; Q233-S249 WeakPolarHBondContact CB-O 3.26Å; Q233-S249 PolarHBondContact O-N 2.79Å
234	L	97.1	Very high	93.7	Very high	20 Å²	20	38 Å²	38	11%	0.105	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.5	-173.4	-175.4	61.7	0	0	0	112.1	I184 C228 D231 Y236 T246 Y247 K248 R252	I184-L234 HydrophobicContact CD1-CD1 4.29Å; C228-L234 HydrophobicContact CB-CB 3.96Å; C228-L234 HydrophobicContact CB-CD2 4.21Å; C228-L234 HydrophobicContact CB-CG 4.12Å; C228-L234 VanDerWaalsContact CB-O 3.29Å; C228-L234 WeakPolarHBondContact CB-O 3.49Å; C228-L234 PolarHBondContact N-O 2.95Å; D231-L234 HydrophobicContact CB-CB 3.62Å; D231-L234 HydrophobicContact CB-CD2 4.14Å; D231-L234 VanDerWaalsContact CG-CB 3.42Å; D231-L234 PolarHBondContact O-N 2.99Å; D231-L234 PolarHBondContact OD1-N 3.03Å; D231-L234 VanDerWaalsContact OD1-N 3.12Å; L234-Y236 HydrophobicContact CD1-CE2 4.44Å; L234-Y236 HydrophobicContact CD2-CE2 4.14Å; L234-Y236 WeakPolarHBondContact CD2-OH 3.27Å; L234-Y236 HydrophobicContact CG-CE2 3.92Å; L234-T246 HydrophobicContact CD1-CG2 3.53Å; L234-Y247 WeakPolarHBondContact CA-O 3.26Å; L234-Y247 WeakPolarHBondContact CD1-O 3.45Å; L234-K248 HydrophobicContact CD1-CG 4.08Å; L234-R252 VanDerWaalsContact O-CD 3.25Å; L234-R252 WeakPolarHBondContact O-CD 3.47Å
235	F	97.6	Very high	93.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	162.3	171.2	69	-77.1	0	0	0	111.4	V181 L196 I226 V237 Y247 R252 V255 L256	V181-F235 HydrophobicContact CG1-CZ 4.31Å; L196-F235 HydrophobicContact CD2-CE2 4.41Å; L196-F235 HydrophobicContact CD2-CZ 4.15Å; I226-F235 CarbonylContact O-C 3.57Å; I226-F235 WeakPolarHBondContact O-CA 3.03Å; I226-F235 VanDerWaalsContact O-CB 3.26Å; I226-F235 WeakPolarHBondContact O-CB 3.27Å; F235-V237 HydrophobicContact CD2-CG2 4.37Å; F235-V237 HydrophobicContact CE2-CG2 4.2Å; F235-Y247 WeakPolarHBondContact CD1-O 3.21Å; F235-Y247 HydrophobicContact CD2-CD2 4.32Å; F235-Y247 HydrophobicContact CE1-CG 4.4Å; F235-Y247 AromaticContact CE2-CD2 3.7Å; F235-Y247 HydrophobicContact CE2-CD2 3.7Å; F235-Y247 HydrophobicContact CE2-CG 4.12Å; F235-Y247 AromaticContact CZ-CD2 3.94Å; F235-Y247 HydrophobicContact CZ-CD2 3.94Å; F235-Y247 AromaticContact CZ-CG 3.87Å; F235-Y247 HydrophobicContact CZ-CG 3.87Å; F235-Y247 PolarHBondContact N-O 3.18Å; F235-Y247 PolarHBondContact O-N 3.16Å; F235-Y247 VanDerWaalsContact O-O 3.13Å; F235-R252 HydrophobicContact CB-CG 3.79Å; F235-R252 HydrophobicContact CD1-CB 4.42Å; F235-R252 HydrophobicContact CD1-CG 3.7Å; F235-R252 HydrophobicContact CG-CG 4.02Å; F235-V255 HydrophobicContact CE1-CG1 4.46Å; F235-V255 HydrophobicContact CE2-CG1 3.76Å; F235-V255 HydrophobicContact CZ-CB 4.28Å; F235-V255 HydrophobicContact CZ-CG1 3.61Å; F235-L256 HydrophobicContact CB-CD1 4.29Å; F235-L256 HydrophobicContact CB-CD2 4.1Å; F235-L256 HydrophobicContact CB-CG 4.41Å; F235-L256 HydrophobicContact CD2-CD2 3.9Å; F235-L256 HydrophobicContact CG-CD2 4.28Å
236	Y	98	Very high	93.9	Very high	52 Å²	52	40 Å²	40	20%	0.204	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.1	177.6	-44.6	-110.4	0	0	0	110.9	I226 L234 L244 N245 T246	I226-Y236 HydrophobicContact CB-CD2 3.74Å; I226-Y236 HydrophobicContact CB-CG 4.14Å; I226-Y236 HydrophobicContact CG1-CD2 4.45Å; I226-Y236 HydrophobicContact CG1-CG 4.43Å; I226-Y236 HydrophobicContact CG2-CD2 3.79Å; I226-Y236 HydrophobicContact CG2-CE2 4.46Å; I226-Y236 PolarHBondContact N-O 2.9Å; I226-Y236 PolarHBondContact O-N 3.05Å; L234-Y236 HydrophobicContact CD1-CE2 4.44Å; L234-Y236 HydrophobicContact CD2-CE2 4.14Å; L234-Y236 WeakPolarHBondContact CD2-OH 3.27Å; L234-Y236 HydrophobicContact CG-CE2 3.92Å; Y236-L244 HydrophobicContact CD1-CD1 4.36Å; Y236-L244 HydrophobicContact CD1-CD2 3.74Å; Y236-L244 HydrophobicContact CD1-CG 3.91Å; Y236-L244 HydrophobicContact CE1-CD2 4.3Å; Y236-L244 HydrophobicContact CG-CD1 4.33Å; Y236-L244 HydrophobicContact CG-CD2 4.39Å; Y236-L244 HydrophobicContact CG-CG 4.37Å; Y236-N245 CarbonylContact C-O 3.59Å; Y236-N245 WeakPolarHBondContact CA-O 3.49Å; Y236-T246 HydrophobicContact CD1-CG2 3.79Å; Y236-T246 VanDerWaalsContact CD1-OG1 3.24Å; Y236-T246 WeakPolarHBondContact CD1-OG1 3.46Å; Y236-T246 HydrophobicContact CE1-CG2 3.51Å; Y236-T246 WeakPolarHBondContact CE1-OG1 3.42Å
237	V	97.9	Very high	94	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	112.4	170.5	-174.3	0	0	0	0	107.2	L203 I222 L225 F235 F239 N245 Y247 L259	L203-V237 HydrophobicContact CD2-CG1 4.36Å; L203-V237 HydrophobicContact CD2-CG2 4.5Å; I222-V237 HydrophobicContact CD1-CG1 4.09Å; I222-V237 HydrophobicContact CG1-CG1 3.9Å; I222-V237 HydrophobicContact CG2-CG1 4.03Å; L225-V237 HydrophobicContact CD2-CB 4.35Å; L225-V237 HydrophobicContact CD2-CG1 3.98Å; L225-V237 HydrophobicContact CD2-CG2 3.99Å; F235-V237 HydrophobicContact CD2-CG2 4.37Å; F235-V237 HydrophobicContact CE2-CG2 4.2Å; V237-F239 HydrophobicContact CB-CE2 4Å; V237-F239 HydrophobicContact CB-CZ 4.01Å; V237-F239 HydrophobicContact CG1-CD2 4.49Å; V237-F239 HydrophobicContact CG1-CE1 3.88Å; V237-F239 HydrophobicContact CG1-CE2 3.73Å; V237-F239 HydrophobicContact CG1-CZ 3.35Å; V237-F239 WeakPolarHBondContact O-CD2 3.39Å; V237-F239 WeakPolarHBondContact O-CE2 3.04Å; V237-N245 HydrophobicContact CB-CB 4.48Å; V237-N245 PolarHBondContact N-O 3.2Å; V237-N245 PolarHBondContact O-N 3.39Å; V237-Y247 HydrophobicContact CB-CE2 4.45Å; V237-Y247 HydrophobicContact CG2-CD2 4.26Å; V237-Y247 HydrophobicContact CG2-CE2 3.93Å; V237-L259 HydrophobicContact CG2-CD1 4.25Å
238	E	95.7	Very high	94.1	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.033	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131	179.6	-168.1	175.7	-137.9	0	0	109.2	F223 S224 L244 K274 T278	F223-E238 HydrophobicContact CD1-CG 4.03Å; F223-E238 VanDerWaalsContact CD1-OE2 3.24Å; F223-E238 WeakPolarHBondContact CD1-OE2 3.37Å; F223-E238 PolarHBondContact N-O 2.89Å; S224-E238 PolarHBondContact N-O 3.26Å; S224-E238 WeakPolarHBondContact O-CB 3.05Å; S224-E238 PolarHBondContact O-N 2.97Å; S224-E238 WeakPolarHBondContact OG-CB 3.44Å; S224-E238 PolarHBondContact OG-OE2 3.02Å; E238-L244 HydrophobicContact CB-CD1 3.84Å; E238-L244 HydrophobicContact CG-CD1 4.17Å; E238-K274 IonicContact OE2-NZ 3.21Å; E238-K274 PolarHBondContact OE2-NZ 3Å; E238-T278 WeakPolarHBondContact OE1-CB 3.42Å; E238-T278 PolarHBondContact OE1-N 2.83Å; E238-T278 PolarHBondContact OE1-OG1 3.34Å; E238-T278 PolarHBondContact OE2-OG1 3.01Å
239	F	94.1	Very high	94.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	155.7	-176.9	-62.8	-84.8	0	0	0	111.8	L203 K217 S221 I222 V237 N241 G242 I243 N245	L203-F239 HydrophobicContact CD2-CZ 4.33Å; K217-F239 HydrophobicContact CB-CE1 3.86Å; K217-F239 HydrophobicContact CB-CZ 4.35Å; K217-F239 HydrophobicContact CD-CD1 3.75Å; K217-F239 HydrophobicContact CD-CD2 3.97Å; K217-F239 HydrophobicContact CD-CE1 3.34Å; K217-F239 HydrophobicContact CD-CE2 3.6Å; K217-F239 HydrophobicContact CD-CG 4.07Å; K217-F239 HydrophobicContact CD-CZ 3.28Å; K217-F239 HydrophobicContact CG-CE1 4.26Å; K217-F239 HydrophobicContact CG-CZ 4.41Å; S221-F239 CarbonylContact O-C 3.53Å; S221-F239 WeakPolarHBondContact O-CA 3.27Å; S221-F239 WeakPolarHBondContact O-CB 3.49Å; S221-F239 WeakPolarHBondContact O-CD1 3.4Å; S221-F239 VanDerWaalsContact OG-CD1 3.3Å; S221-F239 WeakPolarHBondContact OG-CD1 3.25Å; I222-F239 HydrophobicContact CG1-CD1 4.03Å; I222-F239 HydrophobicContact CG1-CE1 3.59Å; I222-F239 HydrophobicContact CG1-CZ 4.42Å; V237-F239 HydrophobicContact CB-CE2 4Å; V237-F239 HydrophobicContact CB-CZ 4.01Å; V237-F239 HydrophobicContact CG1-CD2 4.49Å; V237-F239 HydrophobicContact CG1-CE1 3.88Å; V237-F239 HydrophobicContact CG1-CE2 3.73Å; V237-F239 HydrophobicContact CG1-CZ 3.35Å; V237-F239 WeakPolarHBondContact O-CD2 3.39Å; V237-F239 WeakPolarHBondContact O-CE2 3.04Å; F239-N241 VanDerWaalsContact CB-OD1 3.25Å; F239-N241 WeakPolarHBondContact CB-OD1 3.43Å; F239-N241 PolarHBondContact O-N 3.38Å; F239-G242 PolarHBondContact O-N 3.44Å; F239-I243 HydrophobicContact CB-CB 4.45Å; F239-I243 HydrophobicContact CD2-CB 4.2Å; F239-I243 HydrophobicContact CD2-CG2 4.17Å; F239-I243 WeakPolarHBondContact CD2-O 3.35Å; F239-I243 PolarHBondContact N-O 3.21Å; F239-N245 HydrophobicContact CE2-CB 4.02Å
240	F	91.3	Very high	94.4	Very high	33 Å²	33	43.8 Å²	43.8	15%	0.145	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.8	177.7	-78.1	-75.9	0	0	0	114.6	S221 I222 F223 G242 D270 F287 F288 F290	S221-F240 WeakPolarHBondContact O-CD2 3.43Å; S221-F240 PolarHBondContact O-N 2.76Å; I222-F240 WeakPolarHBondContact O-CE2 3.26Å; F223-F240 HydrophobicContact CB-CD1 4.11Å; F223-F240 HydrophobicContact CB-CD2 4.15Å; F223-F240 HydrophobicContact CB-CE1 4.28Å; F223-F240 HydrophobicContact CB-CE2 4.27Å; F223-F240 HydrophobicContact CB-CG 4.06Å; F223-F240 HydrophobicContact CB-CZ 4.34Å; F223-F240 AromaticContact CD2-CD1 3.75Å; F223-F240 HydrophobicContact CD2-CD1 3.75Å; F223-F240 AromaticContact CD2-CE1 3.36Å; F223-F240 HydrophobicContact CD2-CE1 3.36Å; F223-F240 AromaticContact CD2-CZ 3.81Å; F223-F240 HydrophobicContact CD2-CZ 3.81Å; F223-F240 HydrophobicContact CE2-CE1 4.12Å; F223-F240 HydrophobicContact CG-CD1 4.28Å; F223-F240 HydrophobicContact CG-CE1 4.24Å; F240-G242 VanDerWaalsContact C-N 3.34Å; F240-D270 HydrophobicContact CZ-CB 4.28Å; F240-F287 WeakPolarHBondContact CD1-O 3.29Å; F240-F287 CarbonylContact O-C 3.01Å; F240-F287 WeakPolarHBondContact O-CB 3.41Å; F240-F288 WeakPolarHBondContact O-CA 3.49Å; F240-F288 PolarHBondContact O-N 2.8Å; F240-F290 HydrophobicContact CE1-CE1 4.14Å; F240-F290 HydrophobicContact CE1-CZ 4.11Å
241	N	86.7	Confident	94.4	Very high	43 Å²	43	40 Å²	40	23%	0.23	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	8.4	172.3	63.9	-0.8	0	0	0	113.2	F239 I243	F239-N241 VanDerWaalsContact CB-OD1 3.25Å; F239-N241 WeakPolarHBondContact CB-OD1 3.43Å; F239-N241 PolarHBondContact O-N 3.38Å; N241-I243 VanDerWaalsContact C-N 3.27Å; N241-I243 VanDerWaalsContact ND2-CD1 3.29Å; N241-I243 WeakPolarHBondContact ND2-CD1 3.19Å; N241-I243 PolarHBondContact O-N 2.98Å; N241-I243 WeakPolarHBondContact OD1-CB 3.37Å; N241-I243 VanDerWaalsContact OD1-CG1 3.3Å; N241-I243 WeakPolarHBondContact OD1-CG1 3.22Å; N241-I243 PolarHBondContact OD1-N 3.19Å
242	G	86.2	Confident	94.4	Very high	37 Å²	37	39.1 Å²	39.1	38%	0.381	21%	0.214	S	C	.	.	S	Bend	trans	80.4	0.9	-178.8	0	0	0	0	0	114.5	F239 F240	F239-G242 PolarHBondContact O-N 3.44Å; F240-G242 VanDerWaalsContact C-N 3.34Å
243	I	90.1	Very high	94.3	Very high	67 Å²	67	35.4 Å²	35.4	34%	0.344	19%	0.189	S	C	.	.			trans	-69.8	136.1	174.3	-63.5	178.2	0	0	0	109	F239 N241	F239-I243 HydrophobicContact CB-CB 4.45Å; F239-I243 HydrophobicContact CD2-CB 4.2Å; F239-I243 HydrophobicContact CD2-CG2 4.17Å; F239-I243 WeakPolarHBondContact CD2-O 3.35Å; F239-I243 PolarHBondContact N-O 3.21Å; N241-I243 VanDerWaalsContact C-N 3.27Å; N241-I243 VanDerWaalsContact ND2-CD1 3.29Å; N241-I243 WeakPolarHBondContact ND2-CD1 3.19Å; N241-I243 PolarHBondContact O-N 2.98Å; N241-I243 WeakPolarHBondContact OD1-CB 3.37Å; N241-I243 VanDerWaalsContact OD1-CG1 3.3Å; N241-I243 WeakPolarHBondContact OD1-CG1 3.22Å; N241-I243 PolarHBondContact OD1-N 3.19Å
244	L	94.6	Very high	94.1	Very high	67 Å²	67	33.3 Å²	33.3	35%	0.351	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113	172	-169.7	70.2	0	0	0	108.9	I226 Y236 E238 P277	I226-L244 HydrophobicContact CG1-CD1 4.39Å; Y236-L244 HydrophobicContact CD1-CD1 4.36Å; Y236-L244 HydrophobicContact CD1-CD2 3.74Å; Y236-L244 HydrophobicContact CD1-CG 3.91Å; Y236-L244 HydrophobicContact CE1-CD2 4.3Å; Y236-L244 HydrophobicContact CG-CD1 4.33Å; Y236-L244 HydrophobicContact CG-CD2 4.39Å; Y236-L244 HydrophobicContact CG-CG 4.37Å; E238-L244 HydrophobicContact CB-CD1 3.84Å; E238-L244 HydrophobicContact CG-CD1 4.17Å; L244-P277 HydrophobicContact CD2-CB 4.23Å; L244-P277 HydrophobicContact CD2-CG 4.17Å
245	N	97	Very high	93.9	Very high	17 Å²	17	32.4 Å²	32.4	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.1	173	-83.8	-6.4	0	0	0	109.8	K217 Y236 V237 F239 Y247	K217-N245 PolarHBondContact NZ-ND2 3.04Å; K217-N245 PolarHBondContact NZ-OD1 3.14Å; Y236-N245 CarbonylContact C-O 3.59Å; Y236-N245 WeakPolarHBondContact CA-O 3.49Å; V237-N245 HydrophobicContact CB-CB 4.48Å; V237-N245 PolarHBondContact N-O 3.2Å; V237-N245 PolarHBondContact O-N 3.39Å; F239-N245 HydrophobicContact CE2-CB 4.02Å; N245-Y247 HydrophobicContact CB-CD2 4.4Å; N245-Y247 HydrophobicContact CB-CE2 3.48Å; N245-Y247 VanDerWaalsContact CB-CE2 3.48Å; N245-Y247 PolarHBondContact ND2-OH 3.22Å
246	T	98	Very high	93.7	Very high	27 Å²	27	32.4 Å²	32.4	17%	0.166	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.1	-178.6	-49.9	0	0	0	0	111.4	I184 L234 Y236	I184-T246 HydrophobicContact CB-CG2 3.94Å; I184-T246 HydrophobicContact CD1-CG2 4.18Å; I184-T246 HydrophobicContact CG1-CG2 4.42Å; I184-T246 PolarHBondContact N-O 3.35Å; L234-T246 HydrophobicContact CD1-CG2 3.53Å; Y236-T246 HydrophobicContact CD1-CG2 3.79Å; Y236-T246 VanDerWaalsContact CD1-OG1 3.24Å; Y236-T246 WeakPolarHBondContact CD1-OG1 3.46Å; Y236-T246 HydrophobicContact CE1-CG2 3.51Å; Y236-T246 WeakPolarHBondContact CE1-OG1 3.42Å
247	Y	98.5	Very high	93.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154	-179.4	-55.5	-83.1	0	0	0	111.9	V181 E182 K183 L196 E205 L234 F235 V237 N245	V181-Y247 HydrophobicContact CB-CD1 4.43Å; V181-Y247 HydrophobicContact CG2-CD1 3.72Å; V181-Y247 HydrophobicContact CG2-CE1 4.32Å; V181-Y247 HydrophobicContact CG2-CG 4.49Å; E182-Y247 CarbonylContact O-C 3.55Å; E182-Y247 VanDerWaalsContact O-CA 3.27Å; E182-Y247 WeakPolarHBondContact O-CA 3.48Å; K183-Y247 HydrophobicContact CB-CD1 4.01Å; K183-Y247 HydrophobicContact CB-CE1 4.1Å; K183-Y247 HydrophobicContact CD-CE1 4.02Å; K183-Y247 HydrophobicContact CG-CD1 4.25Å; K183-Y247 HydrophobicContact CG-CE1 4.04Å; L196-Y247 HydrophobicContact CD1-CE1 4.2Å; E205-Y247 PolarHBondContact OE1-OH 3.12Å; L234-Y247 WeakPolarHBondContact CA-O 3.26Å; L234-Y247 WeakPolarHBondContact CD1-O 3.45Å; F235-Y247 WeakPolarHBondContact CD1-O 3.21Å; F235-Y247 HydrophobicContact CD2-CD2 4.32Å; F235-Y247 HydrophobicContact CE1-CG 4.4Å; F235-Y247 AromaticContact CE2-CD2 3.7Å; F235-Y247 HydrophobicContact CE2-CD2 3.7Å; F235-Y247 HydrophobicContact CE2-CG 4.12Å; F235-Y247 AromaticContact CZ-CD2 3.94Å; F235-Y247 HydrophobicContact CZ-CD2 3.94Å; F235-Y247 AromaticContact CZ-CG 3.87Å; F235-Y247 HydrophobicContact CZ-CG 3.87Å; F235-Y247 PolarHBondContact N-O 3.18Å; F235-Y247 PolarHBondContact O-N 3.16Å; F235-Y247 VanDerWaalsContact O-O 3.13Å; V237-Y247 HydrophobicContact CB-CE2 4.45Å; V237-Y247 HydrophobicContact CG2-CD2 4.26Å; V237-Y247 HydrophobicContact CG2-CE2 3.93Å; N245-Y247 HydrophobicContact CB-CD2 4.4Å; N245-Y247 HydrophobicContact CB-CE2 3.48Å; N245-Y247 VanDerWaalsContact CB-CE2 3.48Å; N245-Y247 PolarHBondContact ND2-OH 3.22Å
248	K	98.1	Very high	93	Very high	53 Å²	53	32.9 Å²	32.9	23%	0.23	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.4	164.3	-69.2	-171.6	168.2	-146.3	0	110.6	V181 E182 I184 D231 Q233 L234	V181-K248 CarbonylContact C-O 3.58Å; V181-K248 VanDerWaalsContact CA-O 3.29Å; V181-K248 WeakPolarHBondContact CA-O 3.15Å; E182-K248 HydrophobicContact CB-CB 4.32Å; E182-K248 PolarHBondContact N-O 3.26Å; E182-K248 PolarHBondContact O-N 2.81Å; I184-K248 HydrophobicContact CD1-CD 4.08Å; I184-K248 HydrophobicContact CD1-CG 3.97Å; D231-K248 VanDerWaalsContact OD2-CE 3.27Å; D231-K248 WeakPolarHBondContact OD2-CE 3.42Å; D231-K248 IonicContact OD2-NZ 2.71Å; D231-K248 PolarHBondContact OD2-NZ 3.36Å; Q233-K248 HydrophobicContact CB-CB 4.33Å; Q233-K248 CarbonylContact O-C 3.51Å; Q233-K248 VanDerWaalsContact O-CA 3.3Å; Q233-K248 WeakPolarHBondContact O-CA 3.43Å; L234-K248 HydrophobicContact CD1-CG 4.08Å
249	S	96.8	Very high	92.9	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.042	18%	0.182	C	C	.	.			trans	-152.3	142.3	172.1	-172.2	0	0	0	0	111.2	C180 Q233 E251 R252	C180-S249 PolarHBondContact O-OG 3.05Å; Q233-S249 VanDerWaalsContact CA-O 3.3Å; Q233-S249 WeakPolarHBondContact CA-O 3.3Å; Q233-S249 WeakPolarHBondContact CB-O 3.26Å; Q233-S249 PolarHBondContact O-N 2.79Å; S249-E251 PolarHBondContact O-N 3.1Å; S249-E251 PolarHBondContact OG-N 3.04Å; S249-E251 VanDerWaalsContact OG-N 3.15Å; S249-R252 PolarHBondContact O-N 3.31Å
250	V	94.2	Very high	92.8	Very high	123 Å²	123	32.7 Å²	32.7	75%	0.745	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.1	168.1	-66.3	0	0	0	0	111.8
251	E	91.5	Very high	92.7	Very high	80 Å²	80	35 Å²	35	37%	0.374	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	27.9	176.9	-62.9	-169.4	87.6	0	0	112	S249 D253 N254 V255	S249-E251 PolarHBondContact O-N 3.1Å; S249-E251 PolarHBondContact OG-N 3.04Å; S249-E251 VanDerWaalsContact OG-N 3.15Å; E251-D253 VanDerWaalsContact C-N 3.25Å; E251-D253 PolarHBondContact O-N 3.13Å; E251-D253 VanDerWaalsContact O-N 3.09Å; E251-N254 HydrophobicContact CB-CB 4.12Å; E251-N254 WeakPolarHBondContact O-CA 3.4Å; E251-N254 WeakPolarHBondContact O-CB 3.25Å; E251-N254 PolarHBondContact O-N 3.21Å; E251-N254 PolarHBondContact OE1-ND2 2.9Å; E251-V255 WeakPolarHBondContact O-CG2 3.39Å; E251-V255 PolarHBondContact O-N 3.42Å
252	R	93.1	Very high	93	Very high	14 Å²	14	34.1 Å²	34.1	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-42.6	-51.3	-175.3	-177	-163.7	66.6	-166.4	-12.6	112.8	C228 D231 P232 L234 F235 S249 V255 L256	C228-R252 PolarHBondContact O-NH1 3.08Å; D231-R252 PolarHBondContact O-NH1 2.96Å; P232-R252 VanDerWaalsContact CA-NH1 3.35Å; P232-R252 WeakPolarHBondContact O-CD 3.3Å; P232-R252 PolarHBondContact O-NE 3.3Å; P232-R252 PolarHBondContact O-NH1 3.38Å; L234-R252 VanDerWaalsContact O-CD 3.25Å; L234-R252 WeakPolarHBondContact O-CD 3.47Å; F235-R252 HydrophobicContact CB-CG 3.79Å; F235-R252 HydrophobicContact CD1-CB 4.42Å; F235-R252 HydrophobicContact CD1-CG 3.7Å; F235-R252 HydrophobicContact CG-CG 4.02Å; S249-R252 PolarHBondContact O-N 3.31Å; R252-V255 WeakPolarHBondContact O-CB 3.3Å; R252-V255 PolarHBondContact O-N 3.07Å; R252-L256 HydrophobicContact CG-CD1 3.99Å; R252-L256 HydrophobicContact CG-CG 4.47Å; R252-L256 VanDerWaalsContact O-CG 3.3Å; R252-L256 WeakPolarHBondContact O-CG 3.38Å; R252-L256 PolarHBondContact O-N 2.71Å
253	D	89.8	Confident	93.3	Very high	21 Å²	21	32.4 Å²	32.4	11%	0.112	18%	0.178	C	C	.	.	H	α-helix	trans	-69.9	-35	-175.7	-70.3	-0.3	0	0	0	111.7	R227 E251 V255 L256 V257	R227-D253 IonicContact CZ-OD1 3.86Å; R227-D253 IonicContact CZ-OD2 3.75Å; R227-D253 IonicContact NE-OD1 2.85Å; R227-D253 PolarHBondContact NE-OD1 2.79Å; R227-D253 IonicContact NE-OD2 2.65Å; R227-D253 PolarHBondContact NE-OD2 2.92Å; R227-D253 IonicContact NH2-OD1 2.7Å; R227-D253 IonicContact NH2-OD2 3.44Å; R227-D253 PolarHBondContact NH2-OD2 2.97Å; E251-D253 VanDerWaalsContact C-N 3.25Å; E251-D253 PolarHBondContact O-N 3.13Å; E251-D253 VanDerWaalsContact O-N 3.09Å; D253-V255 VanDerWaalsContact C-N 3.32Å; D253-V255 PolarHBondContact O-N 2.92Å; D253-L256 PolarHBondContact O-N 3Å; D253-V257 VanDerWaalsContact O-CB 3.28Å; D253-V257 WeakPolarHBondContact O-CB 3.16Å; D253-V257 WeakPolarHBondContact O-CG2 3.34Å; D253-V257 PolarHBondContact O-N 2.91Å
254	N	88.9	Confident	93.3	Very high	33 Å²	33	31.6 Å²	31.6	18%	0.176	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-43.5	172.1	-62.8	-16.2	0	0	0	111	F179 E251 T258 H466	F179-N254 HydrophobicContact CE1-CB 3.91Å; E251-N254 HydrophobicContact CB-CB 4.12Å; E251-N254 WeakPolarHBondContact O-CA 3.4Å; E251-N254 WeakPolarHBondContact O-CB 3.25Å; E251-N254 PolarHBondContact O-N 3.21Å; E251-N254 PolarHBondContact OE1-ND2 2.9Å; N254-T258 VanDerWaalsContact O-CB 3.32Å; N254-T258 WeakPolarHBondContact O-CB 3.43Å; N254-T258 PolarHBondContact O-N 3.41Å; N254-T258 PolarHBondContact O-OG1 3.44Å; N254-H466 WeakPolarHBondContact OD1-CB 3.21Å; N254-H466 PolarHBondContact OD1-CD2 3.3Å; N254-H466 VanDerWaalsContact OD1-CD2 3.29Å; N254-H466 VanDerWaalsContact OD1-CG 3.24Å
255	V	93.1	Very high	93	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-49	177.7	177.7	0	0	0	0	110.2	F179 L196 F235 E251 R252 D253 T258 L259	F179-V255 HydrophobicContact CB-CG2 3.66Å; F179-V255 HydrophobicContact CD1-CG2 3.68Å; F179-V255 HydrophobicContact CD2-CG2 3.99Å; F179-V255 HydrophobicContact CE1-CG2 4.3Å; F179-V255 HydrophobicContact CG-CG2 3.51Å; L196-V255 HydrophobicContact CD2-CG1 3.93Å; F235-V255 HydrophobicContact CE1-CG1 4.46Å; F235-V255 HydrophobicContact CE2-CG1 3.76Å; F235-V255 HydrophobicContact CZ-CB 4.28Å; F235-V255 HydrophobicContact CZ-CG1 3.61Å; E251-V255 WeakPolarHBondContact O-CG2 3.39Å; E251-V255 PolarHBondContact O-N 3.42Å; R252-V255 WeakPolarHBondContact O-CB 3.3Å; R252-V255 PolarHBondContact O-N 3.07Å; D253-V255 VanDerWaalsContact C-N 3.32Å; D253-V255 PolarHBondContact O-N 2.92Å; V255-T258 PolarHBondContact O-N 3.34Å; V255-L259 HydrophobicContact CG1-CD1 3.76Å; V255-L259 HydrophobicContact CG1-CG 4.5Å; V255-L259 VanDerWaalsContact O-CB 3.26Å; V255-L259 WeakPolarHBondContact O-CB 3.45Å; V255-L259 WeakPolarHBondContact O-CG 3.48Å; V255-L259 PolarHBondContact O-N 3.21Å
256	L	94.1	Very high	92.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-45.7	-178.7	-69.7	174.3	0	0	0	112.4	L225 R227 F235 R252 D253 L259 L260 F468	L225-L256 HydrophobicContact CB-CD2 3.94Å; L225-L256 HydrophobicContact CD1-CD2 4.39Å; L225-L256 HydrophobicContact CD2-CD2 4.5Å; R227-L256 HydrophobicContact CB-CD1 3.82Å; R227-L256 HydrophobicContact CG-CD1 3.86Å; F235-L256 HydrophobicContact CB-CD1 4.29Å; F235-L256 HydrophobicContact CB-CD2 4.1Å; F235-L256 HydrophobicContact CB-CG 4.41Å; F235-L256 HydrophobicContact CD2-CD2 3.9Å; F235-L256 HydrophobicContact CG-CD2 4.28Å; R252-L256 HydrophobicContact CG-CD1 3.99Å; R252-L256 HydrophobicContact CG-CG 4.47Å; R252-L256 VanDerWaalsContact O-CG 3.3Å; R252-L256 WeakPolarHBondContact O-CG 3.38Å; R252-L256 PolarHBondContact O-N 2.71Å; D253-L256 PolarHBondContact O-N 3Å; L256-L259 PolarHBondContact O-N 2.98Å; L256-L260 VanDerWaalsContact O-CB 3.24Å; L256-L260 WeakPolarHBondContact O-CB 3.23Å; L256-L260 PolarHBondContact O-N 3.09Å; L256-F468 HydrophobicContact CB-CD2 4.39Å
257	V	89.3	Confident	91.7	Very high	17 Å²	17	40.1 Å²	40.1	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-56.6	-52.2	174.8	162.2	0	0	0	0	110.2	D253 L259 L260 D261 F468 L471	D253-V257 VanDerWaalsContact O-CB 3.28Å; D253-V257 WeakPolarHBondContact O-CB 3.16Å; D253-V257 WeakPolarHBondContact O-CG2 3.34Å; D253-V257 PolarHBondContact O-N 2.91Å; V257-L259 PolarHBondContact O-N 2.83Å; V257-L260 PolarHBondContact O-N 3.07Å; V257-D261 WeakPolarHBondContact O-CB 3.35Å; V257-D261 PolarHBondContact O-N 2.91Å; V257-F468 HydrophobicContact CG2-CB 4.41Å; V257-F468 HydrophobicContact CG2-CD2 3.69Å; V257-F468 HydrophobicContact CG2-CE2 4.44Å; V257-L471 HydrophobicContact CB-CD1 3.94Å; V257-L471 HydrophobicContact CG1-CD1 3.35Å; V257-L471 HydrophobicContact CG1-CG 3.75Å; V257-L471 HydrophobicContact CG2-CD1 4.23Å; V257-L471 WeakPolarHBondContact O-CD1 3.34Å
258	T	92.1	Very high	91.1	Very high	45 Å²	45	41.1 Å²	41.1	28%	0.276	23%	0.231	S	C	.	.	H	α-helix	trans	-67.2	-39.3	-176	-48.1	0	0	0	0	111.4	A177 F179 L198 N254 V255 A262	A177-T258 HydrophobicContact CB-CG2 4.22Å; F179-T258 HydrophobicContact CE2-CG2 4.2Å; F179-T258 HydrophobicContact CZ-CG2 4.24Å; F179-T258 WeakPolarHBondContact CZ-OG1 3.39Å; L198-T258 HydrophobicContact CD1-CG2 3.38Å; N254-T258 VanDerWaalsContact O-CB 3.32Å; N254-T258 WeakPolarHBondContact O-CB 3.43Å; N254-T258 PolarHBondContact O-N 3.41Å; N254-T258 PolarHBondContact O-OG1 3.44Å; V255-T258 PolarHBondContact O-N 3.34Å; T258-A262 VanDerWaalsContact O-CB 3.25Å; T258-A262 WeakPolarHBondContact O-CB 3.46Å; T258-A262 PolarHBondContact O-N 2.82Å
259	L	93.8	Very high	90.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-47.8	173.4	-88.8	167.4	0	0	0	112.2	L198 L203 L219 I222 L225 V237 V255 L256 V257 D261 A262 V263	L198-L259 HydrophobicContact CD2-CD2 3.41Å; L198-L259 VanDerWaalsContact CD2-CD2 3.41Å; L198-L259 HydrophobicContact CD2-CG 4.04Å; L203-L259 HydrophobicContact CD1-CD2 3.93Å; L203-L259 HydrophobicContact CD2-CD2 4.25Å; L219-L259 HydrophobicContact CD2-CD2 4.35Å; I222-L259 HydrophobicContact CD1-CD2 3.89Å; L225-L259 HydrophobicContact CD1-CB 3.86Å; L225-L259 HydrophobicContact CD2-CB 4.4Å; L225-L259 HydrophobicContact CD2-CD1 4.15Å; V237-L259 HydrophobicContact CG2-CD1 4.25Å; V255-L259 HydrophobicContact CG1-CD1 3.76Å; V255-L259 HydrophobicContact CG1-CG 4.5Å; V255-L259 VanDerWaalsContact O-CB 3.26Å; V255-L259 WeakPolarHBondContact O-CB 3.45Å; V255-L259 WeakPolarHBondContact O-CG 3.48Å; V255-L259 PolarHBondContact O-N 3.21Å; L256-L259 PolarHBondContact O-N 2.98Å; V257-L259 PolarHBondContact O-N 2.83Å; L259-D261 VanDerWaalsContact C-N 3.3Å; L259-D261 PolarHBondContact O-N 3.32Å; L259-A262 PolarHBondContact O-N 2.92Å; L259-V263 WeakPolarHBondContact O-CB 3.42Å; L259-V263 WeakPolarHBondContact O-CG2 3.35Å; L259-V263 PolarHBondContact O-N 3Å
260	L	92.7	Very high	90.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-45.8	-179.7	-176.7	66.7	0	0	0	110.5	L225 L256 V257 R264 V271 F468	L225-L260 HydrophobicContact CD1-CB 4.06Å; L225-L260 HydrophobicContact CD1-CD1 4.5Å; L256-L260 VanDerWaalsContact O-CB 3.24Å; L256-L260 WeakPolarHBondContact O-CB 3.23Å; L256-L260 PolarHBondContact O-N 3.09Å; V257-L260 PolarHBondContact O-N 3.07Å; L260-R264 WeakPolarHBondContact O-CB 3.32Å; L260-R264 VanDerWaalsContact O-CG 3.28Å; L260-R264 WeakPolarHBondContact O-CG 3.28Å; L260-R264 PolarHBondContact O-N 3.05Å; L260-V271 HydrophobicContact CD1-CB 4.42Å; L260-V271 HydrophobicContact CD1-CG1 3.85Å; L260-V271 HydrophobicContact CD1-CG2 3.98Å; L260-F468 HydrophobicContact CD2-CE2 3.83Å; L260-F468 HydrophobicContact CD2-CZ 3.83Å
261	D	89.3	Confident	90	Very high	81 Å²	81	36.7 Å²	36.7	43%	0.433	21%	0.207	S	C	.	.	H	α-helix	trans	-66.6	-44.4	179.2	-167.2	41.6	0	0	0	112.3	V257 L259 V263 R264 T265 L471	V257-D261 WeakPolarHBondContact O-CB 3.35Å; V257-D261 PolarHBondContact O-N 2.91Å; L259-D261 VanDerWaalsContact C-N 3.3Å; L259-D261 PolarHBondContact O-N 3.32Å; D261-V263 VanDerWaalsContact C-N 3.35Å; D261-V263 PolarHBondContact O-N 2.86Å; D261-R264 PolarHBondContact O-N 3.04Å; D261-T265 VanDerWaalsContact O-CB 3.25Å; D261-T265 WeakPolarHBondContact O-CB 3.37Å; D261-T265 PolarHBondContact O-N 2.96Å; D261-T265 PolarHBondContact O-OG1 3.13Å; D261-L471 HydrophobicContact CB-CD1 4.26Å; D261-L471 HydrophobicContact CB-CD2 4.41Å
262	A	92.1	Very high	90.1	Very high	26 Å²	26	33.1 Å²	33.1	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-41.7	178	0	0	0	0	0	112.4	L198 L219 T258 L259 R266	L198-A262 HydrophobicContact CD1-CB 4.48Å; L219-A262 HydrophobicContact CD1-CB 3.99Å; T258-A262 VanDerWaalsContact O-CB 3.25Å; T258-A262 WeakPolarHBondContact O-CB 3.46Å; T258-A262 PolarHBondContact O-N 2.82Å; L259-A262 PolarHBondContact O-N 2.92Å; A262-R266 PolarHBondContact O-N 3.11Å
263	V	93	Very high	90.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70.1	-41.5	178.6	176.9	0	0	0	0	111.1	L219 I222 L259 D261 R266 S268 V271	L219-V263 HydrophobicContact CB-CG2 4Å; L219-V263 HydrophobicContact CD2-CG2 4.1Å; I222-V263 HydrophobicContact CB-CG2 4.25Å; I222-V263 HydrophobicContact CD1-CG2 3.75Å; I222-V263 HydrophobicContact CG1-CG2 4.5Å; L259-V263 WeakPolarHBondContact O-CB 3.42Å; L259-V263 WeakPolarHBondContact O-CG2 3.35Å; L259-V263 PolarHBondContact O-N 3Å; D261-V263 VanDerWaalsContact C-N 3.35Å; D261-V263 PolarHBondContact O-N 2.86Å; V263-R266 WeakPolarHBondContact O-CB 3.48Å; V263-R266 PolarHBondContact O-N 2.8Å; V263-S268 WeakPolarHBondContact O-CB 3.43Å; V263-S268 PolarHBondContact O-N 2.77Å; V263-V271 HydrophobicContact CB-CB 4.38Å; V263-V271 HydrophobicContact CB-CG1 3.84Å; V263-V271 HydrophobicContact CB-CG2 4.47Å; V263-V271 HydrophobicContact CG1-CB 3.7Å; V263-V271 HydrophobicContact CG1-CG1 3.43Å; V263-V271 VanDerWaalsContact CG1-CG1 3.43Å; V263-V271 HydrophobicContact CG1-CG2 4.17Å
264	R	90	Very high	90.4	Very high	51 Å²	51	32.5 Å²	32.5	19%	0.192	19%	0.187	C	C	.	.	H	α-helix	trans	-69.5	-39.8	178.6	-74.8	177.3	173.4	-171.2	-7.6	113	L260 D261 R266 G267 S268 V271 E417	L260-R264 WeakPolarHBondContact O-CB 3.32Å; L260-R264 VanDerWaalsContact O-CG 3.28Å; L260-R264 WeakPolarHBondContact O-CG 3.28Å; L260-R264 PolarHBondContact O-N 3.05Å; D261-R264 PolarHBondContact O-N 3.04Å; R264-R266 PolarHBondContact O-N 2.67Å; R264-G267 WeakPolarHBondContact O-CA 3.38Å; R264-G267 PolarHBondContact O-N 3.13Å; R264-S268 WeakPolarHBondContact CA-O 3.39Å; R264-V271 HydrophobicContact CG-CG1 3.63Å; R264-V271 PolarHBondContact NH2-O 3.32Å; R264-E417 IonicContact CZ-OE2 3.94Å; R264-E417 IonicContact NH1-OE1 2.78Å; R264-E417 PolarHBondContact NH1-OE1 2.87Å; R264-E417 IonicContact NH1-OE2 3.55Å; R264-E417 PolarHBondContact NH1-OE2 2.96Å; R264-E417 IonicContact NH2-OE2 3.1Å; R264-E417 PolarHBondContact NH2-OE2 3.35Å
265	T	87	Confident	90.6	Very high	111 Å²	111	32 Å²	32	68%	0.681	18%	0.184	S	C	*	.	H	α-helix	trans	-59.9	-30.5	176	-63.6	0	0	0	0	111.6	D261 G267	D261-T265 VanDerWaalsContact O-CB 3.25Å; D261-T265 WeakPolarHBondContact O-CB 3.37Å; D261-T265 PolarHBondContact O-N 2.96Å; D261-T265 PolarHBondContact O-OG1 3.13Å; T265-G267 PolarHBondContact O-N 2.57Å
266	R	85.9	Confident	90.7	Very high	121 Å²	121	33.8 Å²	33.8	46%	0.457	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.7	173.7	-165.7	170.2	178.3	73.2	7.6	113.9	A262 V263 R264	A262-R266 PolarHBondContact O-N 3.11Å; V263-R266 WeakPolarHBondContact O-CB 3.48Å; V263-R266 PolarHBondContact O-N 2.8Å; R264-R266 PolarHBondContact O-N 2.67Å
267	G	83.4	Confident	90.7	Very high	57 Å²	57	36.4 Å²	36.4	59%	0.588	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.7	2.7	-180	0	0	0	0	0	114.6	R264 T265 V269	R264-G267 WeakPolarHBondContact O-CA 3.38Å; R264-G267 PolarHBondContact O-N 3.13Å; T265-G267 PolarHBondContact O-N 2.57Å; G267-V269 PolarHBondContact O-N 3.49Å
268	S	85.5	Confident	90.9	Very high	22 Å²	22	36.4 Å²	36.4	15%	0.154	21%	0.214	C	C	.	.			trans	-77.2	110.6	173.5	-179.4	0	0	0	0	110.1	V263 R264	V263-S268 WeakPolarHBondContact O-CB 3.43Å; V263-S268 PolarHBondContact O-N 2.77Å; R264-S268 WeakPolarHBondContact CA-O 3.39Å
269	V	83.3	Confident	90.9	Very high	62 Å²	62	37.7 Å²	37.7	38%	0.376	22%	0.219	S	C	.	.			trans	-89.2	-5.7	179.5	-65.2	0	0	0	0	113.5	G267 R374 M426	G267-V269 PolarHBondContact O-N 3.49Å; V269-R374 PolarHBondContact O-NH2 3.31Å; V269-M426 HydrophobicContact CB-CE 3.84Å; V269-M426 HydrophobicContact CG1-CE 4Å
270	D	89.5	Confident	90.6	Very high	27 Å²	27	42 Å²	42	14%	0.144	25%	0.246	C	C	.	.			trans	-90.3	-16.3	-172.4	-69.2	-37.9	0	0	0	114.2	F240 H272 P325 Y326 G327	F240-D270 HydrophobicContact CZ-CB 4.28Å; D270-H272 PolarHBondContact O-ND1 2.89Å; D270-P325 WeakPolarHBondContact OD1-CB 3.38Å; D270-Y326 WeakPolarHBondContact O-CB 3.48Å; D270-G327 VanDerWaalsContact OD1-CA 3.29Å; D270-G327 WeakPolarHBondContact OD1-CA 3.45Å; D270-G327 PolarHBondContact OD1-N 3.27Å
271	V	92.6	Very high	90.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.273	C	S	.	.			trans	-72.5	135.7	177.8	66.8	0	0	0	0	111.1	I222 L225 L260 V263 R264	I222-V271 HydrophobicContact CG2-CG2 4Å; L225-V271 HydrophobicContact CD1-CG2 4.36Å; L225-V271 HydrophobicContact CG-CG2 4.24Å; L260-V271 HydrophobicContact CD1-CB 4.42Å; L260-V271 HydrophobicContact CD1-CG1 3.85Å; L260-V271 HydrophobicContact CD1-CG2 3.98Å; V263-V271 HydrophobicContact CB-CB 4.38Å; V263-V271 HydrophobicContact CB-CG1 3.84Å; V263-V271 HydrophobicContact CB-CG2 4.47Å; V263-V271 HydrophobicContact CG1-CB 3.7Å; V263-V271 HydrophobicContact CG1-CG1 3.43Å; V263-V271 VanDerWaalsContact CG1-CG1 3.43Å; V263-V271 HydrophobicContact CG1-CG2 4.17Å; R264-V271 HydrophobicContact CG-CG1 3.63Å; R264-V271 PolarHBondContact NH2-O 3.32Å
272	H	92.9	Very high	90.8	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.019	26%	0.261	C	S	.	.			trans	-150.9	164.4	176.1	60	-65.3	0	0	0	110.6	L225 D270 Y326 H371	L225-H272 PolarHBondContact N-O 3.42Å; D270-H272 PolarHBondContact O-ND1 2.89Å; H272-Y326 HydrophobicContact CB-CD1 3.57Å; H272-Y326 HydrophobicContact CB-CD2 3.64Å; H272-Y326 HydrophobicContact CB-CE1 3.54Å; H272-Y326 HydrophobicContact CB-CE2 3.61Å; H272-Y326 HydrophobicContact CB-CG 3.63Å; H272-Y326 AromaticContact CD2-CD2 3.65Å; H272-Y326 AromaticContact CD2-CE2 3.84Å; H272-Y326 AromaticContact CG-CD2 3.41Å; H272-Y326 VanDerWaalsContact CG-CD2 3.41Å; H272-Y326 AromaticContact CG-CE2 3.75Å; H272-Y326 AromaticContact CG-CG 3.62Å; H272-Y326 AromaticContact ND1-CD2 3.72Å; H272-Y326 AromaticContact ND1-CG 3.63Å; H272-H371 AromaticContact CD2-CE1 3.78Å
273	V	94.3	Very high	90.8	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	145.5	171.4	170.2	0	0	0	0	110.3	L225 R227 H371 F468	L225-V273 HydrophobicContact CB-CG2 3.68Å; L225-V273 HydrophobicContact CD1-CG2 4.23Å; L225-V273 CarbonylContact O-C 3.54Å; L225-V273 WeakPolarHBondContact O-CA 3.31Å; R227-V273 HydrophobicContact CB-CG1 3.81Å; V273-H371 PolarHBondContact O-CE1 3.34Å; V273-H371 PolarHBondContact O-NE2 3.43Å; V273-F468 HydrophobicContact CB-CE1 3.43Å; V273-F468 VanDerWaalsContact CB-CE1 3.43Å; V273-F468 HydrophobicContact CB-CE2 4.1Å; V273-F468 HydrophobicContact CB-CZ 3.21Å; V273-F468 HydrophobicContact CG1-CD1 4.32Å; V273-F468 HydrophobicContact CG1-CE1 3.52Å; V273-F468 HydrophobicContact CG1-CE2 4.47Å; V273-F468 HydrophobicContact CG1-CZ 3.73Å; V273-F468 HydrophobicContact CG2-CE1 3.79Å; V273-F468 HydrophobicContact CG2-CE2 3.46Å; V273-F468 VanDerWaalsContact CG2-CE2 3.46Å; V273-F468 HydrophobicContact CG2-CZ 3.06Å
274	K	95	Very high	90.7	Very high	18 Å²	18	50.5 Å²	50.5	8%	0.078	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	164.7	175.5	62.3	-176.8	178.2	-168.2	0	112.6	S224 L225 I226 R227 E238 S276 T278 E367	S224-K274 WeakPolarHBondContact OG-CE 3.26Å; S224-K274 PolarHBondContact OG-NZ 3.47Å; L225-K274 PolarHBondContact O-N 3.45Å; I226-K274 WeakPolarHBondContact CA-O 3.24Å; I226-K274 HydrophobicContact CD1-CD 3.93Å; I226-K274 HydrophobicContact CD1-CG 3.5Å; R227-K274 PolarHBondContact N-O 3.28Å; E238-K274 IonicContact OE2-NZ 3.21Å; E238-K274 PolarHBondContact OE2-NZ 3Å; K274-S276 WeakPolarHBondContact CD-O 3.35Å; K274-S276 WeakPolarHBondContact CE-O 3.47Å; K274-S276 WeakPolarHBondContact CG-O 3.11Å; K274-T278 PolarHBondContact NZ-OG1 2.97Å; K274-E367 VanDerWaalsContact CA-OE1 3.22Å; K274-E367 WeakPolarHBondContact CA-OE1 3.45Å
275	M	94.4	Very high	90.7	Very high	23 Å²	23	49.9 Å²	49.9	11%	0.113	28%	0.279	C	S	.	.	S	Bend	trans	-72.8	-39	-179.8	-65.2	174	-170.8	0	0	113.5	I226 E229 P363 E364 E367 N408 A410 V411	I226-M275 WeakPolarHBondContact CG2-O 3.26Å; E229-M275 HydrophobicContact CG-CB 4.25Å; E229-M275 HydrophobicContact CG-CG 3.82Å; E229-M275 HydrophobicContact CG-SD 4.18Å; M275-P363 HydrophobicContact CE-CB 3.79Å; M275-P363 HydrophobicContact SD-CB 4.32Å; M275-E364 HydrophobicContact SD-CB 4.49Å; M275-E367 HydrophobicContact CE-CB 4.23Å; M275-E367 WeakPolarHBondContact CG-OE1 3.45Å; M275-E367 PolarHBondContact N-OE1 3.41Å; M275-E367 PolarHBondContact N-OE2 3.12Å; M275-N408 WeakPolarHBondContact CE-OD1 3.33Å; M275-A410 HydrophobicContact CE-CB 3.33Å; M275-A410 HydrophobicContact CG-CB 3.53Å; M275-A410 HydrophobicContact SD-CB 4.28Å; M275-V411 HydrophobicContact CE-CG2 3.78Å
276	S	94.1	Very high	90.6	Very high	39 Å²	39	47.8 Å²	47.8	27%	0.273	27%	0.267	S	S	.	.	S	Bend	trans	-125.5	145.1	-170.8	59.1	0	0	0	0	112.4	K274 E364	K274-S276 WeakPolarHBondContact CD-O 3.35Å; K274-S276 WeakPolarHBondContact CE-O 3.47Å; K274-S276 WeakPolarHBondContact CG-O 3.11Å; S276-E364 PolarHBondContact OG-OE1 3.22Å
277	P	94.5	Very high	90.5	Very high	55 Å²	55	43.1 Å²	43.1	36%	0.357	25%	0.25	S	S	.	.			trans	-58	156.6	173.9	-23.1	34.2	0	0	0	112.5	I226 L244 N279	I226-P277 HydrophobicContact CG1-CG 4.41Å; I226-P277 HydrophobicContact CG2-CG 4.24Å; L244-P277 HydrophobicContact CD2-CB 4.23Å; L244-P277 HydrophobicContact CD2-CG 4.17Å; P277-N279 PolarHBondContact O-N 3.07Å
278	T	93.5	Very high	90.4	Very high	17 Å²	17	46.4 Å²	46.4	10%	0.104	25%	0.249	C	C	.	.			trans	-64.2	126.9	176.7	-46.9	0	0	0	0	110	F223 E238 K274 T280 R283 F287	F223-T278 WeakPolarHBondContact CE1-OG1 3.48Å; E238-T278 WeakPolarHBondContact OE1-CB 3.42Å; E238-T278 PolarHBondContact OE1-N 2.83Å; E238-T278 PolarHBondContact OE1-OG1 3.34Å; E238-T278 PolarHBondContact OE2-OG1 3.01Å; K274-T278 PolarHBondContact NZ-OG1 2.97Å; T278-T280 PolarHBondContact O-N 3.11Å; T278-R283 HydrophobicContact CG2-CG 4.34Å; T278-F287 HydrophobicContact CG2-CE1 4.07Å; T278-F287 HydrophobicContact CG2-CZ 4.22Å
279	N	92.3	Very high	90.4	Very high	72 Å²	72	47.3 Å²	47.3	39%	0.385	26%	0.255	S	S	.	.			trans	-76	112.1	168	-172.7	-10.5	0	0	0	109.6	P277 S281 Y282	P277-N279 PolarHBondContact O-N 3.07Å; N279-S281 VanDerWaalsContact CG-OG 3.3Å; N279-S281 PolarHBondContact ND2-OG 3.08Å; N279-S281 PolarHBondContact O-N 2.88Å; N279-S281 PolarHBondContact OD1-N 2.58Å; N279-S281 PolarHBondContact OD1-OG 3.14Å; N279-Y282 HydrophobicContact CB-CD2 3.6Å; N279-Y282 HydrophobicContact CB-CE2 3.83Å; N279-Y282 HydrophobicContact CB-CG 4.41Å; N279-Y282 PolarHBondContact O-N 3.26Å; N279-Y282 VanDerWaalsContact O-N 3.12Å
280	T	88.4	Confident	90.5	Very high	92 Å²	92	48 Å²	48	56%	0.564	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-63.4	-22.7	-178	57.6	0	0	0	0	113.1	T278 Y282 R283 F287	T278-T280 PolarHBondContact O-N 3.11Å; T280-Y282 PolarHBondContact O-N 2.93Å; T280-R283 PolarHBondContact O-N 2.63Å; T280-F287 HydrophobicContact CG2-CE2 3.47Å; T280-F287 VanDerWaalsContact CG2-CE2 3.47Å; T280-F287 HydrophobicContact CG2-CZ 3.77Å
281	S	92.1	Very high	90.5	Very high	81 Å²	81	47.1 Å²	47.1	57%	0.566	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-71	-16.5	177.1	73.8	0	0	0	0	113.7	N279	N279-S281 VanDerWaalsContact CG-OG 3.3Å; N279-S281 PolarHBondContact ND2-OG 3.08Å; N279-S281 PolarHBondContact O-N 2.88Å; N279-S281 PolarHBondContact OD1-N 2.58Å; N279-S281 PolarHBondContact OD1-OG 3.14Å
282	Y	93.5	Very high	90.2	Very high	51 Å²	51	51.9 Å²	51.9	20%	0.2	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-85.3	-14.1	173.7	-66	-38.9	0	0	0	113.2	N279 T280 R318 R319 N323	N279-Y282 HydrophobicContact CB-CD2 3.6Å; N279-Y282 HydrophobicContact CB-CE2 3.83Å; N279-Y282 HydrophobicContact CB-CG 4.41Å; N279-Y282 PolarHBondContact O-N 3.26Å; N279-Y282 VanDerWaalsContact O-N 3.12Å; T280-Y282 PolarHBondContact O-N 2.93Å; Y282-R318 HydrophobicContact CD2-CB 4.08Å; Y282-R318 HydrophobicContact CE2-CB 3.95Å; Y282-R318 HydrophobicContact CE2-CG 4.45Å; Y282-R319 HydrophobicContact CD1-CG 3.89Å; Y282-R319 HydrophobicContact CG-CG 4.25Å; Y282-N323 PolarHBondContact O-ND2 2.87Å
283	R	91.9	Very high	89.8	Confident	32 Å²	32	53.9 Å²	53.9	12%	0.121	28%	0.283	C	S	.	.			trans	-82	134.3	179.6	-66.3	-163.8	60.8	108.5	-7	111.3	T278 T280 I285 P286 S289 S322 N323	T278-R283 HydrophobicContact CG2-CG 4.34Å; T280-R283 PolarHBondContact O-N 2.63Å; R283-I285 VanDerWaalsContact C-N 3.35Å; R283-I285 WeakPolarHBondContact CB-O 3.3Å; R283-I285 PolarHBondContact NE-O 3.47Å; R283-P286 PolarHBondContact NH2-O 2.89Å; R283-S289 PolarHBondContact NH2-O 3.35Å; R283-S322 WeakPolarHBondContact CG-O 3.5Å; R283-S322 PolarHBondContact NH1-O 3.42Å; R283-N323 VanDerWaalsContact CA-OD1 3.31Å; R283-N323 WeakPolarHBondContact CA-OD1 2.99Å
284	W	91.4	Very high	89.4	Confident	121 Å²	121	59.1 Å²	59.1	46%	0.458	31%	0.308	S	S	.	.	S	Bend	trans	-84.1	-18.5	171.3	-68.2	4	0	0	0	112	L291 Q298 H299 F302 N323	W284-L291 HydrophobicContact CB-CD2 4.35Å; W284-L291 HydrophobicContact CE3-CD2 4.35Å; W284-Q298 HydrophobicContact CH2-CB 4.22Å; W284-Q298 HydrophobicContact CZ3-CB 4.32Å; W284-H299 AromaticContact CD2-CE1 3.83Å; W284-H299 AromaticContact CD2-NE2 3.47Å; W284-H299 AromaticContact CE2-CE1 3.5Å; W284-H299 VanDerWaalsContact CE2-CE1 3.5Å; W284-H299 AromaticContact CE2-NE2 3.65Å; W284-H299 AromaticContact CE3-NE2 3.66Å; W284-H299 AromaticContact CG-NE2 3.99Å; W284-H299 AromaticContact CZ2-CE1 3.74Å; W284-H299 AromaticContact NE1-CE1 3.78Å; W284-F302 AromaticContact CH2-CE2 3.71Å; W284-F302 HydrophobicContact CH2-CE2 3.71Å; W284-F302 AromaticContact CZ2-CE2 3.75Å; W284-F302 HydrophobicContact CZ2-CE2 3.75Å; W284-N323 PolarHBondContact N-OD1 2.81Å
285	I	88.9	Confident	89.1	Confident	39 Å²	39	58.6 Å²	58.6	20%	0.2	31%	0.307	C	S	.	.	S	Bend	trans	-138	155.8	-175.8	59.5	174.7	0	0	0	111.3	R283 S289 L291	R283-I285 VanDerWaalsContact C-N 3.35Å; R283-I285 WeakPolarHBondContact CB-O 3.3Å; R283-I285 PolarHBondContact NE-O 3.47Å; I285-S289 VanDerWaalsContact CD1-C 3.47Å; I285-S289 VanDerWaalsContact CD1-O 3.24Å; I285-S289 WeakPolarHBondContact CD1-O 3.05Å; I285-L291 HydrophobicContact CD1-CB 4.36Å; I285-L291 HydrophobicContact CD1-CD2 3.9Å; I285-L291 HydrophobicContact CD1-CG 3.82Å; I285-L291 HydrophobicContact CG1-CD2 4.23Å; I285-L291 HydrophobicContact CG1-CG 4.44Å; I285-L291 HydrophobicContact CG2-CD2 3.9Å
286	P	86.3	Confident	88.9	Confident	67 Å²	67	57.6 Å²	57.6	44%	0.435	30%	0.302	S	S	.	.			trans	-55.2	159.2	173.4	-25.1	34.8	0	0	0	113.4	R283 F288 S289	R283-P286 PolarHBondContact NH2-O 2.89Å; P286-F288 VanDerWaalsContact C-N 3.25Å; P286-F288 HydrophobicContact CB-CD1 3.86Å; P286-F288 HydrophobicContact CB-CD2 4.4Å; P286-F288 HydrophobicContact CB-CE1 3.41Å; P286-F288 VanDerWaalsContact CB-CE1 3.41Å; P286-F288 HydrophobicContact CB-CE2 4.01Å; P286-F288 HydrophobicContact CB-CG 4.34Å; P286-F288 HydrophobicContact CB-CZ 3.5Å; P286-F288 HydrophobicContact CG-CE1 4.22Å; P286-F288 HydrophobicContact CG-CE2 4.36Å; P286-F288 HydrophobicContact CG-CZ 3.86Å; P286-F288 PolarHBondContact O-N 2.97Å; P286-S289 PolarHBondContact O-N 3.24Å; P286-S289 VanDerWaalsContact O-N 3.12Å
287	F	83.1	Confident	88.6	Confident	22 Å²	22	56.6 Å²	56.6	10%	0.096	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.2	179.9	-77.3	-88.9	0	0	0	113.9	F223 F240 T278 T280 S289	F223-F287 HydrophobicContact CD1-CD1 4.05Å; F223-F287 HydrophobicContact CD1-CE1 4.05Å; F223-F287 HydrophobicContact CE1-CD1 4.1Å; F223-F287 AromaticContact CE1-CE1 3.94Å; F223-F287 HydrophobicContact CE1-CE1 3.94Å; F240-F287 WeakPolarHBondContact CD1-O 3.29Å; F240-F287 CarbonylContact O-C 3.01Å; F240-F287 WeakPolarHBondContact O-CB 3.41Å; T278-F287 HydrophobicContact CG2-CE1 4.07Å; T278-F287 HydrophobicContact CG2-CZ 4.22Å; T280-F287 HydrophobicContact CG2-CE2 3.47Å; T280-F287 VanDerWaalsContact CG2-CE2 3.47Å; T280-F287 HydrophobicContact CG2-CZ 3.77Å; F287-S289 PolarHBondContact O-N 3.17Å
288	F	81.6	Confident	88.4	Confident	126 Å²	126	56.7 Å²	56.7	55%	0.553	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.5	-178.6	56.7	-98.8	0	0	0	112.9	F240 P286	F240-F288 WeakPolarHBondContact O-CA 3.49Å; F240-F288 PolarHBondContact O-N 2.8Å; P286-F288 VanDerWaalsContact C-N 3.25Å; P286-F288 HydrophobicContact CB-CD1 3.86Å; P286-F288 HydrophobicContact CB-CD2 4.4Å; P286-F288 HydrophobicContact CB-CE1 3.41Å; P286-F288 VanDerWaalsContact CB-CE1 3.41Å; P286-F288 HydrophobicContact CB-CE2 4.01Å; P286-F288 HydrophobicContact CB-CG 4.34Å; P286-F288 HydrophobicContact CB-CZ 3.5Å; P286-F288 HydrophobicContact CG-CE1 4.22Å; P286-F288 HydrophobicContact CG-CE2 4.36Å; P286-F288 HydrophobicContact CG-CZ 3.86Å; P286-F288 PolarHBondContact O-N 2.97Å
289	S	85.7	Confident	88.3	Confident	41 Å²	41	55.9 Å²	55.9	29%	0.287	29%	0.287	S	S	.	.			trans	-112.1	155.1	178.3	-63	0	0	0	0	110.2	R283 I285 P286 F287	R283-S289 PolarHBondContact NH2-O 3.35Å; I285-S289 VanDerWaalsContact CD1-C 3.47Å; I285-S289 VanDerWaalsContact CD1-O 3.24Å; I285-S289 WeakPolarHBondContact CD1-O 3.05Å; P286-S289 PolarHBondContact O-N 3.24Å; P286-S289 VanDerWaalsContact O-N 3.12Å; F287-S289 PolarHBondContact O-N 3.17Å
290	F	85.6	Confident	88.1	Confident	76 Å²	76	52.6 Å²	52.6	33%	0.333	27%	0.27	S	S	.	.			trans	-120.9	147.5	176.3	-59.4	-71.3	0	0	0	109.6	F240 P325 R331	F240-F290 HydrophobicContact CE1-CE1 4.14Å; F240-F290 HydrophobicContact CE1-CZ 4.11Å; F290-P325 HydrophobicContact CD1-CG 3.62Å; F290-P325 HydrophobicContact CE1-CG 3.91Å; F290-R331 VanDerWaalsContact CB-NH1 3.32Å; F290-R331 PolarHBondContact O-NH1 2.8Å; F290-R331 VanDerWaalsContact O-NH1 3.15Å
291	L	87.8	Confident	88.2	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.047	26%	0.263	C	S	.	.			trans	-62.5	152.8	177.3	-73.5	177	0	0	0	109.6	W284 I285 E296 H299 N323 R331	W284-L291 HydrophobicContact CB-CD2 4.35Å; W284-L291 HydrophobicContact CE3-CD2 4.35Å; I285-L291 HydrophobicContact CD1-CB 4.36Å; I285-L291 HydrophobicContact CD1-CD2 3.9Å; I285-L291 HydrophobicContact CD1-CG 3.82Å; I285-L291 HydrophobicContact CG1-CD2 4.23Å; I285-L291 HydrophobicContact CG1-CG 4.44Å; I285-L291 HydrophobicContact CG2-CD2 3.9Å; L291-E296 HydrophobicContact CB-CG 4.1Å; L291-H299 VanDerWaalsContact CD1-CD2 3.45Å; L291-H299 WeakPolarHBondContact CD1-CD2 3.17Å; L291-N323 HydrophobicContact CD1-CB 3.58Å; L291-N323 HydrophobicContact CG-CB 4.29Å; L291-R331 WeakPolarHBondContact O-CD 3.41Å; L291-R331 PolarHBondContact O-NH1 2.83Å
292	D	87.2	Confident	88.1	Confident	100 Å²	100	53.3 Å²	53.3	54%	0.535	26%	0.255	S	S	.	.			trans	-74.3	173.1	161.8	60.2	2.5	0	0	0	109.8	E294 G295 E296	D292-E294 VanDerWaalsContact C-N 3.28Å; D292-E294 PolarHBondContact O-N 3.27Å; D292-G295 PolarHBondContact O-N 3.42Å; D292-G295 PolarHBondContact OD1-N 3.4Å; D292-E296 PolarHBondContact O-N 2.88Å
293	E	84	Confident	88	Confident	47 Å²	47	50.9 Å²	50.9	22%	0.22	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-38.7	179.4	163.3	166.8	-138.8	0	0	112.8	E296 A297 T332 K343	E293-E296 PolarHBondContact O-N 3.26Å; E293-A297 WeakPolarHBondContact O-CB 3.29Å; E293-A297 PolarHBondContact O-N 2.96Å; E293-T332 HydrophobicContact CG-CG2 4.39Å; E293-T332 WeakPolarHBondContact OE1-CA 3.3Å; E293-K343 WeakPolarHBondContact OE1-CE 3.46Å; E293-K343 IonicContact OE1-NZ 2.77Å; E293-K343 PolarHBondContact OE1-NZ 3.48Å; E293-K343 IonicContact OE2-NZ 3.45Å
294	E	86.3	Confident	87.5	Confident	114 Å²	114	50 Å²	50	53%	0.533	25%	0.246	S	C	.	.	H	α-helix	trans	-66.9	-44	178.6	-176.1	58	-150.8	0	0	111.2	D292 E296 A297 Q298	D292-E294 VanDerWaalsContact C-N 3.28Å; D292-E294 PolarHBondContact O-N 3.27Å; E294-E296 VanDerWaalsContact C-N 3.34Å; E294-E296 PolarHBondContact O-N 3.2Å; E294-A297 PolarHBondContact O-N 3.11Å; E294-Q298 WeakPolarHBondContact O-CG 3.33Å; E294-Q298 PolarHBondContact O-N 2.87Å; E294-Q298 PolarHBondContact OE1-NE2 3.48Å
295	G	88.9	Confident	87	Confident	7 Å²	7	49.2 Å²	49.2	7%	0.072	25%	0.25	C	S	.	.	H	α-helix	trans	-60.1	-42.4	175	0	0	0	0	0	112.8	D292 Q298 H299	D292-G295 PolarHBondContact O-N 3.42Å; D292-G295 PolarHBondContact OD1-N 3.4Å; G295-Q298 PolarHBondContact O-N 2.82Å; G295-H299 PolarHBondContact O-CD2 3.33Å; G295-H299 PolarHBondContact O-N 2.86Å
296	E	89.7	Confident	86.1	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.009	25%	0.25	C	C	.	.	H	α-helix	trans	-59.4	-47.8	173.7	-78.7	-175.3	177.9	0	0	111.6	L291 D292 E293 E294 Q298 H299 A300 L329 T332	L291-E296 HydrophobicContact CB-CG 4.1Å; D292-E296 PolarHBondContact O-N 2.88Å; E293-E296 PolarHBondContact O-N 3.26Å; E294-E296 VanDerWaalsContact C-N 3.34Å; E294-E296 PolarHBondContact O-N 3.2Å; E296-Q298 PolarHBondContact O-N 2.67Å; E296-H299 PolarHBondContact O-N 3.47Å; E296-A300 PolarHBondContact O-N 3.24Å; E296-A300 VanDerWaalsContact O-N 3.17Å; E296-L329 HydrophobicContact CB-CD2 3.82Å; E296-L329 HydrophobicContact CG-CD2 4.05Å; E296-T332 WeakPolarHBondContact CB-OG1 3.46Å; E296-T332 PolarHBondContact OE2-N 2.84Å; E296-T332 VanDerWaalsContact OE2-N 3.14Å; E296-T332 PolarHBondContact OE2-OG1 2.95Å
297	A	87.5	Confident	84.9	Confident	18 Å²	18	51.5 Å²	51.5	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-38.8	178.7	0	0	0	0	0	112.5	E293 E294 H299 A300 K301 L346	E293-A297 WeakPolarHBondContact O-CB 3.29Å; E293-A297 PolarHBondContact O-N 2.96Å; E294-A297 PolarHBondContact O-N 3.11Å; A297-H299 PolarHBondContact O-N 3.24Å; A297-A300 PolarHBondContact O-N 2.92Å; A297-K301 WeakPolarHBondContact O-CB 3.17Å; A297-K301 PolarHBondContact O-N 3.1Å; A297-L346 HydrophobicContact CB-CD2 4.25Å
298	Q	90.6	Very high	83.9	Confident	56 Å²	56	56.4 Å²	56.4	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-41.4	177	-71.4	-60.4	-29.8	0	0	112.2	W284 E294 G295 E296 K301 F302	W284-Q298 HydrophobicContact CH2-CB 4.22Å; W284-Q298 HydrophobicContact CZ3-CB 4.32Å; E294-Q298 WeakPolarHBondContact O-CG 3.33Å; E294-Q298 PolarHBondContact O-N 2.87Å; E294-Q298 PolarHBondContact OE1-NE2 3.48Å; G295-Q298 PolarHBondContact O-N 2.82Å; E296-Q298 PolarHBondContact O-N 2.67Å; Q298-K301 WeakPolarHBondContact O-CB 3.46Å; Q298-K301 PolarHBondContact O-N 2.97Å; Q298-F302 VanDerWaalsContact O-CD2 3.23Å; Q298-F302 WeakPolarHBondContact O-CD2 3.19Å; Q298-F302 PolarHBondContact O-N 3.25Å
299	H	91.4	Very high	83.7	Confident	1 Å²	1	53 Å²	53	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-41.3	174.3	-77.1	-71.1	0	0	0	112.7	W284 L291 G295 E296 A297 K301 F302 I303 F320 N323	W284-H299 AromaticContact CD2-CE1 3.83Å; W284-H299 AromaticContact CD2-NE2 3.47Å; W284-H299 AromaticContact CE2-CE1 3.5Å; W284-H299 VanDerWaalsContact CE2-CE1 3.5Å; W284-H299 AromaticContact CE2-NE2 3.65Å; W284-H299 AromaticContact CE3-NE2 3.66Å; W284-H299 AromaticContact CG-NE2 3.99Å; W284-H299 AromaticContact CZ2-CE1 3.74Å; W284-H299 AromaticContact NE1-CE1 3.78Å; L291-H299 VanDerWaalsContact CD1-CD2 3.45Å; L291-H299 WeakPolarHBondContact CD1-CD2 3.17Å; G295-H299 PolarHBondContact O-CD2 3.33Å; G295-H299 PolarHBondContact O-N 2.86Å; E296-H299 PolarHBondContact O-N 3.47Å; A297-H299 PolarHBondContact O-N 3.24Å; H299-K301 VanDerWaalsContact C-N 3.26Å; H299-K301 PolarHBondContact O-N 3.26Å; H299-F302 PolarHBondContact O-N 3.08Å; H299-I303 PolarHBondContact O-N 2.86Å; H299-F320 HydrophobicContact CB-CB 4.3Å; H299-F320 HydrophobicContact CB-CD2 3.74Å; H299-F320 HydrophobicContact CB-CG 4.5Å; H299-N323 PolarHBondContact CE1-ND2 2.81Å; H299-N323 PolarHBondContact NE2-ND2 3.31Å
300	A	89.4	Confident	83.5	Confident	2 Å²	2	57 Å²	57	2%	0.017	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-38	174.9	0	0	0	0	0	111.6	E296 A297 I303 G304 L346 S350	E296-A300 PolarHBondContact O-N 3.24Å; E296-A300 VanDerWaalsContact O-N 3.17Å; A297-A300 PolarHBondContact O-N 2.92Å; A300-I303 WeakPolarHBondContact O-CB 3.45Å; A300-I303 PolarHBondContact O-N 3.28Å; A300-G304 PolarHBondContact O-N 3.37Å; A300-L346 HydrophobicContact CB-CD2 3.93Å; A300-L346 HydrophobicContact CB-CG 3.95Å; A300-S350 PolarHBondContact O-OG 2.9Å
301	K	89.3	Confident	83.4	Confident	97 Å²	97	59.6 Å²	59.6	42%	0.422	31%	0.313	S	S	.	.	H	α-helix	trans	-64.4	-40.5	174.4	-174.1	179.7	177.9	-176	0	112.9	A297 Q298 H299 I303 G304 I305 L346	A297-K301 WeakPolarHBondContact O-CB 3.17Å; A297-K301 PolarHBondContact O-N 3.1Å; Q298-K301 WeakPolarHBondContact O-CB 3.46Å; Q298-K301 PolarHBondContact O-N 2.97Å; H299-K301 VanDerWaalsContact C-N 3.26Å; H299-K301 PolarHBondContact O-N 3.26Å; K301-I303 VanDerWaalsContact C-N 3.33Å; K301-I303 PolarHBondContact O-N 2.84Å; K301-G304 CarbonylContact O-C 3.57Å; K301-G304 PolarHBondContact O-N 3.34Å; K301-I305 HydrophobicContact CD-CD1 4.26Å; K301-I305 HydrophobicContact CG-CD1 3.65Å; K301-I305 HydrophobicContact CG-CG1 4.27Å; K301-I305 WeakPolarHBondContact O-CG1 3.48Å; K301-I305 PolarHBondContact O-N 2.91Å; K301-L346 HydrophobicContact CB-CD1 4.17Å
302	F	91	Very high	83.5	Confident	91 Å²	91	60.6 Å²	60.6	40%	0.399	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-44.8	173.9	-68.4	-47.7	0	0	0	111.7	W284 Q298 H299 G304 I305 S306 A316	W284-F302 AromaticContact CH2-CE2 3.71Å; W284-F302 HydrophobicContact CH2-CE2 3.71Å; W284-F302 AromaticContact CZ2-CE2 3.75Å; W284-F302 HydrophobicContact CZ2-CE2 3.75Å; Q298-F302 VanDerWaalsContact O-CD2 3.23Å; Q298-F302 WeakPolarHBondContact O-CD2 3.19Å; Q298-F302 PolarHBondContact O-N 3.25Å; H299-F302 PolarHBondContact O-N 3.08Å; F302-G304 VanDerWaalsContact C-N 3.3Å; F302-G304 PolarHBondContact O-N 3.39Å; F302-I305 PolarHBondContact O-N 3.48Å; F302-S306 WeakPolarHBondContact O-CB 3.16Å; F302-S306 PolarHBondContact O-N 2.96Å; F302-S306 VanDerWaalsContact O-N 3.11Å; F302-S306 PolarHBondContact O-OG 3.08Å; F302-A316 HydrophobicContact CB-CB 4.12Å
303	I	90.8	Very high	83.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.6	-46.6	174.2	-63.8	169	0	0	0	110.7	H299 A300 K301 I305 L313 A316 L317 F320 A353 I354	H299-I303 PolarHBondContact O-N 2.86Å; A300-I303 WeakPolarHBondContact O-CB 3.45Å; A300-I303 PolarHBondContact O-N 3.28Å; K301-I303 VanDerWaalsContact C-N 3.33Å; K301-I303 PolarHBondContact O-N 2.84Å; I303-I305 VanDerWaalsContact C-N 3.31Å; I303-I305 PolarHBondContact O-N 3.39Å; I303-L313 HydrophobicContact CG2-CD1 3.9Å; I303-A316 HydrophobicContact CG1-CB 4.19Å; I303-L317 HydrophobicContact CD1-CD2 3.79Å; I303-L317 HydrophobicContact CG1-CD2 4Å; I303-L317 HydrophobicContact CG2-CD2 4.3Å; I303-F320 HydrophobicContact CD1-CB 3.72Å; I303-F320 HydrophobicContact CD1-CD1 4.02Å; I303-F320 HydrophobicContact CD1-CD2 3.67Å; I303-F320 HydrophobicContact CD1-CE2 4.28Å; I303-F320 HydrophobicContact CD1-CG 3.54Å; I303-F320 HydrophobicContact CG1-CB 4.48Å; I303-A353 HydrophobicContact CG2-CB 4.27Å; I303-I354 HydrophobicContact CG2-CD1 4.21Å; I303-I354 HydrophobicContact CG2-CG1 3.92Å
304	G	81.8	Confident	84.1	Confident	13 Å²	13	54.5 Å²	54.5	13%	0.134	30%	0.295	C	S	.	.	H	α-helix	trans	-73.3	-12.6	-178.1	0	0	0	0	0	115.3	A300 K301 F302 F307	A300-G304 PolarHBondContact O-N 3.37Å; K301-G304 CarbonylContact O-C 3.57Å; K301-G304 PolarHBondContact O-N 3.34Å; F302-G304 VanDerWaalsContact C-N 3.3Å; F302-G304 PolarHBondContact O-N 3.39Å; G304-F307 VanDerWaalsContact O-CD2 3.25Å; G304-F307 WeakPolarHBondContact O-CD2 3.29Å; G304-F307 WeakPolarHBondContact O-CE2 3.48Å; G304-F307 WeakPolarHBondContact O-CZ 3.27Å
305	I	79.8	Confident	84.4	Confident	106 Å²	106	51.6 Å²	51.6	54%	0.544	28%	0.283	S	S	.	.	H	α-helix	trans	-98.8	-25.9	175.7	-69.3	173.5	0	0	0	111.1	K301 F302 I303 F307	K301-I305 HydrophobicContact CD-CD1 4.26Å; K301-I305 HydrophobicContact CG-CD1 3.65Å; K301-I305 HydrophobicContact CG-CG1 4.27Å; K301-I305 WeakPolarHBondContact O-CG1 3.48Å; K301-I305 PolarHBondContact O-N 2.91Å; F302-I305 PolarHBondContact O-N 3.48Å; I303-I305 VanDerWaalsContact C-N 3.31Å; I303-I305 PolarHBondContact O-N 3.39Å; I305-F307 PolarHBondContact O-N 3.22Å
306	S	71	Confident	84.6	Confident	28 Å²	28	51.6 Å²	51.6	20%	0.196	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-68.3	18	-174.2	-66	0	0	0	0	116.2	F302 S308 A309	F302-S306 WeakPolarHBondContact O-CB 3.16Å; F302-S306 PolarHBondContact O-N 2.96Å; F302-S306 VanDerWaalsContact O-N 3.11Å; F302-S306 PolarHBondContact O-OG 3.08Å; S306-S308 PolarHBondContact O-N 3.46Å; S306-S308 VanDerWaalsContact O-N 3.09Å; S306-A309 PolarHBondContact O-N 3.4Å
307	F	60.6	Low	84.8	Confident	126 Å²	126	51.5 Å²	51.5	55%	0.553	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-53.1	-32.6	179.1	-65.1	-64.7	0	0	0	113.8	G304 I305 A353	G304-F307 VanDerWaalsContact O-CD2 3.25Å; G304-F307 WeakPolarHBondContact O-CD2 3.29Å; G304-F307 WeakPolarHBondContact O-CE2 3.48Å; G304-F307 WeakPolarHBondContact O-CZ 3.27Å; I305-F307 PolarHBondContact O-N 3.22Å; F307-A353 HydrophobicContact CD1-CB 4.18Å; F307-A353 HydrophobicContact CE1-CB 3.6Å; F307-A353 HydrophobicContact CZ-CB 4.26Å
308	S	62.8	Low	85.2	Confident	124 Å²	124	53.2 Å²	53.2	87%	0.867	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-82.9	-16.2	-169	-48	0	0	0	0	114.6	S306	S306-S308 PolarHBondContact O-N 3.46Å; S306-S308 VanDerWaalsContact O-N 3.09Å
309	A	75.7	Confident	85.4	Confident	55 Å²	55	54.4 Å²	54.4	46%	0.455	29%	0.286	S	S	.	.			trans	-145.1	113.3	-177.1	0	0	0	0	0	111.7	S306 N311 G312 L313	S306-A309 PolarHBondContact O-N 3.4Å; A309-N311 PolarHBondContact O-N 3.5Å; A309-G312 WeakPolarHBondContact O-CA 3.29Å; A309-G312 PolarHBondContact O-N 2.97Å; A309-L313 PolarHBondContact O-N 3.12Å; A309-L313 VanDerWaalsContact O-N 3.07Å
310	R	81.4	Confident	85.5	Confident	125 Å²	125	54.3 Å²	54.3	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-49	-45.2	178	-176.3	-175.7	-66	-167.8	3	112.6	G312 L313 L314 C360	R310-G312 VanDerWaalsContact C-N 3.28Å; R310-G312 PolarHBondContact O-N 2.59Å; R310-L313 PolarHBondContact O-N 3.2Å; R310-L314 HydrophobicContact CG-CD1 4.23Å; R310-L314 WeakPolarHBondContact O-CG 3.44Å; R310-L314 PolarHBondContact O-N 2.78Å; R310-C360 PolarHBondContact NH1-O 3.09Å; R310-C360 VanDerWaalsContact NH1-O 3.13Å
311	N	85.3	Confident	85.8	Confident	130 Å²	130	54.8 Å²	54.8	70%	0.695	29%	0.288	S	S	*	.	H	α-helix	trans	-63.6	-35.6	179.7	-67	-5.9	0	0	0	112.2	A309 L314 D315	A309-N311 PolarHBondContact O-N 3.5Å; N311-L314 PolarHBondContact O-N 3.45Å; N311-D315 PolarHBondContact O-N 2.88Å
312	G	88.7	Confident	86	Confident	30 Å²	30	50.7 Å²	50.7	31%	0.309	27%	0.272	S	S	.	.	H	α-helix	trans	-66.6	-41.4	174.7	0	0	0	0	0	112.2	A309 R310 D315 A316	A309-G312 WeakPolarHBondContact O-CA 3.29Å; A309-G312 PolarHBondContact O-N 2.97Å; R310-G312 VanDerWaalsContact C-N 3.28Å; R310-G312 PolarHBondContact O-N 2.59Å; G312-D315 PolarHBondContact O-N 2.79Å; G312-A316 WeakPolarHBondContact O-CB 3.27Å; G312-A316 PolarHBondContact O-N 2.58Å
313	L	91.5	Very high	86.1	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-47.7	174.8	176.6	63.3	0	0	0	111	I303 A309 R310 D315 A316 L317	I303-L313 HydrophobicContact CG2-CD1 3.9Å; A309-L313 PolarHBondContact O-N 3.12Å; A309-L313 VanDerWaalsContact O-N 3.07Å; R310-L313 PolarHBondContact O-N 3.2Å; L313-D315 PolarHBondContact O-N 3.27Å; L313-A316 WeakPolarHBondContact O-CB 3.33Å; L313-A316 PolarHBondContact O-N 2.76Å; L313-L317 HydrophobicContact CD1-CD1 4.29Å; L313-L317 HydrophobicContact CD1-CG 4.28Å; L313-L317 HydrophobicContact CG-CD1 4.08Å; L313-L317 HydrophobicContact CG-CG 4.48Å; L313-L317 VanDerWaalsContact O-CG 3.26Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 3.27Å
314	L	92.1	Very high	86.2	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-39.5	-179.3	-66	175.7	0	0	0	112.7	R310 N311 L317 R318 D365 M369	R310-L314 HydrophobicContact CG-CD1 4.23Å; R310-L314 WeakPolarHBondContact O-CG 3.44Å; R310-L314 PolarHBondContact O-N 2.78Å; N311-L314 PolarHBondContact O-N 3.45Å; L314-L317 HydrophobicContact CD2-CD1 4.41Å; L314-L317 PolarHBondContact O-N 3.05Å; L314-R318 PolarHBondContact O-N 3Å; L314-D365 HydrophobicContact CD1-CB 4.34Å; L314-D365 HydrophobicContact CD2-CB 3.79Å; L314-M369 HydrophobicContact CD2-CE 3.84Å
315	D	92.2	Very high	86.6	Confident	54 Å²	54	46.5 Å²	46.5	29%	0.289	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-43.4	173.3	-171.5	66	0	0	0	111.8	N311 G312 L313 L317 R318 R319	N311-D315 PolarHBondContact O-N 2.88Å; G312-D315 PolarHBondContact O-N 2.79Å; L313-D315 PolarHBondContact O-N 3.27Å; D315-L317 VanDerWaalsContact C-N 3.27Å; D315-L317 PolarHBondContact O-N 3.44Å; D315-R318 PolarHBondContact O-N 3.21Å; D315-R319 WeakPolarHBondContact O-CG 3.48Å; D315-R319 PolarHBondContact O-N 3.38Å; D315-R319 IonicContact OD1-NE 3.46Å; D315-R319 IonicContact OD1-NH2 3.64Å; D315-R319 IonicContact OD2-CZ 2.99Å; D315-R319 IonicContact OD2-NE 2.83Å; D315-R319 PolarHBondContact OD2-NE 2.89Å; D315-R319 IonicContact OD2-NH2 3.82Å; D315-R319 PolarHBondContact OD2-NH2 2.66Å
316	A	93.5	Very high	87.1	Confident	6 Å²	6	41.5 Å²	41.5	5%	0.05	23%	0.226	C	C	.	.	H	α-helix	trans	-59.2	-38.9	175.4	0	0	0	0	0	111.8	F302 I303 G312 L313 R319 F320	F302-A316 HydrophobicContact CB-CB 4.12Å; I303-A316 HydrophobicContact CG1-CB 4.19Å; G312-A316 WeakPolarHBondContact O-CB 3.27Å; G312-A316 PolarHBondContact O-N 2.58Å; L313-A316 WeakPolarHBondContact O-CB 3.33Å; L313-A316 PolarHBondContact O-N 2.76Å; A316-R319 PolarHBondContact O-N 2.71Å; A316-F320 VanDerWaalsContact O-CB 3.28Å; A316-F320 WeakPolarHBondContact O-CB 3.32Å; A316-F320 PolarHBondContact O-N 3.18Å
317	L	94.9	Very high	87.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-44.8	176.7	-67.6	170.5	0	0	0	112.6	I303 L313 L314 D315 R319 F320 N321 I354 M369 A372	I303-L317 HydrophobicContact CD1-CD2 3.79Å; I303-L317 HydrophobicContact CG1-CD2 4Å; I303-L317 HydrophobicContact CG2-CD2 4.3Å; L313-L317 HydrophobicContact CD1-CD1 4.29Å; L313-L317 HydrophobicContact CD1-CG 4.28Å; L313-L317 HydrophobicContact CG-CD1 4.08Å; L313-L317 HydrophobicContact CG-CG 4.48Å; L313-L317 VanDerWaalsContact O-CG 3.26Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 3.27Å; L314-L317 HydrophobicContact CD2-CD1 4.41Å; L314-L317 PolarHBondContact O-N 3.05Å; D315-L317 VanDerWaalsContact C-N 3.27Å; D315-L317 PolarHBondContact O-N 3.44Å; L317-R319 VanDerWaalsContact C-N 3.29Å; L317-R319 PolarHBondContact O-N 3.07Å; L317-F320 PolarHBondContact O-N 2.71Å; L317-N321 WeakPolarHBondContact O-CB 3.24Å; L317-N321 VanDerWaalsContact O-CG 3.32Å; L317-N321 PolarHBondContact O-N 2.91Å; L317-N321 PolarHBondContact O-ND2 3.49Å; L317-I354 HydrophobicContact CD2-CD1 3.74Å; L317-I354 HydrophobicContact CD2-CG1 3.62Å; L317-M369 HydrophobicContact CD1-CG 3.78Å; L317-A372 HydrophobicContact CD2-CB 3.47Å; L317-A372 VanDerWaalsContact CD2-CB 3.47Å
318	R	94.8	Very high	89.1	Confident	55 Å²	55	34.2 Å²	34.2	21%	0.208	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-43.2	175.2	-76.8	-174.9	-103.8	-95.8	-5.1	111.4	Y282 L314 D315 S322 D365	Y282-R318 HydrophobicContact CD2-CB 4.08Å; Y282-R318 HydrophobicContact CE2-CB 3.95Å; Y282-R318 HydrophobicContact CE2-CG 4.45Å; L314-R318 PolarHBondContact O-N 3Å; D315-R318 PolarHBondContact O-N 3.21Å; R318-S322 VanDerWaalsContact O-CB 3.3Å; R318-S322 WeakPolarHBondContact O-CB 3.42Å; R318-S322 PolarHBondContact O-N 2.83Å; R318-S322 VanDerWaalsContact O-N 3.08Å; R318-S322 PolarHBondContact O-OG 3.07Å; R318-D365 IonicContact CZ-OD1 3.9Å; R318-D365 IonicContact NH1-OD1 3.21Å; R318-D365 PolarHBondContact NH1-OD1 2.7Å; R318-D365 IonicContact NH2-OD1 3.8Å; R318-D365 PolarHBondContact NH2-OD1 2.71Å
319	R	94.9	Very high	89.8	Confident	80 Å²	80	28.6 Å²	28.6	30%	0.302	15%	0.151	S	C	.	.	H	α-helix	trans	-67	-46	175.7	-67.7	175.8	-171.4	-80.5	-2.4	112.3	Y282 D315 A316 L317 S322 N323	Y282-R319 HydrophobicContact CD1-CG 3.89Å; Y282-R319 HydrophobicContact CG-CG 4.25Å; D315-R319 WeakPolarHBondContact O-CG 3.48Å; D315-R319 PolarHBondContact O-N 3.38Å; D315-R319 IonicContact OD1-NE 3.46Å; D315-R319 IonicContact OD1-NH2 3.64Å; D315-R319 IonicContact OD2-CZ 2.99Å; D315-R319 IonicContact OD2-NE 2.83Å; D315-R319 PolarHBondContact OD2-NE 2.89Å; D315-R319 IonicContact OD2-NH2 3.82Å; D315-R319 PolarHBondContact OD2-NH2 2.66Å; A316-R319 PolarHBondContact O-N 2.71Å; L317-R319 VanDerWaalsContact C-N 3.29Å; L317-R319 PolarHBondContact O-N 3.07Å; R319-S322 PolarHBondContact O-N 3.03Å; R319-N323 PolarHBondContact O-N 2.8Å; R319-N323 PolarHBondContact O-ND2 2.87Å
320	F	94.7	Very high	89.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58	-51.3	176.9	174.9	-92.5	0	0	0	111.2	H299 I303 A316 L317 S322 N323 V324 L329 A372 R375 L376	H299-F320 HydrophobicContact CB-CB 4.3Å; H299-F320 HydrophobicContact CB-CD2 3.74Å; H299-F320 HydrophobicContact CB-CG 4.5Å; I303-F320 HydrophobicContact CD1-CB 3.72Å; I303-F320 HydrophobicContact CD1-CD1 4.02Å; I303-F320 HydrophobicContact CD1-CD2 3.67Å; I303-F320 HydrophobicContact CD1-CE2 4.28Å; I303-F320 HydrophobicContact CD1-CG 3.54Å; I303-F320 HydrophobicContact CG1-CB 4.48Å; A316-F320 VanDerWaalsContact O-CB 3.28Å; A316-F320 WeakPolarHBondContact O-CB 3.32Å; A316-F320 PolarHBondContact O-N 3.18Å; L317-F320 PolarHBondContact O-N 2.71Å; F320-S322 PolarHBondContact O-N 3.32Å; F320-N323 PolarHBondContact O-N 2.8Å; F320-N323 VanDerWaalsContact O-N 3.08Å; F320-V324 HydrophobicContact CD2-CG2 3.72Å; F320-V324 HydrophobicContact CE1-CB 4.35Å; F320-V324 HydrophobicContact CE2-CB 4.22Å; F320-V324 HydrophobicContact CE2-CG1 4.42Å; F320-V324 HydrophobicContact CE2-CG2 3.57Å; F320-V324 HydrophobicContact CG-CG2 4.25Å; F320-V324 HydrophobicContact CZ-CB 4.13Å; F320-V324 HydrophobicContact CZ-CG1 4.07Å; F320-V324 HydrophobicContact CZ-CG2 3.99Å; F320-V324 WeakPolarHBondContact O-CB 3.31Å; F320-V324 PolarHBondContact O-N 2.94Å; F320-L329 HydrophobicContact CE2-CD2 4.25Å; F320-L329 HydrophobicContact CZ-CD2 4.49Å; F320-A372 HydrophobicContact CD1-CB 3.87Å; F320-A372 HydrophobicContact CE1-CB 4.03Å; F320-R375 HydrophobicContact CE1-CB 3.81Å; F320-R375 HydrophobicContact CE1-CG 4.4Å; F320-R375 HydrophobicContact CZ-CB 4.09Å; F320-L376 HydrophobicContact CE2-CD2 4.35Å; F320-L376 HydrophobicContact CZ-CD2 3.89Å; F320-L376 HydrophobicContact CZ-CG 4.23Å
321	N	95.3	Very high	88.2	Confident	11 Å²	11	30.6 Å²	30.6	6%	0.059	15%	0.152	C	C	.	.	H	α-helix	trans	-62	-31.9	179.3	-72.9	-25.2	0	0	0	113.1	L317 N323 N368 H371 A372 R375	L317-N321 WeakPolarHBondContact O-CB 3.24Å; L317-N321 VanDerWaalsContact O-CG 3.32Å; L317-N321 PolarHBondContact O-N 2.91Å; L317-N321 PolarHBondContact O-ND2 3.49Å; N321-N323 VanDerWaalsContact C-N 3.33Å; N321-N368 WeakPolarHBondContact ND2-CA 3.19Å; N321-N368 PolarHBondContact ND2-O 3.24Å; N321-N368 PolarHBondContact ND2-OD1 2.88Å; N321-N368 VanDerWaalsContact ND2-OD1 3.09Å; N321-H371 VanDerWaalsContact OD1-C 3.31Å; N321-A372 VanDerWaalsContact OD1-CA 3.26Å; N321-A372 WeakPolarHBondContact OD1-CA 3.3Å; N321-A372 PolarHBondContact OD1-N 3.1Å; N321-A372 VanDerWaalsContact OD1-N 3.1Å; N321-R375 PolarHBondContact O-NH2 3.48Å; N321-R375 VanDerWaalsContact O-NH2 3.12Å; N321-R375 PolarHBondContact OD1-NH1 3.28Å
322	S	94	Very high	86.8	Confident	12 Å²	12	24.7 Å²	24.7	8%	0.084	12%	0.121	C	C	.	.	H	α-helix	trans	-73.9	-22.1	178.1	-61.7	0	0	0	0	112.9	R283 R318 R319 F320	R283-S322 WeakPolarHBondContact CG-O 3.5Å; R283-S322 PolarHBondContact NH1-O 3.42Å; R318-S322 VanDerWaalsContact O-CB 3.3Å; R318-S322 WeakPolarHBondContact O-CB 3.42Å; R318-S322 PolarHBondContact O-N 2.83Å; R318-S322 VanDerWaalsContact O-N 3.08Å; R318-S322 PolarHBondContact O-OG 3.07Å; R319-S322 PolarHBondContact O-N 3.03Å; F320-S322 PolarHBondContact O-N 3.32Å
323	N	92.8	Very high	85.2	Confident	2 Å²	2	26 Å²	26	1%	0.011	12%	0.121	C	C	.	.	H	α-helix	trans	-112.7	-33	-174.3	-71.2	-77.9	0	0	0	114.4	Y282 R283 W284 L291 H299 R319 F320 N321	Y282-N323 PolarHBondContact O-ND2 2.87Å; R283-N323 VanDerWaalsContact CA-OD1 3.31Å; R283-N323 WeakPolarHBondContact CA-OD1 2.99Å; W284-N323 PolarHBondContact N-OD1 2.81Å; L291-N323 HydrophobicContact CD1-CB 3.58Å; L291-N323 HydrophobicContact CG-CB 4.29Å; H299-N323 PolarHBondContact CE1-ND2 2.81Å; H299-N323 PolarHBondContact NE2-ND2 3.31Å; R319-N323 PolarHBondContact O-N 2.8Å; R319-N323 PolarHBondContact O-ND2 2.87Å; F320-N323 PolarHBondContact O-N 2.8Å; F320-N323 VanDerWaalsContact O-N 3.08Å; N321-N323 VanDerWaalsContact C-N 3.33Å
324	V	92.1	Very high	83.3	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.018	15%	0.149	C	C	.	.	S	Bend	trans	-86.1	127.7	179.2	-179.8	0	0	0	0	109.1	F320 L329 R375	F320-V324 HydrophobicContact CD2-CG2 3.72Å; F320-V324 HydrophobicContact CE1-CB 4.35Å; F320-V324 HydrophobicContact CE2-CB 4.22Å; F320-V324 HydrophobicContact CE2-CG1 4.42Å; F320-V324 HydrophobicContact CE2-CG2 3.57Å; F320-V324 HydrophobicContact CG-CG2 4.25Å; F320-V324 HydrophobicContact CZ-CB 4.13Å; F320-V324 HydrophobicContact CZ-CG1 4.07Å; F320-V324 HydrophobicContact CZ-CG2 3.99Å; F320-V324 WeakPolarHBondContact O-CB 3.31Å; F320-V324 PolarHBondContact O-N 2.94Å; V324-L329 HydrophobicContact CG1-CD2 3.89Å; V324-L329 HydrophobicContact CG1-CG 4.47Å; V324-L329 HydrophobicContact CG2-CD2 4.22Å; V324-R375 HydrophobicContact CG1-CB 4.35Å; V324-R375 HydrophobicContact CG1-CG 4.41Å; V324-R375 PolarHBondContact O-NE 3.44Å
325	P	90.5	Very high	81.2	Confident	11 Å²	11	35.7 Å²	35.7	7%	0.071	18%	0.176	C	C	.	.			trans	-56.2	149.3	176.6	-24.3	34.9	0	0	0	111.5	D270 F290 G327 G328 R375	D270-P325 WeakPolarHBondContact OD1-CB 3.38Å; F290-P325 HydrophobicContact CD1-CG 3.62Å; F290-P325 HydrophobicContact CE1-CG 3.91Å; P325-G327 PolarHBondContact O-N 3Å; P325-G328 PolarHBondContact O-N 3.4Å; P325-R375 WeakPolarHBondContact O-CG 3.37Å; P325-R375 PolarHBondContact O-NE 2.95Å
326	Y	90.9	Very high	79.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-35.3	179.7	-167.3	-114	0	0	0	110.7	D270 H272 G328 H371 R374	D270-Y326 WeakPolarHBondContact O-CB 3.48Å; H272-Y326 HydrophobicContact CB-CD1 3.57Å; H272-Y326 HydrophobicContact CB-CD2 3.64Å; H272-Y326 HydrophobicContact CB-CE1 3.54Å; H272-Y326 HydrophobicContact CB-CE2 3.61Å; H272-Y326 HydrophobicContact CB-CG 3.63Å; H272-Y326 AromaticContact CD2-CD2 3.65Å; H272-Y326 AromaticContact CD2-CE2 3.84Å; H272-Y326 AromaticContact CG-CD2 3.41Å; H272-Y326 VanDerWaalsContact CG-CD2 3.41Å; H272-Y326 AromaticContact CG-CE2 3.75Å; H272-Y326 AromaticContact CG-CG 3.62Å; H272-Y326 AromaticContact ND1-CD2 3.72Å; H272-Y326 AromaticContact ND1-CG 3.63Å; Y326-G328 PolarHBondContact O-N 3Å; Y326-H371 AromaticContact CE2-CD2 3.8Å; Y326-R374 VanDerWaalsContact CD1-CZ 3.48Å; Y326-R374 HydrophobicContact CE1-CG 4.21Å; Y326-R374 HydrophobicContact CE2-CB 4.45Å; Y326-R374 HydrophobicContact CE2-CG 4.08Å; Y326-R374 VanDerWaalsContact O-CD 3.29Å; Y326-R374 WeakPolarHBondContact O-CD 3.43Å; Y326-R374 PolarHBondContact O-NE 3.06Å; Y326-R374 PolarHBondContact O-NH1 3.34Å; Y326-R374 PolarHBondContact O-NH2 2.89Å
327	G	87.6	Confident	77.5	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.01	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-18	174.4	0	0	0	0	0	115.5	D270 P325 R374 A378	D270-G327 VanDerWaalsContact OD1-CA 3.29Å; D270-G327 WeakPolarHBondContact OD1-CA 3.45Å; D270-G327 PolarHBondContact OD1-N 3.27Å; P325-G327 PolarHBondContact O-N 3Å; G327-R374 PolarHBondContact O-NH1 3.25Å; G327-A378 VanDerWaalsContact O-CB 3.25Å; G327-A378 WeakPolarHBondContact O-CB 3.47Å
328	G	85.1	Confident	75.3	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.			trans	109.9	-168.2	175.2	0	0	0	0	0	113.3	P325 Y326 M330 R375	P325-G328 PolarHBondContact O-N 3.4Å; Y326-G328 PolarHBondContact O-N 3Å; G328-M330 PolarHBondContact O-N 3.47Å; G328-R375 WeakPolarHBondContact CA-O 3.45Å
329	L	78.6	Confident	73.7	Confident	6 Å²	6	55.4 Å²	55.4	3%	0.031	28%	0.279	C	S	.	.			trans	-76.9	62.2	179.8	-61.7	168.3	0	0	0	111.3	E296 F320 V324 R331 I347 L376	E296-L329 HydrophobicContact CB-CD2 3.82Å; E296-L329 HydrophobicContact CG-CD2 4.05Å; F320-L329 HydrophobicContact CE2-CD2 4.25Å; F320-L329 HydrophobicContact CZ-CD2 4.49Å; V324-L329 HydrophobicContact CG1-CD2 3.89Å; V324-L329 HydrophobicContact CG1-CG 4.47Å; V324-L329 HydrophobicContact CG2-CD2 4.22Å; L329-R331 PolarHBondContact O-N 2.98Å; L329-I347 HydrophobicContact CD1-CD1 3.91Å; L329-I347 HydrophobicContact CD1-CG1 3.78Å; L329-L376 HydrophobicContact CD1-CD2 4.04Å
330	M	63.3	Low	72.3	Confident	109 Å²	109	53.6 Å²	53.6	54%	0.537	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.5	-172.5	-66.4	-64.3	-70.9	0	0	113	G328	G328-M330 PolarHBondContact O-N 3.47Å
331	R	59.3	Low	71	Confident	113 Å²	113	56.7 Å²	56.7	43%	0.426	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-33.7	-173.8	-68.8	179.4	166.4	-173.3	-3.5	113.3	F290 L291 L329 L333 S334	F290-R331 VanDerWaalsContact CB-NH1 3.32Å; F290-R331 PolarHBondContact O-NH1 2.8Å; F290-R331 VanDerWaalsContact O-NH1 3.15Å; L291-R331 WeakPolarHBondContact O-CD 3.41Å; L291-R331 PolarHBondContact O-NH1 2.83Å; L329-R331 PolarHBondContact O-N 2.98Å; R331-L333 PolarHBondContact O-N 3.12Å; R331-L333 VanDerWaalsContact O-N 3.12Å; R331-S334 PolarHBondContact O-N 2.71Å; R331-S334 PolarHBondContact O-OG 3.37Å; R331-S334 VanDerWaalsContact O-OG 3.08Å
332	T	56.3	Low	70.2	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.043	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.1	177.8	-55.1	0	0	0	0	114.8	E293 E296 K343	E293-T332 HydrophobicContact CG-CG2 4.39Å; E293-T332 WeakPolarHBondContact OE1-CA 3.3Å; E296-T332 WeakPolarHBondContact CB-OG1 3.46Å; E296-T332 PolarHBondContact OE2-N 2.84Å; E296-T332 VanDerWaalsContact OE2-N 3.14Å; E296-T332 PolarHBondContact OE2-OG1 2.95Å; T332-K343 HydrophobicContact CG2-CB 4.47Å; T332-K343 HydrophobicContact CG2-CD 4.12Å; T332-K343 HydrophobicContact CG2-CG 4.48Å
333	L	54	Low	69.6	Low	58 Å²	58	61.4 Å²	61.4	30%	0.304	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	10.9	-175.8	-65.1	177.7	0	0	0	114.4	R331 Q335 K380	R331-L333 PolarHBondContact O-N 3.12Å; R331-L333 VanDerWaalsContact O-N 3.12Å; L333-Q335 PolarHBondContact O-N 2.72Å; L333-K380 HydrophobicContact CD1-CB 4.36Å
334	S	52.2	Low	69.3	Low	91 Å²	91	65.4 Å²	65.4	64%	0.636	35%	0.351	S	S	*	.	S	Bend	trans	-70.3	-13.6	177.6	60.5	0	0	0	0	113.8	R331	R331-S334 PolarHBondContact O-N 2.71Å; R331-S334 PolarHBondContact O-OG 3.37Å; R331-S334 VanDerWaalsContact O-OG 3.08Å
335	Q	48.7	Very low	69.2	Low	131 Å²	131	71.9 Å²	71.9	61%	0.612	38%	0.379	S	S	*	.			trans	-124.4	106.7	177.9	-63.6	-176.1	10.1	0	0	110.6	L333 G337	L333-Q335 PolarHBondContact O-N 2.72Å; Q335-G337 PolarHBondContact O-N 2.87Å
336	E	51.5	Low	69.1	Low	188 Å²	188	73.2 Å²	73.2	88%	0.879	39%	0.385	S	S	*	.			trans	-65.4	72.9	159	-69.2	-177.2	164.5	0	0	108.8
337	G	55.3	Low	69.1	Low	34 Å²	34	73.4 Å²	73.4	35%	0.351	39%	0.386	S	S	.	.			trans	-106.2	172	179.4	0	0	0	0	0	112.6	Q335 F339 S340	Q335-G337 PolarHBondContact O-N 2.87Å; G337-F339 PolarHBondContact O-N 3.05Å; G337-S340 WeakPolarHBondContact O-CB 3.46Å; G337-S340 PolarHBondContact O-N 3.15Å; G337-S340 PolarHBondContact O-OG 2.85Å
338	L	49.5	Very low	69.4	Low	160 Å²	160	74.7 Å²	74.7	84%	0.838	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-25.5	179.4	-173.5	66	0	0	0	114.4
339	F	61	Low	69.7	Low	146 Å²	146	77.8 Å²	77.8	64%	0.64	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	13.1	-178.4	-54.9	-72.1	0	0	0	114.2	G337 S342 K343	G337-F339 PolarHBondContact O-N 3.05Å; F339-S342 PolarHBondContact O-OG 3.31Å; F339-K343 WeakPolarHBondContact O-CG 3.25Å
340	S	65.5	Low	70.4	Confident	42 Å²	42	77.5 Å²	77.5	29%	0.294	41%	0.409	S	S	.	.	H	α-helix	trans	-63.7	-43.2	-179.8	59.2	0	0	0	0	112.6	G337 S342 K343 E344	G337-S340 WeakPolarHBondContact O-CB 3.46Å; G337-S340 PolarHBondContact O-N 3.15Å; G337-S340 PolarHBondContact O-OG 2.85Å; S340-S342 VanDerWaalsContact C-N 3.35Å; S340-S342 PolarHBondContact O-N 3.44Å; S340-K343 WeakPolarHBondContact O-CA 3.21Å; S340-K343 WeakPolarHBondContact O-CB 3.08Å; S340-K343 PolarHBondContact O-N 3.37Å; S340-E344 WeakPolarHBondContact O-CG 3.45Å; S340-E344 PolarHBondContact O-N 3.24Å
341	A	68.3	Low	71.9	Confident	65 Å²	65	72.3 Å²	72.3	54%	0.537	38%	0.383	S	S	.	.	H	α-helix	trans	-61.9	-36.5	-175.5	0	0	0	0	0	113.9	K343 K345	A341-K343 VanDerWaalsContact C-N 3.31Å; A341-K345 PolarHBondContact O-N 2.98Å; A341-K345 VanDerWaalsContact O-N 3.11Å
342	S	78.4	Confident	73.5	Confident	77 Å²	77	68 Å²	68	54%	0.538	37%	0.368	S	S	.	.	H	α-helix	trans	-68.2	-33.8	176	58.5	0	0	0	0	111.7	F339 S340 L346	F339-S342 PolarHBondContact O-OG 3.31Å; S340-S342 VanDerWaalsContact C-N 3.35Å; S340-S342 PolarHBondContact O-N 3.44Å; S342-L346 PolarHBondContact O-N 3.32Å
343	K	80	Confident	75.3	Confident	45 Å²	45	68 Å²	68	20%	0.196	37%	0.368	C	S	.	.	H	α-helix	trans	-71.5	-42	176.2	-61.6	170.3	-175.9	176.4	0	111.8	E293 T332 F339 S340 A341 K345 L346 I347	E293-K343 WeakPolarHBondContact OE1-CE 3.46Å; E293-K343 IonicContact OE1-NZ 2.77Å; E293-K343 PolarHBondContact OE1-NZ 3.48Å; E293-K343 IonicContact OE2-NZ 3.45Å; T332-K343 HydrophobicContact CG2-CB 4.47Å; T332-K343 HydrophobicContact CG2-CD 4.12Å; T332-K343 HydrophobicContact CG2-CG 4.48Å; F339-K343 WeakPolarHBondContact O-CG 3.25Å; S340-K343 WeakPolarHBondContact O-CA 3.21Å; S340-K343 WeakPolarHBondContact O-CB 3.08Å; S340-K343 PolarHBondContact O-N 3.37Å; A341-K343 VanDerWaalsContact C-N 3.31Å; K343-K345 VanDerWaalsContact C-N 3.33Å; K343-K345 PolarHBondContact O-N 3.02Å; K343-L346 WeakPolarHBondContact O-CB 3.5Å; K343-L346 PolarHBondContact O-N 3.38Å; K343-L346 VanDerWaalsContact O-N 3.16Å; K343-I347 WeakPolarHBondContact O-CG1 3.32Å; K343-I347 PolarHBondContact O-N 3.49Å
344	E	86.6	Confident	77.2	Confident	87 Å²	87	65.2 Å²	65.2	41%	0.407	35%	0.354	S	S	.	.	H	α-helix	trans	-59.5	-46	174.1	-63.9	-170.3	166.4	0	0	111.2	S340 L346 I347 V348 A381	S340-E344 WeakPolarHBondContact O-CG 3.45Å; S340-E344 PolarHBondContact O-N 3.24Å; E344-L346 VanDerWaalsContact C-N 3.27Å; E344-L346 PolarHBondContact O-N 3.07Å; E344-I347 PolarHBondContact O-N 3.02Å; E344-V348 VanDerWaalsContact O-CG2 3.3Å; E344-V348 WeakPolarHBondContact O-CG2 3.17Å; E344-V348 PolarHBondContact O-N 3.19Å; E344-A381 HydrophobicContact CB-CB 3.89Å; E344-A381 HydrophobicContact CG-CB 3.84Å
345	K	89.8	Confident	79.2	Confident	138 Å²	138	61.5 Å²	61.5	60%	0.6	33%	0.327	S	S	*	.	H	α-helix	trans	-60.1	-38.4	175.9	-172.7	176.8	-177.8	178.7	0	112	A341 K343 N349	A341-K345 PolarHBondContact O-N 2.98Å; A341-K345 VanDerWaalsContact O-N 3.11Å; K343-K345 VanDerWaalsContact C-N 3.33Å; K343-K345 PolarHBondContact O-N 3.02Å; K345-N349 VanDerWaalsContact O-CB 3.29Å; K345-N349 WeakPolarHBondContact O-CB 3.37Å; K345-N349 PolarHBondContact O-N 3.46Å; K345-N349 PolarHBondContact O-ND2 2.65Å; K345-N349 PolarHBondContact O-OD1 2.97Å
346	L	90.4	Very high	81.2	Confident	40 Å²	40	58.8 Å²	58.8	21%	0.209	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-49.7	176.5	-177.3	62	0	0	0	111.3	A297 A300 K301 S342 K343 E344 V348 N349 S350	A297-L346 HydrophobicContact CB-CD2 4.25Å; A300-L346 HydrophobicContact CB-CD2 3.93Å; A300-L346 HydrophobicContact CB-CG 3.95Å; K301-L346 HydrophobicContact CB-CD1 4.17Å; S342-L346 PolarHBondContact O-N 3.32Å; K343-L346 WeakPolarHBondContact O-CB 3.5Å; K343-L346 PolarHBondContact O-N 3.38Å; K343-L346 VanDerWaalsContact O-N 3.16Å; E344-L346 VanDerWaalsContact C-N 3.27Å; E344-L346 PolarHBondContact O-N 3.07Å; L346-V348 VanDerWaalsContact C-N 3.34Å; L346-V348 PolarHBondContact O-N 3.03Å; L346-N349 PolarHBondContact O-N 2.68Å; L346-S350 PolarHBondContact O-N 2.78Å; L346-S350 PolarHBondContact O-OG 2.77Å
347	I	90.7	Very high	82.7	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-58.2	-47	178.3	-67.5	166.3	0	0	0	110.8	L329 K343 E344 S350 A351 L376 A381	L329-I347 HydrophobicContact CD1-CD1 3.91Å; L329-I347 HydrophobicContact CD1-CG1 3.78Å; K343-I347 WeakPolarHBondContact O-CG1 3.32Å; K343-I347 PolarHBondContact O-N 3.49Å; E344-I347 PolarHBondContact O-N 3.02Å; I347-S350 PolarHBondContact O-N 2.82Å; I347-A351 PolarHBondContact O-N 2.89Å; I347-L376 HydrophobicContact CG2-CB 4.35Å; I347-L376 HydrophobicContact CG2-CD2 4.24Å; I347-A381 HydrophobicContact CB-CB 4.19Å; I347-A381 HydrophobicContact CD1-CB 3.86Å; I347-A381 HydrophobicContact CG2-CB 4.14Å
348	V	92.1	Very high	83.7	Confident	29 Å²	29	50 Å²	50	18%	0.176	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-46.1	177.5	170.5	0	0	0	0	111.4	E344 L346 S350 A351 M352 A385 I389	E344-V348 VanDerWaalsContact O-CG2 3.3Å; E344-V348 WeakPolarHBondContact O-CG2 3.17Å; E344-V348 PolarHBondContact O-N 3.19Å; L346-V348 VanDerWaalsContact C-N 3.34Å; L346-V348 PolarHBondContact O-N 3.03Å; V348-S350 PolarHBondContact O-N 2.78Å; V348-A351 PolarHBondContact O-N 2.92Å; V348-M352 WeakPolarHBondContact O-CB 3.37Å; V348-M352 WeakPolarHBondContact O-CG 3.44Å; V348-M352 PolarHBondContact O-N 2.77Å; V348-A385 HydrophobicContact CG2-CB 3.77Å; V348-I389 HydrophobicContact CB-CD1 4.44Å; V348-I389 HydrophobicContact CG1-CD1 3.27Å; V348-I389 HydrophobicContact CG2-CD1 4.31Å
349	N	92.7	Very high	84.9	Confident	64 Å²	64	45.7 Å²	45.7	34%	0.342	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-40.7	178.9	-73.1	-10.9	0	0	0	111.7	K345 L346 M352 A353	K345-N349 VanDerWaalsContact O-CB 3.29Å; K345-N349 WeakPolarHBondContact O-CB 3.37Å; K345-N349 PolarHBondContact O-N 3.46Å; K345-N349 PolarHBondContact O-ND2 2.65Å; K345-N349 PolarHBondContact O-OD1 2.97Å; L346-N349 PolarHBondContact O-N 2.68Å; N349-M352 PolarHBondContact O-N 3.03Å; N349-A353 WeakPolarHBondContact O-CB 3.36Å; N349-A353 PolarHBondContact O-N 3.12Å
350	S	93.2	Very high	85.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-43.6	175.4	-54.7	0	0	0	0	111.3	A300 L346 I347 V348 M352 A353 I354	A300-S350 PolarHBondContact O-OG 2.9Å; L346-S350 PolarHBondContact O-N 2.78Å; L346-S350 PolarHBondContact O-OG 2.77Å; I347-S350 PolarHBondContact O-N 2.82Å; V348-S350 PolarHBondContact O-N 2.78Å; S350-M352 VanDerWaalsContact C-N 3.34Å; S350-M352 PolarHBondContact O-N 3.19Å; S350-A353 PolarHBondContact O-N 2.88Å; S350-I354 WeakPolarHBondContact O-CD1 3.35Å; S350-I354 VanDerWaalsContact O-CG1 3.28Å; S350-I354 WeakPolarHBondContact O-CG1 3.24Å; S350-I354 PolarHBondContact O-N 3.19Å; S350-I354 VanDerWaalsContact O-N 3.07Å
351	A	94.3	Very high	86.6	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-42.8	176.7	0	0	0	0	0	111.5	I347 V348 I354 V355 L373 L376 F377 L392	I347-A351 PolarHBondContact O-N 2.89Å; V348-A351 PolarHBondContact O-N 2.92Å; A351-I354 PolarHBondContact O-N 3.29Å; A351-V355 PolarHBondContact O-N 2.81Å; A351-V355 VanDerWaalsContact O-N 3.13Å; A351-L373 HydrophobicContact CB-CD2 4.2Å; A351-L376 HydrophobicContact CB-CD1 4.16Å; A351-F377 HydrophobicContact CB-CE1 4.35Å; A351-L392 HydrophobicContact CB-CD1 4.28Å
352	M	93.8	Very high	87.7	Confident	24 Å²	24	42.1 Å²	42.1	12%	0.118	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-45.3	174	-77.1	-58.5	-50.9	0	0	112.4	V348 N349 S350 I354 V355 E356 I389 R391 L392	V348-M352 WeakPolarHBondContact O-CB 3.37Å; V348-M352 WeakPolarHBondContact O-CG 3.44Å; V348-M352 PolarHBondContact O-N 2.77Å; N349-M352 PolarHBondContact O-N 3.03Å; S350-M352 VanDerWaalsContact C-N 3.34Å; S350-M352 PolarHBondContact O-N 3.19Å; M352-I354 VanDerWaalsContact C-N 3.26Å; M352-I354 PolarHBondContact O-N 3.37Å; M352-V355 HydrophobicContact CE-CG2 4.49Å; M352-V355 WeakPolarHBondContact O-CG2 3.4Å; M352-V355 PolarHBondContact O-N 2.94Å; M352-V355 HydrophobicContact SD-CG2 4.42Å; M352-E356 HydrophobicContact CE-CG 4.41Å; M352-E356 WeakPolarHBondContact CE-OE1 3.39Å; M352-E356 WeakPolarHBondContact O-CB 3.25Å; M352-E356 WeakPolarHBondContact O-CG 3.23Å; M352-E356 PolarHBondContact O-N 3.24Å; M352-E356 VanDerWaalsContact O-N 3.13Å; M352-I389 HydrophobicContact SD-CG2 4.36Å; M352-R391 HydrophobicContact CE-CG 3.9Å; M352-L392 HydrophobicContact SD-CB 3.69Å; M352-L392 HydrophobicContact SD-CD1 3.95Å; M352-L392 HydrophobicContact SD-CG 4.36Å
353	A	92.8	Very high	88.4	Confident	5 Å²	5	40.8 Å²	40.8	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-37.8	177.6	0	0	0	0	0	112.2	I303 F307 N349 S350 G357	I303-A353 HydrophobicContact CG2-CB 4.27Å; F307-A353 HydrophobicContact CD1-CB 4.18Å; F307-A353 HydrophobicContact CE1-CB 3.6Å; F307-A353 HydrophobicContact CZ-CB 4.26Å; N349-A353 WeakPolarHBondContact O-CB 3.36Å; N349-A353 PolarHBondContact O-N 3.12Å; S350-A353 PolarHBondContact O-N 2.88Å; A353-G357 PolarHBondContact O-N 3.44Å; A353-G357 VanDerWaalsContact O-N 3.16Å
354	I	94.2	Very high	89.1	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-49.9	179.4	-63.3	161.2	0	0	0	111.5	I303 L317 S350 A351 M352 E356 G357 M369 A372 L373 L376	I303-I354 HydrophobicContact CG2-CD1 4.21Å; I303-I354 HydrophobicContact CG2-CG1 3.92Å; L317-I354 HydrophobicContact CD2-CD1 3.74Å; L317-I354 HydrophobicContact CD2-CG1 3.62Å; S350-I354 WeakPolarHBondContact O-CD1 3.35Å; S350-I354 VanDerWaalsContact O-CG1 3.28Å; S350-I354 WeakPolarHBondContact O-CG1 3.24Å; S350-I354 PolarHBondContact O-N 3.19Å; S350-I354 VanDerWaalsContact O-N 3.07Å; A351-I354 PolarHBondContact O-N 3.29Å; M352-I354 VanDerWaalsContact C-N 3.26Å; M352-I354 PolarHBondContact O-N 3.37Å; I354-E356 PolarHBondContact O-N 3.11Å; I354-E356 VanDerWaalsContact O-N 3.15Å; I354-G357 PolarHBondContact O-N 2.97Å; I354-M369 HydrophobicContact CG2-CB 3.71Å; I354-M369 HydrophobicContact CG2-CG 3.98Å; I354-A372 HydrophobicContact CD1-CB 3.75Å; I354-L373 HydrophobicContact CB-CD2 4.02Å; I354-L373 HydrophobicContact CB-CG 4.15Å; I354-L373 HydrophobicContact CD1-CD2 4.15Å; I354-L373 HydrophobicContact CD1-CG 4.26Å; I354-L373 HydrophobicContact CG2-CD1 3.85Å; I354-L373 HydrophobicContact CG2-CD2 4.09Å; I354-L373 HydrophobicContact CG2-CG 3.66Å; I354-L376 HydrophobicContact CD1-CD1 3.59Å
355	V	93.8	Very high	89.4	Confident	12 Å²	12	39.1 Å²	39.1	7%	0.073	22%	0.224	C	C	.	.	H	α-helix	trans	-67.1	-15.9	-179.4	-59	0	0	0	0	113	A351 M352 L373 L392 K395 L396 M399	A351-V355 PolarHBondContact O-N 2.81Å; A351-V355 VanDerWaalsContact O-N 3.13Å; M352-V355 HydrophobicContact CE-CG2 4.49Å; M352-V355 WeakPolarHBondContact O-CG2 3.4Å; M352-V355 PolarHBondContact O-N 2.94Å; M352-V355 HydrophobicContact SD-CG2 4.42Å; V355-L373 HydrophobicContact CG1-CD1 4.04Å; V355-L373 HydrophobicContact CG1-CD2 4.09Å; V355-L392 HydrophobicContact CG1-CD1 3.9Å; V355-L392 HydrophobicContact CG2-CD1 3.83Å; V355-K395 HydrophobicContact CB-CB 3.8Å; V355-K395 HydrophobicContact CG2-CB 3.59Å; V355-K395 HydrophobicContact CG2-CG 4.4Å; V355-L396 HydrophobicContact CG1-CB 4.23Å; V355-L396 HydrophobicContact CG1-CD1 4.32Å; V355-M399 HydrophobicContact CG1-SD 4.25Å
356	E	91	Very high	89.7	Confident	74 Å²	74	32.6 Å²	32.6	35%	0.346	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-2.9	174	-66.4	-178.1	170.3	0	0	113.5	M352 I354 G358 R391	M352-E356 HydrophobicContact CE-CG 4.41Å; M352-E356 WeakPolarHBondContact CE-OE1 3.39Å; M352-E356 WeakPolarHBondContact O-CB 3.25Å; M352-E356 WeakPolarHBondContact O-CG 3.23Å; M352-E356 PolarHBondContact O-N 3.24Å; M352-E356 VanDerWaalsContact O-N 3.13Å; I354-E356 PolarHBondContact O-N 3.11Å; I354-E356 VanDerWaalsContact O-N 3.15Å; E356-G358 PolarHBondContact O-N 2.93Å; E356-R391 IonicContact OE1-CZ 2.58Å; E356-R391 IonicContact OE1-NE 3.85Å; E356-R391 PolarHBondContact OE1-NE 3.1Å; E356-R391 IonicContact OE1-NH2 3.24Å; E356-R391 PolarHBondContact OE1-NH2 3.12Å; E356-R391 IonicContact OE2-NH2 3.69Å
357	G	84.2	Confident	89.9	Confident	12 Å²	12	30.9 Å²	30.9	12%	0.124	19%	0.186	C	C	.	.	S	Bend	trans	-64.6	-8	-176.8	0	0	0	0	0	115.8	A353 I354	A353-G357 PolarHBondContact O-N 3.44Å; A353-G357 VanDerWaalsContact O-N 3.16Å; I354-G357 PolarHBondContact O-N 2.97Å
358	G	75.7	Confident	90.1	Very high	25 Å²	25	31.6 Å²	31.6	26%	0.258	19%	0.19	S	C	.	.			trans	95.4	167	174.6	0	0	0	0	0	114.5	E356	E356-G358 PolarHBondContact O-N 2.93Å
359	T	74.4	Confident	90.3	Very high	70 Å²	70	30.2 Å²	30.2	43%	0.429	18%	0.182	S	C	.	.	S	Bend	trans	-110.8	-7.1	-168.7	58.5	0	0	0	0	115	W366 C402	T359-W366 VanDerWaalsContact CA-CZ2 3.48Å; T359-W366 HydrophobicContact CG2-CH2 4.08Å; T359-W366 HydrophobicContact CG2-CZ2 4.44Å; T359-W366 WeakPolarHBondContact O-CZ2 3.33Å; T359-C402 HydrophobicContact CG2-CB 3.85Å
360	C	75.3	Confident	90.5	Very high	106 Å²	106	27.2 Å²	27.2	72%	0.716	17%	0.165	S	C	*	.			trans	-104.9	72.7	-178.3	-57.3	0	0	0	0	109.8	R310	R310-C360 PolarHBondContact NH1-O 3.09Å; R310-C360 VanDerWaalsContact NH1-O 3.13Å
361	I	86.2	Confident	90.6	Very high	26 Å²	26	27.4 Å²	27.4	13%	0.133	17%	0.167	C	C	.	.			trans	-134.5	166.2	-177.2	65.3	-176.2	0	0	0	110.4	D365 W366 M369	I361-D365 HydrophobicContact CB-CB 3.88Å; I361-D365 HydrophobicContact CD1-CB 3.89Å; I361-D365 HydrophobicContact CG1-CB 4.02Å; I361-W366 HydrophobicContact CD1-CB 4.48Å; I361-W366 HydrophobicContact CD1-CD2 3.72Å; I361-W366 HydrophobicContact CD1-CE3 4.02Å; I361-W366 HydrophobicContact CD1-CG 3.89Å; I361-W366 VanDerWaalsContact CG1-CD1 3.45Å; I361-W366 HydrophobicContact CG1-CD2 3.76Å; I361-W366 HydrophobicContact CG1-CG 3.71Å; I361-W366 HydrophobicContact CG1-CZ2 4.45Å; I361-W366 PolarHBondContact O-NE1 3Å; I361-M369 HydrophobicContact CD1-CE 3.41Å; I361-M369 VanDerWaalsContact CD1-CE 3.41Å; I361-M369 HydrophobicContact CD1-CG 4.31Å; I361-M369 HydrophobicContact CD1-SD 3.42Å; I361-M369 WeakPolarHBondContact CD1-SD 3.42Å
362	S	92.5	Very high	90.7	Very high	46 Å²	46	27.4 Å²	27.4	32%	0.322	17%	0.167	S	C	.	.			trans	-67.3	158.1	178.9	72.5	0	0	0	0	111.9	E364 D365 W366	S362-E364 PolarHBondContact O-N 3.21Å; S362-D365 PolarHBondContact O-N 2.88Å; S362-D365 VanDerWaalsContact O-N 3.11Å; S362-D365 PolarHBondContact OG-N 2.59Å; S362-D365 VanDerWaalsContact OG-N 3.13Å; S362-D365 PolarHBondContact OG-OD2 2.71Å; S362-W366 VanDerWaalsContact O-CD1 3.28Å; S362-W366 PolarHBondContact O-N 2.79Å
363	P	93.1	Very high	90.8	Very high	50 Å²	50	26.3 Å²	26.3	33%	0.325	16%	0.161	S	C	.	.	H	α-helix	trans	-54.7	-37	172.9	-27.2	35.8	0	0	0	113.5	M275 W366 E367 V411	M275-P363 HydrophobicContact CE-CB 3.79Å; M275-P363 HydrophobicContact SD-CB 4.32Å; P363-W366 WeakPolarHBondContact O-CB 3.2Å; P363-W366 PolarHBondContact O-N 3.19Å; P363-E367 PolarHBondContact O-N 2.96Å; P363-V411 HydrophobicContact CB-CG2 3.9Å; P363-V411 WeakPolarHBondContact O-CG2 3.35Å
364	E	93.5	Very high	90.9	Very high	77 Å²	77	26.2 Å²	26.2	36%	0.36	16%	0.16	S	C	.	.	H	α-helix	trans	-66.3	-40.1	176.6	-178.3	173.9	-157.2	0	0	111.7	M275 S276 S362 W366 E367 N368	M275-E364 HydrophobicContact SD-CB 4.49Å; S276-E364 PolarHBondContact OG-OE1 3.22Å; S362-E364 PolarHBondContact O-N 3.21Å; E364-W366 VanDerWaalsContact C-N 3.35Å; E364-E367 PolarHBondContact O-N 3.38Å; E364-N368 WeakPolarHBondContact O-CB 3.41Å; E364-N368 PolarHBondContact O-N 3.16Å; E364-N368 PolarHBondContact O-ND2 2.82Å
365	D	93.9	Very high	90.9	Very high	19 Å²	19	26.3 Å²	26.3	10%	0.102	16%	0.16	C	C	.	.	H	α-helix	trans	-68.5	-37	176.4	-64.8	-45.2	0	0	0	111.3	L314 R318 I361 S362 N368 M369	L314-D365 HydrophobicContact CD1-CB 4.34Å; L314-D365 HydrophobicContact CD2-CB 3.79Å; R318-D365 IonicContact CZ-OD1 3.9Å; R318-D365 IonicContact NH1-OD1 3.21Å; R318-D365 PolarHBondContact NH1-OD1 2.7Å; R318-D365 IonicContact NH2-OD1 3.8Å; R318-D365 PolarHBondContact NH2-OD1 2.71Å; I361-D365 HydrophobicContact CB-CB 3.88Å; I361-D365 HydrophobicContact CD1-CB 3.89Å; I361-D365 HydrophobicContact CG1-CB 4.02Å; S362-D365 PolarHBondContact O-N 2.88Å; S362-D365 VanDerWaalsContact O-N 3.11Å; S362-D365 PolarHBondContact OG-N 2.59Å; S362-D365 VanDerWaalsContact OG-N 3.13Å; S362-D365 PolarHBondContact OG-OD2 2.71Å; D365-N368 PolarHBondContact O-N 2.93Å; D365-M369 WeakPolarHBondContact O-CG 3.5Å; D365-M369 PolarHBondContact O-N 3.03Å
366	W	95.4	Very high	90.9	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-59.2	-49.8	171.3	-84.1	116.7	0	0	0	112.1	T359 I361 S362 P363 E364 N368 M369 Y370 M399 C402 L406 V411	T359-W366 VanDerWaalsContact CA-CZ2 3.48Å; T359-W366 HydrophobicContact CG2-CH2 4.08Å; T359-W366 HydrophobicContact CG2-CZ2 4.44Å; T359-W366 WeakPolarHBondContact O-CZ2 3.33Å; I361-W366 HydrophobicContact CD1-CB 4.48Å; I361-W366 HydrophobicContact CD1-CD2 3.72Å; I361-W366 HydrophobicContact CD1-CE3 4.02Å; I361-W366 HydrophobicContact CD1-CG 3.89Å; I361-W366 VanDerWaalsContact CG1-CD1 3.45Å; I361-W366 HydrophobicContact CG1-CD2 3.76Å; I361-W366 HydrophobicContact CG1-CG 3.71Å; I361-W366 HydrophobicContact CG1-CZ2 4.45Å; I361-W366 PolarHBondContact O-NE1 3Å; S362-W366 VanDerWaalsContact O-CD1 3.28Å; S362-W366 PolarHBondContact O-N 2.79Å; P363-W366 WeakPolarHBondContact O-CB 3.2Å; P363-W366 PolarHBondContact O-N 3.19Å; E364-W366 VanDerWaalsContact C-N 3.35Å; W366-N368 VanDerWaalsContact C-N 3.28Å; W366-N368 PolarHBondContact O-N 2.84Å; W366-M369 HydrophobicContact CE3-SD 4.48Å; W366-M369 PolarHBondContact O-N 2.94Å; W366-Y370 HydrophobicContact CE3-CE2 4.04Å; W366-Y370 WeakPolarHBondContact O-CD2 3.24Å; W366-Y370 PolarHBondContact O-N 3.2Å; W366-Y370 VanDerWaalsContact O-N 3.09Å; W366-M399 HydrophobicContact CE3-CE 3.94Å; W366-M399 HydrophobicContact CE3-CG 4.43Å; W366-M399 HydrophobicContact CH2-CG 4.01Å; W366-M399 HydrophobicContact CZ3-CE 3.72Å; W366-M399 HydrophobicContact CZ3-CG 3.4Å; W366-M399 HydrophobicContact CZ3-SD 4.4Å; W366-C402 HydrophobicContact CH2-CB 4.48Å; W366-L406 HydrophobicContact CG-CD1 4.15Å; W366-V411 HydrophobicContact CB-CG1 3.93Å; W366-V411 HydrophobicContact CB-CG2 3.8Å; W366-V411 HydrophobicContact CG-CG1 4.36Å
367	E	95.4	Very high	91	Very high	5 Å²	5	22.2 Å²	22.2	2%	0.023	14%	0.14	C	C	.	.	H	α-helix	trans	-56.9	-44.1	175.6	-179.1	-179.8	-108.9	0	0	110.8	K274 M275 P363 E364 M369 Y370 H371 A414	K274-E367 VanDerWaalsContact CA-OE1 3.22Å; K274-E367 WeakPolarHBondContact CA-OE1 3.45Å; M275-E367 HydrophobicContact CE-CB 4.23Å; M275-E367 WeakPolarHBondContact CG-OE1 3.45Å; M275-E367 PolarHBondContact N-OE1 3.41Å; M275-E367 PolarHBondContact N-OE2 3.12Å; P363-E367 PolarHBondContact O-N 2.96Å; E364-E367 PolarHBondContact O-N 3.38Å; E367-M369 PolarHBondContact O-N 3.28Å; E367-Y370 PolarHBondContact O-N 2.9Å; E367-H371 WeakPolarHBondContact CG-CE1 3.29Å; E367-H371 VanDerWaalsContact O-CB 3.27Å; E367-H371 WeakPolarHBondContact O-CB 3.43Å; E367-H371 PolarHBondContact O-N 2.86Å; E367-H371 IonicContact OE1-CE1 3.35Å; E367-A414 HydrophobicContact CG-CB 4.27Å
368	N	95.4	Very high	91.3	Very high	17 Å²	17	21.8 Å²	21.8	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-39.9	177.8	-84.1	-68.9	0	0	0	113.1	N321 E364 D365 W366 A372	N321-N368 WeakPolarHBondContact ND2-CA 3.19Å; N321-N368 PolarHBondContact ND2-O 3.24Å; N321-N368 PolarHBondContact ND2-OD1 2.88Å; N321-N368 VanDerWaalsContact ND2-OD1 3.09Å; E364-N368 WeakPolarHBondContact O-CB 3.41Å; E364-N368 PolarHBondContact O-N 3.16Å; E364-N368 PolarHBondContact O-ND2 2.82Å; D365-N368 PolarHBondContact O-N 2.93Å; W366-N368 VanDerWaalsContact C-N 3.28Å; W366-N368 PolarHBondContact O-N 2.84Å; N368-A372 WeakPolarHBondContact O-CB 3.32Å; N368-A372 PolarHBondContact O-N 2.74Å
369	M	95.6	Very high	91.9	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-46.6	175	-71.8	-174.2	176.7	0	0	111.6	L314 L317 I354 I361 D365 W366 E367 A372 L373 M399	L314-M369 HydrophobicContact CD2-CE 3.84Å; L317-M369 HydrophobicContact CD1-CG 3.78Å; I354-M369 HydrophobicContact CG2-CB 3.71Å; I354-M369 HydrophobicContact CG2-CG 3.98Å; I361-M369 HydrophobicContact CD1-CE 3.41Å; I361-M369 VanDerWaalsContact CD1-CE 3.41Å; I361-M369 HydrophobicContact CD1-CG 4.31Å; I361-M369 HydrophobicContact CD1-SD 3.42Å; I361-M369 WeakPolarHBondContact CD1-SD 3.42Å; D365-M369 WeakPolarHBondContact O-CG 3.5Å; D365-M369 PolarHBondContact O-N 3.03Å; W366-M369 HydrophobicContact CE3-SD 4.48Å; W366-M369 PolarHBondContact O-N 2.94Å; E367-M369 PolarHBondContact O-N 3.28Å; M369-A372 PolarHBondContact O-N 3.49Å; M369-L373 WeakPolarHBondContact O-CG 3.41Å; M369-L373 PolarHBondContact O-N 3Å; M369-M399 HydrophobicContact CB-CE 3.54Å; M369-M399 HydrophobicContact CG-CE 4.46Å; M369-M399 HydrophobicContact SD-CE 4.13Å
370	Y	96.4	Very high	92.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-43.5	178.2	-75.2	-56.1	0	0	0	112.7	W366 E367 A372 L373 R374 M399 V400 S403 V411 A414 A415 T418	W366-Y370 HydrophobicContact CE3-CE2 4.04Å; W366-Y370 WeakPolarHBondContact O-CD2 3.24Å; W366-Y370 PolarHBondContact O-N 3.2Å; W366-Y370 VanDerWaalsContact O-N 3.09Å; E367-Y370 PolarHBondContact O-N 2.9Å; Y370-A372 PolarHBondContact O-N 2.92Å; Y370-L373 PolarHBondContact O-N 2.97Å; Y370-R374 WeakPolarHBondContact O-CB 3.45Å; Y370-R374 PolarHBondContact O-N 3.19Å; Y370-M399 HydrophobicContact CD1-CE 3.86Å; Y370-M399 HydrophobicContact CD2-CE 4.37Å; Y370-M399 HydrophobicContact CE1-CE 3.53Å; Y370-M399 HydrophobicContact CE1-CG 4.5Å; Y370-M399 HydrophobicContact CE1-SD 4.12Å; Y370-M399 HydrophobicContact CE2-CE 4.1Å; Y370-M399 HydrophobicContact CG-CE 4.25Å; Y370-M399 PolarHBondContact OH-O 3.35Å; Y370-V400 HydrophobicContact CE1-CG2 4.16Å; Y370-V400 VanDerWaalsContact OH-CA 3.27Å; Y370-V400 WeakPolarHBondContact OH-CA 3.34Å; Y370-V400 PolarHBondContact OH-N 2.79Å; Y370-S403 WeakPolarHBondContact OH-CB 3.3Å; Y370-S403 PolarHBondContact OH-OG 3.16Å; Y370-V411 HydrophobicContact CD2-CG1 4.48Å; Y370-V411 HydrophobicContact CE2-CG1 4.04Å; Y370-A414 HydrophobicContact CD2-CB 4.29Å; Y370-A414 HydrophobicContact CG-CB 4.31Å; Y370-A415 HydrophobicContact CD1-CB 4.21Å; Y370-A415 HydrophobicContact CD2-CB 4.12Å; Y370-A415 HydrophobicContact CE1-CB 3.86Å; Y370-A415 HydrophobicContact CE2-CB 3.74Å; Y370-A415 HydrophobicContact CG-CB 4.35Å; Y370-T418 HydrophobicContact CD1-CG2 4.37Å; Y370-T418 PolarHBondContact O-OG1 3.33Å
371	H	96.4	Very high	93.2	Very high	5 Å²	5	16 Å²	16	2%	0.023	9%	0.087	C	C	.	.	H	α-helix	trans	-58.8	-36.2	174.9	-80.9	177.3	0	0	0	112.7	H272 V273 N321 Y326 E367 R375	H272-H371 AromaticContact CD2-CE1 3.78Å; V273-H371 PolarHBondContact O-CE1 3.34Å; V273-H371 PolarHBondContact O-NE2 3.43Å; N321-H371 VanDerWaalsContact OD1-C 3.31Å; Y326-H371 AromaticContact CE2-CD2 3.8Å; E367-H371 WeakPolarHBondContact CG-CE1 3.29Å; E367-H371 VanDerWaalsContact O-CB 3.27Å; E367-H371 WeakPolarHBondContact O-CB 3.43Å; E367-H371 PolarHBondContact O-N 2.86Å; E367-H371 IonicContact OE1-CE1 3.35Å; H371-R375 WeakPolarHBondContact O-CG 3.45Å; H371-R375 PolarHBondContact O-N 3.06Å; H371-R375 PolarHBondContact O-NH1 3.32Å
372	A	95.9	Very high	93.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-72.5	-47.2	174.8	0	0	0	0	0	111.6	L317 F320 N321 I354 N368 M369 Y370 R374 R375 L376	L317-A372 HydrophobicContact CD2-CB 3.47Å; L317-A372 VanDerWaalsContact CD2-CB 3.47Å; F320-A372 HydrophobicContact CD1-CB 3.87Å; F320-A372 HydrophobicContact CE1-CB 4.03Å; N321-A372 VanDerWaalsContact OD1-CA 3.26Å; N321-A372 WeakPolarHBondContact OD1-CA 3.3Å; N321-A372 PolarHBondContact OD1-N 3.1Å; N321-A372 VanDerWaalsContact OD1-N 3.1Å; I354-A372 HydrophobicContact CD1-CB 3.75Å; N368-A372 WeakPolarHBondContact O-CB 3.32Å; N368-A372 PolarHBondContact O-N 2.74Å; M369-A372 PolarHBondContact O-N 3.49Å; Y370-A372 PolarHBondContact O-N 2.92Å; A372-R374 VanDerWaalsContact C-N 3.33Å; A372-R374 PolarHBondContact O-N 3.45Å; A372-R375 WeakPolarHBondContact O-CB 3.28Å; A372-R375 PolarHBondContact O-N 3.22Å; A372-R375 VanDerWaalsContact O-N 3.13Å; A372-L376 WeakPolarHBondContact O-CG 3.2Å; A372-L376 PolarHBondContact O-N 3Å
373	L	95.9	Very high	93.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.6	-44.5	177.1	-77.8	171.4	0	0	0	112.3	A351 I354 V355 M369 Y370 R375 L376 F377 L396 M399 T418	A351-L373 HydrophobicContact CB-CD2 4.2Å; I354-L373 HydrophobicContact CB-CD2 4.02Å; I354-L373 HydrophobicContact CB-CG 4.15Å; I354-L373 HydrophobicContact CD1-CD2 4.15Å; I354-L373 HydrophobicContact CD1-CG 4.26Å; I354-L373 HydrophobicContact CG2-CD1 3.85Å; I354-L373 HydrophobicContact CG2-CD2 4.09Å; I354-L373 HydrophobicContact CG2-CG 3.66Å; V355-L373 HydrophobicContact CG1-CD1 4.04Å; V355-L373 HydrophobicContact CG1-CD2 4.09Å; M369-L373 WeakPolarHBondContact O-CG 3.41Å; M369-L373 PolarHBondContact O-N 3Å; Y370-L373 PolarHBondContact O-N 2.97Å; L373-R375 VanDerWaalsContact C-N 3.3Å; L373-R375 PolarHBondContact O-N 2.76Å; L373-L376 PolarHBondContact O-N 2.94Å; L373-L376 VanDerWaalsContact O-N 3.16Å; L373-F377 HydrophobicContact CB-CD2 4.3Å; L373-F377 HydrophobicContact CB-CE2 4Å; L373-F377 HydrophobicContact CD2-CE1 4.48Å; L373-F377 HydrophobicContact CD2-CE2 4.16Å; L373-F377 HydrophobicContact CD2-CZ 3.89Å; L373-F377 WeakPolarHBondContact O-CB 3.43Å; L373-F377 WeakPolarHBondContact O-CD2 3.39Å; L373-F377 VanDerWaalsContact O-CG 3.29Å; L373-F377 WeakPolarHBondContact O-CG 3.35Å; L373-F377 PolarHBondContact O-N 2.82Å; L373-L396 HydrophobicContact CD1-CD1 4Å; L373-M399 HydrophobicContact CD1-CE 3.93Å; L373-M399 HydrophobicContact CD1-SD 3.74Å; L373-T418 HydrophobicContact CB-CG2 3.82Å
374	R	94.4	Very high	93.4	Very high	4 Å²	4	12 Å²	12	2%	0.015	6%	0.058	C	C	.	.	H	α-helix	trans	-53.9	-48.1	175.2	-177.5	-81	-173.8	-142.3	22.5	111.2	V269 Y326 G327 Y370 A372 L376 F377 A378 T421 M426	V269-R374 PolarHBondContact O-NH2 3.31Å; Y326-R374 VanDerWaalsContact CD1-CZ 3.48Å; Y326-R374 HydrophobicContact CE1-CG 4.21Å; Y326-R374 HydrophobicContact CE2-CB 4.45Å; Y326-R374 HydrophobicContact CE2-CG 4.08Å; Y326-R374 VanDerWaalsContact O-CD 3.29Å; Y326-R374 WeakPolarHBondContact O-CD 3.43Å; Y326-R374 PolarHBondContact O-NE 3.06Å; Y326-R374 PolarHBondContact O-NH1 3.34Å; Y326-R374 PolarHBondContact O-NH2 2.89Å; G327-R374 PolarHBondContact O-NH1 3.25Å; Y370-R374 WeakPolarHBondContact O-CB 3.45Å; Y370-R374 PolarHBondContact O-N 3.19Å; A372-R374 VanDerWaalsContact C-N 3.33Å; A372-R374 PolarHBondContact O-N 3.45Å; R374-L376 VanDerWaalsContact C-N 3.34Å; R374-L376 PolarHBondContact O-N 2.81Å; R374-F377 PolarHBondContact O-N 2.75Å; R374-A378 VanDerWaalsContact NH1-CB 3.28Å; R374-A378 WeakPolarHBondContact O-CB 3.44Å; R374-A378 PolarHBondContact O-N 3.4Å; R374-T421 WeakPolarHBondContact CG-OG1 3.37Å; R374-M426 PolarHBondContact NH1-SD 2.85Å; R374-M426 PolarHBondContact NH2-SD 3.36Å; R374-M426 VanDerWaalsContact NH2-SD 3.44Å
375	R	94	Very high	93.4	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.008	4%	0.042	C	C	.	.	H	α-helix	trans	-64.6	-37.9	179.9	-71.4	170.6	173.3	77.6	-4.8	112.1	F320 N321 V324 P325 G328 H371 A372 L373	F320-R375 HydrophobicContact CE1-CB 3.81Å; F320-R375 HydrophobicContact CE1-CG 4.4Å; F320-R375 HydrophobicContact CZ-CB 4.09Å; N321-R375 PolarHBondContact O-NH2 3.48Å; N321-R375 VanDerWaalsContact O-NH2 3.12Å; N321-R375 PolarHBondContact OD1-NH1 3.28Å; V324-R375 HydrophobicContact CG1-CB 4.35Å; V324-R375 HydrophobicContact CG1-CG 4.41Å; V324-R375 PolarHBondContact O-NE 3.44Å; P325-R375 WeakPolarHBondContact O-CG 3.37Å; P325-R375 PolarHBondContact O-NE 2.95Å; G328-R375 WeakPolarHBondContact CA-O 3.45Å; H371-R375 WeakPolarHBondContact O-CG 3.45Å; H371-R375 PolarHBondContact O-N 3.06Å; H371-R375 PolarHBondContact O-NH1 3.32Å; A372-R375 WeakPolarHBondContact O-CB 3.28Å; A372-R375 PolarHBondContact O-N 3.22Å; A372-R375 VanDerWaalsContact O-N 3.13Å; L373-R375 VanDerWaalsContact C-N 3.3Å; L373-R375 PolarHBondContact O-N 2.76Å
376	L	93.7	Very high	93.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-69.7	-43.9	176	-64.7	174.3	0	0	0	111.6	F320 L329 I347 A351 I354 A372 L373 R374 A378 S379 G382	F320-L376 HydrophobicContact CE2-CD2 4.35Å; F320-L376 HydrophobicContact CZ-CD2 3.89Å; F320-L376 HydrophobicContact CZ-CG 4.23Å; L329-L376 HydrophobicContact CD1-CD2 4.04Å; I347-L376 HydrophobicContact CG2-CB 4.35Å; I347-L376 HydrophobicContact CG2-CD2 4.24Å; A351-L376 HydrophobicContact CB-CD1 4.16Å; I354-L376 HydrophobicContact CD1-CD1 3.59Å; A372-L376 WeakPolarHBondContact O-CG 3.2Å; A372-L376 PolarHBondContact O-N 3Å; L373-L376 PolarHBondContact O-N 2.94Å; L373-L376 VanDerWaalsContact O-N 3.16Å; R374-L376 VanDerWaalsContact C-N 3.34Å; R374-L376 PolarHBondContact O-N 2.81Å; L376-A378 VanDerWaalsContact C-N 3.26Å; L376-A378 PolarHBondContact O-N 2.95Å; L376-S379 VanDerWaalsContact O-CB 3.29Å; L376-S379 WeakPolarHBondContact O-CB 3.41Å; L376-S379 PolarHBondContact O-N 3.23Å; L376-S379 VanDerWaalsContact O-N 3.09Å; L376-S379 PolarHBondContact O-OG 3.21Å; L376-G382 WeakPolarHBondContact O-CA 3.44Å
377	F	93.4	Very high	93.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-69.8	-21.1	178.2	-66.3	-28.6	0	0	0	113.9	A351 L373 R374 S379 G382 L392 L396 T418 T421 L422	A351-F377 HydrophobicContact CB-CE1 4.35Å; L373-F377 HydrophobicContact CB-CD2 4.3Å; L373-F377 HydrophobicContact CB-CE2 4Å; L373-F377 HydrophobicContact CD2-CE1 4.48Å; L373-F377 HydrophobicContact CD2-CE2 4.16Å; L373-F377 HydrophobicContact CD2-CZ 3.89Å; L373-F377 WeakPolarHBondContact O-CB 3.43Å; L373-F377 WeakPolarHBondContact O-CD2 3.39Å; L373-F377 VanDerWaalsContact O-CG 3.29Å; L373-F377 WeakPolarHBondContact O-CG 3.35Å; L373-F377 PolarHBondContact O-N 2.82Å; R374-F377 PolarHBondContact O-N 2.75Å; F377-S379 PolarHBondContact O-N 3.46Å; F377-G382 WeakPolarHBondContact CD1-O 3.36Å; F377-L392 HydrophobicContact CE1-CD2 4.24Å; F377-L396 HydrophobicContact CE2-CD1 4.47Å; F377-L396 HydrophobicContact CE2-CD2 3.89Å; F377-L396 HydrophobicContact CZ-CD2 4.05Å; F377-T418 HydrophobicContact CD2-CG2 3.72Å; F377-T418 HydrophobicContact CE2-CG2 3.78Å; F377-T421 HydrophobicContact CB-CG2 4.01Å; F377-L422 HydrophobicContact CB-CD2 3.93Å; F377-L422 HydrophobicContact CB-CG 4.48Å; F377-L422 HydrophobicContact CD1-CD2 3.95Å; F377-L422 HydrophobicContact CD2-CD1 4.07Å; F377-L422 HydrophobicContact CD2-CD2 3.82Å; F377-L422 HydrophobicContact CD2-CG 3.88Å; F377-L422 HydrophobicContact CE1-CD2 4.41Å; F377-L422 HydrophobicContact CE2-CD1 3.97Å; F377-L422 HydrophobicContact CE2-CD2 4.29Å; F377-L422 HydrophobicContact CE2-CG 4.3Å; F377-L422 HydrophobicContact CG-CD2 3.64Å; F377-L422 HydrophobicContact CG-CG 4.2Å
378	A	90.7	Very high	93.2	Very high	3 Å²	3	13.2 Å²	13.2	3%	0.025	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.1	170.8	0	0	0	0	0	113.2	G327 R374 L376 T421 M426 N427	G327-A378 VanDerWaalsContact O-CB 3.25Å; G327-A378 WeakPolarHBondContact O-CB 3.47Å; R374-A378 VanDerWaalsContact NH1-CB 3.28Å; R374-A378 WeakPolarHBondContact O-CB 3.44Å; R374-A378 PolarHBondContact O-N 3.4Å; L376-A378 VanDerWaalsContact C-N 3.26Å; L376-A378 PolarHBondContact O-N 2.95Å; A378-T421 HydrophobicContact CB-CG2 4.15Å; A378-M426 HydrophobicContact CB-CB 4.05Å; A378-M426 HydrophobicContact CB-SD 4.34Å; A378-N427 WeakPolarHBondContact O-CB 3.36Å
379	S	88.9	Confident	93.2	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.021	8%	0.076	C	C	.	.	S	Bend	trans	-80.6	151.9	171.2	80.2	0	0	0	0	111.2	L376 F377 A381 G382 F383	L376-S379 VanDerWaalsContact O-CB 3.29Å; L376-S379 WeakPolarHBondContact O-CB 3.41Å; L376-S379 PolarHBondContact O-N 3.23Å; L376-S379 VanDerWaalsContact O-N 3.09Å; L376-S379 PolarHBondContact O-OG 3.21Å; F377-S379 PolarHBondContact O-N 3.46Å; S379-A381 VanDerWaalsContact C-N 3.33Å; S379-A381 PolarHBondContact O-N 2.92Å; S379-G382 PolarHBondContact O-N 3.18Å; S379-G382 PolarHBondContact OG-N 3.21Å; S379-G382 VanDerWaalsContact OG-N 3.07Å; S379-F383 WeakPolarHBondContact O-CB 3.41Å; S379-F383 PolarHBondContact O-N 3.31Å
380	K	87.6	Confident	93.2	Very high	68 Å²	68	17.5 Å²	17.5	30%	0.296	10%	0.099	S	C	.	.	H	α-helix	trans	-55.1	-49.3	176.1	-171.2	173.3	-176.8	169	0	111.3	L333 G382 F383 H384 N427 E431	L333-K380 HydrophobicContact CD1-CB 4.36Å; K380-G382 PolarHBondContact O-N 3.5Å; K380-F383 PolarHBondContact O-N 2.8Å; K380-H384 WeakPolarHBondContact CE-NE2 3.16Å; K380-H384 PolarHBondContact O-CD2 3.06Å; K380-H384 PolarHBondContact O-N 2.87Å; K380-N427 HydrophobicContact CB-CB 4.48Å; K380-N427 WeakPolarHBondContact CB-ND2 3.46Å; K380-E431 WeakPolarHBondContact CE-OE1 3.29Å; K380-E431 IonicContact NZ-OE1 2.71Å; K380-E431 PolarHBondContact NZ-OE1 2.84Å
381	A	89.5	Confident	93.1	Very high	8 Å²	8	24.5 Å²	24.5	7%	0.066	13%	0.126	C	C	.	.	H	α-helix	trans	-56	-47.7	179	0	0	0	0	0	112.4	E344 I347 S379 A385	E344-A381 HydrophobicContact CB-CB 3.89Å; E344-A381 HydrophobicContact CG-CB 3.84Å; I347-A381 HydrophobicContact CB-CB 4.19Å; I347-A381 HydrophobicContact CD1-CB 3.86Å; I347-A381 HydrophobicContact CG2-CB 4.14Å; S379-A381 VanDerWaalsContact C-N 3.33Å; S379-A381 PolarHBondContact O-N 2.92Å; A381-A385 WeakPolarHBondContact O-CB 3.47Å; A381-A385 PolarHBondContact O-N 3.43Å
382	G	91.7	Very high	93.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.4	-40.9	178.5	0	0	0	0	0	113	L376 F377 S379 K380 A385 F386	L376-G382 WeakPolarHBondContact O-CA 3.44Å; F377-G382 WeakPolarHBondContact CD1-O 3.36Å; S379-G382 PolarHBondContact O-N 3.18Å; S379-G382 PolarHBondContact OG-N 3.21Å; S379-G382 VanDerWaalsContact OG-N 3.07Å; K380-G382 PolarHBondContact O-N 3.5Å; G382-A385 WeakPolarHBondContact O-CB 3.33Å; G382-A385 PolarHBondContact O-N 2.87Å; G382-F386 PolarHBondContact O-N 2.72Å
383	F	91.9	Very high	93	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-44.1	177.8	-170.6	-104	0	0	0	112.3	S379 K380 T421 L422 P425 Q434 E435 N438	S379-F383 WeakPolarHBondContact O-CB 3.41Å; S379-F383 PolarHBondContact O-N 3.31Å; K380-F383 PolarHBondContact O-N 2.8Å; F383-T421 WeakPolarHBondContact CE2-O 3.34Å; F383-L422 WeakPolarHBondContact CE2-O 3.34Å; F383-P425 HydrophobicContact CE1-CB 4.08Å; F383-P425 HydrophobicContact CE2-CB 4.12Å; F383-P425 HydrophobicContact CZ-CB 3.86Å; F383-P425 HydrophobicContact CZ-CG 4.32Å; F383-Q434 HydrophobicContact CD1-CG 3.63Å; F383-Q434 HydrophobicContact CE1-CB 4.12Å; F383-Q434 HydrophobicContact CE1-CG 3.54Å; F383-E435 HydrophobicContact CZ-CB 4.42Å; F383-N438 WeakPolarHBondContact CE2-ND2 3.01Å; F383-N438 WeakPolarHBondContact CZ-ND2 3.22Å; F383-N438 PolarHBondContact O-ND2 3.03Å
384	H	92.2	Very high	92.8	Very high	34 Å²	34	32.9 Å²	32.9	16%	0.157	16%	0.163	C	C	.	.	H	α-helix	trans	-74.1	-33.4	176.9	-77	-103.9	0	0	0	112.7	K380 F386 A387 N388 E431 Q434	K380-H384 WeakPolarHBondContact CE-NE2 3.16Å; K380-H384 PolarHBondContact O-CD2 3.06Å; K380-H384 PolarHBondContact O-N 2.87Å; H384-F386 PolarHBondContact O-N 3.48Å; H384-A387 PolarHBondContact O-N 2.9Å; H384-A387 VanDerWaalsContact O-N 3.12Å; H384-N388 PolarHBondContact O-N 3.37Å; H384-N388 PolarHBondContact O-ND2 3.48Å; H384-E431 IonicContact CE1-OE1 2.8Å; H384-E431 IonicContact CE1-OE2 3.43Å; H384-E431 PolarHBondContact CE1-OE2 3.43Å; H384-E431 VanDerWaalsContact CE1-OE2 3.24Å; H384-E431 IonicContact NE2-OE1 3.32Å; H384-E431 IonicContact NE2-OE2 2.88Å; H384-Q434 PolarHBondContact CE1-OE1 3.41Å; H384-Q434 PolarHBondContact ND1-OE1 3.28Å
385	A	93.4	Very high	92.8	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-56.3	-36.8	179.7	0	0	0	0	0	112.3	V348 A381 G382 A387 N388 I389 L392	V348-A385 HydrophobicContact CG2-CB 3.77Å; A381-A385 WeakPolarHBondContact O-CB 3.47Å; A381-A385 PolarHBondContact O-N 3.43Å; G382-A385 WeakPolarHBondContact O-CB 3.33Å; G382-A385 PolarHBondContact O-N 2.87Å; A385-A387 PolarHBondContact O-N 3.44Å; A385-N388 PolarHBondContact O-N 3.15Å; A385-I389 HydrophobicContact CB-CD1 4.09Å; A385-I389 VanDerWaalsContact O-CB 3.31Å; A385-I389 WeakPolarHBondContact O-CB 3.43Å; A385-I389 WeakPolarHBondContact O-CG1 3.36Å; A385-I389 PolarHBondContact O-N 2.93Å; A385-L392 HydrophobicContact CB-CD2 3.93Å
386	F	94.2	Very high	92.8	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-56.9	-50.2	176.4	178.9	-101.7	0	0	0	111.5	G382 H384 R393 L396 L422 N438 L441 L442	G382-F386 PolarHBondContact O-N 2.72Å; H384-F386 PolarHBondContact O-N 3.48Å; F386-R393 HydrophobicContact CD1-CG 4.48Å; F386-R393 HydrophobicContact CD2-CB 4.43Å; F386-R393 HydrophobicContact CD2-CG 3.65Å; F386-R393 HydrophobicContact CE1-CG 4.4Å; F386-R393 HydrophobicContact CE2-CB 3.98Å; F386-R393 HydrophobicContact CE2-CG 3.54Å; F386-R393 HydrophobicContact CG-CG 4.13Å; F386-R393 HydrophobicContact CZ-CB 4.47Å; F386-R393 HydrophobicContact CZ-CG 3.94Å; F386-R393 WeakPolarHBondContact O-CD 3.46Å; F386-R393 WeakPolarHBondContact O-CG 3.36Å; F386-R393 PolarHBondContact O-NH1 2.87Å; F386-L396 HydrophobicContact CD2-CD2 4.07Å; F386-L396 HydrophobicContact CE2-CD2 3.96Å; F386-L422 HydrophobicContact CB-CD1 4.47Å; F386-L422 HydrophobicContact CB-CD2 3.64Å; F386-L422 HydrophobicContact CD1-CD1 4.37Å; F386-L422 HydrophobicContact CD1-CD2 4.43Å; F386-L422 HydrophobicContact CD2-CD1 3.58Å; F386-L422 HydrophobicContact CD2-CD2 4.33Å; F386-L422 HydrophobicContact CE2-CD1 3.84Å; F386-L422 HydrophobicContact CG-CD1 3.89Å; F386-L422 HydrophobicContact CG-CD2 3.9Å; F386-L422 HydrophobicContact CG-CG 4.42Å; F386-L422 HydrophobicContact CZ-CD1 4.34Å; F386-N438 HydrophobicContact CD1-CB 4.16Å; F386-N438 HydrophobicContact CE1-CB 4.48Å; F386-L441 HydrophobicContact CE1-CB 4.01Å; F386-L442 HydrophobicContact CE1-CB 4.32Å; F386-L442 HydrophobicContact CE2-CD1 4.38Å; F386-L442 HydrophobicContact CZ-CB 4.24Å; F386-L442 HydrophobicContact CZ-CD1 3.78Å
387	A	92.1	Very high	92.7	Very high	8 Å²	8	37.4 Å²	37.4	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-69.2	-34.4	178.1	0	0	0	0	0	113.9	H384 A385 R393 Q437 N438 L441	H384-A387 PolarHBondContact O-N 2.9Å; H384-A387 VanDerWaalsContact O-N 3.12Å; A385-A387 PolarHBondContact O-N 3.44Å; A387-R393 PolarHBondContact O-NH1 2.8Å; A387-Q437 HydrophobicContact CB-CG 3.95Å; A387-N438 WeakPolarHBondContact CB-OD1 3.29Å; A387-L441 HydrophobicContact CB-CD1 3.86Å
388	N	93.9	Very high	92.5	Very high	111 Å²	111	40.9 Å²	40.9	59%	0.594	21%	0.206	S	C	*	.	H	α-helix	trans	-85.1	-24	-171.8	-66.7	-20.4	0	0	0	113.3	H384 A385	H384-N388 PolarHBondContact O-N 3.37Å; H384-N388 PolarHBondContact O-ND2 3.48Å; A385-N388 PolarHBondContact O-N 3.15Å
389	I	95.4	Very high	92.7	Very high	48 Å²	48	41.1 Å²	41.1	25%	0.246	21%	0.207	C	C	.	.			trans	-116.3	98.5	-171.9	-52.3	176.4	0	0	0	110.1	V348 M352 A385 R391 L392 R393	V348-I389 HydrophobicContact CB-CD1 4.44Å; V348-I389 HydrophobicContact CG1-CD1 3.27Å; V348-I389 HydrophobicContact CG2-CD1 4.31Å; M352-I389 HydrophobicContact SD-CG2 4.36Å; A385-I389 HydrophobicContact CB-CD1 4.09Å; A385-I389 VanDerWaalsContact O-CB 3.31Å; A385-I389 WeakPolarHBondContact O-CB 3.43Å; A385-I389 WeakPolarHBondContact O-CG1 3.36Å; A385-I389 PolarHBondContact O-N 2.93Å; I389-R391 VanDerWaalsContact C-N 3.3Å; I389-R391 HydrophobicContact CG2-CB 4.42Å; I389-R391 PolarHBondContact O-N 3.08Å; I389-L392 HydrophobicContact CB-CB 3.93Å; I389-L392 HydrophobicContact CG2-CB 3.83Å; I389-L392 WeakPolarHBondContact O-CB 3.44Å; I389-L392 PolarHBondContact O-N 2.92Å; I389-L392 VanDerWaalsContact O-N 3.14Å; I389-R393 PolarHBondContact O-N 3.14Å
390	A	94.7	Very high	92.8	Very high	60 Å²	60	41 Å²	41	50%	0.496	21%	0.206	S	C	.	.	H	α-helix	trans	-57.2	-41.5	-179.4	0	0	0	0	0	113.2	L392 R393 E394	A390-L392 VanDerWaalsContact C-N 3.32Å; A390-L392 PolarHBondContact O-N 2.85Å; A390-R393 PolarHBondContact O-N 2.75Å; A390-E394 PolarHBondContact O-N 3.36Å
391	R	95.4	Very high	92.8	Very high	146 Å²	146	39.7 Å²	39.7	55%	0.551	20%	0.202	S	C	*	.	H	α-helix	trans	-59.4	-40.6	177.6	-174.9	-177.9	169.9	161.4	-2.9	112.4	M352 E356 I389 E394 K395	M352-R391 HydrophobicContact CE-CG 3.9Å; E356-R391 IonicContact OE1-CZ 2.58Å; E356-R391 IonicContact OE1-NE 3.85Å; E356-R391 PolarHBondContact OE1-NE 3.1Å; E356-R391 IonicContact OE1-NH2 3.24Å; E356-R391 PolarHBondContact OE1-NH2 3.12Å; E356-R391 IonicContact OE2-NH2 3.69Å; I389-R391 VanDerWaalsContact C-N 3.3Å; I389-R391 HydrophobicContact CG2-CB 4.42Å; I389-R391 PolarHBondContact O-N 3.08Å; R391-E394 PolarHBondContact O-N 2.96Å; R391-K395 HydrophobicContact CG-CG 4.4Å; R391-K395 WeakPolarHBondContact O-CB 3.47Å; R391-K395 VanDerWaalsContact O-CG 3.29Å; R391-K395 WeakPolarHBondContact O-CG 3.45Å; R391-K395 PolarHBondContact O-N 2.98Å
392	L	95.4	Very high	92.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-45.9	177.4	177.1	59.5	0	0	0	110.5	A351 M352 V355 F377 A385 I389 A390 K395 L396	A351-L392 HydrophobicContact CB-CD1 4.28Å; M352-L392 HydrophobicContact SD-CB 3.69Å; M352-L392 HydrophobicContact SD-CD1 3.95Å; M352-L392 HydrophobicContact SD-CG 4.36Å; V355-L392 HydrophobicContact CG1-CD1 3.9Å; V355-L392 HydrophobicContact CG2-CD1 3.83Å; F377-L392 HydrophobicContact CE1-CD2 4.24Å; A385-L392 HydrophobicContact CB-CD2 3.93Å; I389-L392 HydrophobicContact CB-CB 3.93Å; I389-L392 HydrophobicContact CG2-CB 3.83Å; I389-L392 WeakPolarHBondContact O-CB 3.44Å; I389-L392 PolarHBondContact O-N 2.92Å; I389-L392 VanDerWaalsContact O-N 3.14Å; A390-L392 VanDerWaalsContact C-N 3.32Å; A390-L392 PolarHBondContact O-N 2.85Å; L392-K395 PolarHBondContact O-N 3.18Å; L392-L396 VanDerWaalsContact O-CB 3.23Å; L392-L396 WeakPolarHBondContact O-CB 3.39Å; L392-L396 PolarHBondContact O-N 3.23Å
393	R	93.6	Very high	92.8	Very high	61 Å²	61	41.5 Å²	41.5	23%	0.23	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-47.2	178	-59.4	-164.1	-69.9	-80	8.1	112.5	F386 A387 I389 A390 L396 G397	F386-R393 HydrophobicContact CD1-CG 4.48Å; F386-R393 HydrophobicContact CD2-CB 4.43Å; F386-R393 HydrophobicContact CD2-CG 3.65Å; F386-R393 HydrophobicContact CE1-CG 4.4Å; F386-R393 HydrophobicContact CE2-CB 3.98Å; F386-R393 HydrophobicContact CE2-CG 3.54Å; F386-R393 HydrophobicContact CG-CG 4.13Å; F386-R393 HydrophobicContact CZ-CB 4.47Å; F386-R393 HydrophobicContact CZ-CG 3.94Å; F386-R393 WeakPolarHBondContact O-CD 3.46Å; F386-R393 WeakPolarHBondContact O-CG 3.36Å; F386-R393 PolarHBondContact O-NH1 2.87Å; A387-R393 PolarHBondContact O-NH1 2.8Å; I389-R393 PolarHBondContact O-N 3.14Å; A390-R393 PolarHBondContact O-N 2.75Å; R393-L396 PolarHBondContact O-N 2.87Å; R393-G397 PolarHBondContact O-N 2.88Å
394	E	92.5	Very high	92.5	Very high	121 Å²	121	41.7 Å²	41.7	57%	0.565	22%	0.215	S	C	*	.	H	α-helix	trans	-61.9	-47	-179.6	-170.7	-164.4	152	0	0	111.1	A390 R391 G397 N398	A390-E394 PolarHBondContact O-N 3.36Å; R391-E394 PolarHBondContact O-N 2.96Å; E394-G397 PolarHBondContact O-N 3.01Å; E394-N398 PolarHBondContact O-N 3.38Å; E394-N398 PolarHBondContact O-ND2 2.62Å; E394-N398 VanDerWaalsContact O-ND2 3.13Å
395	K	94	Very high	92.2	Very high	78 Å²	78	46.6 Å²	46.6	34%	0.339	24%	0.236	S	C	.	.	H	α-helix	trans	-65.5	-41.9	177.9	-67.8	-63.3	-176.2	-173.3	0	112	V355 R391 L392 N398 M399	V355-K395 HydrophobicContact CB-CB 3.8Å; V355-K395 HydrophobicContact CG2-CB 3.59Å; V355-K395 HydrophobicContact CG2-CG 4.4Å; R391-K395 HydrophobicContact CG-CG 4.4Å; R391-K395 WeakPolarHBondContact O-CB 3.47Å; R391-K395 VanDerWaalsContact O-CG 3.29Å; R391-K395 WeakPolarHBondContact O-CG 3.45Å; R391-K395 PolarHBondContact O-N 2.98Å; L392-K395 PolarHBondContact O-N 3.18Å; K395-N398 PolarHBondContact O-N 2.75Å; K395-M399 VanDerWaalsContact O-CB 3.23Å; K395-M399 WeakPolarHBondContact O-CB 3.45Å; K395-M399 PolarHBondContact O-N 3.21Å
396	L	94.2	Very high	92	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-44.6	173.9	-178.7	62.9	0	0	0	111.6	V355 L373 F377 F386 L392 R393 N398 M399 V400 L419 L422	V355-L396 HydrophobicContact CG1-CB 4.23Å; V355-L396 HydrophobicContact CG1-CD1 4.32Å; L373-L396 HydrophobicContact CD1-CD1 4Å; F377-L396 HydrophobicContact CE2-CD1 4.47Å; F377-L396 HydrophobicContact CE2-CD2 3.89Å; F377-L396 HydrophobicContact CZ-CD2 4.05Å; F386-L396 HydrophobicContact CD2-CD2 4.07Å; F386-L396 HydrophobicContact CE2-CD2 3.96Å; L392-L396 VanDerWaalsContact O-CB 3.23Å; L392-L396 WeakPolarHBondContact O-CB 3.39Å; L392-L396 PolarHBondContact O-N 3.23Å; R393-L396 PolarHBondContact O-N 2.87Å; L396-N398 PolarHBondContact O-N 3.29Å; L396-M399 HydrophobicContact CD1-SD 4.4Å; L396-M399 WeakPolarHBondContact O-CB 3.36Å; L396-M399 PolarHBondContact O-N 2.96Å; L396-V400 HydrophobicContact CD1-CG2 4.36Å; L396-V400 VanDerWaalsContact O-CG2 3.29Å; L396-V400 WeakPolarHBondContact O-CG2 3.23Å; L396-V400 PolarHBondContact O-N 2.86Å; L396-L419 HydrophobicContact CD2-CD2 4.43Å; L396-L422 HydrophobicContact CD2-CD1 3.68Å
397	G	91.4	Very high	91.5	Very high	20 Å²	20	54.4 Å²	54.4	21%	0.206	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-44.7	176.9	0	0	0	0	0	112.4	R393 E394 V400 I401	R393-G397 PolarHBondContact O-N 2.88Å; E394-G397 PolarHBondContact O-N 3.01Å; G397-V400 PolarHBondContact O-N 2.79Å; G397-I401 WeakPolarHBondContact O-CG1 3.38Å; G397-I401 PolarHBondContact O-N 2.83Å
398	N	90.8	Very high	91.3	Very high	73 Å²	73	55.2 Å²	55.2	39%	0.39	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-42.8	175	-72.7	-36	0	0	0	112.1	E394 K395 L396 I401 C402	E394-N398 PolarHBondContact O-N 3.38Å; E394-N398 PolarHBondContact O-ND2 2.62Å; E394-N398 VanDerWaalsContact O-ND2 3.13Å; K395-N398 PolarHBondContact O-N 2.75Å; L396-N398 PolarHBondContact O-N 3.29Å; N398-I401 PolarHBondContact O-N 3.19Å; N398-C402 VanDerWaalsContact O-CB 3.3Å; N398-C402 WeakPolarHBondContact O-CB 3.43Å; N398-C402 PolarHBondContact O-N 2.94Å; N398-C402 PolarHBondContact O-SG 2.84Å; N398-C402 VanDerWaalsContact O-SG 3.34Å
399	M	93.2	Very high	91	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-50.2	176.4	-172.7	-170.2	162.8	0	0	110.9	V355 W366 M369 Y370 L373 K395 L396 C402 S403	V355-M399 HydrophobicContact CG1-SD 4.25Å; W366-M399 HydrophobicContact CE3-CE 3.94Å; W366-M399 HydrophobicContact CE3-CG 4.43Å; W366-M399 HydrophobicContact CH2-CG 4.01Å; W366-M399 HydrophobicContact CZ3-CE 3.72Å; W366-M399 HydrophobicContact CZ3-CG 3.4Å; W366-M399 HydrophobicContact CZ3-SD 4.4Å; M369-M399 HydrophobicContact CB-CE 3.54Å; M369-M399 HydrophobicContact CG-CE 4.46Å; M369-M399 HydrophobicContact SD-CE 4.13Å; Y370-M399 HydrophobicContact CD1-CE 3.86Å; Y370-M399 HydrophobicContact CD2-CE 4.37Å; Y370-M399 HydrophobicContact CE1-CE 3.53Å; Y370-M399 HydrophobicContact CE1-CG 4.5Å; Y370-M399 HydrophobicContact CE1-SD 4.12Å; Y370-M399 HydrophobicContact CE2-CE 4.1Å; Y370-M399 HydrophobicContact CG-CE 4.25Å; Y370-M399 PolarHBondContact OH-O 3.35Å; L373-M399 HydrophobicContact CD1-CE 3.93Å; L373-M399 HydrophobicContact CD1-SD 3.74Å; K395-M399 VanDerWaalsContact O-CB 3.23Å; K395-M399 WeakPolarHBondContact O-CB 3.45Å; K395-M399 PolarHBondContact O-N 3.21Å; L396-M399 HydrophobicContact CD1-SD 4.4Å; L396-M399 WeakPolarHBondContact O-CB 3.36Å; L396-M399 PolarHBondContact O-N 2.96Å; M399-C402 PolarHBondContact O-N 2.99Å; M399-S403 WeakPolarHBondContact O-CB 3.2Å; M399-S403 PolarHBondContact O-N 2.99Å; M399-S403 PolarHBondContact O-OG 2.79Å
400	V	90.8	Very high	90.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-55.6	176.7	171.4	0	0	0	0	110.7	Y370 L396 G397 C402 S403 L404 L419 F448 M452	Y370-V400 HydrophobicContact CE1-CG2 4.16Å; Y370-V400 VanDerWaalsContact OH-CA 3.27Å; Y370-V400 WeakPolarHBondContact OH-CA 3.34Å; Y370-V400 PolarHBondContact OH-N 2.79Å; L396-V400 HydrophobicContact CD1-CG2 4.36Å; L396-V400 VanDerWaalsContact O-CG2 3.29Å; L396-V400 WeakPolarHBondContact O-CG2 3.23Å; L396-V400 PolarHBondContact O-N 2.86Å; G397-V400 PolarHBondContact O-N 2.79Å; V400-C402 VanDerWaalsContact C-N 3.29Å; V400-C402 PolarHBondContact O-N 2.82Å; V400-S403 PolarHBondContact O-N 3.16Å; V400-S403 PolarHBondContact O-OG 3.28Å; V400-L404 HydrophobicContact CG1-CD1 3.38Å; V400-L404 HydrophobicContact CG1-CG 4.25Å; V400-L404 WeakPolarHBondContact O-CB 3.23Å; V400-L404 WeakPolarHBondContact O-CD1 3.42Å; V400-L404 WeakPolarHBondContact O-CG 3.48Å; V400-L404 PolarHBondContact O-N 3.23Å; V400-L419 HydrophobicContact CG1-CD1 4.3Å; V400-L419 HydrophobicContact CG2-CD1 4.49Å; V400-L419 HydrophobicContact CG2-CD2 4.13Å; V400-F448 HydrophobicContact CB-CE2 4.24Å; V400-F448 HydrophobicContact CG1-CE2 3.76Å; V400-F448 HydrophobicContact CG1-CZ 4.03Å; V400-M452 HydrophobicContact CG1-CE 4.01Å; V400-M452 HydrophobicContact CG1-SD 4.34Å
401	I	88.5	Confident	90.6	Very high	41 Å²	41	47 Å²	47	21%	0.21	23%	0.228	C	C	.	.	H	α-helix	trans	-58.1	-40.7	-179.4	-66.9	167.1	0	0	0	112.1	G397 N398 K405 F448	G397-I401 WeakPolarHBondContact O-CG1 3.38Å; G397-I401 PolarHBondContact O-N 2.83Å; N398-I401 PolarHBondContact O-N 3.19Å; I401-K405 WeakPolarHBondContact O-CG 3.47Å; I401-F448 HydrophobicContact CD1-CD2 4.25Å; I401-F448 HydrophobicContact CG1-CD2 4.18Å; I401-F448 HydrophobicContact CG1-CE2 4.46Å
402	C	90.7	Very high	90.3	Very high	47 Å²	47	40 Å²	40	32%	0.318	20%	0.202	S	C	.	.	H	α-helix	trans	-67.8	-46	179	-77.3	0	0	0	0	112	T359 W366 N398 M399 V400 K405	T359-C402 HydrophobicContact CG2-CB 3.85Å; W366-C402 HydrophobicContact CH2-CB 4.48Å; N398-C402 VanDerWaalsContact O-CB 3.3Å; N398-C402 WeakPolarHBondContact O-CB 3.43Å; N398-C402 PolarHBondContact O-N 2.94Å; N398-C402 PolarHBondContact O-SG 2.84Å; N398-C402 VanDerWaalsContact O-SG 3.34Å; M399-C402 PolarHBondContact O-N 2.99Å; V400-C402 VanDerWaalsContact C-N 3.29Å; V400-C402 PolarHBondContact O-N 2.82Å; C402-K405 PolarHBondContact O-N 2.74Å
403	S	91	Very high	90	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-36.9	-177.9	68.9	0	0	0	0	113	Y370 M399 V400 K405 L406	Y370-S403 WeakPolarHBondContact OH-CB 3.3Å; Y370-S403 PolarHBondContact OH-OG 3.16Å; M399-S403 WeakPolarHBondContact O-CB 3.2Å; M399-S403 PolarHBondContact O-N 2.99Å; M399-S403 PolarHBondContact O-OG 2.79Å; V400-S403 PolarHBondContact O-N 3.16Å; V400-S403 PolarHBondContact O-OG 3.28Å; S403-K405 PolarHBondContact O-N 3.16Å; S403-L406 WeakPolarHBondContact O-CB 3.27Å; S403-L406 WeakPolarHBondContact O-CG 3.28Å; S403-L406 PolarHBondContact O-N 3.34Å
404	L	85.8	Confident	89.9	Confident	8 Å²	8	37.3 Å²	37.3	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-68.3	-22	-178.6	-67.8	165.5	0	0	0	113	V400 L406 N407 D412 M452 I455	V400-L404 HydrophobicContact CG1-CD1 3.38Å; V400-L404 HydrophobicContact CG1-CG 4.25Å; V400-L404 WeakPolarHBondContact O-CB 3.23Å; V400-L404 WeakPolarHBondContact O-CD1 3.42Å; V400-L404 WeakPolarHBondContact O-CG 3.48Å; V400-L404 PolarHBondContact O-N 3.23Å; L404-L406 PolarHBondContact O-N 2.86Å; L404-N407 PolarHBondContact O-N 3.42Å; L404-D412 HydrophobicContact CD2-CB 4.05Å; L404-D412 VanDerWaalsContact CD2-OD1 3.22Å; L404-D412 WeakPolarHBondContact CD2-OD1 3.32Å; L404-M452 HydrophobicContact CD1-CE 3.19Å; L404-M452 HydrophobicContact CD1-SD 4.1Å; L404-I455 HydrophobicContact CB-CD1 3.57Å; L404-I455 HydrophobicContact CD1-CD1 3.49Å; L404-I455 VanDerWaalsContact CD1-CD1 3.49Å; L404-I455 HydrophobicContact CD2-CD1 4.05Å; L404-I455 HydrophobicContact CG-CD1 3.87Å
405	K	86.2	Confident	89.9	Confident	137 Å²	137	31.5 Å²	31.5	60%	0.596	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.6	172.2	-69	173.7	-177.4	178.7	0	113.1	I401 C402 S403 N407	I401-K405 WeakPolarHBondContact O-CG 3.47Å; C402-K405 PolarHBondContact O-N 2.74Å; S403-K405 PolarHBondContact O-N 3.16Å; K405-N407 PolarHBondContact O-N 3.07Å
406	L	88.2	Confident	89.6	Confident	80 Å²	80	27.8 Å²	27.8	42%	0.419	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.9	176.1	-62.3	174.9	0	0	0	112.4	W366 S403 L404 N408	W366-L406 HydrophobicContact CG-CD1 4.15Å; S403-L406 WeakPolarHBondContact O-CB 3.27Å; S403-L406 WeakPolarHBondContact O-CG 3.28Å; S403-L406 PolarHBondContact O-N 3.34Å; L404-L406 PolarHBondContact O-N 2.86Å; L406-N408 HydrophobicContact CB-CB 4.32Å; L406-N408 PolarHBondContact O-N 3Å
407	N	84.5	Confident	89.3	Confident	94 Å²	94	28 Å²	28	50%	0.503	15%	0.15	S	C	.	.			trans	50.8	40.7	-174	-58.5	-55.7	0	0	0	111.9	L404 K405 W458	L404-N407 PolarHBondContact O-N 3.42Å; K405-N407 PolarHBondContact O-N 3.07Å; N407-W458 HydrophobicContact CB-CH2 4.11Å; N407-W458 HydrophobicContact CB-CZ2 3.98Å
408	N	88	Confident	89.4	Confident	24 Å²	24	27.1 Å²	27.1	13%	0.128	14%	0.14	C	C	.	.			trans	-107.1	119.6	178.7	-179.4	-76.4	0	0	0	109.5	E229 M275 L406 A410 V411 D412	E229-N408 PolarHBondContact OE2-ND2 2.6Å; M275-N408 WeakPolarHBondContact CE-OD1 3.33Å; L406-N408 HydrophobicContact CB-CB 4.32Å; L406-N408 PolarHBondContact O-N 3Å; N408-A410 VanDerWaalsContact C-N 3.33Å; N408-A410 PolarHBondContact O-N 2.9Å; N408-A410 PolarHBondContact OD1-N 2.98Å; N408-A410 VanDerWaalsContact OD1-N 3.14Å; N408-V411 HydrophobicContact CB-CB 4.16Å; N408-V411 HydrophobicContact CB-CG2 4.04Å; N408-V411 PolarHBondContact O-N 3.37Å; N408-V411 PolarHBondContact OD1-N 2.95Å; N408-D412 WeakPolarHBondContact O-CB 3.26Å; N408-D412 PolarHBondContact O-N 2.89Å
409	E	86.2	Confident	89.4	Confident	40 Å²	40	23.8 Å²	23.8	19%	0.187	12%	0.122	C	C	.	.	H	α-helix	trans	-65.5	-33.8	-169.1	-59.7	172.5	151.3	0	0	113.4	R227 H413	R227-E409 IonicContact CZ-OE2 2.71Å; R227-E409 IonicContact NH1-OE2 3.7Å; R227-E409 PolarHBondContact NH1-OE2 2.91Å; R227-E409 IonicContact NH2-OE2 3.57Å; R227-E409 PolarHBondContact NH2-OE2 3.28Å; E409-H413 WeakPolarHBondContact O-CB 3.37Å; E409-H413 PolarHBondContact O-N 2.83Å
410	A	90.3	Very high	89.2	Confident	6 Å²	6	24 Å²	24	5%	0.05	12%	0.124	C	C	.	.	H	α-helix	trans	-76.4	-36.8	178.4	0	0	0	0	0	111.9	M275 N408 H413 A414	M275-A410 HydrophobicContact CE-CB 3.33Å; M275-A410 HydrophobicContact CG-CB 3.53Å; M275-A410 HydrophobicContact SD-CB 4.28Å; N408-A410 VanDerWaalsContact C-N 3.33Å; N408-A410 PolarHBondContact O-N 2.9Å; N408-A410 PolarHBondContact OD1-N 2.98Å; N408-A410 VanDerWaalsContact OD1-N 3.14Å; A410-H413 PolarHBondContact O-N 2.99Å; A410-A414 WeakPolarHBondContact O-CB 3.47Å; A410-A414 PolarHBondContact O-N 2.77Å
411	V	92.3	Very high	89.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-46.6	170.1	176.7	0	0	0	0	110.7	M275 P363 W366 Y370 N408 H413 A414 A415	M275-V411 HydrophobicContact CE-CG2 3.78Å; P363-V411 HydrophobicContact CB-CG2 3.9Å; P363-V411 WeakPolarHBondContact O-CG2 3.35Å; W366-V411 HydrophobicContact CB-CG1 3.93Å; W366-V411 HydrophobicContact CB-CG2 3.8Å; W366-V411 HydrophobicContact CG-CG1 4.36Å; Y370-V411 HydrophobicContact CD2-CG1 4.48Å; Y370-V411 HydrophobicContact CE2-CG1 4.04Å; N408-V411 HydrophobicContact CB-CB 4.16Å; N408-V411 HydrophobicContact CB-CG2 4.04Å; N408-V411 PolarHBondContact O-N 3.37Å; N408-V411 PolarHBondContact OD1-N 2.95Å; V411-H413 VanDerWaalsContact C-N 3.35Å; V411-H413 PolarHBondContact O-N 2.84Å; V411-A414 PolarHBondContact O-N 2.8Å; V411-A415 WeakPolarHBondContact O-CB 3.46Å; V411-A415 PolarHBondContact O-N 2.83Å
412	D	88.9	Confident	89.2	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-58.5	-48.5	177.7	-65.2	-8.2	0	0	0	110.3	L404 N408 A414 A415 I416 H459	L404-D412 HydrophobicContact CD2-CB 4.05Å; L404-D412 VanDerWaalsContact CD2-OD1 3.22Å; L404-D412 WeakPolarHBondContact CD2-OD1 3.32Å; N408-D412 WeakPolarHBondContact O-CB 3.26Å; N408-D412 PolarHBondContact O-N 2.89Å; D412-A414 PolarHBondContact O-N 2.78Å; D412-A415 PolarHBondContact O-N 3.14Å; D412-I416 WeakPolarHBondContact O-CB 3.45Å; D412-I416 WeakPolarHBondContact O-CG1 3.33Å; D412-I416 PolarHBondContact O-N 3.17Å; D412-H459 IonicContact OD2-CD2 3.89Å; D412-H459 IonicContact OD2-CE1 3.99Å; D412-H459 PolarHBondContact OD2-CE1 3.4Å; D412-H459 IonicContact OD2-NE2 2.71Å; D412-H459 PolarHBondContact OD2-NE2 2.78Å
413	H	88	Confident	89	Confident	3 Å²	3	20.1 Å²	20.1	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-58.4	-48.9	177	178.9	77.7	0	0	0	112.6	E409 A410 V411 A415 I416 E417 F468 S472	E409-H413 WeakPolarHBondContact O-CB 3.37Å; E409-H413 PolarHBondContact O-N 2.83Å; A410-H413 PolarHBondContact O-N 2.99Å; V411-H413 VanDerWaalsContact C-N 3.35Å; V411-H413 PolarHBondContact O-N 2.84Å; H413-A415 VanDerWaalsContact C-N 3.31Å; H413-A415 PolarHBondContact O-N 3.49Å; H413-I416 PolarHBondContact O-N 3.39Å; H413-E417 WeakPolarHBondContact NE2-CG 3.23Å; H413-E417 PolarHBondContact O-N 2.84Å; H413-F468 HydrophobicContact CB-CD1 4Å; H413-F468 HydrophobicContact CB-CE1 4.01Å; H413-F468 AromaticContact CD2-CE1 3.21Å; H413-F468 WeakPolarHBondContact CD2-CE1 3.31Å; H413-F468 AromaticContact CD2-CZ 3.89Å; H413-F468 AromaticContact CE1-CD1 3.87Å; H413-F468 AromaticContact CE1-CE1 3.14Å; H413-F468 WeakPolarHBondContact CE1-CE1 3.47Å; H413-F468 AromaticContact CE1-CZ 3.27Å; H413-F468 WeakPolarHBondContact CE1-CZ 3.18Å; H413-F468 AromaticContact CG-CD1 3.57Å; H413-F468 AromaticContact CG-CE1 3.18Å; H413-F468 AromaticContact ND1-CD1 3.46Å; H413-F468 WeakPolarHBondContact ND1-CD1 3.48Å; H413-F468 AromaticContact ND1-CE1 3.16Å; H413-F468 WeakPolarHBondContact ND1-CE1 3.15Å; H413-F468 AromaticContact ND1-CZ 3.77Å; H413-F468 AromaticContact NE2-CE1 3.15Å; H413-F468 WeakPolarHBondContact NE2-CE1 3.5Å; H413-F468 AromaticContact NE2-CZ 3.31Å; H413-F468 VanDerWaalsContact NE2-CZ 3.31Å; H413-F468 WeakPolarHBondContact NE2-CZ 3.26Å; H413-S472 PolarHBondContact CE1-OG 2.9Å; H413-S472 VanDerWaalsContact CE1-OG 3.24Å
414	A	92.6	Very high	88.7	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63	-38.7	-178.7	0	0	0	0	0	111.8	E367 Y370 A410 V411 D412 T418	E367-A414 HydrophobicContact CG-CB 4.27Å; Y370-A414 HydrophobicContact CD2-CB 4.29Å; Y370-A414 HydrophobicContact CG-CB 4.31Å; A410-A414 WeakPolarHBondContact O-CB 3.47Å; A410-A414 PolarHBondContact O-N 2.77Å; V411-A414 PolarHBondContact O-N 2.8Å; D412-A414 PolarHBondContact O-N 2.78Å; A414-T418 WeakPolarHBondContact O-CB 3.22Å; A414-T418 PolarHBondContact O-N 2.84Å; A414-T418 PolarHBondContact O-OG1 2.82Å
415	A	91.8	Very high	88.5	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.5	-50.9	173.7	0	0	0	0	0	111	Y370 V411 D412 H413 E417 T418 L419	Y370-A415 HydrophobicContact CD1-CB 4.21Å; Y370-A415 HydrophobicContact CD2-CB 4.12Å; Y370-A415 HydrophobicContact CE1-CB 3.86Å; Y370-A415 HydrophobicContact CE2-CB 3.74Å; Y370-A415 HydrophobicContact CG-CB 4.35Å; V411-A415 WeakPolarHBondContact O-CB 3.46Å; V411-A415 PolarHBondContact O-N 2.83Å; D412-A415 PolarHBondContact O-N 3.14Å; H413-A415 VanDerWaalsContact C-N 3.31Å; H413-A415 PolarHBondContact O-N 3.49Å; A415-E417 PolarHBondContact O-N 3.47Å; A415-T418 WeakPolarHBondContact O-CB 3.37Å; A415-T418 PolarHBondContact O-N 3.16Å; A415-T418 VanDerWaalsContact O-N 3.15Å; A415-L419 WeakPolarHBondContact O-CG 3.22Å; A415-L419 PolarHBondContact O-N 3.23Å
416	I	88.2	Confident	88	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.3	-42.9	-179.6	-65.8	-59.8	0	0	0	111.6	D412 H413 T418 L419 C420 M452 S472 F473 I476	D412-I416 WeakPolarHBondContact O-CB 3.45Å; D412-I416 WeakPolarHBondContact O-CG1 3.33Å; D412-I416 PolarHBondContact O-N 3.17Å; H413-I416 PolarHBondContact O-N 3.39Å; I416-T418 VanDerWaalsContact C-N 3.3Å; I416-T418 PolarHBondContact O-N 3.02Å; I416-L419 HydrophobicContact CD1-CD1 4.41Å; I416-L419 PolarHBondContact O-N 3.22Å; I416-C420 PolarHBondContact O-N 3.14Å; I416-C420 PolarHBondContact O-SG 3.43Å; I416-C420 VanDerWaalsContact O-SG 3.33Å; I416-M452 HydrophobicContact CD1-SD 4.1Å; I416-S472 VanDerWaalsContact CG2-CB 3.45Å; I416-F473 HydrophobicContact CD1-CD1 4.42Å; I416-F473 HydrophobicContact CD1-CE1 3.62Å; I416-F473 HydrophobicContact CD1-CZ 3.79Å; I416-F473 HydrophobicContact CG1-CE1 4.01Å; I416-F473 HydrophobicContact CG1-CE2 4.3Å; I416-F473 HydrophobicContact CG1-CZ 3.77Å; I416-F473 HydrophobicContact CG2-CD1 4.48Å; I416-I476 HydrophobicContact CD1-CD1 4.04Å; I416-I476 HydrophobicContact CG2-CD1 3.66Å; I416-I476 HydrophobicContact CG2-CG1 4.22Å
417	E	88.8	Confident	87.2	Confident	7 Å²	7	19.9 Å²	19.9	3%	0.033	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-37.4	174.7	-77	-76	115.7	0	0	112.5	R264 H413 A415 C420 T421 S472	R264-E417 IonicContact CZ-OE2 3.94Å; R264-E417 IonicContact NH1-OE1 2.78Å; R264-E417 PolarHBondContact NH1-OE1 2.87Å; R264-E417 IonicContact NH1-OE2 3.55Å; R264-E417 PolarHBondContact NH1-OE2 2.96Å; R264-E417 IonicContact NH2-OE2 3.1Å; R264-E417 PolarHBondContact NH2-OE2 3.35Å; H413-E417 WeakPolarHBondContact NE2-CG 3.23Å; H413-E417 PolarHBondContact O-N 2.84Å; A415-E417 PolarHBondContact O-N 3.47Å; E417-C420 PolarHBondContact O-N 3.35Å; E417-T421 PolarHBondContact O-N 3.38Å; E417-T421 VanDerWaalsContact O-N 3.08Å; E417-T421 PolarHBondContact O-OG1 3.48Å; E417-S472 WeakPolarHBondContact OE1-CB 3.31Å; E417-S472 PolarHBondContact OE1-OG 3.34Å
418	T	92.7	Very high	86.4	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-44.4	175.3	-57.3	0	0	0	0	110.7	Y370 L373 F377 A414 A415 I416 T421	Y370-T418 HydrophobicContact CD1-CG2 4.37Å; Y370-T418 PolarHBondContact O-OG1 3.33Å; L373-T418 HydrophobicContact CB-CG2 3.82Å; F377-T418 HydrophobicContact CD2-CG2 3.72Å; F377-T418 HydrophobicContact CE2-CG2 3.78Å; A414-T418 WeakPolarHBondContact O-CB 3.22Å; A414-T418 PolarHBondContact O-N 2.84Å; A414-T418 PolarHBondContact O-OG1 2.82Å; A415-T418 WeakPolarHBondContact O-CB 3.37Å; A415-T418 PolarHBondContact O-N 3.16Å; A415-T418 VanDerWaalsContact O-N 3.15Å; I416-T418 VanDerWaalsContact C-N 3.3Å; I416-T418 PolarHBondContact O-N 3.02Å; T418-T421 WeakPolarHBondContact O-CB 3.44Å; T418-T421 PolarHBondContact O-N 3Å
419	L	91.3	Very high	85.6	Confident	4 Å²	4	20.1 Å²	20.1	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-66.7	-40.2	176.8	-59.1	174.4	0	0	0	112.1	L396 V400 A415 I416 T421 L422 M423 L442 F448 M452	L396-L419 HydrophobicContact CD2-CD2 4.43Å; V400-L419 HydrophobicContact CG1-CD1 4.3Å; V400-L419 HydrophobicContact CG2-CD1 4.49Å; V400-L419 HydrophobicContact CG2-CD2 4.13Å; A415-L419 WeakPolarHBondContact O-CG 3.22Å; A415-L419 PolarHBondContact O-N 3.23Å; I416-L419 HydrophobicContact CD1-CD1 4.41Å; I416-L419 PolarHBondContact O-N 3.22Å; L419-T421 PolarHBondContact O-N 3.47Å; L419-L422 WeakPolarHBondContact O-CB 3.46Å; L419-L422 PolarHBondContact O-N 2.91Å; L419-M423 PolarHBondContact O-N 3.48Å; L419-L442 HydrophobicContact CB-CD2 4.28Å; L419-L442 HydrophobicContact CD2-CD1 3.8Å; L419-F448 HydrophobicContact CD1-CZ 4.04Å; L419-M452 HydrophobicContact CD1-SD 4.3Å
420	C	88	Confident	85.1	Confident	11 Å²	11	24.5 Å²	24.5	7%	0.074	15%	0.152	C	C	.	.	H	α-helix	trans	-57.5	-37	174.3	-75.1	0	0	0	0	112.3	I416 E417 L422 M423 Q424 I476	I416-C420 PolarHBondContact O-N 3.14Å; I416-C420 PolarHBondContact O-SG 3.43Å; I416-C420 VanDerWaalsContact O-SG 3.33Å; E417-C420 PolarHBondContact O-N 3.35Å; C420-L422 PolarHBondContact O-N 3.02Å; C420-M423 PolarHBondContact O-N 2.91Å; C420-Q424 PolarHBondContact O-N 3.5Å; C420-I476 VanDerWaalsContact SG-CG1 3.58Å
421	T	89.1	Confident	84.8	Confident	6 Å²	6	27.8 Å²	27.8	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-65.5	-26	177.8	-55.1	0	0	0	0	112.4	R374 F377 A378 F383 E417 T418 L419 M426	R374-T421 WeakPolarHBondContact CG-OG1 3.37Å; F377-T421 HydrophobicContact CB-CG2 4.01Å; A378-T421 HydrophobicContact CB-CG2 4.15Å; F383-T421 WeakPolarHBondContact CE2-O 3.34Å; E417-T421 PolarHBondContact O-N 3.38Å; E417-T421 VanDerWaalsContact O-N 3.08Å; E417-T421 PolarHBondContact O-OG1 3.48Å; T418-T421 WeakPolarHBondContact O-CB 3.44Å; T418-T421 PolarHBondContact O-N 3Å; L419-T421 PolarHBondContact O-N 3.47Å; T421-M426 HydrophobicContact CG2-CG 4.23Å; T421-M426 HydrophobicContact CG2-SD 3.95Å
422	L	91.1	Very high	84.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-80.8	-19.8	173.6	-67.1	171.4	0	0	0	113	F377 F383 F386 L396 L419 C420 N438	F377-L422 HydrophobicContact CB-CD2 3.93Å; F377-L422 HydrophobicContact CB-CG 4.48Å; F377-L422 HydrophobicContact CD1-CD2 3.95Å; F377-L422 HydrophobicContact CD2-CD1 4.07Å; F377-L422 HydrophobicContact CD2-CD2 3.82Å; F377-L422 HydrophobicContact CD2-CG 3.88Å; F377-L422 HydrophobicContact CE1-CD2 4.41Å; F377-L422 HydrophobicContact CE2-CD1 3.97Å; F377-L422 HydrophobicContact CE2-CD2 4.29Å; F377-L422 HydrophobicContact CE2-CG 4.3Å; F377-L422 HydrophobicContact CG-CD2 3.64Å; F377-L422 HydrophobicContact CG-CG 4.2Å; F383-L422 WeakPolarHBondContact CE2-O 3.34Å; F386-L422 HydrophobicContact CB-CD1 4.47Å; F386-L422 HydrophobicContact CB-CD2 3.64Å; F386-L422 HydrophobicContact CD1-CD1 4.37Å; F386-L422 HydrophobicContact CD1-CD2 4.43Å; F386-L422 HydrophobicContact CD2-CD1 3.58Å; F386-L422 HydrophobicContact CD2-CD2 4.33Å; F386-L422 HydrophobicContact CE2-CD1 3.84Å; F386-L422 HydrophobicContact CG-CD1 3.89Å; F386-L422 HydrophobicContact CG-CD2 3.9Å; F386-L422 HydrophobicContact CG-CG 4.42Å; F386-L422 HydrophobicContact CZ-CD1 4.34Å; L396-L422 HydrophobicContact CD2-CD1 3.68Å; L419-L422 WeakPolarHBondContact O-CB 3.46Å; L419-L422 PolarHBondContact O-N 2.91Å; C420-L422 PolarHBondContact O-N 3.02Å; L422-N438 WeakPolarHBondContact O-CB 3.38Å; L422-N438 PolarHBondContact O-ND2 2.9Å; L422-N438 VanDerWaalsContact O-ND2 3.17Å
423	M	87	Confident	84.7	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-95.3	-19.8	179.3	-64.8	-171.5	-73.4	0	0	113.7	L419 C420 E435 K439 L442 L443 I476 L479	L419-M423 PolarHBondContact O-N 3.48Å; C420-M423 PolarHBondContact O-N 2.91Å; M423-E435 WeakPolarHBondContact O-CG 3.49Å; M423-K439 HydrophobicContact CB-CG 4.17Å; M423-K439 HydrophobicContact CG-CG 4.19Å; M423-K439 WeakPolarHBondContact O-CE 3.25Å; M423-L442 HydrophobicContact CE-CD2 4.12Å; M423-L442 HydrophobicContact CG-CD2 3.54Å; M423-L442 HydrophobicContact SD-CD2 3.57Å; M423-L442 VanDerWaalsContact SD-CD2 3.57Å; M423-L443 HydrophobicContact SD-CD1 4.48Å; M423-I476 HydrophobicContact CE-CB 4.4Å; M423-I476 HydrophobicContact CE-CD1 4.06Å; M423-I476 HydrophobicContact CE-CG1 3.75Å; M423-I476 HydrophobicContact CE-CG2 4.49Å; M423-L479 HydrophobicContact CB-CD1 3.81Å; M423-L479 HydrophobicContact CB-CD2 4.45Å; M423-L479 HydrophobicContact CE-CD1 3.84Å; M423-L479 HydrophobicContact CG-CD1 4.46Å; M423-L479 HydrophobicContact SD-CB 4.36Å; M423-L479 HydrophobicContact SD-CD1 3.83Å; M423-L479 HydrophobicContact SD-CG 4.49Å
424	Q	84.2	Confident	84.8	Confident	113 Å²	113	40.8 Å²	40.8	53%	0.528	23%	0.226	S	C	.	.	S	Bend	trans	-130.8	110.8	176.7	-174.4	178.6	3.1	0	0	108.9	C420 M426	C420-Q424 PolarHBondContact O-N 3.5Å; Q424-M426 PolarHBondContact O-N 3.24Å
425	P	80.4	Confident	84.7	Confident	21 Å²	21	41.9 Å²	41.9	14%	0.136	23%	0.231	C	C	.	.			trans	-61.1	138.3	179.6	25.8	-33.5	0	0	0	110.7	F383 F430 E435	F383-P425 HydrophobicContact CE1-CB 4.08Å; F383-P425 HydrophobicContact CE2-CB 4.12Å; F383-P425 HydrophobicContact CZ-CB 3.86Å; F383-P425 HydrophobicContact CZ-CG 4.32Å; P425-F430 HydrophobicContact CG-CD2 3.6Å; P425-F430 HydrophobicContact CG-CE2 3.81Å; P425-E435 VanDerWaalsContact CD-OE2 3.23Å; P425-E435 WeakPolarHBondContact CD-OE2 3.38Å
426	M	76.4	Confident	84.7	Confident	59 Å²	59	47 Å²	47	29%	0.291	26%	0.256	S	S	.	.			trans	-109.8	-12.6	179.2	-60.2	-162.6	65.1	0	0	113	V269 R374 A378 T421 Q424	V269-M426 HydrophobicContact CB-CE 3.84Å; V269-M426 HydrophobicContact CG1-CE 4Å; R374-M426 PolarHBondContact NH1-SD 2.85Å; R374-M426 PolarHBondContact NH2-SD 3.36Å; R374-M426 VanDerWaalsContact NH2-SD 3.44Å; A378-M426 HydrophobicContact CB-CB 4.05Å; A378-M426 HydrophobicContact CB-SD 4.34Å; T421-M426 HydrophobicContact CG2-CG 4.23Å; T421-M426 HydrophobicContact CG2-SD 3.95Å; Q424-M426 PolarHBondContact O-N 3.24Å
427	N	72.3	Confident	84.9	Confident	27 Å²	27	51 Å²	51	14%	0.144	27%	0.274	C	S	.	.	S	Bend	trans	-80.9	159.3	177.5	57.6	-60.5	0	0	0	112	A378 K380	A378-N427 WeakPolarHBondContact O-CB 3.36Å; K380-N427 HydrophobicContact CB-CB 4.48Å; K380-N427 WeakPolarHBondContact CB-ND2 3.46Å
428	G	67.4	Low	85.1	Confident	70 Å²	70	50.7 Å²	50.7	72%	0.722	27%	0.273	S	S	*	.	S	Bend	trans	-62.5	147.8	166.5	0	0	0	0	0	111.7
429	G	70.7	Confident	85	Confident	53 Å²	53	52.3 Å²	52.3	55%	0.546	28%	0.28	S	S	.	.	S	Bend	trans	84.2	73.9	-178.9	0	0	0	0	0	112.8	E431	G429-E431 PolarHBondContact O-N 2.83Å
430	F	76.4	Confident	84.9	Confident	132 Å²	132	55.8 Å²	55.8	58%	0.579	30%	0.304	S	S	*	.			trans	-61.8	114.8	178.9	179	-102.9	0	0	0	111.9	P425 L432 E435	P425-F430 HydrophobicContact CG-CD2 3.6Å; P425-F430 HydrophobicContact CG-CE2 3.81Å; F430-L432 HydrophobicContact CE1-CB 3.82Å; F430-L432 HydrophobicContact CE1-CD1 4.11Å; F430-L432 HydrophobicContact CZ-CB 4.34Å; F430-L432 HydrophobicContact CZ-CD1 3.97Å; F430-E435 WeakPolarHBondContact CE2-OE2 3.36Å; F430-E435 WeakPolarHBondContact CZ-OE2 3.48Å
431	E	83	Confident	85.1	Confident	74 Å²	74	57.7 Å²	57.7	35%	0.346	31%	0.313	S	S	.	.			trans	-110.8	93.6	177.1	-69.4	-174.4	-149.7	0	0	110.7	K380 H384 G429 K433 Q434 E435	K380-E431 WeakPolarHBondContact CE-OE1 3.29Å; K380-E431 IonicContact NZ-OE1 2.71Å; K380-E431 PolarHBondContact NZ-OE1 2.84Å; H384-E431 IonicContact CE1-OE1 2.8Å; H384-E431 IonicContact CE1-OE2 3.43Å; H384-E431 PolarHBondContact CE1-OE2 3.43Å; H384-E431 VanDerWaalsContact CE1-OE2 3.24Å; H384-E431 IonicContact NE2-OE1 3.32Å; H384-E431 IonicContact NE2-OE2 2.88Å; G429-E431 PolarHBondContact O-N 2.83Å; E431-K433 PolarHBondContact O-N 3.28Å; E431-K433 VanDerWaalsContact O-N 3.16Å; E431-Q434 HydrophobicContact CB-CB 3.92Å; E431-Q434 PolarHBondContact O-N 3Å; E431-E435 PolarHBondContact O-N 2.91Å
432	L	87.8	Confident	85	Confident	87 Å²	87	58.1 Å²	58.1	46%	0.455	32%	0.315	S	S	.	.	H	α-helix	trans	-53.4	-39.2	-178.5	-177.5	62	0	0	0	113	F430 E435 Q436	F430-L432 HydrophobicContact CE1-CB 3.82Å; F430-L432 HydrophobicContact CE1-CD1 4.11Å; F430-L432 HydrophobicContact CZ-CB 4.34Å; F430-L432 HydrophobicContact CZ-CD1 3.97Å; L432-E435 PolarHBondContact O-N 3.46Å; L432-Q436 HydrophobicContact CD1-CG 4.31Å; L432-Q436 HydrophobicContact CG-CG 4.44Å; L432-Q436 WeakPolarHBondContact O-CB 3.35Å; L432-Q436 VanDerWaalsContact O-CG 3.28Å; L432-Q436 WeakPolarHBondContact O-CG 3.5Å; L432-Q436 PolarHBondContact O-N 3.07Å
433	K	91.2	Very high	84.7	Confident	177 Å²	177	59.4 Å²	59.4	77%	0.77	32%	0.322	S	S	*	.	H	α-helix	trans	-62.2	-43.8	178.2	-71.1	-174.9	178.5	179.9	0	111.9	E431 Q436 Q437	E431-K433 PolarHBondContact O-N 3.28Å; E431-K433 VanDerWaalsContact O-N 3.16Å; K433-Q436 PolarHBondContact O-N 3.29Å; K433-Q437 WeakPolarHBondContact O-CB 3.22Å; K433-Q437 PolarHBondContact O-N 3.19Å
434	Q	91	Very high	84.7	Confident	13 Å²	13	63.5 Å²	63.5	6%	0.061	35%	0.351	C	S	.	.	H	α-helix	trans	-68.4	-40.3	179.9	-173.5	60.8	59	0	0	111.1	F383 H384 E431 Q437 N438	F383-Q434 HydrophobicContact CD1-CG 3.63Å; F383-Q434 HydrophobicContact CE1-CB 4.12Å; F383-Q434 HydrophobicContact CE1-CG 3.54Å; H384-Q434 PolarHBondContact CE1-OE1 3.41Å; H384-Q434 PolarHBondContact ND1-OE1 3.28Å; E431-Q434 HydrophobicContact CB-CB 3.92Å; E431-Q434 PolarHBondContact O-N 3Å; Q434-Q437 PolarHBondContact O-N 2.91Å; Q434-N438 PolarHBondContact NE2-OD1 3.06Å; Q434-N438 PolarHBondContact O-N 3.1Å
435	E	90.5	Very high	84.7	Confident	23 Å²	23	60.7 Å²	60.7	11%	0.107	34%	0.344	C	S	.	.	H	α-helix	trans	-58.8	-50.5	173	178.3	-176.1	130.7	0	0	111.8	F383 M423 P425 F430 E431 L432 Q437 N438 K439	F383-E435 HydrophobicContact CZ-CB 4.42Å; M423-E435 WeakPolarHBondContact O-CG 3.49Å; P425-E435 VanDerWaalsContact CD-OE2 3.23Å; P425-E435 WeakPolarHBondContact CD-OE2 3.38Å; F430-E435 WeakPolarHBondContact CE2-OE2 3.36Å; F430-E435 WeakPolarHBondContact CZ-OE2 3.48Å; E431-E435 PolarHBondContact O-N 2.91Å; L432-E435 PolarHBondContact O-N 3.46Å; E435-Q437 VanDerWaalsContact C-N 3.28Å; E435-Q437 PolarHBondContact O-N 2.8Å; E435-N438 PolarHBondContact O-N 2.72Å; E435-K439 HydrophobicContact CG-CD 4.13Å; E435-K439 VanDerWaalsContact CG-CE 3.48Å; E435-K439 WeakPolarHBondContact O-CG 3.33Å; E435-K439 PolarHBondContact O-N 3.37Å; E435-K439 WeakPolarHBondContact OE1-CE 3.49Å; E435-K439 IonicContact OE1-NZ 2.58Å; E435-K439 PolarHBondContact OE1-NZ 2.88Å
436	Q	91.1	Very high	84.9	Confident	109 Å²	109	66.9 Å²	66.9	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-59.8	-40.4	178.1	-74.6	173.9	-19.2	0	0	111.6	L432 K433 K439 S440	L432-Q436 HydrophobicContact CD1-CG 4.31Å; L432-Q436 HydrophobicContact CG-CG 4.44Å; L432-Q436 WeakPolarHBondContact O-CB 3.35Å; L432-Q436 VanDerWaalsContact O-CG 3.28Å; L432-Q436 WeakPolarHBondContact O-CG 3.5Å; L432-Q436 PolarHBondContact O-N 3.07Å; K433-Q436 PolarHBondContact O-N 3.29Å; Q436-K439 PolarHBondContact O-N 3.32Å; Q436-S440 WeakPolarHBondContact O-CB 3.28Å; Q436-S440 PolarHBondContact O-N 3.13Å
437	Q	92.5	Very high	85.2	Confident	83 Å²	83	66.7 Å²	66.7	39%	0.388	38%	0.377	S	S	.	.	H	α-helix	trans	-64	-45.7	176.8	-172	177	5.4	0	0	111.8	A387 K433 Q434 E435 S440 L441	A387-Q437 HydrophobicContact CB-CG 3.95Å; K433-Q437 WeakPolarHBondContact O-CB 3.22Å; K433-Q437 PolarHBondContact O-N 3.19Å; Q434-Q437 PolarHBondContact O-N 2.91Å; E435-Q437 VanDerWaalsContact C-N 3.28Å; E435-Q437 PolarHBondContact O-N 2.8Å; Q437-S440 PolarHBondContact O-N 3.04Å; Q437-L441 HydrophobicContact CG-CD1 4Å; Q437-L441 WeakPolarHBondContact O-CB 3.33Å; Q437-L441 VanDerWaalsContact O-CG 3.27Å; Q437-L441 WeakPolarHBondContact O-CG 3.27Å; Q437-L441 PolarHBondContact O-N 3.34Å
438	N	92.3	Very high	85.8	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-62.1	-45	176.7	-77	3.8	0	0	0	111.5	F383 F386 A387 L422 Q434 E435 L441 L442	F383-N438 WeakPolarHBondContact CE2-ND2 3.01Å; F383-N438 WeakPolarHBondContact CZ-ND2 3.22Å; F383-N438 PolarHBondContact O-ND2 3.03Å; F386-N438 HydrophobicContact CD1-CB 4.16Å; F386-N438 HydrophobicContact CE1-CB 4.48Å; A387-N438 WeakPolarHBondContact CB-OD1 3.29Å; L422-N438 WeakPolarHBondContact O-CB 3.38Å; L422-N438 PolarHBondContact O-ND2 2.9Å; L422-N438 VanDerWaalsContact O-ND2 3.17Å; Q434-N438 PolarHBondContact NE2-OD1 3.06Å; Q434-N438 PolarHBondContact O-N 3.1Å; E435-N438 PolarHBondContact O-N 2.72Å; N438-L441 PolarHBondContact O-N 3.4Å; N438-L442 VanDerWaalsContact O-CB 3.28Å; N438-L442 WeakPolarHBondContact O-CB 3.47Å; N438-L442 PolarHBondContact O-N 3.42Å
439	K	90.6	Very high	86.5	Confident	34 Å²	34	65 Å²	65	15%	0.148	35%	0.35	C	S	.	.	H	α-helix	trans	-58.6	-49.3	175.9	-71.7	174.4	-177.7	-175.3	0	111.6	M423 E435 Q436 L441 L442 L443 L479	M423-K439 HydrophobicContact CB-CG 4.17Å; M423-K439 HydrophobicContact CG-CG 4.19Å; M423-K439 WeakPolarHBondContact O-CE 3.25Å; E435-K439 HydrophobicContact CG-CD 4.13Å; E435-K439 VanDerWaalsContact CG-CE 3.48Å; E435-K439 WeakPolarHBondContact O-CG 3.33Å; E435-K439 PolarHBondContact O-N 3.37Å; E435-K439 WeakPolarHBondContact OE1-CE 3.49Å; E435-K439 IonicContact OE1-NZ 2.58Å; E435-K439 PolarHBondContact OE1-NZ 2.88Å; Q436-K439 PolarHBondContact O-N 3.32Å; K439-L441 VanDerWaalsContact C-N 3.33Å; K439-L441 PolarHBondContact O-N 2.99Å; K439-L442 PolarHBondContact O-N 3.4Å; K439-L443 WeakPolarHBondContact O-CB 3.25Å; K439-L443 VanDerWaalsContact O-CG 3.23Å; K439-L443 WeakPolarHBondContact O-CG 3.01Å; K439-L443 PolarHBondContact O-N 3.21Å; K439-L479 HydrophobicContact CD-CD2 3.72Å; K439-L479 HydrophobicContact CG-CD2 4.3Å
440	S	90.5	Very high	87.2	Confident	77 Å²	77	66.9 Å²	66.9	54%	0.538	35%	0.345	S	S	.	.	H	α-helix	trans	-58.1	-45.5	178.3	-179.5	0	0	0	0	111.7	Q436 Q437 L443 S444	Q436-S440 WeakPolarHBondContact O-CB 3.28Å; Q436-S440 PolarHBondContact O-N 3.13Å; Q437-S440 PolarHBondContact O-N 3.04Å; S440-L443 PolarHBondContact O-N 3.44Å; S440-S444 VanDerWaalsContact O-CB 3.26Å; S440-S444 WeakPolarHBondContact O-CB 3.33Å; S440-S444 PolarHBondContact O-N 3.46Å
441	L	91.7	Very high	87.5	Confident	51 Å²	51	66.2 Å²	66.2	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-71.1	-34.6	-179.5	-71.2	172.2	0	0	0	113.7	F386 A387 Q437 N438 K439 L443 S444	F386-L441 HydrophobicContact CE1-CB 4.01Å; A387-L441 HydrophobicContact CB-CD1 3.86Å; Q437-L441 HydrophobicContact CG-CD1 4Å; Q437-L441 WeakPolarHBondContact O-CB 3.33Å; Q437-L441 VanDerWaalsContact O-CG 3.27Å; Q437-L441 WeakPolarHBondContact O-CG 3.27Å; Q437-L441 PolarHBondContact O-N 3.34Å; N438-L441 PolarHBondContact O-N 3.4Å; K439-L441 VanDerWaalsContact C-N 3.33Å; K439-L441 PolarHBondContact O-N 2.99Å; L441-L443 VanDerWaalsContact C-N 3.34Å; L441-S444 PolarHBondContact O-OG 3.2Å
442	L	88	Confident	87.3	Confident	15 Å²	15	63.3 Å²	63.3	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-70.9	-35.2	178.2	-169.5	74.7	0	0	0	111.3	F386 L419 M423 N438 K439	F386-L442 HydrophobicContact CE1-CB 4.32Å; F386-L442 HydrophobicContact CE2-CD1 4.38Å; F386-L442 HydrophobicContact CZ-CB 4.24Å; F386-L442 HydrophobicContact CZ-CD1 3.78Å; L419-L442 HydrophobicContact CB-CD2 4.28Å; L419-L442 HydrophobicContact CD2-CD1 3.8Å; M423-L442 HydrophobicContact CE-CD2 4.12Å; M423-L442 HydrophobicContact CG-CD2 3.54Å; M423-L442 HydrophobicContact SD-CD2 3.57Å; M423-L442 VanDerWaalsContact SD-CD2 3.57Å; N438-L442 VanDerWaalsContact O-CB 3.28Å; N438-L442 WeakPolarHBondContact O-CB 3.47Å; N438-L442 PolarHBondContact O-N 3.42Å; K439-L442 PolarHBondContact O-N 3.4Å
443	L	84.3	Confident	87	Confident	28 Å²	28	62.2 Å²	62.2	15%	0.147	32%	0.319	C	S	.	.	H	α-helix	trans	-103.9	3.5	-171.1	-52.4	169.9	0	0	0	112.5	M423 K439 S440 L441 S445 L449 L483	M423-L443 HydrophobicContact SD-CD1 4.48Å; K439-L443 WeakPolarHBondContact O-CB 3.25Å; K439-L443 VanDerWaalsContact O-CG 3.23Å; K439-L443 WeakPolarHBondContact O-CG 3.01Å; K439-L443 PolarHBondContact O-N 3.21Å; S440-L443 PolarHBondContact O-N 3.44Å; L441-L443 VanDerWaalsContact C-N 3.34Å; L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 2.84Å; L443-L449 HydrophobicContact CB-CD1 4.48Å; L443-L449 HydrophobicContact CB-CD2 4.2Å; L443-L449 HydrophobicContact CD2-CD2 3.45Å; L443-L449 VanDerWaalsContact CD2-CD2 3.45Å; L443-L449 HydrophobicContact CG-CD2 4.4Å; L443-L449 VanDerWaalsContact O-CD1 3.27Å; L443-L449 WeakPolarHBondContact O-CD1 3.33Å; L443-L483 HydrophobicContact CB-CD1 4.49Å; L443-L483 HydrophobicContact CD1-CD1 2.99Å; L443-L483 HydrophobicContact CD1-CG 4.5Å; L443-L483 HydrophobicContact CG-CD1 4.31Å
444	S	86	Confident	86.6	Confident	88 Å²	88	58.9 Å²	58.9	62%	0.615	31%	0.31	S	S	*	.			trans	-69.9	-24.2	179.3	62.3	0	0	0	0	113.7	S440 L441 K446	S440-S444 VanDerWaalsContact O-CB 3.26Å; S440-S444 WeakPolarHBondContact O-CB 3.33Å; S440-S444 PolarHBondContact O-N 3.46Å; L441-S444 PolarHBondContact O-OG 3.2Å; S444-K446 PolarHBondContact O-N 2.81Å
445	S	84.5	Confident	85.8	Confident	54 Å²	54	59.6 Å²	59.6	38%	0.378	31%	0.314	S	S	.	.			trans	-91.2	103.7	-177	176.4	0	0	0	0	111.1	L443 A447 F448 L449	L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 2.84Å; S445-A447 VanDerWaalsContact C-N 3.31Å; S445-A447 PolarHBondContact O-N 3.43Å; S445-F448 WeakPolarHBondContact O-CB 3.32Å; S445-F448 PolarHBondContact O-N 3.29Å; S445-F448 VanDerWaalsContact O-N 3.09Å; S445-F448 WeakPolarHBondContact OG-CB 3.49Å; S445-F448 PolarHBondContact OG-N 3.22Å; S445-L449 WeakPolarHBondContact O-CG 3.05Å; S445-L449 PolarHBondContact O-N 3.31Å
446	K	85.2	Confident	84.9	Confident	150 Å²	150	59.6 Å²	59.6	65%	0.652	31%	0.314	S	S	*	.	H	α-helix	trans	-53.7	-46.2	175.8	-177.6	176.9	172.7	179.5	0	112.5	S444 F448 L449 E450	S444-K446 PolarHBondContact O-N 2.81Å; K446-F448 VanDerWaalsContact C-N 3.28Å; K446-F448 PolarHBondContact O-N 2.88Å; K446-L449 WeakPolarHBondContact O-CB 3.41Å; K446-L449 PolarHBondContact O-N 3.26Å; K446-E450 WeakPolarHBondContact CE-OE1 3.15Å; K446-E450 HydrophobicContact CG-CG 4.42Å; K446-E450 IonicContact NZ-OE1 3.84Å; K446-E450 WeakPolarHBondContact O-CG 3.49Å; K446-E450 PolarHBondContact O-N 3Å
447	A	83.2	Confident	84.2	Confident	56 Å²	56	58.5 Å²	58.5	46%	0.463	32%	0.315	S	S	.	.	H	α-helix	trans	-65.1	-31.4	179.8	0	0	0	0	0	112.9	S445 R451	S445-A447 VanDerWaalsContact C-N 3.31Å; S445-A447 PolarHBondContact O-N 3.43Å; A447-R451 WeakPolarHBondContact O-CG 3.36Å; A447-R451 PolarHBondContact O-N 2.86Å
448	F	83.5	Confident	83.3	Confident	18 Å²	18	58 Å²	58	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-70.5	-44.8	173.4	178.6	-102.6	0	0	0	110.9	V400 I401 L419 S445 K446 R451 M452	V400-F448 HydrophobicContact CB-CE2 4.24Å; V400-F448 HydrophobicContact CG1-CE2 3.76Å; V400-F448 HydrophobicContact CG1-CZ 4.03Å; I401-F448 HydrophobicContact CD1-CD2 4.25Å; I401-F448 HydrophobicContact CG1-CD2 4.18Å; I401-F448 HydrophobicContact CG1-CE2 4.46Å; L419-F448 HydrophobicContact CD1-CZ 4.04Å; S445-F448 WeakPolarHBondContact O-CB 3.32Å; S445-F448 PolarHBondContact O-N 3.29Å; S445-F448 VanDerWaalsContact O-N 3.09Å; S445-F448 WeakPolarHBondContact OG-CB 3.49Å; S445-F448 PolarHBondContact OG-N 3.22Å; K446-F448 VanDerWaalsContact C-N 3.28Å; K446-F448 PolarHBondContact O-N 2.88Å; F448-R451 PolarHBondContact O-N 3.25Å; F448-M452 HydrophobicContact CD1-CG 4.24Å; F448-M452 HydrophobicContact CD2-CE 4.41Å; F448-M452 HydrophobicContact CE1-CG 3.87Å; F448-M452 HydrophobicContact CE1-SD 4.32Å; F448-M452 HydrophobicContact CE2-CE 3.94Å; F448-M452 HydrophobicContact CE2-SD 4.34Å; F448-M452 HydrophobicContact CZ-CE 4.13Å; F448-M452 HydrophobicContact CZ-CG 4.07Å; F448-M452 HydrophobicContact CZ-SD 3.92Å; F448-M452 WeakPolarHBondContact O-CG 3.33Å; F448-M452 PolarHBondContact O-N 2.87Å
449	L	83.4	Confident	82.3	Confident	42 Å²	42	58 Å²	58	22%	0.22	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-46.7	177	-70.3	178.5	0	0	0	112.5	L443 S445 K446 R451 M452 L453	L443-L449 HydrophobicContact CB-CD1 4.48Å; L443-L449 HydrophobicContact CB-CD2 4.2Å; L443-L449 HydrophobicContact CD2-CD2 3.45Å; L443-L449 VanDerWaalsContact CD2-CD2 3.45Å; L443-L449 HydrophobicContact CG-CD2 4.4Å; L443-L449 VanDerWaalsContact O-CD1 3.27Å; L443-L449 WeakPolarHBondContact O-CD1 3.33Å; S445-L449 WeakPolarHBondContact O-CG 3.05Å; S445-L449 PolarHBondContact O-N 3.31Å; K446-L449 WeakPolarHBondContact O-CB 3.41Å; K446-L449 PolarHBondContact O-N 3.26Å; L449-R451 VanDerWaalsContact C-N 3.27Å; L449-R451 PolarHBondContact O-N 3.5Å; L449-M452 WeakPolarHBondContact O-CB 3.3Å; L449-M452 PolarHBondContact O-N 3.36Å; L449-M452 VanDerWaalsContact O-N 3.07Å; L449-L453 WeakPolarHBondContact O-CG 3.43Å; L449-L453 PolarHBondContact O-N 3.45Å
450	E	85.2	Confident	81.2	Confident	93 Å²	93	60.5 Å²	60.5	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-55.9	-44.9	177.3	-74.7	172.3	167	0	0	110.8	K446 M452 L453 D454	K446-E450 WeakPolarHBondContact CE-OE1 3.15Å; K446-E450 HydrophobicContact CG-CG 4.42Å; K446-E450 IonicContact NZ-OE1 3.84Å; K446-E450 WeakPolarHBondContact O-CG 3.49Å; K446-E450 PolarHBondContact O-N 3Å; E450-M452 PolarHBondContact O-N 3.18Å; E450-L453 WeakPolarHBondContact O-CB 3.29Å; E450-L453 PolarHBondContact O-N 2.73Å; E450-D454 VanDerWaalsContact O-CG 3.27Å; E450-D454 PolarHBondContact O-N 3.48Å
451	R	81.4	Confident	80.2	Confident	119 Å²	119	62.3 Å²	62.3	45%	0.449	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-41.3	174.9	-70.6	177	-172.4	-104.2	0.3	112.9	A447 F448 L449 L453 D454 I455	A447-R451 WeakPolarHBondContact O-CG 3.36Å; A447-R451 PolarHBondContact O-N 2.86Å; F448-R451 PolarHBondContact O-N 3.25Å; L449-R451 VanDerWaalsContact C-N 3.27Å; L449-R451 PolarHBondContact O-N 3.5Å; R451-L453 VanDerWaalsContact C-N 3.28Å; R451-L453 PolarHBondContact O-N 3.47Å; R451-D454 PolarHBondContact O-N 3.33Å; R451-I455 VanDerWaalsContact O-CD1 3.32Å; R451-I455 WeakPolarHBondContact O-CD1 3.19Å; R451-I455 VanDerWaalsContact O-CG1 3.29Å; R451-I455 WeakPolarHBondContact O-CG1 3.44Å; R451-I455 PolarHBondContact O-N 3.4Å; R451-I455 VanDerWaalsContact O-N 3.1Å
452	M	79.8	Confident	78.9	Confident	12 Å²	12	67.4 Å²	67.4	6%	0.059	35%	0.351	C	S	.	.	H	α-helix	trans	-61.8	-40.1	175.6	-68.3	-54.2	92.2	0	0	111.3	V400 L404 I416 L419 F448 L449 E450 I455 L456	V400-M452 HydrophobicContact CG1-CE 4.01Å; V400-M452 HydrophobicContact CG1-SD 4.34Å; L404-M452 HydrophobicContact CD1-CE 3.19Å; L404-M452 HydrophobicContact CD1-SD 4.1Å; I416-M452 HydrophobicContact CD1-SD 4.1Å; L419-M452 HydrophobicContact CD1-SD 4.3Å; F448-M452 HydrophobicContact CD1-CG 4.24Å; F448-M452 HydrophobicContact CD2-CE 4.41Å; F448-M452 HydrophobicContact CE1-CG 3.87Å; F448-M452 HydrophobicContact CE1-SD 4.32Å; F448-M452 HydrophobicContact CE2-CE 3.94Å; F448-M452 HydrophobicContact CE2-SD 4.34Å; F448-M452 HydrophobicContact CZ-CE 4.13Å; F448-M452 HydrophobicContact CZ-CG 4.07Å; F448-M452 HydrophobicContact CZ-SD 3.92Å; F448-M452 WeakPolarHBondContact O-CG 3.33Å; F448-M452 PolarHBondContact O-N 2.87Å; L449-M452 WeakPolarHBondContact O-CB 3.3Å; L449-M452 PolarHBondContact O-N 3.36Å; L449-M452 VanDerWaalsContact O-N 3.07Å; E450-M452 PolarHBondContact O-N 3.18Å; M452-I455 HydrophobicContact CE-CD1 4.17Å; M452-I455 PolarHBondContact O-N 3.39Å; M452-L456 PolarHBondContact O-N 3.48Å
453	L	81.2	Confident	77.2	Confident	64 Å²	64	68.8 Å²	68.8	34%	0.335	36%	0.358	S	S	.	.	H	α-helix	trans	-67.3	-43.8	177.5	-69.3	173.6	0	0	0	111.6	L449 E450 R451 I455 L456 V457 F477 I480	L449-L453 WeakPolarHBondContact O-CG 3.43Å; L449-L453 PolarHBondContact O-N 3.45Å; E450-L453 WeakPolarHBondContact O-CB 3.29Å; E450-L453 PolarHBondContact O-N 2.73Å; R451-L453 VanDerWaalsContact C-N 3.28Å; R451-L453 PolarHBondContact O-N 3.47Å; L453-I455 VanDerWaalsContact C-N 3.27Å; L453-I455 PolarHBondContact O-N 3.46Å; L453-L456 WeakPolarHBondContact O-CB 3.47Å; L453-L456 PolarHBondContact O-N 2.7Å; L453-L456 VanDerWaalsContact O-N 3.16Å; L453-V457 WeakPolarHBondContact O-CG2 3.42Å; L453-V457 PolarHBondContact O-N 2.8Å; L453-F477 HydrophobicContact CD2-CE2 3.54Å; L453-F477 HydrophobicContact CD2-CZ 3.59Å; L453-I480 HydrophobicContact CD2-CD1 4.41Å
454	D	82	Confident	75.3	Confident	108 Å²	108	71.9 Å²	71.9	58%	0.578	39%	0.387	S	S	*	.	H	α-helix	trans	-58.2	-42.3	176.4	-71.3	-24.2	0	0	0	111.5	E450 R451 V457 W458	E450-D454 VanDerWaalsContact O-CG 3.27Å; E450-D454 PolarHBondContact O-N 3.48Å; R451-D454 PolarHBondContact O-N 3.33Å; D454-V457 PolarHBondContact O-N 2.82Å; D454-W458 WeakPolarHBondContact O-CB 3.16Å; D454-W458 PolarHBondContact O-N 2.68Å
455	I	74.7	Confident	73.5	Confident	28 Å²	28	76.7 Å²	76.7	14%	0.144	40%	0.397	C	S	.	.	H	α-helix	trans	-67.2	-42	177.6	-70	161.9	0	0	0	110.7	L404 R451 M452 L453 V457 W458 H459 F473	L404-I455 HydrophobicContact CB-CD1 3.57Å; L404-I455 HydrophobicContact CD1-CD1 3.49Å; L404-I455 VanDerWaalsContact CD1-CD1 3.49Å; L404-I455 HydrophobicContact CD2-CD1 4.05Å; L404-I455 HydrophobicContact CG-CD1 3.87Å; R451-I455 VanDerWaalsContact O-CD1 3.32Å; R451-I455 WeakPolarHBondContact O-CD1 3.19Å; R451-I455 VanDerWaalsContact O-CG1 3.29Å; R451-I455 WeakPolarHBondContact O-CG1 3.44Å; R451-I455 PolarHBondContact O-N 3.4Å; R451-I455 VanDerWaalsContact O-N 3.1Å; M452-I455 HydrophobicContact CE-CD1 4.17Å; M452-I455 PolarHBondContact O-N 3.39Å; L453-I455 VanDerWaalsContact C-N 3.27Å; L453-I455 PolarHBondContact O-N 3.46Å; I455-V457 VanDerWaalsContact C-N 3.35Å; I455-V457 PolarHBondContact O-N 2.77Å; I455-W458 WeakPolarHBondContact O-CB 3.41Å; I455-W458 PolarHBondContact O-N 2.71Å; I455-H459 PolarHBondContact O-CD2 2.74Å; I455-H459 PolarHBondContact O-N 3.21Å; I455-F473 HydrophobicContact CG2-CZ 4.14Å
456	L	71.2	Confident	71.9	Confident	22 Å²	22	78.3 Å²	78.3	12%	0.115	40%	0.399	C	S	.	.	H	α-helix	trans	-59.1	-48.9	173.6	173.8	65.2	0	0	0	111.3	M452 L453 W458 H459 V460 F473 F477	M452-L456 PolarHBondContact O-N 3.48Å; L453-L456 WeakPolarHBondContact O-CB 3.47Å; L453-L456 PolarHBondContact O-N 2.7Å; L453-L456 VanDerWaalsContact O-N 3.16Å; L456-W458 PolarHBondContact O-N 3.44Å; L456-H459 PolarHBondContact O-N 2.94Å; L456-H459 VanDerWaalsContact O-N 3.13Å; L456-V460 HydrophobicContact CD1-CG2 3.85Å; L456-V460 HydrophobicContact CG-CG2 4.18Å; L456-V460 WeakPolarHBondContact O-CB 3.16Å; L456-V460 VanDerWaalsContact O-CG2 3.31Å; L456-V460 WeakPolarHBondContact O-CG2 3.04Å; L456-V460 PolarHBondContact O-N 2.66Å; L456-F473 HydrophobicContact CB-CD1 4.12Å; L456-F473 HydrophobicContact CB-CE1 3.99Å; L456-F473 HydrophobicContact CB-CZ 4.29Å; L456-F473 HydrophobicContact CD1-CB 3.61Å; L456-F473 HydrophobicContact CD1-CD1 3.86Å; L456-F473 HydrophobicContact CD1-CD2 3.58Å; L456-F473 HydrophobicContact CD1-CE1 4.38Å; L456-F473 HydrophobicContact CD1-CE2 4.16Å; L456-F473 HydrophobicContact CD1-CG 3.46Å; L456-F473 VanDerWaalsContact CD1-CG 3.46Å; L456-F473 HydrophobicContact CG-CD1 4.41Å; L456-F473 HydrophobicContact CG-CG 4.46Å; L456-F477 HydrophobicContact CD2-CD2 3.44Å; L456-F477 VanDerWaalsContact CD2-CD2 3.44Å; L456-F477 HydrophobicContact CD2-CE2 2.95Å; L456-F477 HydrophobicContact CD2-CG 4.47Å; L456-F477 HydrophobicContact CD2-CZ 3.65Å; L456-F477 HydrophobicContact CG-CE2 4.42Å
457	V	77.3	Confident	70.3	Confident	86 Å²	86	71.5 Å²	71.5	52%	0.521	37%	0.37	S	S	.	.	H	α-helix	trans	-58.3	-43.3	178.7	171.2	0	0	0	0	109.5	L453 D454 I455 H459 V460 V461	L453-V457 WeakPolarHBondContact O-CG2 3.42Å; L453-V457 PolarHBondContact O-N 2.8Å; D454-V457 PolarHBondContact O-N 2.82Å; I455-V457 VanDerWaalsContact C-N 3.35Å; I455-V457 PolarHBondContact O-N 2.77Å; V457-H459 PolarHBondContact O-N 3.45Å; V457-V460 PolarHBondContact O-N 2.73Å; V457-V461 HydrophobicContact CG1-CG2 3.93Å; V457-V461 VanDerWaalsContact O-CB 3.28Å; V457-V461 WeakPolarHBondContact O-CB 3.24Å; V457-V461 WeakPolarHBondContact O-CG2 3.15Å; V457-V461 PolarHBondContact O-N 3.41Å
458	W	74.4	Confident	68.8	Low	73 Å²	73	69.2 Å²	69.2	28%	0.277	35%	0.35	S	S	.	.	H	α-helix	trans	-57.6	-47.1	174.8	-177.1	94.4	0	0	0	112.4	N407 D454 I455 L456 V460 R462	N407-W458 HydrophobicContact CB-CH2 4.11Å; N407-W458 HydrophobicContact CB-CZ2 3.98Å; D454-W458 WeakPolarHBondContact O-CB 3.16Å; D454-W458 PolarHBondContact O-N 2.68Å; I455-W458 WeakPolarHBondContact O-CB 3.41Å; I455-W458 PolarHBondContact O-N 2.71Å; L456-W458 PolarHBondContact O-N 3.44Å; W458-V460 PolarHBondContact O-N 2.72Å; W458-R462 WeakPolarHBondContact O-CB 3.39Å; W458-R462 PolarHBondContact O-N 2.78Å
459	H	70.4	Confident	67.3	Low	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-40.6	177.1	-86.6	-74.2	0	0	0	112.4	D412 I455 L456 V457 L463 C467	D412-H459 IonicContact OD2-CD2 3.89Å; D412-H459 IonicContact OD2-CE1 3.99Å; D412-H459 PolarHBondContact OD2-CE1 3.4Å; D412-H459 IonicContact OD2-NE2 2.71Å; D412-H459 PolarHBondContact OD2-NE2 2.78Å; I455-H459 PolarHBondContact O-CD2 2.74Å; I455-H459 PolarHBondContact O-N 3.21Å; L456-H459 PolarHBondContact O-N 2.94Å; L456-H459 VanDerWaalsContact O-N 3.13Å; V457-H459 PolarHBondContact O-N 3.45Å; H459-L463 VanDerWaalsContact O-CB 3.31Å; H459-L463 WeakPolarHBondContact O-CB 3Å; H459-L463 PolarHBondContact O-N 3.43Å; H459-L463 VanDerWaalsContact O-N 3.14Å; H459-C467 HydrophobicContact CB-CB 4.26Å; H459-C467 PolarHBondContact ND1-SG 3.08Å
460	V	68.1	Low	65.8	Low	87 Å²	87	67.4 Å²	67.4	53%	0.527	34%	0.343	S	S	.	.	H	α-helix	trans	-70.5	-42.6	179.4	171.4	0	0	0	0	111.8	L456 V457 W458	L456-V460 HydrophobicContact CD1-CG2 3.85Å; L456-V460 HydrophobicContact CG-CG2 4.18Å; L456-V460 WeakPolarHBondContact O-CB 3.16Å; L456-V460 VanDerWaalsContact O-CG2 3.31Å; L456-V460 WeakPolarHBondContact O-CG2 3.04Å; L456-V460 PolarHBondContact O-N 2.66Å; V457-V460 PolarHBondContact O-N 2.73Å; W458-V460 PolarHBondContact O-N 2.72Å
461	V	68.6	Low	64.3	Low	114 Å²	114	64.6 Å²	64.6	69%	0.691	33%	0.33	S	S	*	.	H	α-helix	trans	-72.9	-40.5	-177.7	171.1	0	0	0	0	111.1	V457	V457-V461 HydrophobicContact CG1-CG2 3.93Å; V457-V461 VanDerWaalsContact O-CB 3.28Å; V457-V461 WeakPolarHBondContact O-CB 3.24Å; V457-V461 WeakPolarHBondContact O-CG2 3.15Å; V457-V461 PolarHBondContact O-N 3.41Å
462	R	63.7	Low	63	Low	159 Å²	159	59 Å²	59	60%	0.6	31%	0.309	S	S	*	.	H	α-helix	trans	-76.8	-33.6	-177.9	-167.4	176	173.6	-171.3	-4.3	112.6	W458	W458-R462 WeakPolarHBondContact O-CB 3.39Å; W458-R462 PolarHBondContact O-N 2.78Å
463	L	52.6	Low	61.8	Low	44 Å²	44	58.7 Å²	58.7	23%	0.23	31%	0.308	C	S	.	.	S	Bend	trans	-107.3	85.5	178.9	-59.7	168.2	0	0	0	108.7	H459 K465 C467	H459-L463 VanDerWaalsContact O-CB 3.31Å; H459-L463 WeakPolarHBondContact O-CB 3Å; H459-L463 PolarHBondContact O-N 3.43Å; H459-L463 VanDerWaalsContact O-N 3.14Å; L463-K465 PolarHBondContact O-N 2.83Å; L463-C467 HydrophobicContact CB-CB 4.39Å; L463-C467 HydrophobicContact CD1-CB 3.75Å
464	A	45.9	Very low	60.6	Low	93 Å²	93	63.7 Å²	63.7	77%	0.769	32%	0.322	S	S	*	.	S	Bend	trans	-49.3	108.2	167.7	0	0	0	0	0	109.5
465	K	46.7	Very low	59.4	Low	188 Å²	188	62.5 Å²	62.5	82%	0.817	31%	0.312	S	S	*	.	S	Bend	trans	100.2	-41	165.5	-58.9	-175.8	175.8	179.4	0	119.8	L463	L463-K465 PolarHBondContact O-N 2.83Å
466	H	51	Low	58.4	Low	89 Å²	89	61.7 Å²	61.7	41%	0.412	31%	0.308	S	S	.	.			trans	-156.6	83.5	-176.2	-65.8	-70.2	0	0	0	113.2	N254	N254-H466 WeakPolarHBondContact OD1-CB 3.21Å; N254-H466 PolarHBondContact OD1-CD2 3.3Å; N254-H466 VanDerWaalsContact OD1-CD2 3.29Å; N254-H466 VanDerWaalsContact OD1-CG 3.24Å
467	C	51.6	Low	57.6	Low	7 Å²	7	64.8 Å²	64.8	5%	0.047	32%	0.32	C	S	.	.			trans	-65.1	138.5	170	177.1	0	0	0	0	110.2	H459 L463 C469 S470	H459-C467 HydrophobicContact CB-CB 4.26Å; H459-C467 PolarHBondContact ND1-SG 3.08Å; L463-C467 HydrophobicContact CB-CB 4.39Å; L463-C467 HydrophobicContact CD1-CB 3.75Å; C467-C469 PolarHBondContact O-N 3.48Å; C467-C469 WeakPolarHBondContact SG-CB 3.41Å; C467-C469 PolarHBondContact SG-N 3.43Å; C467-S470 WeakPolarHBondContact O-CA 3.38Å; C467-S470 WeakPolarHBondContact O-CB 3.13Å; C467-S470 PolarHBondContact O-N 2.85Å; C467-S470 PolarHBondContact O-OG 2.79Å
468	F	51.4	Low	56.4	Low	8 Å²	8	64.1 Å²	64.1	4%	0.035	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-36.8	171.9	179.3	-114.3	0	0	0	112.1	L256 V257 L260 V273 H413 S470	L256-F468 HydrophobicContact CB-CD2 4.39Å; V257-F468 HydrophobicContact CG2-CB 4.41Å; V257-F468 HydrophobicContact CG2-CD2 3.69Å; V257-F468 HydrophobicContact CG2-CE2 4.44Å; L260-F468 HydrophobicContact CD2-CE2 3.83Å; L260-F468 HydrophobicContact CD2-CZ 3.83Å; V273-F468 HydrophobicContact CB-CE1 3.43Å; V273-F468 VanDerWaalsContact CB-CE1 3.43Å; V273-F468 HydrophobicContact CB-CE2 4.1Å; V273-F468 HydrophobicContact CB-CZ 3.21Å; V273-F468 HydrophobicContact CG1-CD1 4.32Å; V273-F468 HydrophobicContact CG1-CE1 3.52Å; V273-F468 HydrophobicContact CG1-CE2 4.47Å; V273-F468 HydrophobicContact CG1-CZ 3.73Å; V273-F468 HydrophobicContact CG2-CE1 3.79Å; V273-F468 HydrophobicContact CG2-CE2 3.46Å; V273-F468 VanDerWaalsContact CG2-CE2 3.46Å; V273-F468 HydrophobicContact CG2-CZ 3.06Å; H413-F468 HydrophobicContact CB-CD1 4Å; H413-F468 HydrophobicContact CB-CE1 4.01Å; H413-F468 AromaticContact CD2-CE1 3.21Å; H413-F468 WeakPolarHBondContact CD2-CE1 3.31Å; H413-F468 AromaticContact CD2-CZ 3.89Å; H413-F468 AromaticContact CE1-CD1 3.87Å; H413-F468 AromaticContact CE1-CE1 3.14Å; H413-F468 WeakPolarHBondContact CE1-CE1 3.47Å; H413-F468 AromaticContact CE1-CZ 3.27Å; H413-F468 WeakPolarHBondContact CE1-CZ 3.18Å; H413-F468 AromaticContact CG-CD1 3.57Å; H413-F468 AromaticContact CG-CE1 3.18Å; H413-F468 AromaticContact ND1-CD1 3.46Å; H413-F468 WeakPolarHBondContact ND1-CD1 3.48Å; H413-F468 AromaticContact ND1-CE1 3.16Å; H413-F468 WeakPolarHBondContact ND1-CE1 3.15Å; H413-F468 AromaticContact ND1-CZ 3.77Å; H413-F468 AromaticContact NE2-CE1 3.15Å; H413-F468 WeakPolarHBondContact NE2-CE1 3.5Å; H413-F468 AromaticContact NE2-CZ 3.31Å; H413-F468 VanDerWaalsContact NE2-CZ 3.31Å; H413-F468 WeakPolarHBondContact NE2-CZ 3.26Å; F468-S470 PolarHBondContact O-N 3.45Å
469	C	52	Low	55.2	Low	1 Å²	1	61.7 Å²	61.7	1%	0.007	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-16.8	170.9	-51.1	0	0	0	0	112.6	C467 L471 S472 F473	C467-C469 PolarHBondContact O-N 3.48Å; C467-C469 WeakPolarHBondContact SG-CB 3.41Å; C467-C469 PolarHBondContact SG-N 3.43Å; C469-L471 VanDerWaalsContact C-N 3.3Å; C469-L471 PolarHBondContact O-N 3.37Å; C469-S472 PolarHBondContact O-N 2.77Å; C469-F473 HydrophobicContact CB-CD2 3.3Å; C469-F473 HydrophobicContact CB-CE2 3.3Å; C469-F473 VanDerWaalsContact O-CB 3.27Å; C469-F473 WeakPolarHBondContact O-CB 3.2Å; C469-F473 WeakPolarHBondContact O-CD2 3.33Å; C469-F473 WeakPolarHBondContact O-CG 3.24Å; C469-F473 PolarHBondContact O-N 2.97Å
470	S	51.8	Low	54.2	Low	21 Å²	21	63.9 Å²	63.9	15%	0.147	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-29.7	-176.7	74.4	0	0	0	0	113.9	C467 F468 R474	C467-S470 WeakPolarHBondContact O-CA 3.38Å; C467-S470 WeakPolarHBondContact O-CB 3.13Å; C467-S470 PolarHBondContact O-N 2.85Å; C467-S470 PolarHBondContact O-OG 2.79Å; F468-S470 PolarHBondContact O-N 3.45Å; S470-R474 WeakPolarHBondContact O-CB 3.34Å; S470-R474 WeakPolarHBondContact O-CG 3.44Å; S470-R474 PolarHBondContact O-N 2.86Å
471	L	53.8	Low	53.2	Low	33 Å²	33	69.4 Å²	69.4	17%	0.173	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-50.3	172.9	-88.4	167.8	0	0	0	111.1	V257 D261 C469 F473 R474 K475	V257-L471 HydrophobicContact CB-CD1 3.94Å; V257-L471 HydrophobicContact CG1-CD1 3.35Å; V257-L471 HydrophobicContact CG1-CG 3.75Å; V257-L471 HydrophobicContact CG2-CD1 4.23Å; V257-L471 WeakPolarHBondContact O-CD1 3.34Å; D261-L471 HydrophobicContact CB-CD1 4.26Å; D261-L471 HydrophobicContact CB-CD2 4.41Å; C469-L471 VanDerWaalsContact C-N 3.3Å; C469-L471 PolarHBondContact O-N 3.37Å; L471-F473 VanDerWaalsContact C-N 3.34Å; L471-R474 WeakPolarHBondContact O-CB 3.23Å; L471-R474 PolarHBondContact O-N 3.44Å; L471-K475 PolarHBondContact O-N 3.32Å; L471-K475 VanDerWaalsContact O-N 3.15Å
472	S	53.9	Low	51.9	Low	1 Å²	1	70.3 Å²	70.3	1%	0.007	34%	0.336	C	S	.	.	H	α-helix	trans	-65.8	-40.9	179.4	-46	0	0	0	0	110.3	H413 I416 E417 C469 K475 I476	H413-S472 PolarHBondContact CE1-OG 2.9Å; H413-S472 VanDerWaalsContact CE1-OG 3.24Å; I416-S472 VanDerWaalsContact CG2-CB 3.45Å; E417-S472 WeakPolarHBondContact OE1-CB 3.31Å; E417-S472 PolarHBondContact OE1-OG 3.34Å; C469-S472 PolarHBondContact O-N 2.77Å; S472-K475 WeakPolarHBondContact O-CB 3.44Å; S472-K475 PolarHBondContact O-N 2.93Å; S472-I476 WeakPolarHBondContact O-CG1 3.37Å; S472-I476 PolarHBondContact O-N 3.1Å
473	F	55.7	Low	50.8	Low	7 Å²	7	69.8 Å²	69.8	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-67.2	-34.4	173.1	-79.5	-65	0	0	0	113.2	I416 I455 L456 C469 L471 K475 I476 F477	I416-F473 HydrophobicContact CD1-CD1 4.42Å; I416-F473 HydrophobicContact CD1-CE1 3.62Å; I416-F473 HydrophobicContact CD1-CZ 3.79Å; I416-F473 HydrophobicContact CG1-CE1 4.01Å; I416-F473 HydrophobicContact CG1-CE2 4.3Å; I416-F473 HydrophobicContact CG1-CZ 3.77Å; I416-F473 HydrophobicContact CG2-CD1 4.48Å; I455-F473 HydrophobicContact CG2-CZ 4.14Å; L456-F473 HydrophobicContact CB-CD1 4.12Å; L456-F473 HydrophobicContact CB-CE1 3.99Å; L456-F473 HydrophobicContact CB-CZ 4.29Å; L456-F473 HydrophobicContact CD1-CB 3.61Å; L456-F473 HydrophobicContact CD1-CD1 3.86Å; L456-F473 HydrophobicContact CD1-CD2 3.58Å; L456-F473 HydrophobicContact CD1-CE1 4.38Å; L456-F473 HydrophobicContact CD1-CE2 4.16Å; L456-F473 HydrophobicContact CD1-CG 3.46Å; L456-F473 VanDerWaalsContact CD1-CG 3.46Å; L456-F473 HydrophobicContact CG-CD1 4.41Å; L456-F473 HydrophobicContact CG-CG 4.46Å; C469-F473 HydrophobicContact CB-CD2 3.3Å; C469-F473 HydrophobicContact CB-CE2 3.3Å; C469-F473 VanDerWaalsContact O-CB 3.27Å; C469-F473 WeakPolarHBondContact O-CB 3.2Å; C469-F473 WeakPolarHBondContact O-CD2 3.33Å; C469-F473 WeakPolarHBondContact O-CG 3.24Å; C469-F473 PolarHBondContact O-N 2.97Å; L471-F473 VanDerWaalsContact C-N 3.34Å; F473-K475 PolarHBondContact O-N 3.39Å; F473-I476 CarbonylContact O-C 3.52Å; F473-I476 PolarHBondContact O-N 3.06Å; F473-F477 WeakPolarHBondContact O-CB 3.18Å; F473-F477 PolarHBondContact O-N 3.42Å
474	R	56.4	Low	50.8	Low	169 Å²	169	71.1 Å²	71.1	64%	0.638	35%	0.35	S	S	*	.	H	α-helix	trans	-60.4	-36.9	171	-86	174.9	-175.3	-158.8	2.5	110.9	S470 L471 F477 S478	S470-R474 WeakPolarHBondContact O-CB 3.34Å; S470-R474 WeakPolarHBondContact O-CG 3.44Å; S470-R474 PolarHBondContact O-N 2.86Å; L471-R474 WeakPolarHBondContact O-CB 3.23Å; L471-R474 PolarHBondContact O-N 3.44Å; R474-F477 PolarHBondContact O-N 3.39Å; R474-S478 VanDerWaalsContact O-CB 3.3Å; R474-S478 WeakPolarHBondContact O-CB 3.19Å; R474-S478 PolarHBondContact O-N 3.34Å
475	K	55.8	Low	51	Low	83 Å²	83	69.9 Å²	69.9	36%	0.361	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-49.9	171.4	-64.2	-178.8	178.1	-174.3	0	110.9	L471 S472 F473 F477 S478 L479	L471-K475 PolarHBondContact O-N 3.32Å; L471-K475 VanDerWaalsContact O-N 3.15Å; S472-K475 WeakPolarHBondContact O-CB 3.44Å; S472-K475 PolarHBondContact O-N 2.93Å; F473-K475 PolarHBondContact O-N 3.39Å; K475-F477 VanDerWaalsContact C-N 3.28Å; K475-F477 PolarHBondContact O-N 3.01Å; K475-S478 PolarHBondContact O-N 3.01Å; K475-L479 WeakPolarHBondContact O-CB 3.39Å; K475-L479 WeakPolarHBondContact O-CD1 3.29Å; K475-L479 WeakPolarHBondContact O-CG 3.43Å; K475-L479 PolarHBondContact O-N 3.46Å
476	I	53.4	Low	51.3	Low	11 Å²	11	63.3 Å²	63.3	6%	0.056	30%	0.301	C	S	.	.	H	α-helix	trans	-58.2	-40.3	176.2	-56.7	-155.8	0	0	0	111.2	I416 C420 M423 S472 F473 L479 I480	I416-I476 HydrophobicContact CD1-CD1 4.04Å; I416-I476 HydrophobicContact CG2-CD1 3.66Å; I416-I476 HydrophobicContact CG2-CG1 4.22Å; C420-I476 VanDerWaalsContact SG-CG1 3.58Å; M423-I476 HydrophobicContact CE-CB 4.4Å; M423-I476 HydrophobicContact CE-CD1 4.06Å; M423-I476 HydrophobicContact CE-CG1 3.75Å; M423-I476 HydrophobicContact CE-CG2 4.49Å; S472-I476 WeakPolarHBondContact O-CG1 3.37Å; S472-I476 PolarHBondContact O-N 3.1Å; F473-I476 CarbonylContact O-C 3.52Å; F473-I476 PolarHBondContact O-N 3.06Å; I476-L479 CarbonylContact O-C 3.56Å; I476-L479 WeakPolarHBondContact O-CA 3.34Å; I476-L479 VanDerWaalsContact O-CB 3.3Å; I476-L479 WeakPolarHBondContact O-CB 3.38Å; I476-L479 PolarHBondContact O-N 3.34Å; I476-I480 HydrophobicContact CG2-CD1 3.66Å; I476-I480 HydrophobicContact CG2-CG1 4.11Å; I476-I480 VanDerWaalsContact O-CG1 3.3Å; I476-I480 WeakPolarHBondContact O-CG1 3.34Å; I476-I480 PolarHBondContact O-N 3.01Å
477	F	54.5	Low	51.3	Low	87 Å²	87	61.8 Å²	61.8	38%	0.382	29%	0.294	S	S	.	.	H	α-helix	trans	-72.7	-41.1	179.7	-110.1	-103.2	0	0	0	112.9	L453 L456 F473 R474 K475 L479 I480 Y481	L453-F477 HydrophobicContact CD2-CE2 3.54Å; L453-F477 HydrophobicContact CD2-CZ 3.59Å; L456-F477 HydrophobicContact CD2-CD2 3.44Å; L456-F477 VanDerWaalsContact CD2-CD2 3.44Å; L456-F477 HydrophobicContact CD2-CE2 2.95Å; L456-F477 HydrophobicContact CD2-CG 4.47Å; L456-F477 HydrophobicContact CD2-CZ 3.65Å; L456-F477 HydrophobicContact CG-CE2 4.42Å; F473-F477 WeakPolarHBondContact O-CB 3.18Å; F473-F477 PolarHBondContact O-N 3.42Å; R474-F477 PolarHBondContact O-N 3.39Å; K475-F477 VanDerWaalsContact C-N 3.28Å; K475-F477 PolarHBondContact O-N 3.01Å; F477-L479 PolarHBondContact O-N 2.72Å; F477-I480 PolarHBondContact O-N 2.91Å; F477-Y481 WeakPolarHBondContact O-CB 3.26Å; F477-Y481 PolarHBondContact O-N 3.07Å
478	S	52	Low	51.3	Low	72 Å²	72	65.3 Å²	65.3	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-56.8	-34.6	170.2	-173.7	0	0	0	0	110.3	R474 K475 L482	R474-S478 VanDerWaalsContact O-CB 3.3Å; R474-S478 WeakPolarHBondContact O-CB 3.19Å; R474-S478 PolarHBondContact O-N 3.34Å; K475-S478 PolarHBondContact O-N 3.01Å; S478-L482 VanDerWaalsContact O-CB 3.3Å; S478-L482 WeakPolarHBondContact O-CB 3.47Å; S478-L482 VanDerWaalsContact O-CD1 3.26Å; S478-L482 WeakPolarHBondContact O-CD1 3.26Å; S478-L482 WeakPolarHBondContact O-CG 3.41Å; S478-L482 PolarHBondContact O-N 3.08Å
479	L	48.8	Very low	51.2	Low	21 Å²	21	69.1 Å²	69.1	11%	0.11	33%	0.328	C	S	.	.	H	α-helix	trans	-75.1	-43.8	175.9	-82.3	152.9	0	0	0	113.6	M423 K439 K475 I476 F477 Y481 L482 L483	M423-L479 HydrophobicContact CB-CD1 3.81Å; M423-L479 HydrophobicContact CB-CD2 4.45Å; M423-L479 HydrophobicContact CE-CD1 3.84Å; M423-L479 HydrophobicContact CG-CD1 4.46Å; M423-L479 HydrophobicContact SD-CB 4.36Å; M423-L479 HydrophobicContact SD-CD1 3.83Å; M423-L479 HydrophobicContact SD-CG 4.49Å; K439-L479 HydrophobicContact CD-CD2 3.72Å; K439-L479 HydrophobicContact CG-CD2 4.3Å; K475-L479 WeakPolarHBondContact O-CB 3.39Å; K475-L479 WeakPolarHBondContact O-CD1 3.29Å; K475-L479 WeakPolarHBondContact O-CG 3.43Å; K475-L479 PolarHBondContact O-N 3.46Å; I476-L479 CarbonylContact O-C 3.56Å; I476-L479 WeakPolarHBondContact O-CA 3.34Å; I476-L479 VanDerWaalsContact O-CB 3.3Å; I476-L479 WeakPolarHBondContact O-CB 3.38Å; I476-L479 PolarHBondContact O-N 3.34Å; F477-L479 PolarHBondContact O-N 2.72Å; L479-Y481 VanDerWaalsContact C-N 3.32Å; L479-L482 PolarHBondContact O-N 3.11Å; L479-L483 PolarHBondContact O-N 3.22Å
480	I	50.4	Low	51.2	Low	46 Å²	46	73.9 Å²	73.9	24%	0.236	35%	0.351	C	S	.	.	H	α-helix	trans	-64.9	-37.7	175.8	-70.7	170.9	0	0	0	110.5	L453 I476 F477 L482 L483	L453-I480 HydrophobicContact CD2-CD1 4.41Å; I476-I480 HydrophobicContact CG2-CD1 3.66Å; I476-I480 HydrophobicContact CG2-CG1 4.11Å; I476-I480 VanDerWaalsContact O-CG1 3.3Å; I476-I480 WeakPolarHBondContact O-CG1 3.34Å; I476-I480 PolarHBondContact O-N 3.01Å; F477-I480 PolarHBondContact O-N 2.91Å; I480-L482 VanDerWaalsContact C-N 3.33Å; I480-L483 PolarHBondContact O-N 3.31Å
481	Y	47.2	Very low	51.1	Low	203 Å²	203	78 Å²	78	80%	0.796	37%	0.366	S	S	*	.	H	α-helix	trans	-73.2	-25.7	177.3	-171	-93.6	0	0	0	112.7	F477 L479 L483	F477-Y481 WeakPolarHBondContact O-CB 3.26Å; F477-Y481 PolarHBondContact O-N 3.07Å; L479-Y481 VanDerWaalsContact C-N 3.32Å; Y481-L483 VanDerWaalsContact C-N 3.32Å
482	L	41.6	Very low	50.9	Low	133 Å²	133	81.8 Å²	81.8	70%	0.696	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.9	175.6	-85	168.6	0	0	0	113.5	S478 L479 I480	S478-L482 VanDerWaalsContact O-CB 3.3Å; S478-L482 WeakPolarHBondContact O-CB 3.47Å; S478-L482 VanDerWaalsContact O-CD1 3.26Å; S478-L482 WeakPolarHBondContact O-CD1 3.26Å; S478-L482 WeakPolarHBondContact O-CG 3.41Å; S478-L482 PolarHBondContact O-N 3.08Å; L479-L482 PolarHBondContact O-N 3.11Å; I480-L482 VanDerWaalsContact C-N 3.33Å
483	L	41.2	Very low	50.6	Low	148 Å²	148	89.1 Å²	89.1	78%	0.775	42%	0.417	S	S	*	.			trans	-101.8	0	175.6	-73.7	161.3	0	0	0	110.3	L443 L479 I480 Y481	L443-L483 HydrophobicContact CB-CD1 4.49Å; L443-L483 HydrophobicContact CD1-CD1 2.99Å; L443-L483 HydrophobicContact CD1-CG 4.5Å; L443-L483 HydrophobicContact CG-CD1 4.31Å; L479-L483 PolarHBondContact O-N 3.22Å; I480-L483 PolarHBondContact O-N 3.31Å; Y481-L483 VanDerWaalsContact C-N 3.32Å

Retrieved 483 of 483 residues in 848.7 ms (Link to these results)

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