A0A3Q0KKS7_SCHMA Loading...

Putative glycerol kinase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKS7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 628 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	32.3	Very low	226 Å²	226	150.8 Å²	150.8	100%	1.113	84%	0.843	S	S	*	*				0	98.6	0	-77.3	174.9	178.3	0	0	107.9
2	H	32.1	Very low	31.9	Very low	197 Å²	197	154.3 Å²	154.3	91%	0.912	85%	0.848	S	S	*	*			trans	-84.2	110.9	174.2	-82.5	-38.7	0	0	0	108.7	S4	H2-S4 PolarHBondContact O-N 3.22Å
3	F	33.7	Very low	32.1	Very low	201 Å²	201	156.5 Å²	156.5	88%	0.882	84%	0.835	S	S	*	*			trans	-77.3	96.8	166.4	-88.2	-88.1	0	0	0	108.2	G5	F3-G5 PolarHBondContact O-N 3.27Å
4	S	34	Very low	32.1	Very low	109 Å²	109	157.3 Å²	157.3	76%	0.762	84%	0.84	S	S	*	*			trans	-73	102	164.1	53.8	0	0	0	0	108.3	H2 T6	H2-S4 PolarHBondContact O-N 3.22Å; S4-T6 PolarHBondContact O-N 3.32Å
5	G	33.5	Very low	32.4	Very low	73 Å²	73	157.6 Å²	157.6	75%	0.753	83%	0.834	S	S	*	*			trans	-67.5	110.6	169.5	0	0	0	0	0	109.6	F3 M7	F3-G5 PolarHBondContact O-N 3.27Å; G5-M7 PolarHBondContact O-N 3.22Å
6	T	33.7	Very low	33.2	Very low	134 Å²	134	153.3 Å²	153.3	82%	0.822	82%	0.816	S	S	*	*			trans	-60.1	112.6	167.3	18.8	0	0	0	0	108.9	S4 C8	S4-T6 PolarHBondContact O-N 3.32Å; T6-C8 PolarHBondContact O-N 3.23Å; T6-C8 VanDerWaalsContact O-N 3.08Å
7	M	29.7	Very low	34.6	Very low	187 Å²	187	147.8 Å²	147.8	92%	0.921	79%	0.789	S	S	*	*			trans	-60.8	108.1	164	-86.7	-173.1	152.5	0	0	108.2	G5 A9	G5-M7 PolarHBondContact O-N 3.22Å; M7-A9 PolarHBondContact O-N 2.84Å; M7-A9 VanDerWaalsContact O-N 3.11Å
8	C	30.2	Very low	36.5	Very low	120 Å²	120	140.9 Å²	140.9	81%	0.811	76%	0.755	S	S	*	*			trans	-58.1	113.4	164.3	-89.7	0	0	0	0	108.6	T6 Y10	T6-C8 PolarHBondContact O-N 3.23Å; T6-C8 VanDerWaalsContact O-N 3.08Å; C8-Y10 PolarHBondContact O-N 2.86Å
9	A	31.4	Very low	39.2	Very low	94 Å²	94	139.6 Å²	139.6	78%	0.777	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-63.3	118.4	169.3	0	0	0	0	0	108.7	M7	M7-A9 PolarHBondContact O-N 2.84Å; M7-A9 VanDerWaalsContact O-N 3.11Å
10	Y	28.7	Very low	42	Very low	212 Å²	212	134.4 Å²	134.4	83%	0.831	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-58.5	128	170.6	-86.8	-91.1	0	0	0	109.7	C8 Q12	C8-Y10 PolarHBondContact O-N 2.86Å; Y10-Q12 PolarHBondContact O-N 3.48Å
11	P	30.7	Very low	44.7	Very low	106 Å²	106	128 Å²	128	69%	0.688	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-66.1	123.4	178	23.3	-29.2	0	0	0	110.3	R13	P11-R13 PolarHBondContact O-N 3.28Å
12	Q	28.3	Very low	47.6	Very low	193 Å²	193	117.2 Å²	117.2	90%	0.902	63%	0.625	S	S	*	*			trans	-64.5	96.2	173.3	-75.3	-179.6	-23.9	0	0	109.6	Y10 N14	Y10-Q12 PolarHBondContact O-N 3.48Å; Q12-N14 PolarHBondContact O-N 3.08Å
13	R	33.7	Very low	50.7	Low	182 Å²	182	107.8 Å²	107.8	69%	0.687	58%	0.582	S	S	*	*			trans	-56.3	131.4	160.9	-118.7	179.8	-177.5	171.3	1.5	107.8	P11 Q15	P11-R13 PolarHBondContact O-N 3.28Å; R13-Q15 VanDerWaalsContact C-N 3.31Å; R13-Q15 WeakPolarHBondContact O-CG 3.36Å; R13-Q15 PolarHBondContact O-N 3.2Å
14	N	32.5	Very low	53.8	Low	168 Å²	168	98.2 Å²	98.2	90%	0.898	54%	0.54	S	S	*	.			trans	-53.9	93.7	172.3	-88.6	-23	0	0	0	110.2	Q12 T16	Q12-N14 PolarHBondContact O-N 3.08Å; N14-T16 PolarHBondContact O-N 3.11Å; N14-T16 VanDerWaalsContact O-N 3.11Å
15	Q	36.7	Very low	56.9	Low	162 Å²	162	93.7 Å²	93.7	76%	0.757	51%	0.507	S	S	*	.			trans	-81.5	80.2	-172.7	-95.2	-173.2	3	0	0	109.9	R13 V17	R13-Q15 VanDerWaalsContact C-N 3.31Å; R13-Q15 WeakPolarHBondContact O-CG 3.36Å; R13-Q15 PolarHBondContact O-N 3.2Å; Q15-V17 HydrophobicContact CB-CG2 3.56Å; Q15-V17 HydrophobicContact CG-CG2 3.76Å; Q15-V17 PolarHBondContact O-N 3.39Å
16	T	44.6	Very low	59.9	Low	89 Å²	89	90.3 Å²	90.3	55%	0.546	47%	0.472	S	S	.	.			trans	-71.7	73.2	143.3	48.6	0	0	0	0	106.5	N14 S18	N14-T16 PolarHBondContact O-N 3.11Å; N14-T16 VanDerWaalsContact O-N 3.11Å; T16-S18 PolarHBondContact O-N 2.87Å
17	V	57.7	Low	62.7	Low	59 Å²	59	84.2 Å²	84.2	36%	0.358	44%	0.435	S	S	.	.			trans	-53	115	-179.4	-171.6	0	0	0	0	106.7	Q15 K19	Q15-V17 HydrophobicContact CB-CG2 3.56Å; Q15-V17 HydrophobicContact CG-CG2 3.76Å; Q15-V17 PolarHBondContact O-N 3.39Å; V17-K19 HydrophobicContact CB-CG 4.38Å; V17-K19 WeakPolarHBondContact O-CG 3.26Å; V17-K19 PolarHBondContact O-N 3.38Å
18	S	68.9	Low	65.4	Low	24 Å²	24	76.6 Å²	76.6	17%	0.168	40%	0.401	C	S	.	.			trans	-61.5	117.4	164.3	45.2	0	0	0	0	106.8	T16 M38 R88 N90	T16-S18 PolarHBondContact O-N 2.87Å; S18-M38 VanDerWaalsContact O-CE 3.26Å; S18-M38 WeakPolarHBondContact O-CE 3.28Å; S18-R88 CarbonylContact C-O 3.55Å; S18-R88 WeakPolarHBondContact CA-O 3.36Å; S18-N90 PolarHBondContact O-ND2 3.17Å; S18-N90 PolarHBondContact OG-ND2 2.79Å
19	K	86.9	Confident	68	Low	116 Å²	116	75 Å²	75	50%	0.504	39%	0.387	S	S	.	.			trans	-103.7	-7.4	-163.4	-57.5	-161.7	178.5	179.3	0	114	V17 M38 R88	V17-K19 HydrophobicContact CB-CG 4.38Å; V17-K19 WeakPolarHBondContact O-CG 3.26Å; V17-K19 PolarHBondContact O-N 3.38Å; K19-M38 WeakPolarHBondContact O-CG 3.42Å; K19-R88 PolarHBondContact N-O 2.9Å
20	F	96.5	Very high	70.9	Confident	35 Å²	35	73.2 Å²	73.2	15%	0.154	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.6	-167.3	-56.3	-77.9	0	0	0	112.9	V35 Y36 T37 V43 I84 R88 I89 N90	F20-V35 HydrophobicContact CB-CG1 3.71Å; F20-V35 HydrophobicContact CD1-CG1 4.06Å; F20-V35 HydrophobicContact CG-CG1 3.97Å; F20-Y36 CarbonylContact C-O 3.57Å; F20-Y36 WeakPolarHBondContact CA-O 3.11Å; F20-Y36 WeakPolarHBondContact CB-O 3.29Å; F20-Y36 WeakPolarHBondContact CD1-O 3.46Å; F20-T37 HydrophobicContact CD1-CG2 4.2Å; F20-T37 HydrophobicContact CE1-CG2 3.89Å; F20-V43 HydrophobicContact CD1-CG2 3.8Å; F20-V43 HydrophobicContact CE1-CG2 3.77Å; F20-I84 HydrophobicContact CB-CD1 4.27Å; F20-I84 HydrophobicContact CD2-CD1 3.67Å; F20-I84 HydrophobicContact CD2-CG2 4.34Å; F20-I84 HydrophobicContact CE2-CD1 4.21Å; F20-I84 HydrophobicContact CE2-CG2 3.79Å; F20-I84 HydrophobicContact CG-CD1 4.04Å; F20-I84 HydrophobicContact CZ-CG2 4.28Å; F20-R88 HydrophobicContact CD2-CB 3.91Å; F20-R88 HydrophobicContact CE2-CB 4.23Å; F20-R88 PolarHBondContact N-O 3.48Å; F20-I89 HydrophobicContact CB-CD1 3.99Å; F20-N90 WeakPolarHBondContact O-CB 3.37Å; F20-N90 PolarHBondContact O-N 2.96Å
21	I	97.7	Very high	74.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.2	175.6	-52.9	168.1	0	0	0	107.1	Y36 M38 L40 A535 A538 L544 W545	I21-Y36 PolarHBondContact N-O 2.89Å; I21-Y36 PolarHBondContact O-N 3.41Å; I21-M38 HydrophobicContact CD1-SD 4.32Å; I21-M38 HydrophobicContact CG1-SD 4.2Å; I21-L40 HydrophobicContact CD1-CD2 4.41Å; I21-A535 HydrophobicContact CG2-CB 3.8Å; I21-A535 WeakPolarHBondContact CG2-O 3.14Å; I21-A538 HydrophobicContact CG2-CB 4.22Å; I21-L544 HydrophobicContact CD1-CD1 3.51Å; I21-L544 HydrophobicContact CG1-CD1 3.67Å; I21-W545 HydrophobicContact CD1-CH2 3.36Å; I21-W545 HydrophobicContact CD1-CZ2 4.45Å; I21-W545 HydrophobicContact CD1-CZ3 3.63Å
22	L	98.1	Very high	77.3	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.9	176.9	-175.7	63.9	0	0	0	109.5	V24 V35 L75 I89 C91 I92 G93 L263	L22-V24 HydrophobicContact CG-CG2 4.4Å; L22-V35 HydrophobicContact CD1-CG2 3.89Å; L22-L75 HydrophobicContact CD1-CD2 4.46Å; L22-L75 HydrophobicContact CD2-CD2 3.76Å; L22-L75 HydrophobicContact CG-CD2 4.26Å; L22-I89 HydrophobicContact CB-CD1 4.35Å; L22-I89 HydrophobicContact CB-CG2 3.98Å; L22-C91 PolarHBondContact N-O 3.33Å; L22-I92 HydrophobicContact CB-CB 4.3Å; L22-I92 HydrophobicContact CB-CG1 4.21Å; L22-I92 HydrophobicContact CD2-CB 4.5Å; L22-I92 HydrophobicContact CD2-CD1 3.88Å; L22-I92 HydrophobicContact CD2-CG1 4.11Å; L22-I92 HydrophobicContact CG-CD1 4.36Å; L22-I92 HydrophobicContact CG-CG1 4.17Å; L22-I92 CarbonylContact O-C 3.49Å; L22-I92 WeakPolarHBondContact O-CA 3.5Å; L22-G93 PolarHBondContact O-N 2.9Å; L22-L263 HydrophobicContact CD2-CD1 3.58Å; L22-L263 HydrophobicContact CD2-CD2 4.12Å; L22-L263 HydrophobicContact CD2-CG 4.37Å
23	G	98.5	Very high	80.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.3	174.3	0	0	0	0	0	110.6	A33 R34	G23-A33 CarbonylContact O-C 3.59Å; G23-A33 WeakPolarHBondContact O-CA 3.47Å; G23-R34 PolarHBondContact N-O 3.29Å; G23-R34 PolarHBondContact O-N 2.9Å
24	V	98.5	Very high	83.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.6	177.9	-168.3	0	0	0	0	109.3	L22 C32 A33 F71 L75 I92 G93 S95	L22-V24 HydrophobicContact CG-CG2 4.4Å; V24-C32 WeakPolarHBondContact CA-O 3.5Å; V24-C32 VanDerWaalsContact CG1-O 3.3Å; V24-C32 WeakPolarHBondContact CG1-O 3.41Å; V24-A33 HydrophobicContact CG1-CB 4.37Å; V24-A33 HydrophobicContact CG2-CB 4.1Å; V24-F71 HydrophobicContact CB-CE2 4.14Å; V24-F71 HydrophobicContact CG1-CD2 4Å; V24-F71 HydrophobicContact CG1-CE2 3.57Å; V24-F71 HydrophobicContact CG1-CZ 4.45Å; V24-F71 HydrophobicContact CG2-CE2 4.27Å; V24-F71 HydrophobicContact CG2-CZ 4.4Å; V24-L75 HydrophobicContact CG2-CD2 3.45Å; V24-L75 VanDerWaalsContact CG2-CD2 3.45Å; V24-I92 HydrophobicContact CG2-CD1 4.09Å; V24-I92 HydrophobicContact CG2-CG1 4.37Å; V24-G93 PolarHBondContact N-O 3.42Å; V24-S95 WeakPolarHBondContact O-CB 3.35Å; V24-S95 PolarHBondContact O-N 3.26Å
25	D	98.3	Very high	86.8	Confident	13 Å²	13	33.8 Å²	33.8	7%	0.07	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.8	168.3	-177.9	48.3	0	0	0	109.6	A31 C32 S95 S530 C531	D25-A31 CarbonylContact O-C 3.46Å; D25-A31 WeakPolarHBondContact O-CA 3.38Å; D25-A31 WeakPolarHBondContact O-CB 3.15Å; D25-C32 PolarHBondContact N-O 3.03Å; D25-C32 PolarHBondContact O-N 2.84Å; D25-S95 CarbonylContact C-O 3.59Å; D25-S95 WeakPolarHBondContact CA-O 3.35Å; D25-S95 VanDerWaalsContact OD1-CB 3.29Å; D25-S95 WeakPolarHBondContact OD1-CB 3.45Å; D25-S95 PolarHBondContact OD1-OG 3.35Å; D25-S530 WeakPolarHBondContact OD1-CB 3.25Å; D25-S530 VanDerWaalsContact OD2-CB 3.23Å; D25-S530 WeakPolarHBondContact OD2-CB 3.32Å; D25-C531 HydrophobicContact CB-CB 4.29Å; D25-C531 VanDerWaalsContact CB-SG 3.56Å; D25-C531 PolarHBondContact N-SG 3.4Å
26	F	97	Very high	89.8	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	80.9	176.1	-149.1	-73.9	0	0	0	110.1	A31 V50 V67 F71 S95 V96 Q97 L196 L200	F26-A31 HydrophobicContact CD1-CB 4.37Å; F26-A31 HydrophobicContact CD2-CB 3.86Å; F26-A31 HydrophobicContact CE2-CB 4.09Å; F26-A31 HydrophobicContact CG-CB 4.03Å; F26-A31 HydrophobicContact CZ-CB 4.43Å; F26-V50 HydrophobicContact CD1-CG2 4.34Å; F26-V50 HydrophobicContact CE1-CG1 3.9Å; F26-V50 HydrophobicContact CE1-CG2 3.81Å; F26-V50 HydrophobicContact CZ-CG2 4.23Å; F26-V67 HydrophobicContact CE1-CG1 4.08Å; F26-V67 HydrophobicContact CE1-CG2 4.22Å; F26-V67 HydrophobicContact CE2-CG1 4.22Å; F26-V67 HydrophobicContact CZ-CB 4.23Å; F26-V67 HydrophobicContact CZ-CG1 3.79Å; F26-V67 HydrophobicContact CZ-CG2 4.18Å; F26-F71 HydrophobicContact CD2-CB 4.43Å; F26-F71 HydrophobicContact CD2-CD2 4.1Å; F26-F71 HydrophobicContact CE2-CB 4.14Å; F26-S95 PolarHBondContact N-O 2.87Å; F26-V96 HydrophobicContact CB-CG1 4.24Å; F26-Q97 PolarHBondContact O-N 3.11Å; F26-L196 HydrophobicContact CD1-CD1 4.18Å; F26-L200 HydrophobicContact CB-CD1 4.42Å
27	G	92.3	Very high	92.2	Very high	6 Å²	6	23.3 Å²	23.3	6%	0.062	12%	0.124	C	C	.	.			trans	-76.2	-173.3	-179.4	0	0	0	0	0	114.4	H30 Q97	G27-H30 CarbonylContact C-O 3.57Å; G27-H30 WeakPolarHBondContact CA-O 3.43Å; G27-H30 PolarHBondContact N-O 2.95Å; G27-Q97 PolarHBondContact O-NE2 3.42Å
28	S	86.2	Confident	93.8	Very high	28 Å²	28	23.6 Å²	23.6	20%	0.196	12%	0.122	C	C	.	.	S	Bend	trans	-84.4	-31.8	-176.5	54.9	0	0	0	0	114.9	R52	S28-R52 PolarHBondContact O-NH1 3.48Å
29	T	84.8	Confident	94.9	Very high	86 Å²	86	25.9 Å²	25.9	53%	0.528	13%	0.133	S	C	.	.	S	Bend	trans	-114.1	-31.1	-179.8	-61.4	0	0	0	0	111.5	V50 R52	T29-V50 PolarHBondContact O-N 3.22Å; T29-R52 PolarHBondContact OG1-NH1 2.97Å; T29-R52 VanDerWaalsContact OG1-NH1 3.12Å
30	H	91.7	Very high	95.2	Very high	56 Å²	56	20.4 Å²	20.4	26%	0.259	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145.8	-174.6	176.4	57.7	0	0	0	109	G27 S47 T48 E528	G27-H30 CarbonylContact C-O 3.57Å; G27-H30 WeakPolarHBondContact CA-O 3.43Å; G27-H30 PolarHBondContact N-O 2.95Å; H30-S47 WeakPolarHBondContact CE1-CB 3.32Å; H30-T48 WeakPolarHBondContact CA-O 3.38Å; H30-T48 PolarHBondContact ND1-O 3.1Å; H30-E528 IonicContact NE2-OE1 3.29Å
31	A	96.4	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139	167.6	0	0	0	0	0	109.5	D25 F26 S47 T48 V50 L74	D25-A31 CarbonylContact O-C 3.46Å; D25-A31 WeakPolarHBondContact O-CA 3.38Å; D25-A31 WeakPolarHBondContact O-CB 3.15Å; F26-A31 HydrophobicContact CD1-CB 4.37Å; F26-A31 HydrophobicContact CD2-CB 3.86Å; F26-A31 HydrophobicContact CE2-CB 4.09Å; F26-A31 HydrophobicContact CG-CB 4.03Å; F26-A31 HydrophobicContact CZ-CB 4.43Å; A31-S47 WeakPolarHBondContact O-CA 3.15Å; A31-T48 HydrophobicContact CB-CG2 4.32Å; A31-T48 PolarHBondContact N-O 3.46Å; A31-T48 PolarHBondContact O-N 3.07Å; A31-V50 HydrophobicContact CB-CG2 3.77Å; A31-L74 HydrophobicContact CB-CD1 3.6Å
32	C	97.8	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.5	179.4	59.4	0	0	0	0	111.7	V24 D25 S46 E528 C531	V24-C32 WeakPolarHBondContact CA-O 3.5Å; V24-C32 VanDerWaalsContact CG1-O 3.3Å; V24-C32 WeakPolarHBondContact CG1-O 3.41Å; D25-C32 PolarHBondContact N-O 3.03Å; D25-C32 PolarHBondContact O-N 2.84Å; C32-S46 WeakPolarHBondContact CA-O 3.08Å; C32-E528 HydrophobicContact CB-CG 4.5Å; C32-C531 WeakPolarHBondContact CB-SG 3.44Å; C32-C531 PolarHBondContact O-SG 3.02Å; C32-C531 WeakPolarHBondContact SG-CB 3.23Å; C32-C531 CovalentContact SG-SG 2.08Å; C32-C531 PolarHBondContact SG-SG 2.74Å
33	A	98.6	Very high	95	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.2	157.5	0	0	0	0	0	109.8	G23 V24 S46 L74 L75 A78	G23-A33 CarbonylContact O-C 3.59Å; G23-A33 WeakPolarHBondContact O-CA 3.47Å; V24-A33 HydrophobicContact CG1-CB 4.37Å; V24-A33 HydrophobicContact CG2-CB 4.1Å; A33-S46 WeakPolarHBondContact CB-OG 3.32Å; A33-S46 PolarHBondContact N-O 2.87Å; A33-S46 PolarHBondContact O-N 3.33Å; A33-L74 HydrophobicContact CB-CB 4.14Å; A33-L75 HydrophobicContact CB-CD2 4.16Å; A33-A78 HydrophobicContact CB-CB 3.96Å
34	R	98.4	Very high	94.9	Very high	33 Å²	33	29.3 Å²	29.3	13%	0.125	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.3	-178.8	-58.6	-65.3	175.9	168.4	0.4	109.5	G23 Y36 G44 C45 E528 C531	G23-R34 PolarHBondContact N-O 3.29Å; G23-R34 PolarHBondContact O-N 2.9Å; R34-Y36 HydrophobicContact CB-CD2 4.14Å; R34-Y36 HydrophobicContact CB-CE1 4.31Å; R34-Y36 HydrophobicContact CB-CE2 3.35Å; R34-Y36 VanDerWaalsContact CB-CZ 3.42Å; R34-Y36 WeakPolarHBondContact CB-OH 3.39Å; R34-Y36 HydrophobicContact CG-CE2 4.37Å; R34-Y36 WeakPolarHBondContact CG-OH 3.32Å; R34-G44 WeakPolarHBondContact CA-O 3.46Å; R34-C45 PolarHBondContact NH1-SG 3.02Å; R34-E528 IonicContact NH2-OE1 3.02Å; R34-E528 PolarHBondContact NH2-OE1 3.02Å; R34-C531 HydrophobicContact CG-CB 3.93Å
35	V	98.3	Very high	94.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.2	169.9	-178.1	0	0	0	0	107.8	F20 L22 V43 G44 A78 L79 A82 I84 I89	F20-V35 HydrophobicContact CB-CG1 3.71Å; F20-V35 HydrophobicContact CD1-CG1 4.06Å; F20-V35 HydrophobicContact CG-CG1 3.97Å; L22-V35 HydrophobicContact CD1-CG2 3.89Å; V35-V43 HydrophobicContact CB-CG2 3.95Å; V35-V43 HydrophobicContact CG1-CG2 3.55Å; V35-V43 WeakPolarHBondContact O-CG2 3.16Å; V35-V43 PolarHBondContact O-N 3.41Å; V35-G44 PolarHBondContact N-O 2.88Å; V35-G44 PolarHBondContact O-N 3.36Å; V35-A78 HydrophobicContact CG2-CB 4.23Å; V35-A78 WeakPolarHBondContact CG2-O 3.33Å; V35-L79 HydrophobicContact CG2-CD2 4.42Å; V35-A82 HydrophobicContact CB-CB 4Å; V35-A82 HydrophobicContact CG1-CB 4.11Å; V35-A82 HydrophobicContact CG2-CB 4Å; V35-I84 HydrophobicContact CG1-CD1 3.63Å; V35-I84 HydrophobicContact CG2-CD1 4.49Å; V35-I89 HydrophobicContact CG1-CD1 4.25Å
36	Y	97.8	Very high	94.9	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.1	-179.8	-61.7	-85.8	0	0	0	111.4	F20 I21 R34 L40 K41 V42 L532 A535	F20-Y36 CarbonylContact C-O 3.57Å; F20-Y36 WeakPolarHBondContact CA-O 3.11Å; F20-Y36 WeakPolarHBondContact CB-O 3.29Å; F20-Y36 WeakPolarHBondContact CD1-O 3.46Å; I21-Y36 PolarHBondContact N-O 2.89Å; I21-Y36 PolarHBondContact O-N 3.41Å; R34-Y36 HydrophobicContact CB-CD2 4.14Å; R34-Y36 HydrophobicContact CB-CE1 4.31Å; R34-Y36 HydrophobicContact CB-CE2 3.35Å; R34-Y36 VanDerWaalsContact CB-CZ 3.42Å; R34-Y36 WeakPolarHBondContact CB-OH 3.39Å; R34-Y36 HydrophobicContact CG-CE2 4.37Å; R34-Y36 WeakPolarHBondContact CG-OH 3.32Å; Y36-L40 HydrophobicContact CG-CD2 4.49Å; Y36-K41 CarbonylContact C-O 3.55Å; Y36-K41 VanDerWaalsContact CA-O 3.26Å; Y36-K41 WeakPolarHBondContact CA-O 3.45Å; Y36-V42 HydrophobicContact CD1-CG2 3.86Å; Y36-V42 HydrophobicContact CE1-CB 4.49Å; Y36-V42 HydrophobicContact CE1-CG2 3.38Å; Y36-L532 HydrophobicContact CD1-CD1 4.19Å; Y36-L532 HydrophobicContact CE1-CB 4.49Å; Y36-L532 HydrophobicContact CE1-CD1 3.7Å; Y36-L532 WeakPolarHBondContact OH-CA 3.5Å; Y36-L532 PolarHBondContact OH-N 3.16Å; Y36-A535 HydrophobicContact CD2-CB 3.49Å; Y36-A535 VanDerWaalsContact CD2-CB 3.49Å; Y36-A535 HydrophobicContact CE2-CB 3.64Å; Y36-A535 HydrophobicContact CG-CB 4.32Å
37	T	95.6	Very high	95	Very high	26 Å²	26	33.8 Å²	33.8	16%	0.16	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	170.3	161.1	53.4	0	0	0	0	111.4	F20 D39 L40 K41 V43	F20-T37 HydrophobicContact CD1-CG2 4.2Å; F20-T37 HydrophobicContact CE1-CG2 3.89Å; T37-D39 WeakPolarHBondContact CB-OD1 3.32Å; T37-D39 PolarHBondContact O-N 3.34Å; T37-D39 VanDerWaalsContact O-N 3.16Å; T37-D39 PolarHBondContact OG1-OD1 3.25Å; T37-L40 WeakPolarHBondContact O-CA 3.29Å; T37-L40 PolarHBondContact O-N 3.24Å; T37-K41 HydrophobicContact CG2-CB 4.47Å; T37-K41 PolarHBondContact N-O 3.37Å; T37-K41 VanDerWaalsContact OG1-CB 3.23Å; T37-K41 WeakPolarHBondContact OG1-CB 3.41Å; T37-K41 PolarHBondContact OG1-N 2.94Å; T37-K41 PolarHBondContact OG1-O 3.19Å; T37-V43 HydrophobicContact CG2-CG1 3.73Å
38	M	91.8	Very high	95.2	Very high	65 Å²	65	35.3 Å²	35.3	32%	0.32	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.6	176.1	-63.5	-56.7	-169.6	0	0	114.6	S18 K19 I21 N90 L544 W545	S18-M38 VanDerWaalsContact O-CE 3.26Å; S18-M38 WeakPolarHBondContact O-CE 3.28Å; K19-M38 WeakPolarHBondContact O-CG 3.42Å; I21-M38 HydrophobicContact CD1-SD 4.32Å; I21-M38 HydrophobicContact CG1-SD 4.2Å; M38-N90 HydrophobicContact CE-CB 3.89Å; M38-L544 HydrophobicContact CE-CD1 4.04Å; M38-L544 HydrophobicContact CE-CD2 3.76Å; M38-L544 HydrophobicContact SD-CD1 3.51Å; M38-L544 VanDerWaalsContact SD-CD1 3.51Å; M38-L544 HydrophobicContact SD-CD2 3.91Å; M38-L544 HydrophobicContact SD-CG 4.3Å; M38-W545 WeakPolarHBondContact O-CZ2 3.42Å
39	D	91.4	Very high	95.6	Very high	73 Å²	73	42.4 Å²	42.4	39%	0.39	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	12	171.3	64.6	-32	0	0	0	112.8	T37 R558	T37-D39 WeakPolarHBondContact CB-OD1 3.32Å; T37-D39 PolarHBondContact O-N 3.34Å; T37-D39 VanDerWaalsContact O-N 3.16Å; T37-D39 PolarHBondContact OG1-OD1 3.25Å; D39-R558 WeakPolarHBondContact O-CD 3.45Å; D39-R558 PolarHBondContact O-NE 3.45Å; D39-R558 WeakPolarHBondContact OD2-CD 3.12Å
40	L	94.4	Very high	95.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.203	C	C	.	.			trans	66.1	32.9	177.3	-59.3	164.3	0	0	0	114.3	I21 Y36 T37 L532 A535 I536 W545 L555 R558	I21-L40 HydrophobicContact CD1-CD2 4.41Å; Y36-L40 HydrophobicContact CG-CD2 4.49Å; T37-L40 WeakPolarHBondContact O-CA 3.29Å; T37-L40 PolarHBondContact O-N 3.24Å; L40-L532 HydrophobicContact CB-CD1 4.05Å; L40-L532 HydrophobicContact CD1-CD1 4.4Å; L40-L532 HydrophobicContact CD2-CD1 3.94Å; L40-L532 HydrophobicContact CG-CD1 4.36Å; L40-A535 HydrophobicContact CD2-CB 4.3Å; L40-I536 HydrophobicContact CD1-CD1 4.26Å; L40-I536 HydrophobicContact CD1-CG1 3.72Å; L40-I536 HydrophobicContact CD2-CG1 4.3Å; L40-W545 HydrophobicContact CD1-CH2 3.95Å; L40-W545 HydrophobicContact CD1-CZ2 4.09Å; L40-W545 HydrophobicContact CD2-CH2 3.68Å; L40-W545 HydrophobicContact CD2-CZ2 4.45Å; L40-W545 HydrophobicContact CD2-CZ3 4.43Å; L40-W545 HydrophobicContact CG-CH2 3.71Å; L40-W545 HydrophobicContact CG-CZ2 3.99Å; L40-L555 HydrophobicContact CB-CD1 3.98Å; L40-L555 HydrophobicContact CD1-CB 3.84Å; L40-L555 HydrophobicContact CD1-CD1 4.45Å; L40-R558 PolarHBondContact O-NE 3.25Å; L40-R558 PolarHBondContact O-NH2 3.42Å
41	K	94.2	Very high	95.8	Very high	105 Å²	105	40.1 Å²	40.1	46%	0.457	22%	0.217	S	C	.	.			trans	-85.3	131.8	167	-170.5	178.2	179.3	173.6	0	109.6	Y36 T37 V43	Y36-K41 CarbonylContact C-O 3.55Å; Y36-K41 VanDerWaalsContact CA-O 3.26Å; Y36-K41 WeakPolarHBondContact CA-O 3.45Å; T37-K41 HydrophobicContact CG2-CB 4.47Å; T37-K41 PolarHBondContact N-O 3.37Å; T37-K41 VanDerWaalsContact OG1-CB 3.23Å; T37-K41 WeakPolarHBondContact OG1-CB 3.41Å; T37-K41 PolarHBondContact OG1-N 2.94Å; T37-K41 PolarHBondContact OG1-O 3.19Å; K41-V43 PolarHBondContact O-N 3.46Å
42	V	95.6	Very high	95.6	Very high	64 Å²	64	43.9 Å²	43.9	39%	0.388	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127	177	-177.6	0	0	0	0	109.6	Y36 C45	Y36-V42 HydrophobicContact CD1-CG2 3.86Å; Y36-V42 HydrophobicContact CE1-CB 4.49Å; Y36-V42 HydrophobicContact CE1-CG2 3.38Å; V42-C45 WeakPolarHBondContact CG1-SG 3.38Å
43	V	96.7	Very high	95.5	Very high	53 Å²	53	47.4 Å²	47.4	32%	0.321	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-16.3	174.3	-65.1	0	0	0	0	113.4	F20 V35 T37 K41 A82	F20-V43 HydrophobicContact CD1-CG2 3.8Å; F20-V43 HydrophobicContact CE1-CG2 3.77Å; V35-V43 HydrophobicContact CB-CG2 3.95Å; V35-V43 HydrophobicContact CG1-CG2 3.55Å; V35-V43 WeakPolarHBondContact O-CG2 3.16Å; V35-V43 PolarHBondContact O-N 3.41Å; T37-V43 HydrophobicContact CG2-CG1 3.73Å; K41-V43 PolarHBondContact O-N 3.46Å; V43-A82 HydrophobicContact CG2-CB 4.23Å; V43-A82 WeakPolarHBondContact O-CA 3.24Å
44	G	97.8	Very high	95.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	146.9	175.1	0	0	0	0	0	112.2	R34 V35 D81	R34-G44 WeakPolarHBondContact CA-O 3.46Å; V35-G44 PolarHBondContact N-O 2.88Å; V35-G44 PolarHBondContact O-N 3.36Å; G44-D81 WeakPolarHBondContact CA-OD2 3.3Å
45	C	98.2	Very high	95.1	Very high	30 Å²	30	56.7 Å²	56.7	20%	0.203	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	129	-168.2	-58.9	0	0	0	0	111.4	R34 V42 D81	R34-C45 PolarHBondContact NH1-SG 3.02Å; V42-C45 WeakPolarHBondContact CG1-SG 3.38Å; C45-D81 WeakPolarHBondContact CB-OD2 3.49Å; C45-D81 PolarHBondContact N-OD2 3.47Å
46	S	98.4	Very high	94.9	Very high	6 Å²	6	63.6 Å²	63.6	4%	0.042	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.8	163.8	72.2	0	0	0	0	110.9	C32 A33 L74	C32-S46 WeakPolarHBondContact CA-O 3.08Å; A33-S46 WeakPolarHBondContact CB-OG 3.32Å; A33-S46 PolarHBondContact N-O 2.87Å; A33-S46 PolarHBondContact O-N 3.33Å; S46-L74 VanDerWaalsContact CB-O 3.31Å; S46-L74 WeakPolarHBondContact CB-O 3.21Å; S46-L74 WeakPolarHBondContact OG-CA 3.42Å; S46-L74 WeakPolarHBondContact OG-CD2 3.37Å; S46-L74 PolarHBondContact OG-O 3.48Å
47	S	97.9	Very high	94.7	Very high	72 Å²	72	67.5 Å²	67.5	50%	0.503	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	129.7	-167.2	114.5	0	0	0	0	109.1	H30 A31	H30-S47 WeakPolarHBondContact CE1-CB 3.32Å; A31-S47 WeakPolarHBondContact O-CA 3.15Å
48	T	96.9	Very high	94.6	Very high	39 Å²	39	67.2 Å²	67.2	24%	0.239	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	158.9	177.5	-166.2	0	0	0	0	112.1	H30 A31 L74	H30-T48 WeakPolarHBondContact CA-O 3.38Å; H30-T48 PolarHBondContact ND1-O 3.1Å; A31-T48 HydrophobicContact CB-CG2 4.32Å; A31-T48 PolarHBondContact N-O 3.46Å; A31-T48 PolarHBondContact O-N 3.07Å; T48-L74 HydrophobicContact CG2-CD1 3.93Å; T48-L74 HydrophobicContact CG2-CD2 3.87Å; T48-L74 HydrophobicContact CG2-CG 3.89Å
49	K	94.3	Very high	94.8	Very high	177 Å²	177	64.2 Å²	64.2	77%	0.77	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	141.7	169.4	-69.9	-175.6	-180	178.1	0	109.1	P51	K49-P51 WeakPolarHBondContact O-CD 3.49Å
50	V	91.3	Very high	95	Very high	10 Å²	10	61.1 Å²	61.1	6%	0.061	33%	0.327	C	S	.	.			trans	-91.8	111	175.6	179.1	0	0	0	0	108.9	F26 T29 A31 R52 L62	F26-V50 HydrophobicContact CD1-CG2 4.34Å; F26-V50 HydrophobicContact CE1-CG1 3.9Å; F26-V50 HydrophobicContact CE1-CG2 3.81Å; F26-V50 HydrophobicContact CZ-CG2 4.23Å; T29-V50 PolarHBondContact O-N 3.22Å; A31-V50 HydrophobicContact CB-CG2 3.77Å; V50-R52 PolarHBondContact O-N 3.32Å; V50-L62 HydrophobicContact CG1-CD1 4.12Å; V50-L62 HydrophobicContact CG1-CD2 3.79Å
51	P	89.8	Confident	95.2	Very high	84 Å²	84	61.9 Å²	61.9	55%	0.545	33%	0.331	S	S	.	.			trans	-71.5	123.8	-178.8	28.6	-33.2	0	0	0	110.4	K49 L62	K49-P51 WeakPolarHBondContact O-CD 3.49Å; P51-L62 WeakPolarHBondContact O-CD2 3.28Å
52	R	92.8	Very high	95.4	Very high	79 Å²	79	56.9 Å²	56.9	30%	0.298	31%	0.309	S	S	.	.			trans	-108.1	140.9	178.3	-59.1	-166.5	-60.9	-90.3	-4	111.2	S28 T29 V50 E54 L62	S28-R52 PolarHBondContact O-NH1 3.48Å; T29-R52 PolarHBondContact OG1-NH1 2.97Å; T29-R52 VanDerWaalsContact OG1-NH1 3.12Å; V50-R52 PolarHBondContact O-N 3.32Å; R52-E54 HydrophobicContact CB-CG 4.29Å; R52-E54 IonicContact CZ-OE1 2.72Å; R52-E54 IonicContact NE-OE1 2.89Å; R52-E54 PolarHBondContact NE-OE1 3.47Å; R52-E54 IonicContact NH2-OE1 3.55Å; R52-E54 PolarHBondContact NH2-OE1 3.35Å; R52-E54 VanDerWaalsContact NH2-OE1 3.11Å; R52-L62 HydrophobicContact CB-CD2 4.36Å; R52-L62 HydrophobicContact CG-CD2 3.77Å
53	L	95.2	Very high	95.5	Very high	74 Å²	74	56.8 Å²	56.8	39%	0.387	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	97.7	173	-58.8	174.4	0	0	0	108	E61	L53-E61 HydrophobicContact CB-CB 4.46Å; L53-E61 WeakPolarHBondContact CB-O 3.47Å; L53-E61 PolarHBondContact N-O 3.13Å; L53-E61 PolarHBondContact O-N 3.47Å
54	E	93.7	Very high	95.5	Very high	122 Å²	122	54.5 Å²	54.5	57%	0.57	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.2	179.8	-66.4	175.3	-174.5	0	0	109.9	R52 A59	R52-E54 HydrophobicContact CB-CG 4.29Å; R52-E54 IonicContact CZ-OE1 2.72Å; R52-E54 IonicContact NE-OE1 2.89Å; R52-E54 PolarHBondContact NE-OE1 3.47Å; R52-E54 IonicContact NH2-OE1 3.55Å; R52-E54 PolarHBondContact NH2-OE1 3.35Å; R52-E54 VanDerWaalsContact NH2-OE1 3.11Å; E54-A59 WeakPolarHBondContact CA-O 3.45Å
55	R	95.1	Very high	95.5	Very high	105 Å²	105	57.4 Å²	57.4	40%	0.396	31%	0.306	S	S	.	.			trans	-125.9	154.8	178.3	-66.2	-166.8	-62.4	-100	-2.3	111.7	D57 G58 A59 E61	R55-D57 WeakPolarHBondContact CB-OD1 3.22Å; R55-D57 IonicContact NE-OD1 3.22Å; R55-D57 IonicContact NE-OD2 3.19Å; R55-D57 PolarHBondContact O-N 2.63Å; R55-D57 VanDerWaalsContact O-N 3.12Å; R55-G58 PolarHBondContact O-N 3.25Å; R55-A59 HydrophobicContact CB-CB 3.98Å; R55-A59 HydrophobicContact CG-CB 4.35Å; R55-A59 PolarHBondContact N-O 2.87Å; R55-E61 IonicContact CZ-OE2 3.69Å; R55-E61 IonicContact NH1-OE2 3.38Å; R55-E61 PolarHBondContact NH1-OE2 2.71Å; R55-E61 IonicContact NH2-OE1 3.95Å; R55-E61 IonicContact NH2-OE2 2.92Å; R55-E61 PolarHBondContact NH2-OE2 2.89Å
56	P	93.8	Very high	95.4	Very high	146 Å²	146	57.3 Å²	57.3	95%	0.948	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.5	-179.5	-25.8	35.2	0	0	0	115.3	G58	P56-G58 PolarHBondContact O-N 3.29Å
57	D	94.4	Very high	95.4	Very high	86 Å²	86	57.2 Å²	57.2	46%	0.46	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-0.2	175.6	68.7	-17.5	0	0	0	113.3	R55 A59 R122	R55-D57 WeakPolarHBondContact CB-OD1 3.22Å; R55-D57 IonicContact NE-OD1 3.22Å; R55-D57 IonicContact NE-OD2 3.19Å; R55-D57 PolarHBondContact O-N 2.63Å; R55-D57 VanDerWaalsContact O-N 3.12Å; D57-A59 VanDerWaalsContact OD1-CB 3.28Å; D57-A59 WeakPolarHBondContact OD1-CB 3.38Å; D57-A59 PolarHBondContact OD1-N 3.02Å; D57-R122 WeakPolarHBondContact O-CG 3.36Å; D57-R122 WeakPolarHBondContact OD2-CD 3.38Å
58	G	92.8	Very high	95.4	Very high	20 Å²	20	55.1 Å²	55.1	21%	0.206	29%	0.288	C	S	.	.	S	Bend	trans	88.2	10.6	-177.4	0	0	0	0	0	114	R55 P56 T121	R55-G58 PolarHBondContact O-N 3.25Å; P56-G58 PolarHBondContact O-N 3.29Å; G58-T121 WeakPolarHBondContact CA-OG1 3.26Å; G58-T121 PolarHBondContact O-N 2.81Å; G58-T121 PolarHBondContact O-OG1 2.95Å
59	A	96.5	Very high	95.4	Very high	3 Å²	3	59.4 Å²	59.4	3%	0.025	31%	0.305	C	S	.	.			trans	-66.5	137.1	170.9	0	0	0	0	0	111	E54 R55 D57 D120 R122	E54-A59 WeakPolarHBondContact CA-O 3.45Å; R55-A59 HydrophobicContact CB-CB 3.98Å; R55-A59 HydrophobicContact CG-CB 4.35Å; R55-A59 PolarHBondContact N-O 2.87Å; D57-A59 VanDerWaalsContact OD1-CB 3.28Å; D57-A59 WeakPolarHBondContact OD1-CB 3.38Å; D57-A59 PolarHBondContact OD1-N 3.02Å; A59-D120 WeakPolarHBondContact CA-OD2 2.97Å; A59-R122 HydrophobicContact CB-CG 4.46Å
60	C	96.2	Very high	95.6	Very high	7 Å²	7	52.2 Å²	52.2	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	105.8	170.2	-173.1	0	0	0	0	107.6	T117 Q119 D120	C60-T117 WeakPolarHBondContact CB-OG1 3.22Å; C60-T117 WeakPolarHBondContact O-CG2 3.31Å; C60-T117 PolarHBondContact O-N 2.89Å; C60-T117 PolarHBondContact O-OG1 3.29Å; C60-T117 VanDerWaalsContact O-OG1 3.11Å; C60-T117 PolarHBondContact SG-OG1 3.07Å; C60-Q119 HydrophobicContact CB-CB 4.24Å; C60-D120 PolarHBondContact N-OD2 2.84Å
61	E	97.6	Very high	95.9	Very high	17 Å²	17	51.7 Å²	51.7	8%	0.079	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.5	-169.2	-64	175.9	151.7	0	0	111.9	L53 R55 R114 V115 R122	L53-E61 HydrophobicContact CB-CB 4.46Å; L53-E61 WeakPolarHBondContact CB-O 3.47Å; L53-E61 PolarHBondContact N-O 3.13Å; L53-E61 PolarHBondContact O-N 3.47Å; R55-E61 IonicContact CZ-OE2 3.69Å; R55-E61 IonicContact NH1-OE2 3.38Å; R55-E61 PolarHBondContact NH1-OE2 2.71Å; R55-E61 IonicContact NH2-OE1 3.95Å; R55-E61 IonicContact NH2-OE2 2.92Å; R55-E61 PolarHBondContact NH2-OE2 2.89Å; E61-R114 HydrophobicContact CB-CB 4.05Å; E61-R114 HydrophobicContact CG-CB 4.4Å; E61-V115 CarbonylContact C-O 3.58Å; E61-V115 WeakPolarHBondContact CA-O 3.42Å; E61-R122 IonicContact OE1-CZ 3.5Å; E61-R122 IonicContact OE1-NH1 3.93Å; E61-R122 PolarHBondContact OE1-NH1 3.34Å; E61-R122 IonicContact OE1-NH2 2.65Å; E61-R122 PolarHBondContact OE1-NH2 2.78Å
62	L	97.7	Very high	96.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	151.4	167.6	-43.9	172.9	0	0	0	109.9	V50 P51 R52 P64 V67 R114 V115 T117	V50-L62 HydrophobicContact CG1-CD1 4.12Å; V50-L62 HydrophobicContact CG1-CD2 3.79Å; P51-L62 WeakPolarHBondContact O-CD2 3.28Å; R52-L62 HydrophobicContact CB-CD2 4.36Å; R52-L62 HydrophobicContact CG-CD2 3.77Å; L62-P64 WeakPolarHBondContact O-CD 3.36Å; L62-V67 HydrophobicContact CB-CG2 3.75Å; L62-V67 HydrophobicContact CD1-CG2 3.82Å; L62-V67 HydrophobicContact CG-CG2 4.4Å; L62-R114 WeakPolarHBondContact O-CB 2.9Å; L62-V115 HydrophobicContact CB-CB 3.94Å; L62-V115 HydrophobicContact CB-CG2 4.26Å; L62-V115 HydrophobicContact CD1-CB 4.47Å; L62-V115 HydrophobicContact CD1-CG1 4.42Å; L62-V115 HydrophobicContact CG-CB 4.35Å; L62-V115 PolarHBondContact N-O 2.98Å; L62-V115 PolarHBondContact O-N 2.91Å; L62-T117 HydrophobicContact CD1-CG2 4.38Å; L62-T117 HydrophobicContact CD2-CG2 4.19Å; L62-T117 HydrophobicContact CG-CG2 3.87Å
63	D	97.8	Very high	96.5	Very high	61 Å²	61	50.4 Å²	50.4	33%	0.326	26%	0.264	S	S	.	.			trans	-77.7	119.1	166.7	-160.5	-50.4	0	0	0	110.3	E65 A66 V67 R114	D63-E65 VanDerWaalsContact C-N 3.27Å; D63-E65 PolarHBondContact O-N 2.73Å; D63-E65 PolarHBondContact OD1-N 2.85Å; D63-E65 VanDerWaalsContact OD1-N 3.13Å; D63-A66 HydrophobicContact CB-CB 3.78Å; D63-A66 PolarHBondContact O-N 3.01Å; D63-V67 VanDerWaalsContact O-CG2 3.31Å; D63-V67 WeakPolarHBondContact O-CG2 3.28Å; D63-V67 PolarHBondContact O-N 2.96Å; D63-R114 IonicContact OD2-CZ 3.31Å; D63-R114 IonicContact OD2-NH1 2.99Å; D63-R114 PolarHBondContact OD2-NH1 2.58Å
64	P	98	Very high	96.7	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.039	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-31.8	-177.5	-21.6	32.2	0	0	0	114.2	L62 W68 L102 P111 T113 V115 W199	L62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-W68 PolarHBondContact O-N 3.26Å; P64-L102 HydrophobicContact CB-CD1 4.22Å; P64-L102 HydrophobicContact CG-CD1 4.46Å; P64-P111 HydrophobicContact CB-CB 3.92Å; P64-P111 HydrophobicContact CB-CG 3.7Å; P64-P111 HydrophobicContact CG-CB 3.8Å; P64-P111 HydrophobicContact CG-CG 4.14Å; P64-T113 WeakPolarHBondContact CG-O 3.42Å; P64-V115 HydrophobicContact CB-CG2 4.26Å; P64-V115 HydrophobicContact CG-CG2 3.98Å; P64-W199 HydrophobicContact CB-CZ2 4.18Å; P64-W199 PolarHBondContact O-NE1 2.85Å
65	E	97.5	Very high	96.8	Very high	60 Å²	60	41.1 Å²	41.1	28%	0.28	22%	0.219	S	C	.	.	H	α-helix	trans	-77.2	-41.2	177.2	-66.3	-51.9	136.3	0	0	110.8	D63 V67 W68 E69 P111 R203	D63-E65 VanDerWaalsContact C-N 3.27Å; D63-E65 PolarHBondContact O-N 2.73Å; D63-E65 PolarHBondContact OD1-N 2.85Å; D63-E65 VanDerWaalsContact OD1-N 3.13Å; E65-V67 PolarHBondContact O-N 3.38Å; E65-W68 WeakPolarHBondContact O-CB 3.18Å; E65-W68 PolarHBondContact O-N 3.17Å; E65-E69 WeakPolarHBondContact O-CG 3.17Å; E65-E69 PolarHBondContact O-N 3.45Å; E65-P111 WeakPolarHBondContact OE1-CD 3.42Å; E65-P111 VanDerWaalsContact OE1-CG 3.3Å; E65-P111 WeakPolarHBondContact OE1-CG 3.4Å; E65-R203 IonicContact OE1-CZ 3.9Å; E65-R203 IonicContact OE1-NH1 3.29Å; E65-R203 PolarHBondContact OE1-NH1 3.45Å; E65-R203 IonicContact OE2-CZ 2.73Å; E65-R203 IonicContact OE2-NH1 3.17Å; E65-R203 PolarHBondContact OE2-NH1 3.22Å; E65-R203 IonicContact OE2-NH2 3.17Å; E65-R203 PolarHBondContact OE2-NH2 3.27Å
66	A	97	Very high	96.9	Very high	28 Å²	28	39.6 Å²	39.6	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-32.4	173.7	0	0	0	0	0	112.3	D63 S70	D63-A66 HydrophobicContact CB-CB 3.78Å; D63-A66 PolarHBondContact O-N 3.01Å; A66-S70 VanDerWaalsContact O-CB 3.23Å; A66-S70 WeakPolarHBondContact O-CB 3.4Å; A66-S70 PolarHBondContact O-N 3.44Å; A66-S70 PolarHBondContact O-OG 2.69Å
67	V	97.9	Very high	97.2	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.03	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-46.2	170.9	164.6	0	0	0	0	110.6	F26 L62 D63 E65 S70 F71 L196 L200	F26-V67 HydrophobicContact CE1-CG1 4.08Å; F26-V67 HydrophobicContact CE1-CG2 4.22Å; F26-V67 HydrophobicContact CE2-CG1 4.22Å; F26-V67 HydrophobicContact CZ-CB 4.23Å; F26-V67 HydrophobicContact CZ-CG1 3.79Å; F26-V67 HydrophobicContact CZ-CG2 4.18Å; L62-V67 HydrophobicContact CB-CG2 3.75Å; L62-V67 HydrophobicContact CD1-CG2 3.82Å; L62-V67 HydrophobicContact CG-CG2 4.4Å; D63-V67 VanDerWaalsContact O-CG2 3.31Å; D63-V67 WeakPolarHBondContact O-CG2 3.28Å; D63-V67 PolarHBondContact O-N 2.96Å; E65-V67 PolarHBondContact O-N 3.38Å; V67-S70 PolarHBondContact O-N 3.25Å; V67-F71 VanDerWaalsContact O-CB 3.31Å; V67-F71 WeakPolarHBondContact O-CB 3.21Å; V67-F71 PolarHBondContact O-N 2.95Å; V67-L196 HydrophobicContact CG1-CD2 4Å; V67-L200 HydrophobicContact CG1-CD2 4.32Å
68	W	97.7	Very high	97.3	Very high	27 Å²	27	31.5 Å²	31.5	10%	0.102	17%	0.166	C	C	.	.	H	α-helix	trans	-65.2	-44.7	178.1	173.4	-105.3	0	0	0	112.6	P64 E65 F71 C72 L200 R203 L204 N260	P64-W68 PolarHBondContact O-N 3.26Å; E65-W68 WeakPolarHBondContact O-CB 3.18Å; E65-W68 PolarHBondContact O-N 3.17Å; W68-F71 HydrophobicContact CE3-CD1 4.33Å; W68-F71 HydrophobicContact CZ3-CD1 4.05Å; W68-F71 HydrophobicContact CZ3-CE1 4.41Å; W68-F71 PolarHBondContact O-N 2.75Å; W68-C72 WeakPolarHBondContact CZ2-SG 3.48Å; W68-C72 PolarHBondContact O-N 2.93Å; W68-C72 PolarHBondContact O-SG 3.31Å; W68-L200 HydrophobicContact CE3-CD2 4.22Å; W68-R203 VanDerWaalsContact CD1-CZ 3.49Å; W68-R203 HydrophobicContact CD2-CB 3.91Å; W68-R203 HydrophobicContact CD2-CG 4.23Å; W68-R203 HydrophobicContact CE3-CB 3.4Å; W68-R203 VanDerWaalsContact CE3-CB 3.4Å; W68-R203 HydrophobicContact CE3-CG 4Å; W68-R203 VanDerWaalsContact CG-CZ 3.44Å; W68-R203 HydrophobicContact CH2-CB 3.76Å; W68-R203 HydrophobicContact CZ2-CB 4.22Å; W68-R203 HydrophobicContact CZ3-CB 3.33Å; W68-R203 HydrophobicContact CZ3-CG 4.4Å; W68-L204 HydrophobicContact CH2-CD2 4Å; W68-L204 HydrophobicContact CH2-CG 4.11Å; W68-L204 HydrophobicContact CZ3-CD2 4.3Å; W68-L204 HydrophobicContact CZ3-CG 4.03Å; W68-N260 HydrophobicContact CH2-CB 4.48Å; W68-N260 HydrophobicContact CZ2-CB 4.2Å
69	E	97.3	Very high	97.5	Very high	130 Å²	130	30.9 Å²	30.9	61%	0.607	16%	0.158	S	C	*	.	H	α-helix	trans	-60.7	-45.8	176.1	-71.6	172.5	-175.6	0	0	111.2	E65 F71 C72 K73	E65-E69 WeakPolarHBondContact O-CG 3.17Å; E65-E69 PolarHBondContact O-N 3.45Å; E69-F71 VanDerWaalsContact C-N 3.33Å; E69-F71 PolarHBondContact O-N 2.86Å; E69-C72 PolarHBondContact O-N 3.43Å; E69-K73 WeakPolarHBondContact O-CB 3.34Å; E69-K73 PolarHBondContact O-N 3.38Å
70	S	97.6	Very high	97.5	Very high	25 Å²	25	36.3 Å²	36.3	18%	0.175	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-40.7	176.7	-60.9	0	0	0	0	111.7	A66 V67 K73 L74	A66-S70 VanDerWaalsContact O-CB 3.23Å; A66-S70 WeakPolarHBondContact O-CB 3.4Å; A66-S70 PolarHBondContact O-N 3.44Å; A66-S70 PolarHBondContact O-OG 2.69Å; V67-S70 PolarHBondContact O-N 3.25Å; S70-K73 PolarHBondContact O-N 2.97Å; S70-L74 WeakPolarHBondContact O-CG 3Å; S70-L74 PolarHBondContact O-N 3.23Å
71	F	98.1	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-48.7	175.7	-178.1	-90.5	0	0	0	111.1	V24 F26 V67 W68 E69 K73 L74 L75 I92 I94 L200 L204	V24-F71 HydrophobicContact CB-CE2 4.14Å; V24-F71 HydrophobicContact CG1-CD2 4Å; V24-F71 HydrophobicContact CG1-CE2 3.57Å; V24-F71 HydrophobicContact CG1-CZ 4.45Å; V24-F71 HydrophobicContact CG2-CE2 4.27Å; V24-F71 HydrophobicContact CG2-CZ 4.4Å; F26-F71 HydrophobicContact CD2-CB 4.43Å; F26-F71 HydrophobicContact CD2-CD2 4.1Å; F26-F71 HydrophobicContact CE2-CB 4.14Å; V67-F71 VanDerWaalsContact O-CB 3.31Å; V67-F71 WeakPolarHBondContact O-CB 3.21Å; V67-F71 PolarHBondContact O-N 2.95Å; W68-F71 HydrophobicContact CE3-CD1 4.33Å; W68-F71 HydrophobicContact CZ3-CD1 4.05Å; W68-F71 HydrophobicContact CZ3-CE1 4.41Å; W68-F71 PolarHBondContact O-N 2.75Å; E69-F71 VanDerWaalsContact C-N 3.33Å; E69-F71 PolarHBondContact O-N 2.86Å; F71-K73 PolarHBondContact O-N 3.33Å; F71-L74 WeakPolarHBondContact O-CB 3.42Å; F71-L74 PolarHBondContact O-N 3.22Å; F71-L75 HydrophobicContact CD1-CD1 4.06Å; F71-L75 HydrophobicContact CD1-CG 4.37Å; F71-L75 HydrophobicContact CE1-CD1 3.51Å; F71-L75 HydrophobicContact CE1-CD2 4.5Å; F71-L75 HydrophobicContact CE1-CG 4.1Å; F71-L75 HydrophobicContact CZ-CD1 4.12Å; F71-L75 HydrophobicContact CZ-CD2 4.4Å; F71-L75 HydrophobicContact CZ-CG 4.49Å; F71-L75 WeakPolarHBondContact O-CG 3.3Å; F71-L75 PolarHBondContact O-N 3.4Å; F71-L75 VanDerWaalsContact O-N 3.14Å; F71-I92 HydrophobicContact CZ-CD1 4.39Å; F71-I94 HydrophobicContact CE2-CG2 4.49Å; F71-I94 HydrophobicContact CZ-CD1 4.09Å; F71-I94 HydrophobicContact CZ-CG1 4.4Å; F71-L200 HydrophobicContact CB-CD2 3.87Å; F71-L200 HydrophobicContact CD1-CD2 4.13Å; F71-L200 HydrophobicContact CD2-CD1 3.72Å; F71-L200 HydrophobicContact CD2-CD2 3.77Å; F71-L200 HydrophobicContact CD2-CG 4.3Å; F71-L200 HydrophobicContact CE2-CD1 3.83Å; F71-L200 HydrophobicContact CE2-CD2 4.32Å; F71-L200 HydrophobicContact CE2-CG 4.5Å; F71-L200 HydrophobicContact CG-CD1 4.47Å; F71-L200 HydrophobicContact CG-CD2 3.66Å; F71-L204 HydrophobicContact CE1-CD1 3.88Å; F71-L204 HydrophobicContact CE1-CD2 4.07Å; F71-L204 HydrophobicContact CE1-CG 4.12Å; F71-L204 HydrophobicContact CZ-CD1 3.95Å
72	C	97.7	Very high	97.6	Very high	20 Å²	20	40.2 Å²	40.2	14%	0.135	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-47.6	175.5	-69.4	0	0	0	0	111.6	W68 E69 L74 L75 D76 P262	W68-C72 WeakPolarHBondContact CZ2-SG 3.48Å; W68-C72 PolarHBondContact O-N 2.93Å; W68-C72 PolarHBondContact O-SG 3.31Å; E69-C72 PolarHBondContact O-N 3.43Å; C72-L74 VanDerWaalsContact C-N 3.32Å; C72-L74 PolarHBondContact O-N 2.94Å; C72-L75 PolarHBondContact O-N 3.45Å; C72-L75 VanDerWaalsContact O-N 3.11Å; C72-D76 PolarHBondContact O-N 3.09Å; C72-P262 HydrophobicContact CB-CG 4.07Å; C72-P262 VanDerWaalsContact O-CG 3.3Å; C72-P262 WeakPolarHBondContact O-CG 3.48Å
73	K	97.6	Very high	97.5	Very high	115 Å²	115	48.7 Å²	48.7	50%	0.5	25%	0.245	S	C	.	.	H	α-helix	trans	-58.1	-44	178.6	-179.4	175.2	173	176.8	0	112.1	E69 S70 F71 L75 D76 E77	E69-K73 WeakPolarHBondContact O-CB 3.34Å; E69-K73 PolarHBondContact O-N 3.38Å; S70-K73 PolarHBondContact O-N 2.97Å; F71-K73 PolarHBondContact O-N 3.33Å; K73-L75 VanDerWaalsContact C-N 3.31Å; K73-L75 PolarHBondContact O-N 2.91Å; K73-D76 PolarHBondContact O-N 3.44Å; K73-E77 WeakPolarHBondContact CE-OE1 3.41Å; K73-E77 HydrophobicContact CG-CG 4.27Å; K73-E77 IonicContact NZ-OE1 3.39Å; K73-E77 WeakPolarHBondContact O-CB 3.46Å; K73-E77 WeakPolarHBondContact O-CG 3.37Å; K73-E77 PolarHBondContact O-N 3.44Å
74	L	98	Very high	97.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-57.9	-43.6	175.3	-78.3	170.8	0	0	0	112	A31 A33 S46 T48 S70 F71 C72 A78	A31-L74 HydrophobicContact CB-CD1 3.6Å; A33-L74 HydrophobicContact CB-CB 4.14Å; S46-L74 VanDerWaalsContact CB-O 3.31Å; S46-L74 WeakPolarHBondContact CB-O 3.21Å; S46-L74 WeakPolarHBondContact OG-CA 3.42Å; S46-L74 WeakPolarHBondContact OG-CD2 3.37Å; S46-L74 PolarHBondContact OG-O 3.48Å; T48-L74 HydrophobicContact CG2-CD1 3.93Å; T48-L74 HydrophobicContact CG2-CD2 3.87Å; T48-L74 HydrophobicContact CG2-CG 3.89Å; S70-L74 WeakPolarHBondContact O-CG 3Å; S70-L74 PolarHBondContact O-N 3.23Å; F71-L74 WeakPolarHBondContact O-CB 3.42Å; F71-L74 PolarHBondContact O-N 3.22Å; C72-L74 VanDerWaalsContact C-N 3.32Å; C72-L74 PolarHBondContact O-N 2.94Å; L74-A78 WeakPolarHBondContact O-CB 3.39Å; L74-A78 PolarHBondContact O-N 3.25Å
75	L	97.7	Very high	97	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-46.4	179.8	-60.9	-173.6	0	0	0	111.7	L22 V24 A33 F71 C72 K73 A78 L79 I92 P262 L263	L22-L75 HydrophobicContact CD1-CD2 4.46Å; L22-L75 HydrophobicContact CD2-CD2 3.76Å; L22-L75 HydrophobicContact CG-CD2 4.26Å; V24-L75 HydrophobicContact CG2-CD2 3.45Å; V24-L75 VanDerWaalsContact CG2-CD2 3.45Å; A33-L75 HydrophobicContact CB-CD2 4.16Å; F71-L75 HydrophobicContact CD1-CD1 4.06Å; F71-L75 HydrophobicContact CD1-CG 4.37Å; F71-L75 HydrophobicContact CE1-CD1 3.51Å; F71-L75 HydrophobicContact CE1-CD2 4.5Å; F71-L75 HydrophobicContact CE1-CG 4.1Å; F71-L75 HydrophobicContact CZ-CD1 4.12Å; F71-L75 HydrophobicContact CZ-CD2 4.4Å; F71-L75 HydrophobicContact CZ-CG 4.49Å; F71-L75 WeakPolarHBondContact O-CG 3.3Å; F71-L75 PolarHBondContact O-N 3.4Å; F71-L75 VanDerWaalsContact O-N 3.14Å; C72-L75 PolarHBondContact O-N 3.45Å; C72-L75 VanDerWaalsContact O-N 3.11Å; K73-L75 VanDerWaalsContact C-N 3.31Å; K73-L75 PolarHBondContact O-N 2.91Å; L75-A78 PolarHBondContact O-N 3.3Å; L75-L79 VanDerWaalsContact O-CG 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.3Å; L75-L79 VanDerWaalsContact O-N 3.09Å; L75-I92 HydrophobicContact CD1-CD1 4.44Å; L75-I92 HydrophobicContact CD2-CD1 4.36Å; L75-P262 HydrophobicContact CB-CG 4.33Å; L75-L263 HydrophobicContact CD1-CD1 3.78Å; L75-L263 HydrophobicContact CD1-CG 4.04Å
76	D	96.9	Very high	96.7	Very high	72 Å²	72	50.4 Å²	50.4	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-48.7	179.5	-171.9	35.4	0	0	0	111.5	C72 K73 A78 L79 Q80 P262	C72-D76 PolarHBondContact O-N 3.09Å; K73-D76 PolarHBondContact O-N 3.44Å; D76-A78 VanDerWaalsContact C-N 3.33Å; D76-A78 PolarHBondContact O-N 3.03Å; D76-L79 PolarHBondContact O-N 3.44Å; D76-Q80 VanDerWaalsContact O-CG 3.28Å; D76-Q80 WeakPolarHBondContact O-CG 3.16Å; D76-Q80 PolarHBondContact O-N 2.73Å; D76-Q80 PolarHBondContact OD1-NE2 2.93Å; D76-Q80 PolarHBondContact OD2-NE2 2.93Å; D76-P262 HydrophobicContact CB-CB 4.22Å; D76-P262 HydrophobicContact CB-CG 4.04Å
77	E	98.4	Very high	96.3	Very high	63 Å²	63	50.3 Å²	50.3	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-61.5	-37.5	177.5	-72.8	177.8	162	0	0	112.6	K73 Q80 D81	K73-E77 WeakPolarHBondContact CE-OE1 3.41Å; K73-E77 HydrophobicContact CG-CG 4.27Å; K73-E77 IonicContact NZ-OE1 3.39Å; K73-E77 WeakPolarHBondContact O-CB 3.46Å; K73-E77 WeakPolarHBondContact O-CG 3.37Å; K73-E77 PolarHBondContact O-N 3.44Å; E77-Q80 PolarHBondContact O-N 3.06Å; E77-D81 WeakPolarHBondContact O-CB 3.15Å; E77-D81 PolarHBondContact O-N 2.88Å
78	A	98.2	Very high	96	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-71	-33.8	179	0	0	0	0	0	112.5	A33 V35 L74 L75 D76 A82	A33-A78 HydrophobicContact CB-CB 3.96Å; V35-A78 HydrophobicContact CG2-CB 4.23Å; V35-A78 WeakPolarHBondContact CG2-O 3.33Å; L74-A78 WeakPolarHBondContact O-CB 3.39Å; L74-A78 PolarHBondContact O-N 3.25Å; L75-A78 PolarHBondContact O-N 3.3Å; D76-A78 VanDerWaalsContact C-N 3.33Å; D76-A78 PolarHBondContact O-N 3.03Å; A78-A82 WeakPolarHBondContact O-CB 3.3Å; A78-A82 PolarHBondContact O-N 3.01Å; A78-A82 VanDerWaalsContact O-N 3.14Å
79	L	96.5	Very high	95.9	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-70.9	-40.3	174	-69.4	170.8	0	0	0	111.6	V35 L75 D76 A82 E83 I84 P86 I89 L263	V35-L79 HydrophobicContact CG2-CD2 4.42Å; L75-L79 VanDerWaalsContact O-CG 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.3Å; L75-L79 VanDerWaalsContact O-N 3.09Å; D76-L79 PolarHBondContact O-N 3.44Å; L79-A82 CarbonylContact O-C 3.59Å; L79-A82 PolarHBondContact O-N 2.88Å; L79-E83 PolarHBondContact O-N 3.2Å; L79-I84 HydrophobicContact CD2-CD1 3.96Å; L79-I84 HydrophobicContact CD2-CG1 3.85Å; L79-I84 PolarHBondContact O-N 3.41Å; L79-I84 VanDerWaalsContact O-N 3.12Å; L79-P86 HydrophobicContact CD1-CG 4.03Å; L79-I89 HydrophobicContact CD2-CD1 3.77Å; L79-I89 HydrophobicContact CD2-CG1 3.82Å; L79-L263 HydrophobicContact CD1-CD2 3.77Å
80	Q	97.3	Very high	95.7	Very high	116 Å²	116	48.6 Å²	48.6	54%	0.542	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-46.2	175.5	-71.6	171.3	20.2	0	0	111.5	D76 E77 A82 E83	D76-Q80 VanDerWaalsContact O-CG 3.28Å; D76-Q80 WeakPolarHBondContact O-CG 3.16Å; D76-Q80 PolarHBondContact O-N 2.73Å; D76-Q80 PolarHBondContact OD1-NE2 2.93Å; D76-Q80 PolarHBondContact OD2-NE2 2.93Å; E77-Q80 PolarHBondContact O-N 3.06Å; Q80-A82 VanDerWaalsContact C-N 3.27Å; Q80-A82 PolarHBondContact O-N 2.96Å; Q80-E83 PolarHBondContact O-N 2.91Å
81	D	98.3	Very high	95.6	Very high	90 Å²	90	47.4 Å²	47.4	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-31.6	176	-173.2	69	0	0	0	112.4	G44 C45 E77 E83	G44-D81 WeakPolarHBondContact CA-OD2 3.3Å; C45-D81 WeakPolarHBondContact CB-OD2 3.49Å; C45-D81 PolarHBondContact N-OD2 3.47Å; E77-D81 WeakPolarHBondContact O-CB 3.15Å; E77-D81 PolarHBondContact O-N 2.88Å; D81-E83 VanDerWaalsContact C-N 3.31Å
82	A	96.9	Very high	95.6	Very high	16 Å²	16	47.4 Å²	47.4	13%	0.132	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.4	172.2	0	0	0	0	0	114.5	V35 V43 A78 L79 Q80 I84	V35-A82 HydrophobicContact CB-CB 4Å; V35-A82 HydrophobicContact CG1-CB 4.11Å; V35-A82 HydrophobicContact CG2-CB 4Å; V43-A82 HydrophobicContact CG2-CB 4.23Å; V43-A82 WeakPolarHBondContact O-CA 3.24Å; A78-A82 WeakPolarHBondContact O-CB 3.3Å; A78-A82 PolarHBondContact O-N 3.01Å; A78-A82 VanDerWaalsContact O-N 3.14Å; L79-A82 CarbonylContact O-C 3.59Å; L79-A82 PolarHBondContact O-N 2.88Å; Q80-A82 VanDerWaalsContact C-N 3.27Å; Q80-A82 PolarHBondContact O-N 2.96Å; A82-I84 VanDerWaalsContact C-N 3.3Å; A82-I84 HydrophobicContact CB-CD1 4.2Å; A82-I84 HydrophobicContact CB-CG1 3.81Å; A82-I84 PolarHBondContact O-N 3.14Å
83	E	96.3	Very high	95.7	Very high	180 Å²	180	46.4 Å²	46.4	84%	0.841	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	41.6	-174.1	-57.6	179.1	-165.8	0	0	113.3	L79 Q80 D81	L79-E83 PolarHBondContact O-N 3.2Å; Q80-E83 PolarHBondContact O-N 2.91Å; D81-E83 VanDerWaalsContact C-N 3.31Å
84	I	92.8	Very high	95.7	Very high	27 Å²	27	41 Å²	41	14%	0.138	20%	0.203	C	C	.	.			trans	-126.8	149.3	179.6	62.4	170.1	0	0	0	113.3	F20 V35 L79 A82 R88 I89	F20-I84 HydrophobicContact CB-CD1 4.27Å; F20-I84 HydrophobicContact CD2-CD1 3.67Å; F20-I84 HydrophobicContact CD2-CG2 4.34Å; F20-I84 HydrophobicContact CE2-CD1 4.21Å; F20-I84 HydrophobicContact CE2-CG2 3.79Å; F20-I84 HydrophobicContact CG-CD1 4.04Å; F20-I84 HydrophobicContact CZ-CG2 4.28Å; V35-I84 HydrophobicContact CG1-CD1 3.63Å; V35-I84 HydrophobicContact CG2-CD1 4.49Å; L79-I84 HydrophobicContact CD2-CD1 3.96Å; L79-I84 HydrophobicContact CD2-CG1 3.85Å; L79-I84 PolarHBondContact O-N 3.41Å; L79-I84 VanDerWaalsContact O-N 3.12Å; A82-I84 VanDerWaalsContact C-N 3.3Å; A82-I84 HydrophobicContact CB-CD1 4.2Å; A82-I84 HydrophobicContact CB-CG1 3.81Å; A82-I84 PolarHBondContact O-N 3.14Å; I84-R88 HydrophobicContact CB-CB 4.26Å; I84-R88 HydrophobicContact CB-CG 4.41Å; I84-R88 HydrophobicContact CD1-CB 4.33Å; I84-I89 HydrophobicContact CD1-CD1 3.65Å
85	N	90.8	Very high	95.7	Very high	112 Å²	112	40.9 Å²	40.9	60%	0.599	20%	0.202	S	C	*	.			trans	-78.1	152.7	168.5	-65.2	-28.1	0	0	0	111.2	D87 R88	N85-D87 PolarHBondContact O-N 3.19Å; N85-D87 VanDerWaalsContact O-N 3.08Å; N85-R88 WeakPolarHBondContact O-CB 3.39Å; N85-R88 PolarHBondContact O-N 3.41Å
86	P	91.2	Very high	95.7	Very high	24 Å²	24	40.9 Å²	40.9	16%	0.156	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-47.8	-38	175.3	-29.8	34.7	0	0	0	114.3	L79 R88 I89 P262 L263 I273	L79-P86 HydrophobicContact CD1-CG 4.03Å; P86-R88 PolarHBondContact O-N 2.88Å; P86-I89 WeakPolarHBondContact O-CB 3.39Å; P86-I89 WeakPolarHBondContact O-CG1 3.13Å; P86-I89 PolarHBondContact O-N 3.22Å; P86-P262 WeakPolarHBondContact CG-O 3.44Å; P86-L263 HydrophobicContact CB-CD2 4.15Å; P86-I273 HydrophobicContact CB-CD1 4.14Å; P86-I273 WeakPolarHBondContact O-CD1 3.32Å
87	D	89.4	Confident	95.6	Very high	26 Å²	26	37.5 Å²	37.5	14%	0.139	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-56.4	-17	179.4	-64.2	12.1	0	0	0	114.7	N85 S266 S267 L271	N85-D87 PolarHBondContact O-N 3.19Å; N85-D87 VanDerWaalsContact O-N 3.08Å; D87-S266 VanDerWaalsContact CG-OG 3.25Å; D87-S266 WeakPolarHBondContact OD1-CA 3.34Å; D87-S266 VanDerWaalsContact OD1-CB 3.24Å; D87-S266 WeakPolarHBondContact OD1-CB 3.45Å; D87-S266 PolarHBondContact OD1-OG 2.77Å; D87-S267 PolarHBondContact OD2-OG 3.37Å; D87-L271 HydrophobicContact CB-CD1 3.87Å
88	R	92	Very high	95.4	Very high	107 Å²	107	36 Å²	36	40%	0.404	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-86.4	-11.1	176.9	-63.2	-66.2	-167.1	174.7	-0.3	113.1	S18 K19 F20 I84 N85 P86	S18-R88 CarbonylContact C-O 3.55Å; S18-R88 WeakPolarHBondContact CA-O 3.36Å; K19-R88 PolarHBondContact N-O 2.9Å; F20-R88 HydrophobicContact CD2-CB 3.91Å; F20-R88 HydrophobicContact CE2-CB 4.23Å; F20-R88 PolarHBondContact N-O 3.48Å; I84-R88 HydrophobicContact CB-CB 4.26Å; I84-R88 HydrophobicContact CB-CG 4.41Å; I84-R88 HydrophobicContact CD1-CB 4.33Å; N85-R88 WeakPolarHBondContact O-CB 3.39Å; N85-R88 PolarHBondContact O-N 3.41Å; P86-R88 PolarHBondContact O-N 2.88Å
89	I	94.4	Very high	95.2	Very high	5 Å²	5	37 Å²	37	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.6	176.6	-57.5	-55.8	0	0	0	109.7	F20 L22 V35 L79 I84 P86 C91 L263 I273	F20-I89 HydrophobicContact CB-CD1 3.99Å; L22-I89 HydrophobicContact CB-CD1 4.35Å; L22-I89 HydrophobicContact CB-CG2 3.98Å; V35-I89 HydrophobicContact CG1-CD1 4.25Å; L79-I89 HydrophobicContact CD2-CD1 3.77Å; L79-I89 HydrophobicContact CD2-CG1 3.82Å; I84-I89 HydrophobicContact CD1-CD1 3.65Å; P86-I89 WeakPolarHBondContact O-CB 3.39Å; P86-I89 WeakPolarHBondContact O-CG1 3.13Å; P86-I89 PolarHBondContact O-N 3.22Å; I89-C91 WeakPolarHBondContact CG2-O 3.25Å; I89-L263 HydrophobicContact CG1-CD2 4.36Å; I89-I273 HydrophobicContact CB-CD1 4.11Å; I89-I273 HydrophobicContact CB-CG1 4.5Å; I89-I273 HydrophobicContact CB-CG2 4.45Å; I89-I273 HydrophobicContact CG2-CG2 3.86Å
90	N	93.9	Very high	95.2	Very high	13 Å²	13	36.7 Å²	36.7	7%	0.07	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-41.1	179.5	-175.2	-88.3	0	0	0	112	S18 F20 M38 P274	S18-N90 PolarHBondContact O-ND2 3.17Å; S18-N90 PolarHBondContact OG-ND2 2.79Å; F20-N90 WeakPolarHBondContact O-CB 3.37Å; F20-N90 PolarHBondContact O-N 2.96Å; M38-N90 HydrophobicContact CE-CB 3.89Å; N90-P274 WeakPolarHBondContact O-CD 2.81Å; N90-P274 WeakPolarHBondContact O-CG 3.4Å
91	C	95.9	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	160.6	178.2	53.8	0	0	0	0	111.3	L22 I89 P274 T276 A538 A542	L22-C91 PolarHBondContact N-O 3.33Å; I89-C91 WeakPolarHBondContact CG2-O 3.25Å; C91-P274 WeakPolarHBondContact CA-O 3.48Å; C91-P274 HydrophobicContact CB-CG 4.28Å; C91-T276 HydrophobicContact CB-CG2 4.41Å; C91-T276 VanDerWaalsContact CB-OG1 3.32Å; C91-T276 WeakPolarHBondContact CB-OG1 3.3Å; C91-A538 HydrophobicContact CB-CB 4.48Å; C91-A542 HydrophobicContact CB-CB 3.94Å
92	I	97.9	Very high	95.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.5	174.5	-176.1	178.4	0	0	0	111.5	L22 V24 F71 L75 I94 V258 L263 I273 P274 I275 T276 A538	L22-I92 HydrophobicContact CB-CB 4.3Å; L22-I92 HydrophobicContact CB-CG1 4.21Å; L22-I92 HydrophobicContact CD2-CB 4.5Å; L22-I92 HydrophobicContact CD2-CD1 3.88Å; L22-I92 HydrophobicContact CD2-CG1 4.11Å; L22-I92 HydrophobicContact CG-CD1 4.36Å; L22-I92 HydrophobicContact CG-CG1 4.17Å; L22-I92 CarbonylContact O-C 3.49Å; L22-I92 WeakPolarHBondContact O-CA 3.5Å; V24-I92 HydrophobicContact CG2-CD1 4.09Å; V24-I92 HydrophobicContact CG2-CG1 4.37Å; F71-I92 HydrophobicContact CZ-CD1 4.39Å; L75-I92 HydrophobicContact CD1-CD1 4.44Å; L75-I92 HydrophobicContact CD2-CD1 4.36Å; I92-I94 HydrophobicContact CD1-CG1 4.38Å; I92-I94 HydrophobicContact CG1-CG1 4.39Å; I92-V258 HydrophobicContact CG2-CG2 4.22Å; I92-L263 HydrophobicContact CD1-CD1 3.89Å; I92-I273 HydrophobicContact CG2-CG2 4.46Å; I92-P274 PolarHBondContact N-O 2.97Å; I92-P274 VanDerWaalsContact N-O 3.13Å; I92-I275 HydrophobicContact CG2-CB 4.04Å; I92-I275 HydrophobicContact CG2-CG1 3.64Å; I92-I275 HydrophobicContact CG2-CG2 4.2Å; I92-T276 PolarHBondContact O-N 3.26Å; I92-T276 VanDerWaalsContact O-N 3.14Å; I92-A538 VanDerWaalsContact C-CB 3.49Å
93	G	98.6	Very high	95.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.1	170.1	0	0	0	0	0	112	L22 V24 G277 A534	L22-G93 PolarHBondContact O-N 2.9Å; V24-G93 PolarHBondContact N-O 3.42Å; G93-G277 CarbonylContact C-O 3.17Å; G93-G277 WeakPolarHBondContact CA-O 3.26Å; G93-A534 WeakPolarHBondContact CA-O 3.5Å
94	I	98.8	Very high	95.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.3	-177.9	-54.1	173.9	0	0	0	109.6	F71 I92 V96 L200 L204 I275 G277 I278 I279	F71-I94 HydrophobicContact CE2-CG2 4.49Å; F71-I94 HydrophobicContact CZ-CD1 4.09Å; F71-I94 HydrophobicContact CZ-CG1 4.4Å; I92-I94 HydrophobicContact CD1-CG1 4.38Å; I92-I94 HydrophobicContact CG1-CG1 4.39Å; I94-V96 HydrophobicContact CG2-CG1 3.94Å; I94-L200 HydrophobicContact CG2-CD1 4.18Å; I94-L204 HydrophobicContact CD1-CD1 3.58Å; I94-I275 HydrophobicContact CD1-CG2 4.45Å; I94-G277 PolarHBondContact N-O 2.87Å; I94-I278 WeakPolarHBondContact O-CA 3.36Å; I94-I279 PolarHBondContact O-N 2.76Å
95	S	98.6	Very high	95.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.8	165.4	170.8	0	0	0	0	110	V24 D25 F26 I279 D281	V24-S95 WeakPolarHBondContact O-CB 3.35Å; V24-S95 PolarHBondContact O-N 3.26Å; D25-S95 CarbonylContact C-O 3.59Å; D25-S95 WeakPolarHBondContact CA-O 3.35Å; D25-S95 VanDerWaalsContact OD1-CB 3.29Å; D25-S95 WeakPolarHBondContact OD1-CB 3.45Å; D25-S95 PolarHBondContact OD1-OG 3.35Å; F26-S95 PolarHBondContact N-O 2.87Å; S95-I279 VanDerWaalsContact CA-O 3.26Å; S95-I279 WeakPolarHBondContact CA-O 3.48Å; S95-D281 VanDerWaalsContact OG-CA 3.23Å; S95-D281 WeakPolarHBondContact OG-CA 3.37Å; S95-D281 PolarHBondContact OG-N 2.75Å
96	V	97.8	Very high	95.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.1	177.5	-59.8	0	0	0	0	112.7	F26 I94 R98 L196 E197 L200 I279 D281	F26-V96 HydrophobicContact CB-CG1 4.24Å; I94-V96 HydrophobicContact CG2-CG1 3.94Å; V96-R98 PolarHBondContact O-N 3.07Å; V96-L196 HydrophobicContact CB-CB 4.07Å; V96-L196 HydrophobicContact CG1-CB 3.96Å; V96-L196 HydrophobicContact CG2-CB 4.42Å; V96-E197 HydrophobicContact CG1-CB 3.85Å; V96-E197 HydrophobicContact CG2-CB 3.79Å; V96-E197 HydrophobicContact CG2-CG 4.31Å; V96-E197 WeakPolarHBondContact CG2-OE2 3.48Å; V96-L200 HydrophobicContact CG1-CD1 4.26Å; V96-I279 PolarHBondContact N-O 3.13Å; V96-D281 WeakPolarHBondContact O-CB 3.3Å; V96-D281 PolarHBondContact O-N 2.87Å
97	Q	93.4	Very high	96.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	11%	0.11	C	C	.	.			trans	-56.5	119	158.5	59.4	171.5	-59.1	0	0	109.5	F26 G27 S100 L196 D281	F26-Q97 PolarHBondContact O-N 3.11Å; G27-Q97 PolarHBondContact O-NE2 3.42Å; Q97-S100 PolarHBondContact OE1-OG 3.49Å; Q97-L196 HydrophobicContact CG-CD1 3.46Å; Q97-L196 VanDerWaalsContact CG-CD1 3.46Å; Q97-D281 WeakPolarHBondContact CA-OD2 3.46Å
98	R	94.1	Very high	96.6	Very high	33 Å²	33	27.5 Å²	27.5	13%	0.125	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	166.9	-177.7	-58.8	178.8	-70.5	171.2	11.9	111.6	V96 S100 V219 D281 Q283 E373	V96-R98 PolarHBondContact O-N 3.07Å; R98-S100 PolarHBondContact O-N 2.72Å; R98-V219 HydrophobicContact CB-CG2 3.68Å; R98-V219 HydrophobicContact CG-CG2 4.21Å; R98-V219 VanDerWaalsContact NH1-CG1 3.31Å; R98-D281 IonicContact NE-OD1 3.12Å; R98-Q283 VanDerWaalsContact NH1-OE1 3.08Å; R98-E373 IonicContact CZ-OE1 3.23Å; R98-E373 VanDerWaalsContact CZ-OE1 3.31Å; R98-E373 IonicContact CZ-OE2 3.53Å; R98-E373 IonicContact NH1-OE1 2.67Å; R98-E373 PolarHBondContact NH1-OE1 3.33Å; R98-E373 IonicContact NH1-OE2 2.98Å; R98-E373 PolarHBondContact NH1-OE2 3.28Å; R98-E373 IonicContact NH2-OE1 2.91Å; R98-E373 PolarHBondContact NH2-OE1 2.99Å; R98-E373 IonicContact NH2-OE2 3.53Å; R98-E373 PolarHBondContact NH2-OE2 3.44Å
99	N	94.3	Very high	96.9	Very high	21 Å²	21	24.1 Å²	24.1	11%	0.112	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	-8.5	171.3	-92.2	-41.2	0	0	0	116.5	W118 A166 A168 R171 V219 T220	N99-W118 HydrophobicContact CB-CB 3.9Å; N99-A166 WeakPolarHBondContact CB-O 3.48Å; N99-A166 PolarHBondContact ND2-O 2.74Å; N99-A168 PolarHBondContact OD1-N 2.89Å; N99-R171 PolarHBondContact O-NH1 2.79Å; N99-R171 PolarHBondContact O-NH2 2.94Å; N99-V219 PolarHBondContact ND2-O 3.45Å; N99-V219 PolarHBondContact OD1-O 2.92Å; N99-T220 VanDerWaalsContact OD1-CA 3.29Å; N99-T220 WeakPolarHBondContact OD1-CA 3.38Å
100	S	96	Very high	97	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.			trans	-68.6	130.8	169.9	-65.2	0	0	0	0	110	Q97 R98 I116 T117 W118 C195	Q97-S100 PolarHBondContact OE1-OG 3.49Å; R98-S100 PolarHBondContact O-N 2.72Å; S100-I116 CarbonylContact C-O 3.59Å; S100-I116 WeakPolarHBondContact CA-O 3.45Å; S100-T117 WeakPolarHBondContact OG-CA 3.43Å; S100-W118 PolarHBondContact OG-N 3.39Å; S100-C195 WeakPolarHBondContact O-CA 3.37Å; S100-C195 VanDerWaalsContact O-CB 3.25Å; S100-C195 WeakPolarHBondContact O-CB 3.38Å; S100-C195 PolarHBondContact O-SG 3.27Å; S100-C195 VanDerWaalsContact O-SG 3.42Å
101	L	97.8	Very high	97.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	154.3	-171.4	75	90.2	0	0	0	113.4	V115 I116 A168 R171 L172 L175 Y193 G194	L101-V115 CarbonylContact O-C 3.52Å; L101-V115 WeakPolarHBondContact O-CA 3.14Å; L101-I116 HydrophobicContact CD1-CB 4.46Å; L101-I116 HydrophobicContact CD1-CD1 4.31Å; L101-I116 HydrophobicContact CG-CB 4.25Å; L101-I116 PolarHBondContact N-O 3.27Å; L101-I116 PolarHBondContact O-N 2.72Å; L101-A168 HydrophobicContact CB-CB 4.48Å; L101-A168 HydrophobicContact CD2-CB 3.98Å; L101-A168 VanDerWaalsContact CD2-O 3.24Å; L101-A168 WeakPolarHBondContact CD2-O 3.23Å; L101-R171 HydrophobicContact CD2-CB 3.64Å; L101-L172 HydrophobicContact CD1-CD1 4.49Å; L101-L172 HydrophobicContact CD2-CB 4.13Å; L101-L175 HydrophobicContact CD1-CD2 4.16Å; L101-Y193 HydrophobicContact CB-CE2 3.76Å; L101-Y193 HydrophobicContact CD2-CE2 4.48Å; L101-Y193 HydrophobicContact CG-CE2 4.48Å; L101-G194 WeakPolarHBondContact CA-O 3.32Å
102	L	98.1	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	160.5	173.4	75.2	177	0	0	0	111.7	P64 W104 V115 G194 W199	P64-L102 HydrophobicContact CB-CD1 4.22Å; P64-L102 HydrophobicContact CG-CD1 4.46Å; L102-W104 HydrophobicContact CD1-CE3 4.35Å; L102-W104 HydrophobicContact CD2-CE3 4.18Å; L102-W104 HydrophobicContact CD2-CZ3 3.72Å; L102-W104 HydrophobicContact CG-CE3 3.83Å; L102-W104 HydrophobicContact CG-CZ3 3.91Å; L102-V115 HydrophobicContact CB-CG2 4.27Å; L102-V115 HydrophobicContact CD1-CG2 3.99Å; L102-G194 VanDerWaalsContact CD2-O 3.31Å; L102-G194 WeakPolarHBondContact CD2-O 3.26Å; L102-G194 PolarHBondContact N-O 2.55Å; L102-G194 VanDerWaalsContact N-O 3.09Å; L102-G194 PolarHBondContact O-N 2.88Å; L102-W199 HydrophobicContact CD1-CB 3.83Å; L102-W199 HydrophobicContact CD1-CD2 3.82Å; L102-W199 HydrophobicContact CD1-CE3 4.31Å; L102-W199 HydrophobicContact CD1-CG 3.6Å; L102-W199 HydrophobicContact CD2-CB 3.98Å; L102-W199 HydrophobicContact CG-CB 4.47Å
103	L	98.6	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.3	170.2	-58.3	178	0	0	0	110.3	R112 T113 L172 L175 L176 L182 L191 C192 Y193	L103-R112 PolarHBondContact O-N 3.39Å; L103-T113 HydrophobicContact CB-CG2 4.14Å; L103-T113 HydrophobicContact CD1-CG2 4.41Å; L103-T113 HydrophobicContact CG-CG2 4.47Å; L103-T113 PolarHBondContact N-OG1 3.43Å; L103-T113 PolarHBondContact O-N 2.66Å; L103-L172 HydrophobicContact CD1-CD1 4.26Å; L103-L172 HydrophobicContact CD2-CD1 4.08Å; L103-L172 HydrophobicContact CG-CD1 4.41Å; L103-L175 HydrophobicContact CD1-CD2 4.01Å; L103-L175 HydrophobicContact CG-CD2 4.31Å; L103-L176 HydrophobicContact CD1-CD2 4.17Å; L103-L182 HydrophobicContact CD1-CD1 4.31Å; L103-L191 HydrophobicContact CD1-CD1 4.42Å; L103-C192 VanDerWaalsContact CA-O 3.3Å; L103-C192 WeakPolarHBondContact CA-O 3.4Å; L103-Y193 HydrophobicContact CD2-CD2 4.19Å; L103-Y193 HydrophobicContact CD2-CG 4.49Å
104	W	98.5	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	159	173.6	66.5	97.7	0	0	0	111.3	L102 N110 L191 C192 T198 W199 W202 F210	L102-W104 HydrophobicContact CD1-CE3 4.35Å; L102-W104 HydrophobicContact CD2-CE3 4.18Å; L102-W104 HydrophobicContact CD2-CZ3 3.72Å; L102-W104 HydrophobicContact CG-CE3 3.83Å; L102-W104 HydrophobicContact CG-CZ3 3.91Å; W104-N110 WeakPolarHBondContact CA-O 3.2Å; W104-N110 WeakPolarHBondContact CB-O 3.25Å; W104-L191 CarbonylContact O-C 3.57Å; W104-L191 VanDerWaalsContact O-CA 3.29Å; W104-L191 WeakPolarHBondContact O-CA 3.22Å; W104-C192 HydrophobicContact CD2-CB 3.82Å; W104-C192 HydrophobicContact CE3-CB 4.33Å; W104-C192 HydrophobicContact CG-CB 4.33Å; W104-C192 HydrophobicContact CH2-CB 4.09Å; W104-C192 HydrophobicContact CZ2-CB 3.52Å; W104-C192 HydrophobicContact CZ3-CB 4.46Å; W104-C192 PolarHBondContact N-O 3.19Å; W104-C192 VanDerWaalsContact N-O 3.16Å; W104-C192 PolarHBondContact O-N 2.93Å; W104-T198 HydrophobicContact CH2-CG2 3.74Å; W104-T198 HydrophobicContact CZ2-CG2 4.35Å; W104-W199 HydrophobicContact CB-CZ3 3.98Å; W104-W199 AromaticContact CD2-CE3 3.85Å; W104-W199 HydrophobicContact CD2-CE3 3.85Å; W104-W199 HydrophobicContact CD2-CZ3 4.03Å; W104-W199 HydrophobicContact CE3-CE3 4.09Å; W104-W199 HydrophobicContact CG-CE3 4.09Å; W104-W199 AromaticContact CG-CZ3 3.76Å; W104-W199 HydrophobicContact CG-CZ3 3.76Å; W104-W202 AromaticContact CD1-NE1 3.88Å; W104-W202 HydrophobicContact CZ2-CB 4.1Å; W104-W202 HydrophobicContact CZ2-CD2 4.15Å; W104-W202 HydrophobicContact CZ2-CE3 4.32Å; W104-W202 HydrophobicContact CZ2-CG 4.06Å; W104-W202 AromaticContact NE1-CD1 3.65Å; W104-W202 AromaticContact NE1-CD2 3.39Å; W104-W202 AromaticContact NE1-CE2 3.32Å; W104-W202 VanDerWaalsContact NE1-CE2 3.32Å; W104-W202 AromaticContact NE1-CG 3.63Å; W104-W202 AromaticContact NE1-CZ2 3.87Å; W104-W202 AromaticContact NE1-NE1 3.49Å; W104-F210 HydrophobicContact CH2-CD2 4.43Å; W104-F210 AromaticContact CH2-CE2 3.91Å; W104-F210 HydrophobicContact CH2-CE2 3.91Å; W104-F210 AromaticContact CZ2-CD2 3.99Å; W104-F210 HydrophobicContact CZ2-CD2 3.99Å; W104-F210 AromaticContact CZ2-CE2 3.8Å; W104-F210 HydrophobicContact CZ2-CE2 3.8Å
105	D	98.3	Very high	97.3	Very high	29 Å²	29	39.1 Å²	39.1	16%	0.155	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.5	176.7	-179.7	-81	0	0	0	110.9	K107 T108 S109 N110 R112 L191	D105-K107 VanDerWaalsContact C-N 3.29Å; D105-K107 PolarHBondContact O-N 3.24Å; D105-K107 PolarHBondContact OD1-N 2.84Å; D105-T108 VanDerWaalsContact CB-OG1 3.27Å; D105-T108 WeakPolarHBondContact CB-OG1 3.26Å; D105-T108 VanDerWaalsContact CG-OG1 3.24Å; D105-T108 PolarHBondContact OD1-N 2.84Å; D105-T108 PolarHBondContact OD1-OG1 3.5Å; D105-S109 VanDerWaalsContact O-CA 3.23Å; D105-S109 WeakPolarHBondContact O-CA 3.49Å; D105-S109 PolarHBondContact O-N 2.7Å; D105-N110 PolarHBondContact N-O 3.07Å; D105-R112 HydrophobicContact CB-CG 4.38Å; D105-L191 HydrophobicContact CB-CD2 4.37Å
106	K	97.3	Very high	97.2	Very high	107 Å²	107	39.3 Å²	39.3	47%	0.465	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-27	-173.2	-174.5	172.4	-178.4	177.1	0	113.5	L190 W202	K106-L190 VanDerWaalsContact CB-O 3.3Å; K106-L190 WeakPolarHBondContact CB-O 3.34Å; K106-L190 PolarHBondContact N-O 3.36Å; K106-W202 HydrophobicContact CG-CH2 4.13Å; K106-W202 WeakPolarHBondContact O-CZ2 3.26Å
107	K	96.9	Very high	97.2	Very high	184 Å²	184	39.3 Å²	39.3	80%	0.8	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-46.5	-176.5	-69.9	-174.2	176.4	-175.8	0	111.7	D105	D105-K107 VanDerWaalsContact C-N 3.29Å; D105-K107 PolarHBondContact O-N 3.24Å; D105-K107 PolarHBondContact OD1-N 2.84Å
108	T	97.7	Very high	97.1	Very high	78 Å²	78	43.8 Å²	43.8	48%	0.479	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-13.2	-174.2	59.8	0	0	0	0	112.8	D105 N110	D105-T108 VanDerWaalsContact CB-OG1 3.27Å; D105-T108 WeakPolarHBondContact CB-OG1 3.26Å; D105-T108 VanDerWaalsContact CG-OG1 3.24Å; D105-T108 PolarHBondContact OD1-N 2.84Å; D105-T108 PolarHBondContact OD1-OG1 3.5Å; T108-N110 PolarHBondContact O-N 3.15Å; T108-N110 VanDerWaalsContact O-N 3.14Å; T108-N110 PolarHBondContact OG1-N 3.31Å
109	S	97.8	Very high	96.9	Very high	35 Å²	35	45.4 Å²	45.4	25%	0.245	21%	0.214	C	C	.	.			trans	61.1	9.2	-170.5	-55.9	0	0	0	0	114.5	D105 W199 W202	D105-S109 VanDerWaalsContact O-CA 3.23Å; D105-S109 WeakPolarHBondContact O-CA 3.49Å; D105-S109 PolarHBondContact O-N 2.7Å; S109-W199 VanDerWaalsContact O-CH2 3.28Å; S109-W199 WeakPolarHBondContact O-CH2 3.41Å; S109-W202 PolarHBondContact OG-NE1 2.83Å
110	N	98.1	Very high	96.9	Very high	96 Å²	96	44.5 Å²	44.5	51%	0.513	21%	0.209	S	C	.	.			trans	-75.8	129.4	-177.7	-71.3	-23.7	0	0	0	111	W104 D105 T108 R112	W104-N110 WeakPolarHBondContact CA-O 3.2Å; W104-N110 WeakPolarHBondContact CB-O 3.25Å; D105-N110 PolarHBondContact N-O 3.07Å; T108-N110 PolarHBondContact O-N 3.15Å; T108-N110 VanDerWaalsContact O-N 3.14Å; T108-N110 PolarHBondContact OG1-N 3.31Å; N110-R112 PolarHBondContact O-N 3.4Å
111	P	98.3	Very high	96.9	Very high	39 Å²	39	47.8 Å²	47.8	25%	0.253	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-59.3	133.9	172.8	-20.9	30.9	0	0	0	111.9	P64 E65 W199	P64-P111 HydrophobicContact CB-CB 3.92Å; P64-P111 HydrophobicContact CB-CG 3.7Å; P64-P111 HydrophobicContact CG-CB 3.8Å; P64-P111 HydrophobicContact CG-CG 4.14Å; E65-P111 WeakPolarHBondContact OE1-CD 3.42Å; E65-P111 VanDerWaalsContact OE1-CG 3.3Å; E65-P111 WeakPolarHBondContact OE1-CG 3.4Å; P111-W199 HydrophobicContact CG-CH2 3.73Å; P111-W199 HydrophobicContact CG-CZ2 3.8Å
112	R	97.7	Very high	96.8	Very high	90 Å²	90	49.7 Å²	49.7	34%	0.34	24%	0.236	S	C	.	.	S	Bend	trans	-102.2	-13	174.9	-60.4	-59.1	-61.7	-71.3	-7.3	112.3	L103 D105 N110 L182 E185 L191	L103-R112 PolarHBondContact O-N 3.39Å; D105-R112 HydrophobicContact CB-CG 4.38Å; N110-R112 PolarHBondContact O-N 3.4Å; R112-L182 HydrophobicContact CB-CD2 4.13Å; R112-E185 IonicContact CZ-OE1 2.86Å; R112-E185 IonicContact CZ-OE2 3.81Å; R112-E185 VanDerWaalsContact NH1-CD 3.29Å; R112-E185 IonicContact NH1-OE1 3.61Å; R112-E185 PolarHBondContact NH1-OE1 3.2Å; R112-E185 IonicContact NH1-OE2 3.45Å; R112-E185 PolarHBondContact NH1-OE2 3.22Å; R112-E185 IonicContact NH2-OE1 3.11Å; R112-E185 PolarHBondContact NH2-OE1 3.24Å; R112-E185 IonicContact NH2-OE2 3.66Å; R112-E185 PolarHBondContact NH2-OE2 2.88Å; R112-L191 HydrophobicContact CG-CD2 3.8Å
113	T	97.8	Very high	96.7	Very high	12 Å²	12	49.7 Å²	49.7	7%	0.074	24%	0.236	C	C	.	.	S	Bend	trans	-139.7	158.3	174.8	69.1	0	0	0	0	110.4	P64 L103 L175 L182	P64-T113 WeakPolarHBondContact CG-O 3.42Å; L103-T113 HydrophobicContact CB-CG2 4.14Å; L103-T113 HydrophobicContact CD1-CG2 4.41Å; L103-T113 HydrophobicContact CG-CG2 4.47Å; L103-T113 PolarHBondContact N-OG1 3.43Å; L103-T113 PolarHBondContact O-N 2.66Å; T113-L175 HydrophobicContact CG2-CD1 3.96Å; T113-L175 HydrophobicContact CG2-CD2 3.8Å; T113-L175 HydrophobicContact CG2-CG 4.39Å; T113-L182 HydrophobicContact CG2-CD1 3.77Å
114	R	97.7	Very high	96.5	Very high	96 Å²	96	53.6 Å²	53.6	36%	0.362	26%	0.257	S	S	.	.			trans	-62.2	164.2	159.6	-69.3	-169.8	-180	-76.1	-0.7	110.4	E61 L62 D63 I116	E61-R114 HydrophobicContact CB-CB 4.05Å; E61-R114 HydrophobicContact CG-CB 4.4Å; L62-R114 WeakPolarHBondContact O-CB 2.9Å; D63-R114 IonicContact OD2-CZ 3.31Å; D63-R114 IonicContact OD2-NH1 2.99Å; D63-R114 PolarHBondContact OD2-NH1 2.58Å; R114-I116 PolarHBondContact O-N 3.33Å
115	V	98.2	Very high	96.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	115.9	167.9	-172.6	0	0	0	0	107.9	E61 L62 P64 L101 L102 L196	E61-V115 CarbonylContact C-O 3.58Å; E61-V115 WeakPolarHBondContact CA-O 3.42Å; L62-V115 HydrophobicContact CB-CB 3.94Å; L62-V115 HydrophobicContact CB-CG2 4.26Å; L62-V115 HydrophobicContact CD1-CB 4.47Å; L62-V115 HydrophobicContact CD1-CG1 4.42Å; L62-V115 HydrophobicContact CG-CB 4.35Å; L62-V115 PolarHBondContact N-O 2.98Å; L62-V115 PolarHBondContact O-N 2.91Å; P64-V115 HydrophobicContact CB-CG2 4.26Å; P64-V115 HydrophobicContact CG-CG2 3.98Å; L101-V115 CarbonylContact O-C 3.52Å; L101-V115 WeakPolarHBondContact O-CA 3.14Å; L102-V115 HydrophobicContact CB-CG2 4.27Å; L102-V115 HydrophobicContact CD1-CG2 3.99Å; V115-L196 HydrophobicContact CG1-CD2 3.87Å; V115-L196 HydrophobicContact CG1-CG 4.26Å; V115-L196 HydrophobicContact CG2-CD2 4.13Å
116	I	97.9	Very high	96.2	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113.6	175.2	-54.9	177.4	0	0	0	107.8	S100 L101 R114 D120 R171 L175	S100-I116 CarbonylContact C-O 3.59Å; S100-I116 WeakPolarHBondContact CA-O 3.45Å; L101-I116 HydrophobicContact CD1-CB 4.46Å; L101-I116 HydrophobicContact CD1-CD1 4.31Å; L101-I116 HydrophobicContact CG-CB 4.25Å; L101-I116 PolarHBondContact N-O 3.27Å; L101-I116 PolarHBondContact O-N 2.72Å; R114-I116 PolarHBondContact O-N 3.33Å; I116-D120 HydrophobicContact CG2-CB 3.6Å; I116-D120 WeakPolarHBondContact CG2-OD2 3.48Å; I116-R171 HydrophobicContact CG2-CB 4.38Å; I116-R171 HydrophobicContact CG2-CG 4.43Å; I116-R171 PolarHBondContact O-NH1 3.48Å; I116-L175 HydrophobicContact CD1-CB 4.13Å; I116-L175 HydrophobicContact CD1-CD1 4.26Å; I116-L175 HydrophobicContact CD1-CD2 4.01Å; I116-L175 HydrophobicContact CD1-CG 4.35Å
117	T	96	Very high	96.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.26	C	S	.	.			trans	-76.1	163.2	-173.3	76.6	0	0	0	0	112.2	C60 L62 S100 Q119 D120 R171	C60-T117 WeakPolarHBondContact CB-OG1 3.22Å; C60-T117 WeakPolarHBondContact O-CG2 3.31Å; C60-T117 PolarHBondContact O-N 2.89Å; C60-T117 PolarHBondContact O-OG1 3.29Å; C60-T117 VanDerWaalsContact O-OG1 3.11Å; C60-T117 PolarHBondContact SG-OG1 3.07Å; L62-T117 HydrophobicContact CD1-CG2 4.38Å; L62-T117 HydrophobicContact CD2-CG2 4.19Å; L62-T117 HydrophobicContact CG-CG2 3.87Å; S100-T117 WeakPolarHBondContact OG-CA 3.43Å; T117-Q119 PolarHBondContact O-N 2.93Å; T117-Q119 VanDerWaalsContact O-N 3.14Å; T117-Q119 PolarHBondContact OG1-N 3.15Å; T117-D120 WeakPolarHBondContact O-CB 3.48Å; T117-D120 PolarHBondContact O-N 2.83Å; T117-D120 VanDerWaalsContact O-N 3.14Å; T117-R171 PolarHBondContact O-NH1 2.75Å
118	W	92.1	Very high	95.9	Very high	96 Å²	96	49.5 Å²	49.5	36%	0.364	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.4	175.4	70.3	-92.5	0	0	0	114	N99 S100	N99-W118 HydrophobicContact CB-CB 3.9Å; S100-W118 PolarHBondContact OG-N 3.39Å
119	Q	90.2	Very high	95.7	Very high	67 Å²	67	53.2 Å²	53.2	31%	0.313	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.1	179.4	-59.5	177.6	-87.1	0	0	112.9	C60 T117 T121	C60-Q119 HydrophobicContact CB-CB 4.24Å; T117-Q119 PolarHBondContact O-N 2.93Å; T117-Q119 VanDerWaalsContact O-N 3.14Å; T117-Q119 PolarHBondContact OG1-N 3.15Å; Q119-T121 WeakPolarHBondContact O-CG2 3.37Å; Q119-T121 PolarHBondContact O-N 2.77Å
120	D	94.7	Very high	95.5	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.011	25%	0.249	C	C	.	.			trans	-63	128.3	179.4	-171.4	-59.9	0	0	0	111.7	A59 C60 I116 T117 R122	A59-D120 WeakPolarHBondContact CA-OD2 2.97Å; C60-D120 PolarHBondContact N-OD2 2.84Å; I116-D120 HydrophobicContact CG2-CB 3.6Å; I116-D120 WeakPolarHBondContact CG2-OD2 3.48Å; T117-D120 WeakPolarHBondContact O-CB 3.48Å; T117-D120 PolarHBondContact O-N 2.83Å; T117-D120 VanDerWaalsContact O-N 3.14Å; D120-R122 WeakPolarHBondContact OD1-CB 3.47Å; D120-R122 PolarHBondContact OD1-N 2.94Å; D120-R122 IonicContact OD1-NE 3.88Å; D120-R122 PolarHBondContact OD1-NE 3.04Å; D120-R122 IonicContact OD2-CZ 2.79Å; D120-R122 IonicContact OD2-NE 2.95Å; D120-R122 PolarHBondContact OD2-NE 3.26Å; D120-R122 IonicContact OD2-NH2 2.73Å; D120-R122 PolarHBondContact OD2-NH2 3.41Å
121	T	95.3	Very high	95.2	Very high	68 Å²	68	49.3 Å²	49.3	42%	0.417	23%	0.23	S	C	.	.			trans	-110.1	-1	-174.6	59.1	0	0	0	0	114.4	G58 Q119 S123 L124	G58-T121 WeakPolarHBondContact CA-OG1 3.26Å; G58-T121 PolarHBondContact O-N 2.81Å; G58-T121 PolarHBondContact O-OG1 2.95Å; Q119-T121 WeakPolarHBondContact O-CG2 3.37Å; Q119-T121 PolarHBondContact O-N 2.77Å; T121-S123 PolarHBondContact O-N 2.88Å; T121-L124 WeakPolarHBondContact O-CB 3.1Å; T121-L124 PolarHBondContact O-N 3.11Å
122	R	96.7	Very high	94.9	Very high	41 Å²	41	54.2 Å²	54.2	16%	0.155	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.3	-176.9	-68	179.1	-70.2	173.4	-6.8	113.3	D57 A59 E61 D120 L124 Y174	D57-R122 WeakPolarHBondContact O-CG 3.36Å; D57-R122 WeakPolarHBondContact OD2-CD 3.38Å; A59-R122 HydrophobicContact CB-CG 4.46Å; E61-R122 IonicContact OE1-CZ 3.5Å; E61-R122 IonicContact OE1-NH1 3.93Å; E61-R122 PolarHBondContact OE1-NH1 3.34Å; E61-R122 IonicContact OE1-NH2 2.65Å; E61-R122 PolarHBondContact OE1-NH2 2.78Å; D120-R122 WeakPolarHBondContact OD1-CB 3.47Å; D120-R122 PolarHBondContact OD1-N 2.94Å; D120-R122 IonicContact OD1-NE 3.88Å; D120-R122 PolarHBondContact OD1-NE 3.04Å; D120-R122 IonicContact OD2-CZ 2.79Å; D120-R122 IonicContact OD2-NE 2.95Å; D120-R122 PolarHBondContact OD2-NE 3.26Å; D120-R122 IonicContact OD2-NH2 2.73Å; D120-R122 PolarHBondContact OD2-NH2 3.41Å; R122-L124 PolarHBondContact O-N 2.81Å; R122-Y174 HydrophobicContact CB-CE1 3.94Å; R122-Y174 HydrophobicContact CB-CE2 4.24Å
123	S	95.6	Very high	94.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	6.4	178.4	66.9	0	0	0	0	114.7	T121 D125 L126 A127 R171	T121-S123 PolarHBondContact O-N 2.88Å; S123-D125 PolarHBondContact O-N 3.15Å; S123-L126 WeakPolarHBondContact O-CB 3.34Å; S123-L126 PolarHBondContact O-N 3.35Å; S123-A127 WeakPolarHBondContact O-CB 3.39Å; S123-A127 PolarHBondContact O-N 3.08Å; S123-R171 WeakPolarHBondContact OG-CG 3.04Å
124	L	94.3	Very high	94.3	Very high	82 Å²	82	59.2 Å²	59.2	43%	0.429	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-47.1	-176.2	179.5	62	0	0	0	112.9	T121 R122 L126 A127 K128 T165	T121-L124 WeakPolarHBondContact O-CB 3.1Å; T121-L124 PolarHBondContact O-N 3.11Å; R122-L124 PolarHBondContact O-N 2.81Å; L124-L126 VanDerWaalsContact C-N 3.35Å; L124-A127 WeakPolarHBondContact O-CB 3.41Å; L124-A127 PolarHBondContact O-N 2.9Å; L124-K128 WeakPolarHBondContact O-CG 3.44Å; L124-K128 PolarHBondContact O-N 3.3Å; L124-T165 VanDerWaalsContact CA-CG2 3.45Å; L124-T165 HydrophobicContact CB-CG2 3.87Å; L124-T165 HydrophobicContact CD1-CG2 4.14Å
125	D	95	Very high	93.8	Very high	97 Å²	97	59.9 Å²	59.9	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-70.5	-34.9	-179.1	-72.3	-21.2	0	0	0	112	S123 K128 K129	S123-D125 PolarHBondContact O-N 3.15Å; D125-K128 PolarHBondContact O-N 2.87Å; D125-K128 IonicContact OD1-NZ 2.9Å; D125-K129 WeakPolarHBondContact O-CB 3.34Å; D125-K129 VanDerWaalsContact O-CG 3.25Å; D125-K129 WeakPolarHBondContact O-CG 3.33Å; D125-K129 PolarHBondContact O-N 2.75Å
126	L	95.7	Very high	93.3	Very high	26 Å²	26	60.1 Å²	60.1	14%	0.136	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-45.4	170.9	176.4	65.8	0	0	0	111	S123 L124 K128 K129 L130 I170 K173	S123-L126 WeakPolarHBondContact O-CB 3.34Å; S123-L126 PolarHBondContact O-N 3.35Å; L124-L126 VanDerWaalsContact C-N 3.35Å; L126-K128 PolarHBondContact O-N 2.57Å; L126-K129 PolarHBondContact O-N 3.29Å; L126-L130 HydrophobicContact CD1-CD1 3.9Å; L126-L130 HydrophobicContact CD1-CG 4Å; L126-L130 HydrophobicContact CD2-CD1 4.49Å; L126-L130 HydrophobicContact CG-CD1 3.88Å; L126-L130 HydrophobicContact CG-CG 4.37Å; L126-L130 WeakPolarHBondContact O-CB 3.43Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 3.11Å; L126-I170 HydrophobicContact CD2-CG2 4.44Å; L126-K173 HydrophobicContact CD2-CB 4.05Å; L126-K173 HydrophobicContact CD2-CG 3.83Å
127	A	93.5	Very high	92.8	Very high	4 Å²	4	67.5 Å²	67.5	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-46.6	177.3	0	0	0	0	0	111.2	S123 L124 L130 N131 F163 I170	S123-A127 WeakPolarHBondContact O-CB 3.39Å; S123-A127 PolarHBondContact O-N 3.08Å; L124-A127 WeakPolarHBondContact O-CB 3.41Å; L124-A127 PolarHBondContact O-N 2.9Å; A127-L130 PolarHBondContact O-N 3.39Å; A127-N131 WeakPolarHBondContact O-CB 2.98Å; A127-N131 VanDerWaalsContact O-CG 3.3Å; A127-N131 PolarHBondContact O-N 3.34Å; A127-N131 PolarHBondContact O-ND2 3.49Å; A127-F163 HydrophobicContact CB-CB 4.5Å; A127-I170 HydrophobicContact CB-CG2 4.1Å
128	K	93.3	Very high	92.5	Very high	107 Å²	107	69.8 Å²	69.8	47%	0.465	33%	0.332	S	S	.	.	H	α-helix	trans	-59	-49.5	175.2	-71.5	173.4	-174.1	164.7	0	111.3	L124 D125 L126 L130 N131 H132	L124-K128 WeakPolarHBondContact O-CG 3.44Å; L124-K128 PolarHBondContact O-N 3.3Å; D125-K128 PolarHBondContact O-N 2.87Å; D125-K128 IonicContact OD1-NZ 2.9Å; L126-K128 PolarHBondContact O-N 2.57Å; K128-L130 PolarHBondContact O-N 3.13Å; K128-N131 PolarHBondContact O-N 3.03Å; K128-H132 PolarHBondContact O-N 2.74Å; K128-H132 PolarHBondContact O-ND1 3.3Å
129	K	94.9	Very high	92.3	Very high	155 Å²	155	66.9 Å²	66.9	67%	0.674	32%	0.322	S	S	*	.	H	α-helix	trans	-59	-47.6	179.2	-75	172.9	-178	177.4	0	111.7	D125 L126 H132 S133	D125-K129 WeakPolarHBondContact O-CB 3.34Å; D125-K129 VanDerWaalsContact O-CG 3.25Å; D125-K129 WeakPolarHBondContact O-CG 3.33Å; D125-K129 PolarHBondContact O-N 2.75Å; L126-K129 PolarHBondContact O-N 3.29Å; K129-H132 PolarHBondContact O-N 3.36Å; K129-S133 PolarHBondContact O-N 2.84Å
130	L	92.9	Very high	92.1	Very high	29 Å²	29	66.4 Å²	66.4	15%	0.152	32%	0.319	C	S	.	.	H	α-helix	trans	-64.3	-41.9	179.3	-72.9	172.5	0	0	0	112.4	L126 A127 K128 H132 S133 F136 F163 I170 L238	L126-L130 HydrophobicContact CD1-CD1 3.9Å; L126-L130 HydrophobicContact CD1-CG 4Å; L126-L130 HydrophobicContact CD2-CD1 4.49Å; L126-L130 HydrophobicContact CG-CD1 3.88Å; L126-L130 HydrophobicContact CG-CG 4.37Å; L126-L130 WeakPolarHBondContact O-CB 3.43Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 3.11Å; A127-L130 PolarHBondContact O-N 3.39Å; K128-L130 PolarHBondContact O-N 3.13Å; L130-H132 PolarHBondContact O-N 2.95Å; L130-S133 WeakPolarHBondContact O-CB 3.39Å; L130-S133 PolarHBondContact O-N 3.32Å; L130-S133 VanDerWaalsContact O-N 3.08Å; L130-S133 PolarHBondContact O-OG 2.98Å; L130-F136 WeakPolarHBondContact O-CB 3.4Å; L130-F163 HydrophobicContact CB-CD2 3.86Å; L130-F163 HydrophobicContact CB-CE2 4.2Å; L130-I170 HydrophobicContact CD1-CD1 3.53Å; L130-L238 HydrophobicContact CD1-CD2 3.71Å; L130-L238 HydrophobicContact CD2-CD2 4.49Å
131	N	90.8	Very high	91.9	Very high	20 Å²	20	69.9 Å²	69.9	11%	0.107	34%	0.341	C	S	.	.	H	α-helix	trans	-60.4	-27.3	176.3	-79.9	-45.9	0	0	0	113.2	A127 K128 H162 F163	A127-N131 WeakPolarHBondContact O-CB 2.98Å; A127-N131 VanDerWaalsContact O-CG 3.3Å; A127-N131 PolarHBondContact O-N 3.34Å; A127-N131 PolarHBondContact O-ND2 3.49Å; K128-N131 PolarHBondContact O-N 3.03Å; N131-H162 PolarHBondContact ND2-CE1 3.31Å; N131-H162 PolarHBondContact ND2-NE2 3.39Å; N131-H162 PolarHBondContact OD1-ND1 3.49Å; N131-F163 PolarHBondContact ND2-O 3.46Å; N131-F163 PolarHBondContact OD1-N 2.9Å
132	H	91.8	Very high	91.6	Very high	142 Å²	142	68.7 Å²	68.7	66%	0.657	34%	0.338	S	S	*	.	H	α-helix	trans	-97.1	-5.3	177.3	-66.4	86.2	0	0	0	113.8	K128 K129 L130 R137	K128-H132 PolarHBondContact O-N 2.74Å; K128-H132 PolarHBondContact O-ND1 3.3Å; K129-H132 PolarHBondContact O-N 3.36Å; L130-H132 PolarHBondContact O-N 2.95Å; H132-R137 WeakPolarHBondContact O-CD 3.34Å
133	S	92.1	Very high	91.1	Very high	38 Å²	38	66.7 Å²	66.7	27%	0.266	33%	0.33	S	S	.	.	S	Bend	trans	-64.1	146.6	-178.2	72.2	0	0	0	0	112.2	K129 L130 I135 F136 R137	K129-S133 PolarHBondContact O-N 2.84Å; L130-S133 WeakPolarHBondContact O-CB 3.39Å; L130-S133 PolarHBondContact O-N 3.32Å; L130-S133 VanDerWaalsContact O-N 3.08Å; L130-S133 PolarHBondContact O-OG 2.98Å; S133-I135 VanDerWaalsContact C-N 3.32Å; S133-I135 PolarHBondContact O-N 3.01Å; S133-F136 PolarHBondContact O-N 3.25Å; S133-F136 VanDerWaalsContact OG-CB 3.26Å; S133-F136 WeakPolarHBondContact OG-CB 3.25Å; S133-F136 PolarHBondContact OG-N 2.67Å; S133-R137 WeakPolarHBondContact O-CB 3.4Å; S133-R137 WeakPolarHBondContact O-CG 3.38Å; S133-R137 PolarHBondContact O-N 2.92Å
134	F	91.1	Very high	90.7	Very high	170 Å²	170	71.7 Å²	71.7	75%	0.746	35%	0.353	S	S	*	.	H	α-helix	trans	-58.6	-43.4	-179.8	179.6	-98.3	0	0	0	112.4	F136 R137 S138	F134-F136 PolarHBondContact O-N 2.92Å; F134-R137 PolarHBondContact O-N 3.3Å; F134-S138 WeakPolarHBondContact O-CB 3.34Å; F134-S138 PolarHBondContact O-N 3.29Å; F134-S138 PolarHBondContact O-OG 2.67Å
135	I	87.9	Confident	90.5	Very high	110 Å²	110	73.1 Å²	73.1	56%	0.564	36%	0.359	S	S	*	.	H	α-helix	trans	-58.4	-51.5	178.6	-63.6	172.8	0	0	0	110.1	S133 S138 M139	S133-I135 VanDerWaalsContact C-N 3.32Å; S133-I135 PolarHBondContact O-N 3.01Å; I135-S138 WeakPolarHBondContact O-CB 3.38Å; I135-S138 PolarHBondContact O-N 2.8Å; I135-M139 HydrophobicContact CG2-SD 4.2Å; I135-M139 WeakPolarHBondContact O-CG 3.45Å; I135-M139 PolarHBondContact O-N 3.16Å
136	F	87.1	Confident	90.2	Very high	5 Å²	5	71.3 Å²	71.3	2%	0.022	35%	0.349	C	S	.	.	H	α-helix	trans	-69.7	-38.2	-176	-169.2	-112	0	0	0	112.4	L130 S133 F134 S138 M139 K140 Y161 F163	L130-F136 WeakPolarHBondContact O-CB 3.4Å; S133-F136 PolarHBondContact O-N 3.25Å; S133-F136 VanDerWaalsContact OG-CB 3.26Å; S133-F136 WeakPolarHBondContact OG-CB 3.25Å; S133-F136 PolarHBondContact OG-N 2.67Å; F134-F136 PolarHBondContact O-N 2.92Å; F136-S138 VanDerWaalsContact C-N 3.3Å; F136-S138 PolarHBondContact O-N 2.93Å; F136-M139 HydrophobicContact CD2-SD 4.48Å; F136-M139 PolarHBondContact O-N 2.88Å; F136-K140 HydrophobicContact CD1-CD 4.07Å; F136-K140 HydrophobicContact CE1-CD 3.63Å; F136-K140 HydrophobicContact CE1-CG 4.19Å; F136-K140 HydrophobicContact CZ-CD 4.12Å; F136-K140 HydrophobicContact CZ-CG 4.28Å; F136-K140 WeakPolarHBondContact O-CG 3.3Å; F136-K140 PolarHBondContact O-N 2.87Å; F136-Y161 AromaticContact CE2-CD1 3.97Å; F136-Y161 HydrophobicContact CE2-CD1 3.97Å; F136-Y161 AromaticContact CZ-CD1 3.68Å; F136-Y161 HydrophobicContact CZ-CD1 3.68Å; F136-Y161 HydrophobicContact CZ-CG 4.29Å; F136-Y161 WeakPolarHBondContact CZ-O 3.23Å; F136-F163 HydrophobicContact CD1-CD2 4.26Å; F136-F163 HydrophobicContact CD1-CE2 4.2Å; F136-F163 HydrophobicContact CD2-CD2 4.22Å; F136-F163 AromaticContact CD2-CE2 3.4Å; F136-F163 HydrophobicContact CD2-CE2 3.4Å; F136-F163 VanDerWaalsContact CD2-CE2 3.4Å; F136-F163 HydrophobicContact CD2-CZ 4.04Å; F136-F163 HydrophobicContact CE1-CD2 4.04Å; F136-F163 HydrophobicContact CE1-CE2 4.17Å; F136-F163 HydrophobicContact CE2-CD2 4.04Å; F136-F163 AromaticContact CE2-CE2 3.39Å; F136-F163 HydrophobicContact CE2-CE2 3.39Å; F136-F163 AromaticContact CE2-CZ 3.83Å; F136-F163 HydrophobicContact CE2-CZ 3.83Å; F136-F163 HydrophobicContact CG-CD2 4.34Å; F136-F163 AromaticContact CG-CE2 3.83Å; F136-F163 HydrophobicContact CG-CE2 3.83Å; F136-F163 AromaticContact CZ-CD2 3.96Å; F136-F163 HydrophobicContact CZ-CD2 3.96Å; F136-F163 AromaticContact CZ-CE2 3.81Å; F136-F163 HydrophobicContact CZ-CE2 3.81Å; F136-F163 HydrophobicContact CZ-CZ 4.46Å
137	R	88.9	Confident	89.8	Confident	159 Å²	159	73.7 Å²	73.7	60%	0.6	36%	0.357	S	S	*	.	H	α-helix	trans	-59.3	-42.9	171.5	-73.7	178.5	63.4	179.9	-1.1	111.5	H132 S133 F134 K140 T141	H132-R137 WeakPolarHBondContact O-CD 3.34Å; S133-R137 WeakPolarHBondContact O-CB 3.4Å; S133-R137 WeakPolarHBondContact O-CG 3.38Å; S133-R137 PolarHBondContact O-N 2.92Å; F134-R137 PolarHBondContact O-N 3.3Å; R137-K140 PolarHBondContact O-N 3.42Å; R137-T141 PolarHBondContact O-N 3.14Å; R137-T141 PolarHBondContact O-OG1 3.4Å; R137-T141 VanDerWaalsContact O-OG1 3.09Å
138	S	89.1	Confident	89.6	Confident	48 Å²	48	82.6 Å²	82.6	34%	0.336	39%	0.39	S	S	.	.	H	α-helix	trans	-63.5	-42.7	177.3	-58.1	0	0	0	0	111.7	F134 I135 F136 K140 T141 A142	F134-S138 WeakPolarHBondContact O-CB 3.34Å; F134-S138 PolarHBondContact O-N 3.29Å; F134-S138 PolarHBondContact O-OG 2.67Å; I135-S138 WeakPolarHBondContact O-CB 3.38Å; I135-S138 PolarHBondContact O-N 2.8Å; F136-S138 VanDerWaalsContact C-N 3.3Å; F136-S138 PolarHBondContact O-N 2.93Å; S138-K140 VanDerWaalsContact C-N 3.35Å; S138-K140 PolarHBondContact O-N 3.23Å; S138-T141 PolarHBondContact O-N 2.81Å; S138-A142 WeakPolarHBondContact O-CB 3.45Å; S138-A142 PolarHBondContact O-N 3.33Å
139	M	86.7	Confident	89.3	Confident	34 Å²	34	83.1 Å²	83.1	17%	0.167	40%	0.395	C	S	.	.	H	α-helix	trans	-59.5	-42.6	174.2	-71	173.6	65.9	0	0	112.4	I135 F136 A142 G143 L158 P233 I234	I135-M139 HydrophobicContact CG2-SD 4.2Å; I135-M139 WeakPolarHBondContact O-CG 3.45Å; I135-M139 PolarHBondContact O-N 3.16Å; F136-M139 HydrophobicContact CD2-SD 4.48Å; F136-M139 PolarHBondContact O-N 2.88Å; M139-A142 PolarHBondContact O-N 2.97Å; M139-G143 PolarHBondContact O-N 3.16Å; M139-L158 HydrophobicContact CE-CD1 4.03Å; M139-P233 HydrophobicContact CE-CB 4.3Å; M139-I234 HydrophobicContact CE-CD1 4.17Å
140	K	87.5	Confident	88.9	Confident	57 Å²	57	78.5 Å²	78.5	25%	0.248	38%	0.38	C	S	.	.	H	α-helix	trans	-65.7	-43.6	176.9	-69.6	-178.2	69.1	168.2	0	111.9	F136 R137 S138 G143 H144 A159 Y161	F136-K140 HydrophobicContact CD1-CD 4.07Å; F136-K140 HydrophobicContact CE1-CD 3.63Å; F136-K140 HydrophobicContact CE1-CG 4.19Å; F136-K140 HydrophobicContact CZ-CD 4.12Å; F136-K140 HydrophobicContact CZ-CG 4.28Å; F136-K140 WeakPolarHBondContact O-CG 3.3Å; F136-K140 PolarHBondContact O-N 2.87Å; R137-K140 PolarHBondContact O-N 3.42Å; S138-K140 VanDerWaalsContact C-N 3.35Å; S138-K140 PolarHBondContact O-N 3.23Å; K140-G143 WeakPolarHBondContact O-CA 3.27Å; K140-G143 PolarHBondContact O-N 2.71Å; K140-H144 PolarHBondContact O-CD2 2.93Å; K140-H144 VanDerWaalsContact O-CD2 3.22Å; K140-H144 PolarHBondContact O-N 2.89Å; K140-A159 WeakPolarHBondContact CE-O 3.12Å; K140-Y161 PolarHBondContact NZ-O 2.91Å
141	T	89.4	Confident	88.5	Confident	76 Å²	76	83.5 Å²	83.5	47%	0.466	40%	0.402	S	S	.	.	H	α-helix	trans	-59.8	-46.5	175.3	-59.6	0	0	0	0	111.4	R137 S138 G143 H144 M145	R137-T141 PolarHBondContact O-N 3.14Å; R137-T141 PolarHBondContact O-OG1 3.4Å; R137-T141 VanDerWaalsContact O-OG1 3.09Å; S138-T141 PolarHBondContact O-N 2.81Å; T141-G143 VanDerWaalsContact C-N 3.31Å; T141-G143 PolarHBondContact O-N 2.95Å; T141-H144 WeakPolarHBondContact O-CB 3.33Å; T141-H144 PolarHBondContact O-N 3.28Å; T141-H144 VanDerWaalsContact O-N 3.14Å; T141-M145 HydrophobicContact CG2-CE 3.94Å; T141-M145 HydrophobicContact CG2-SD 4.3Å; T141-M145 WeakPolarHBondContact O-CG 3.12Å; T141-M145 PolarHBondContact O-N 2.98Å
142	A	88.8	Confident	88.1	Confident	42 Å²	42	87 Å²	87	35%	0.347	42%	0.418	S	S	.	.	H	α-helix	trans	-60.1	-41.6	174.5	0	0	0	0	0	111.6	S138 M139 H144 M145 L146	S138-A142 WeakPolarHBondContact O-CB 3.45Å; S138-A142 PolarHBondContact O-N 3.33Å; M139-A142 PolarHBondContact O-N 2.97Å; A142-H144 PolarHBondContact O-N 2.91Å; A142-M145 PolarHBondContact O-N 3.44Å; A142-L146 VanDerWaalsContact O-CB 3.32Å; A142-L146 WeakPolarHBondContact O-CB 3.44Å; A142-L146 VanDerWaalsContact O-CG 3.25Å; A142-L146 WeakPolarHBondContact O-CG 3.31Å; A142-L146 PolarHBondContact O-N 3.07Å
143	G	86.4	Confident	87.6	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-58	-43.7	172.6	0	0	0	0	0	112.9	M139 K140 T141 Y147	M139-G143 PolarHBondContact O-N 3.16Å; K140-G143 WeakPolarHBondContact O-CA 3.27Å; K140-G143 PolarHBondContact O-N 2.71Å; T141-G143 VanDerWaalsContact C-N 3.31Å; T141-G143 PolarHBondContact O-N 2.95Å; G143-Y147 WeakPolarHBondContact O-CB 3.22Å; G143-Y147 PolarHBondContact O-N 3.11Å
144	H	87.4	Confident	87.3	Confident	104 Å²	104	86.6 Å²	86.6	48%	0.481	41%	0.411	S	S	.	.	H	α-helix	trans	-63	-47.7	176.1	-82.1	-69	0	0	0	112	K140 T141 A142 Y147 W148	K140-H144 PolarHBondContact O-CD2 2.93Å; K140-H144 VanDerWaalsContact O-CD2 3.22Å; K140-H144 PolarHBondContact O-N 2.89Å; T141-H144 WeakPolarHBondContact O-CB 3.33Å; T141-H144 PolarHBondContact O-N 3.28Å; T141-H144 VanDerWaalsContact O-N 3.14Å; A142-H144 PolarHBondContact O-N 2.91Å; H144-Y147 PolarHBondContact O-N 2.92Å; H144-W148 WeakPolarHBondContact O-CB 3.49Å; H144-W148 PolarHBondContact O-N 2.97Å
145	M	89.4	Confident	86.9	Confident	112 Å²	112	79.6 Å²	79.6	55%	0.552	38%	0.38	S	S	*	.	H	α-helix	trans	-61.4	-48	178.8	-70.1	175.7	169.8	0	0	111.4	T141 A142 Y147 W148 M149	T141-M145 HydrophobicContact CG2-CE 3.94Å; T141-M145 HydrophobicContact CG2-SD 4.3Å; T141-M145 WeakPolarHBondContact O-CG 3.12Å; T141-M145 PolarHBondContact O-N 2.98Å; A142-M145 PolarHBondContact O-N 3.44Å; M145-Y147 VanDerWaalsContact C-N 3.34Å; M145-Y147 PolarHBondContact O-N 2.63Å; M145-W148 PolarHBondContact O-N 2.75Å; M145-M149 HydrophobicContact CB-CE 4.23Å; M145-M149 WeakPolarHBondContact O-CE 3.32Å; M145-M149 WeakPolarHBondContact O-CG 3.44Å; M145-M149 PolarHBondContact O-N 2.75Å
146	L	89.3	Confident	86.7	Confident	59 Å²	59	75.9 Å²	75.9	31%	0.309	36%	0.36	S	S	.	.	H	α-helix	trans	-66	-36.7	178.6	-70	167.8	0	0	0	111.9	A142 M149 T150 F155	A142-L146 VanDerWaalsContact O-CB 3.32Å; A142-L146 WeakPolarHBondContact O-CB 3.44Å; A142-L146 VanDerWaalsContact O-CG 3.25Å; A142-L146 WeakPolarHBondContact O-CG 3.31Å; A142-L146 PolarHBondContact O-N 3.07Å; L146-M149 HydrophobicContact CD2-CE 4.01Å; L146-M149 PolarHBondContact O-N 3.41Å; L146-T150 WeakPolarHBondContact O-CB 3.49Å; L146-T150 WeakPolarHBondContact O-CG2 3.39Å; L146-T150 PolarHBondContact O-N 3.41Å; L146-T150 PolarHBondContact O-OG1 3.01Å; L146-F155 HydrophobicContact CB-CB 3.97Å; L146-F155 HydrophobicContact CB-CD1 3.68Å; L146-F155 HydrophobicContact CB-CD2 3.82Å; L146-F155 HydrophobicContact CB-CE1 4.01Å; L146-F155 HydrophobicContact CB-CE2 4.13Å; L146-F155 HydrophobicContact CB-CG 3.56Å; L146-F155 HydrophobicContact CB-CZ 4.19Å; L146-F155 HydrophobicContact CD1-CD1 3.76Å; L146-F155 HydrophobicContact CD1-CE1 3.59Å; L146-F155 HydrophobicContact CD1-CZ 4.21Å; L146-F155 HydrophobicContact CG-CD1 4.34Å; L146-F155 HydrophobicContact CG-CE1 4.3Å
147	Y	87.3	Confident	86.5	Confident	76 Å²	76	76 Å²	76	30%	0.298	36%	0.362	S	S	.	.	H	α-helix	trans	-66.2	-41.1	173.6	177.8	-120.8	0	0	0	112	G143 H144 M145 M149 H151 Q152 K156	G143-Y147 WeakPolarHBondContact O-CB 3.22Å; G143-Y147 PolarHBondContact O-N 3.11Å; H144-Y147 PolarHBondContact O-N 2.92Å; M145-Y147 VanDerWaalsContact C-N 3.34Å; M145-Y147 PolarHBondContact O-N 2.63Å; Y147-M149 VanDerWaalsContact C-N 3.35Å; Y147-H151 WeakPolarHBondContact O-CA 3.12Å; Y147-H151 PolarHBondContact O-N 3.4Å; Y147-Q152 WeakPolarHBondContact CD2-O 3.26Å; Y147-K156 HydrophobicContact CD1-CB 4.21Å; Y147-K156 HydrophobicContact CD1-CG 4.4Å; Y147-K156 HydrophobicContact CD2-CB 3.7Å; Y147-K156 HydrophobicContact CE1-CB 4.33Å; Y147-K156 HydrophobicContact CE1-CD 4.2Å; Y147-K156 HydrophobicContact CE1-CG 4.22Å; Y147-K156 HydrophobicContact CE2-CB 3.84Å; Y147-K156 HydrophobicContact CE2-CD 4.2Å; Y147-K156 HydrophobicContact CE2-CG 4.41Å; Y147-K156 HydrophobicContact CG-CB 3.89Å
148	W	89.1	Confident	86.1	Confident	192 Å²	192	70.9 Å²	70.9	73%	0.727	35%	0.346	S	S	*	.	H	α-helix	trans	-62.6	-41.6	176	173	63.9	0	0	0	111.9	H144 M145	H144-W148 WeakPolarHBondContact O-CB 3.49Å; H144-W148 PolarHBondContact O-N 2.97Å; M145-W148 PolarHBondContact O-N 2.75Å
149	M	87.6	Confident	85.8	Confident	118 Å²	118	68.7 Å²	68.7	58%	0.581	33%	0.331	S	S	*	.	H	α-helix	trans	-74.6	-38.3	179.5	-70.3	-176.3	-75.6	0	0	113.9	M145 L146 Y147	M145-M149 HydrophobicContact CB-CE 4.23Å; M145-M149 WeakPolarHBondContact O-CE 3.32Å; M145-M149 WeakPolarHBondContact O-CG 3.44Å; M145-M149 PolarHBondContact O-N 2.75Å; L146-M149 HydrophobicContact CD2-CE 4.01Å; L146-M149 PolarHBondContact O-N 3.41Å; Y147-M149 VanDerWaalsContact C-N 3.35Å
150	T	87.5	Confident	85.5	Confident	57 Å²	57	68 Å²	68	35%	0.35	33%	0.33	S	S	.	.	H	α-helix	trans	-108.9	-15.3	-169.4	68.8	0	0	0	0	114.2	L146 Q152 F155	L146-T150 WeakPolarHBondContact O-CB 3.49Å; L146-T150 WeakPolarHBondContact O-CG2 3.39Å; L146-T150 PolarHBondContact O-N 3.41Å; L146-T150 PolarHBondContact O-OG1 3.01Å; T150-Q152 PolarHBondContact O-N 3.43Å; T150-Q152 PolarHBondContact OG1-N 2.88Å; T150-F155 HydrophobicContact CG2-CD2 4.49Å; T150-F155 HydrophobicContact CG2-CE2 4.02Å; T150-F155 WeakPolarHBondContact OG1-CD2 3.49Å; T150-F155 WeakPolarHBondContact OG1-CE2 3.36Å
151	H	84.4	Confident	85.2	Confident	135 Å²	135	66.1 Å²	66.1	63%	0.625	32%	0.321	S	S	*	.			trans	53.2	17.5	-170.4	-62.3	-67.4	0	0	0	115.3	Y147	Y147-H151 WeakPolarHBondContact O-CA 3.12Å; Y147-H151 PolarHBondContact O-N 3.4Å
152	Q	82.1	Confident	85	Confident	93 Å²	93	66.2 Å²	66.2	44%	0.435	32%	0.316	S	S	.	.			trans	-79.9	130	-179	-63.5	-177.4	-1.8	0	0	112.5	Y147 T150 R154 F155 K156	Y147-Q152 WeakPolarHBondContact CD2-O 3.26Å; T150-Q152 PolarHBondContact O-N 3.43Å; T150-Q152 PolarHBondContact OG1-N 2.88Å; Q152-R154 HydrophobicContact CB-CG 4.21Å; Q152-R154 PolarHBondContact O-N 3.2Å; Q152-F155 HydrophobicContact CB-CD2 3.83Å; Q152-F155 HydrophobicContact CB-CE2 4.18Å; Q152-F155 HydrophobicContact CG-CE2 4.5Å; Q152-F155 PolarHBondContact O-N 2.93Å; Q152-F155 VanDerWaalsContact O-N 3.07Å; Q152-K156 PolarHBondContact O-N 3.44Å
153	S	81.7	Confident	84.9	Confident	41 Å²	41	64.4 Å²	64.4	29%	0.287	30%	0.301	S	S	.	.	H	α-helix	trans	-53.9	-30.6	179.1	-63.3	0	0	0	0	114.1	F155 K156 A157 A317	S153-F155 VanDerWaalsContact C-N 3.33Å; S153-F155 PolarHBondContact O-N 2.83Å; S153-K156 WeakPolarHBondContact O-CB 3.04Å; S153-K156 PolarHBondContact O-N 3.41Å; S153-A157 PolarHBondContact O-N 2.92Å; S153-A317 WeakPolarHBondContact O-CB 3.3Å
154	R	84.3	Confident	84.9	Confident	131 Å²	131	68.3 Å²	68.3	49%	0.494	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-40.4	178.5	76.6	-179.4	-145.5	167.3	7.6	112.7	Q152 A157 L158 F226	Q152-R154 HydrophobicContact CB-CG 4.21Å; Q152-R154 PolarHBondContact O-N 3.2Å; R154-A157 WeakPolarHBondContact O-CB 3.4Å; R154-A157 PolarHBondContact O-N 3.44Å; R154-L158 PolarHBondContact O-N 3.3Å; R154-L158 VanDerWaalsContact O-N 3.11Å; R154-F226 HydrophobicContact CB-CB 4.2Å; R154-F226 HydrophobicContact CB-CD1 3.94Å; R154-F226 HydrophobicContact CB-CD2 3.85Å; R154-F226 HydrophobicContact CB-CE1 4.27Å; R154-F226 HydrophobicContact CB-CE2 4.18Å; R154-F226 HydrophobicContact CB-CG 3.72Å; R154-F226 HydrophobicContact CB-CZ 4.38Å
155	F	84	Confident	85	Confident	23 Å²	23	64.7 Å²	64.7	10%	0.101	30%	0.303	C	S	.	.	H	α-helix	trans	-77.1	-31.1	179.7	-59.5	-59.4	0	0	0	111.1	L146 T150 Q152 S153 A157 L158 A159	L146-F155 HydrophobicContact CB-CB 3.97Å; L146-F155 HydrophobicContact CB-CD1 3.68Å; L146-F155 HydrophobicContact CB-CD2 3.82Å; L146-F155 HydrophobicContact CB-CE1 4.01Å; L146-F155 HydrophobicContact CB-CE2 4.13Å; L146-F155 HydrophobicContact CB-CG 3.56Å; L146-F155 HydrophobicContact CB-CZ 4.19Å; L146-F155 HydrophobicContact CD1-CD1 3.76Å; L146-F155 HydrophobicContact CD1-CE1 3.59Å; L146-F155 HydrophobicContact CD1-CZ 4.21Å; L146-F155 HydrophobicContact CG-CD1 4.34Å; L146-F155 HydrophobicContact CG-CE1 4.3Å; T150-F155 HydrophobicContact CG2-CD2 4.49Å; T150-F155 HydrophobicContact CG2-CE2 4.02Å; T150-F155 WeakPolarHBondContact OG1-CD2 3.49Å; T150-F155 WeakPolarHBondContact OG1-CE2 3.36Å; Q152-F155 HydrophobicContact CB-CD2 3.83Å; Q152-F155 HydrophobicContact CB-CE2 4.18Å; Q152-F155 HydrophobicContact CG-CE2 4.5Å; Q152-F155 PolarHBondContact O-N 2.93Å; Q152-F155 VanDerWaalsContact O-N 3.07Å; S153-F155 VanDerWaalsContact C-N 3.33Å; S153-F155 PolarHBondContact O-N 2.83Å; F155-A157 VanDerWaalsContact C-N 3.32Å; F155-L158 PolarHBondContact O-N 3.25Å; F155-A159 VanDerWaalsContact O-CB 3.31Å; F155-A159 WeakPolarHBondContact O-CB 3.4Å; F155-A159 PolarHBondContact O-N 3.18Å
156	K	82.2	Confident	84.9	Confident	31 Å²	31	61.2 Å²	61.2	14%	0.135	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-40.7	168.4	-172.9	-177.2	178	-164.7	0	111.8	Y147 Q152 S153 A159 S160 A317	Y147-K156 HydrophobicContact CD1-CB 4.21Å; Y147-K156 HydrophobicContact CD1-CG 4.4Å; Y147-K156 HydrophobicContact CD2-CB 3.7Å; Y147-K156 HydrophobicContact CE1-CB 4.33Å; Y147-K156 HydrophobicContact CE1-CD 4.2Å; Y147-K156 HydrophobicContact CE1-CG 4.22Å; Y147-K156 HydrophobicContact CE2-CB 3.84Å; Y147-K156 HydrophobicContact CE2-CD 4.2Å; Y147-K156 HydrophobicContact CE2-CG 4.41Å; Y147-K156 HydrophobicContact CG-CB 3.89Å; Q152-K156 PolarHBondContact O-N 3.44Å; S153-K156 WeakPolarHBondContact O-CB 3.04Å; S153-K156 PolarHBondContact O-N 3.41Å; K156-A159 PolarHBondContact O-N 3.22Å; K156-S160 WeakPolarHBondContact O-CB 3.43Å; K156-S160 PolarHBondContact O-N 2.98Å; K156-S160 PolarHBondContact O-OG 3.3Å; K156-A317 HydrophobicContact CB-CB 3.99Å; K156-A317 HydrophobicContact CD-CB 4.11Å; K156-A317 WeakPolarHBondContact CE-O 3.48Å; K156-A317 HydrophobicContact CG-CB 4.07Å; K156-A317 PolarHBondContact NZ-O 3.42Å
157	A	82.7	Confident	85	Confident	8 Å²	8	59.9 Å²	59.9	7%	0.066	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-45.1	176.1	0	0	0	0	0	111.3	S153 R154 F155 S160 Y161 F226 A317	S153-A157 PolarHBondContact O-N 2.92Å; R154-A157 WeakPolarHBondContact O-CB 3.4Å; R154-A157 PolarHBondContact O-N 3.44Å; F155-A157 VanDerWaalsContact C-N 3.32Å; A157-S160 PolarHBondContact O-N 2.98Å; A157-Y161 PolarHBondContact O-N 3.44Å; A157-F226 HydrophobicContact CB-CE2 3.54Å; A157-F226 HydrophobicContact CB-CZ 3.97Å; A157-A317 HydrophobicContact CB-CB 3.77Å
158	L	81.9	Confident	85.4	Confident	51 Å²	51	56.2 Å²	56.2	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-60.1	-46.4	174.5	-178.5	63	0	0	0	111.9	M139 R154 F155 S160 Y161	M139-L158 HydrophobicContact CE-CD1 4.03Å; R154-L158 PolarHBondContact O-N 3.3Å; R154-L158 VanDerWaalsContact O-N 3.11Å; F155-L158 PolarHBondContact O-N 3.25Å; L158-S160 VanDerWaalsContact C-N 3.25Å; L158-S160 PolarHBondContact O-N 2.82Å; L158-Y161 WeakPolarHBondContact O-CB 3.38Å; L158-Y161 PolarHBondContact O-N 3.37Å
159	A	81.3	Confident	85.6	Confident	3 Å²	3	47.1 Å²	47.1	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-33.9	178	0	0	0	0	0	112.9	K140 F155 K156	K140-A159 WeakPolarHBondContact CE-O 3.12Å; F155-A159 VanDerWaalsContact O-CB 3.31Å; F155-A159 WeakPolarHBondContact O-CB 3.4Å; F155-A159 PolarHBondContact O-N 3.18Å; K156-A159 PolarHBondContact O-N 3.22Å
160	S	81.3	Confident	86	Confident	18 Å²	18	41.5 Å²	41.5	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-91.7	-6.2	-178.3	-50.2	0	0	0	0	112.9	K156 A157 L158 H162 L318 G321	K156-S160 WeakPolarHBondContact O-CB 3.43Å; K156-S160 PolarHBondContact O-N 2.98Å; K156-S160 PolarHBondContact O-OG 3.3Å; A157-S160 PolarHBondContact O-N 2.98Å; L158-S160 VanDerWaalsContact C-N 3.25Å; L158-S160 PolarHBondContact O-N 2.82Å; S160-H162 PolarHBondContact O-N 2.82Å; S160-L318 WeakPolarHBondContact CB-O 3.49Å; S160-G321 WeakPolarHBondContact O-CA 3.35Å
161	Y	82	Confident	86.5	Confident	18 Å²	18	38.8 Å²	38.8	7%	0.071	19%	0.192	C	C	.	.			trans	-59.4	137.5	-173.8	-159.6	-72.3	0	0	0	110.8	F136 K140 A157 L158 F163 L167 G221 I234 Y323	F136-Y161 AromaticContact CE2-CD1 3.97Å; F136-Y161 HydrophobicContact CE2-CD1 3.97Å; F136-Y161 AromaticContact CZ-CD1 3.68Å; F136-Y161 HydrophobicContact CZ-CD1 3.68Å; F136-Y161 HydrophobicContact CZ-CG 4.29Å; F136-Y161 WeakPolarHBondContact CZ-O 3.23Å; K140-Y161 PolarHBondContact NZ-O 2.91Å; A157-Y161 PolarHBondContact O-N 3.44Å; L158-Y161 WeakPolarHBondContact O-CB 3.38Å; L158-Y161 PolarHBondContact O-N 3.37Å; Y161-F163 HydrophobicContact CD1-CD1 4.4Å; Y161-F163 HydrophobicContact CD1-CE1 4.35Å; Y161-F163 AromaticContact CE1-CD1 3.59Å; Y161-F163 HydrophobicContact CE1-CD1 3.59Å; Y161-F163 AromaticContact CE1-CE1 3.52Å; Y161-F163 HydrophobicContact CE1-CE1 3.52Å; Y161-F163 HydrophobicContact CE1-CG 4.29Å; Y161-F163 HydrophobicContact CE1-CZ 4.16Å; Y161-L167 HydrophobicContact CE1-CD1 4.3Å; Y161-G221 VanDerWaalsContact OH-CA 3.25Å; Y161-G221 WeakPolarHBondContact OH-CA 3.37Å; Y161-G221 PolarHBondContact OH-O 2.97Å; Y161-I234 HydrophobicContact CE2-CD1 4.44Å; Y161-Y323 HydrophobicContact CD2-CD2 4.39Å; Y161-Y323 HydrophobicContact CE2-CD2 4.33Å
162	H	84.5	Confident	87.1	Confident	79 Å²	79	32.4 Å²	32.4	37%	0.366	16%	0.162	S	C	.	.			trans	-144.4	124.9	178.8	-167.8	71.5	0	0	0	110.3	N131 S160 K164	N131-H162 PolarHBondContact ND2-CE1 3.31Å; N131-H162 PolarHBondContact ND2-NE2 3.39Å; N131-H162 PolarHBondContact OD1-ND1 3.49Å; S160-H162 PolarHBondContact O-N 2.82Å; H162-K164 PolarHBondContact O-N 3.29Å
163	F	86.9	Confident	87.8	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.018	15%	0.149	C	C	.	.			trans	-71.8	129.1	177.4	-70.6	-60	0	0	0	110.6	A127 L130 N131 F136 Y161 I170 L238	A127-F163 HydrophobicContact CB-CB 4.5Å; L130-F163 HydrophobicContact CB-CD2 3.86Å; L130-F163 HydrophobicContact CB-CE2 4.2Å; N131-F163 PolarHBondContact ND2-O 3.46Å; N131-F163 PolarHBondContact OD1-N 2.9Å; F136-F163 HydrophobicContact CD1-CD2 4.26Å; F136-F163 HydrophobicContact CD1-CE2 4.2Å; F136-F163 HydrophobicContact CD2-CD2 4.22Å; F136-F163 AromaticContact CD2-CE2 3.4Å; F136-F163 HydrophobicContact CD2-CE2 3.4Å; F136-F163 VanDerWaalsContact CD2-CE2 3.4Å; F136-F163 HydrophobicContact CD2-CZ 4.04Å; F136-F163 HydrophobicContact CE1-CD2 4.04Å; F136-F163 HydrophobicContact CE1-CE2 4.17Å; F136-F163 HydrophobicContact CE2-CD2 4.04Å; F136-F163 AromaticContact CE2-CE2 3.39Å; F136-F163 HydrophobicContact CE2-CE2 3.39Å; F136-F163 AromaticContact CE2-CZ 3.83Å; F136-F163 HydrophobicContact CE2-CZ 3.83Å; F136-F163 HydrophobicContact CG-CD2 4.34Å; F136-F163 AromaticContact CG-CE2 3.83Å; F136-F163 HydrophobicContact CG-CE2 3.83Å; F136-F163 AromaticContact CZ-CD2 3.96Å; F136-F163 HydrophobicContact CZ-CD2 3.96Å; F136-F163 AromaticContact CZ-CE2 3.81Å; F136-F163 HydrophobicContact CZ-CE2 3.81Å; F136-F163 HydrophobicContact CZ-CZ 4.46Å; Y161-F163 HydrophobicContact CD1-CD1 4.4Å; Y161-F163 HydrophobicContact CD1-CE1 4.35Å; Y161-F163 AromaticContact CE1-CD1 3.59Å; Y161-F163 HydrophobicContact CE1-CD1 3.59Å; Y161-F163 AromaticContact CE1-CE1 3.52Å; Y161-F163 HydrophobicContact CE1-CE1 3.52Å; Y161-F163 HydrophobicContact CE1-CG 4.29Å; Y161-F163 HydrophobicContact CE1-CZ 4.16Å; F163-I170 HydrophobicContact CB-CD1 3.84Å; F163-I170 HydrophobicContact CB-CG1 3.84Å; F163-I170 HydrophobicContact CD1-CD1 3.26Å; F163-I170 HydrophobicContact CD1-CG1 3.58Å; F163-I170 HydrophobicContact CD2-CD1 4.33Å; F163-I170 HydrophobicContact CE1-CD1 3.82Å; F163-I170 HydrophobicContact CE1-CG1 4.44Å; F163-I170 HydrophobicContact CG-CD1 3.57Å; F163-I170 HydrophobicContact CG-CG1 3.99Å; F163-L238 HydrophobicContact CE1-CD1 4.28Å; F163-L238 HydrophobicContact CE1-CD2 4.35Å; F163-L238 HydrophobicContact CZ-CD2 4.1Å
164	K	86.4	Confident	88.5	Confident	81 Å²	81	30.2 Å²	30.2	35%	0.352	15%	0.145	S	C	.	.			trans	-129.8	151.6	176.9	-63.2	178.7	-176.2	172.5	0	108.8	H162 A166 L167	H162-K164 PolarHBondContact O-N 3.29Å; K164-A166 PolarHBondContact O-N 2.68Å; K164-L167 WeakPolarHBondContact O-CB 3.49Å; K164-L167 PolarHBondContact O-N 2.92Å
165	T	89.2	Confident	89.1	Confident	29 Å²	29	24.5 Å²	24.5	18%	0.178	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.8	178.8	52.6	0	0	0	0	112.6	L124 L167 R171	L124-T165 VanDerWaalsContact CA-CG2 3.45Å; L124-T165 HydrophobicContact CB-CG2 3.87Å; L124-T165 HydrophobicContact CD1-CG2 4.14Å; T165-L167 PolarHBondContact O-N 3.47Å; T165-L167 VanDerWaalsContact O-N 3.13Å; T165-R171 VanDerWaalsContact O-CD 3.32Å; T165-R171 WeakPolarHBondContact O-CD 3.06Å; T165-R171 PolarHBondContact O-NE 2.65Å
166	A	87.1	Confident	89.7	Confident	38 Å²	38	23.6 Å²	23.6	31%	0.314	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.4	175.8	0	0	0	0	0	113.8	N99 K164 R171	N99-A166 WeakPolarHBondContact CB-O 3.48Å; N99-A166 PolarHBondContact ND2-O 2.74Å; K164-A166 PolarHBondContact O-N 2.68Å; A166-R171 PolarHBondContact O-NH2 3.25Å
167	L	91.4	Very high	90.4	Very high	31 Å²	31	25.9 Å²	25.9	16%	0.162	13%	0.134	C	C	.	.	S	Bend	trans	-77.3	130.2	178.3	-60.8	177.3	0	0	0	111.2	Y161 K164 T165 C169 I170 R171	Y161-L167 HydrophobicContact CE1-CD1 4.3Å; K164-L167 WeakPolarHBondContact O-CB 3.49Å; K164-L167 PolarHBondContact O-N 2.92Å; T165-L167 PolarHBondContact O-N 3.47Å; T165-L167 VanDerWaalsContact O-N 3.13Å; L167-C169 PolarHBondContact O-N 2.73Å; L167-I170 PolarHBondContact O-N 3.27Å; L167-R171 PolarHBondContact O-N 2.92Å
168	A	94.8	Very high	90.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-34.2	178.6	0	0	0	0	0	112.7	N99 L101 I170 R171 L172 Y193 T220	N99-A168 PolarHBondContact OD1-N 2.89Å; L101-A168 HydrophobicContact CB-CB 4.48Å; L101-A168 HydrophobicContact CD2-CB 3.98Å; L101-A168 VanDerWaalsContact CD2-O 3.24Å; L101-A168 WeakPolarHBondContact CD2-O 3.23Å; A168-I170 VanDerWaalsContact C-N 3.25Å; A168-I170 PolarHBondContact O-N 3.2Å; A168-R171 PolarHBondContact O-N 2.91Å; A168-L172 WeakPolarHBondContact O-CB 3.04Å; A168-L172 PolarHBondContact O-N 3.07Å; A168-Y193 VanDerWaalsContact CB-OH 3.3Å; A168-Y193 WeakPolarHBondContact CB-OH 3.34Å; A168-T220 PolarHBondContact N-O 3.05Å
169	C	95.1	Very high	91.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.2	-38	179.3	68.3	0	0	0	0	113.5	L167 K173 T220 M222 L238	L167-C169 PolarHBondContact O-N 2.73Å; C169-K173 WeakPolarHBondContact O-CB 3.33Å; C169-K173 PolarHBondContact O-N 3Å; C169-T220 PolarHBondContact N-O 3.01Å; C169-M222 HydrophobicContact CB-CG 3.33Å; C169-M222 HydrophobicContact CB-SD 4.08Å; C169-L238 HydrophobicContact CB-CD1 3.71Å
170	I	95.6	Very high	92	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-78.3	-41.9	-178.1	-68.2	-51.2	0	0	0	111.5	L126 A127 L130 F163 L167 A168 L172 K173 Y174 L238	L126-I170 HydrophobicContact CD2-CG2 4.44Å; A127-I170 HydrophobicContact CB-CG2 4.1Å; L130-I170 HydrophobicContact CD1-CD1 3.53Å; F163-I170 HydrophobicContact CB-CD1 3.84Å; F163-I170 HydrophobicContact CB-CG1 3.84Å; F163-I170 HydrophobicContact CD1-CD1 3.26Å; F163-I170 HydrophobicContact CD1-CG1 3.58Å; F163-I170 HydrophobicContact CD2-CD1 4.33Å; F163-I170 HydrophobicContact CE1-CD1 3.82Å; F163-I170 HydrophobicContact CE1-CG1 4.44Å; F163-I170 HydrophobicContact CG-CD1 3.57Å; F163-I170 HydrophobicContact CG-CG1 3.99Å; L167-I170 PolarHBondContact O-N 3.27Å; A168-I170 VanDerWaalsContact C-N 3.25Å; A168-I170 PolarHBondContact O-N 3.2Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-K173 PolarHBondContact O-N 3.14Å; I170-Y174 WeakPolarHBondContact O-CB 3.41Å; I170-Y174 PolarHBondContact O-N 3.3Å; I170-L238 HydrophobicContact CD1-CD2 4.18Å
171	R	97	Very high	92.6	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-36.4	175	-76	176.7	-74.7	125.1	7.1	111.8	N99 L101 I116 T117 S123 T165 A166 L167 A168 Y174 L175	N99-R171 PolarHBondContact O-NH1 2.79Å; N99-R171 PolarHBondContact O-NH2 2.94Å; L101-R171 HydrophobicContact CD2-CB 3.64Å; I116-R171 HydrophobicContact CG2-CB 4.38Å; I116-R171 HydrophobicContact CG2-CG 4.43Å; I116-R171 PolarHBondContact O-NH1 3.48Å; T117-R171 PolarHBondContact O-NH1 2.75Å; S123-R171 WeakPolarHBondContact OG-CG 3.04Å; T165-R171 VanDerWaalsContact O-CD 3.32Å; T165-R171 WeakPolarHBondContact O-CD 3.06Å; T165-R171 PolarHBondContact O-NE 2.65Å; A166-R171 PolarHBondContact O-NH2 3.25Å; L167-R171 PolarHBondContact O-N 2.92Å; A168-R171 PolarHBondContact O-N 2.91Å; R171-Y174 PolarHBondContact O-N 2.97Å; R171-L175 WeakPolarHBondContact O-CB 3.35Å; R171-L175 PolarHBondContact O-N 2.68Å
172	L	97.7	Very high	93.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-46.5	172.7	179.8	59.3	0	0	0	111.4	L101 L103 A168 I170 Y174 L175 L176 Y193 M222 I240 I244	L101-L172 HydrophobicContact CD1-CD1 4.49Å; L101-L172 HydrophobicContact CD2-CB 4.13Å; L103-L172 HydrophobicContact CD1-CD1 4.26Å; L103-L172 HydrophobicContact CD2-CD1 4.08Å; L103-L172 HydrophobicContact CG-CD1 4.41Å; A168-L172 WeakPolarHBondContact O-CB 3.04Å; A168-L172 PolarHBondContact O-N 3.07Å; I170-L172 VanDerWaalsContact C-N 3.33Å; L172-Y174 VanDerWaalsContact C-N 3.32Å; L172-Y174 PolarHBondContact O-N 3.16Å; L172-L175 HydrophobicContact CD1-CD2 4.38Å; L172-L175 PolarHBondContact O-N 3.44Å; L172-L176 HydrophobicContact CD1-CD1 4.11Å; L172-L176 HydrophobicContact CD1-CG 4.06Å; L172-L176 HydrophobicContact CG-CD1 4.07Å; L172-L176 HydrophobicContact CG-CG 4.41Å; L172-L176 WeakPolarHBondContact O-CG 3.44Å; L172-L176 PolarHBondContact O-N 3.32Å; L172-Y193 HydrophobicContact CD1-CD2 4.17Å; L172-Y193 HydrophobicContact CD2-CD2 3.63Å; L172-Y193 HydrophobicContact CD2-CE2 3.85Å; L172-Y193 HydrophobicContact CD2-CG 4.37Å; L172-Y193 HydrophobicContact CG-CD2 4.43Å; L172-M222 HydrophobicContact CD2-CE 4.39Å; L172-M222 HydrophobicContact CD2-SD 4.27Å; L172-I240 HydrophobicContact CD2-CD1 4.02Å; L172-I240 HydrophobicContact CD2-CG1 4.23Å; L172-I240 HydrophobicContact CD2-CG2 3.78Å; L172-I240 HydrophobicContact CG-CD1 4.38Å; L172-I244 HydrophobicContact CD2-CD1 4.5Å
173	K	97	Very high	93.8	Very high	38 Å²	38	41.7 Å²	41.7	17%	0.165	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-43.9	176.2	178.9	52.6	165.2	-179.2	0	111.8	L126 C169 I170 L176 N177 L238	L126-K173 HydrophobicContact CD2-CB 4.05Å; L126-K173 HydrophobicContact CD2-CG 3.83Å; C169-K173 WeakPolarHBondContact O-CB 3.33Å; C169-K173 PolarHBondContact O-N 3Å; I170-K173 PolarHBondContact O-N 3.14Å; K173-L176 PolarHBondContact O-N 3.13Å; K173-N177 WeakPolarHBondContact CE-OD1 3.22Å; K173-N177 PolarHBondContact NZ-OD1 3.24Å; K173-N177 VanDerWaalsContact O-CG 3.26Å; K173-N177 PolarHBondContact O-N 2.93Å; K173-N177 PolarHBondContact O-OD1 3.12Å; K173-L238 WeakPolarHBondContact CD-O 3.24Å; K173-L238 WeakPolarHBondContact CE-O 3.47Å; K173-L238 HydrophobicContact CG-CD2 4.46Å; K173-L238 PolarHBondContact NZ-O 3.1Å
174	Y	97	Very high	94.2	Very high	50 Å²	50	45.2 Å²	45.2	20%	0.196	23%	0.226	C	C	.	.	H	α-helix	trans	-56.2	-53.2	174.5	174.2	-92.3	0	0	0	111.2	R122 I170 R171 L172 L176 N177 E178	R122-Y174 HydrophobicContact CB-CE1 3.94Å; R122-Y174 HydrophobicContact CB-CE2 4.24Å; I170-Y174 WeakPolarHBondContact O-CB 3.41Å; I170-Y174 PolarHBondContact O-N 3.3Å; R171-Y174 PolarHBondContact O-N 2.97Å; L172-Y174 VanDerWaalsContact C-N 3.32Å; L172-Y174 PolarHBondContact O-N 3.16Å; Y174-L176 VanDerWaalsContact C-N 3.33Å; Y174-L176 PolarHBondContact O-N 2.9Å; Y174-N177 WeakPolarHBondContact O-CB 3.47Å; Y174-N177 PolarHBondContact O-N 3.43Å; Y174-N177 VanDerWaalsContact O-N 3.16Å; Y174-E178 HydrophobicContact CD1-CG 4.38Å; Y174-E178 HydrophobicContact CE1-CG 3.93Å; Y174-E178 HydrophobicContact CE2-CG 4.3Å; Y174-E178 WeakPolarHBondContact O-CG 3.43Å; Y174-E178 PolarHBondContact O-N 3.3Å
175	L	96.9	Very high	94.7	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-56.6	-43.7	178.7	170.1	65.8	0	0	0	112.9	L101 L103 T113 I116 R171 L172 N177 E178 K179 L182	L101-L175 HydrophobicContact CD1-CD2 4.16Å; L103-L175 HydrophobicContact CD1-CD2 4.01Å; L103-L175 HydrophobicContact CG-CD2 4.31Å; T113-L175 HydrophobicContact CG2-CD1 3.96Å; T113-L175 HydrophobicContact CG2-CD2 3.8Å; T113-L175 HydrophobicContact CG2-CG 4.39Å; I116-L175 HydrophobicContact CD1-CB 4.13Å; I116-L175 HydrophobicContact CD1-CD1 4.26Å; I116-L175 HydrophobicContact CD1-CD2 4.01Å; I116-L175 HydrophobicContact CD1-CG 4.35Å; R171-L175 WeakPolarHBondContact O-CB 3.35Å; R171-L175 PolarHBondContact O-N 2.68Å; L172-L175 HydrophobicContact CD1-CD2 4.38Å; L172-L175 PolarHBondContact O-N 3.44Å; L175-N177 VanDerWaalsContact C-N 3.35Å; L175-E178 PolarHBondContact O-N 2.52Å; L175-K179 HydrophobicContact CD1-CD 4Å; L175-K179 PolarHBondContact O-N 3.32Å; L175-L182 HydrophobicContact CD1-CD1 4.42Å
176	L	96.5	Very high	95.1	Very high	4 Å²	4	42 Å²	42	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-70	-30.9	-180	-68.4	177.7	0	0	0	112.8	L103 L172 K173 Y174 K179 L182 I183	L103-L176 HydrophobicContact CD1-CD2 4.17Å; L172-L176 HydrophobicContact CD1-CD1 4.11Å; L172-L176 HydrophobicContact CD1-CG 4.06Å; L172-L176 HydrophobicContact CG-CD1 4.07Å; L172-L176 HydrophobicContact CG-CG 4.41Å; L172-L176 WeakPolarHBondContact O-CG 3.44Å; L172-L176 PolarHBondContact O-N 3.32Å; K173-L176 PolarHBondContact O-N 3.13Å; Y174-L176 VanDerWaalsContact C-N 3.33Å; Y174-L176 PolarHBondContact O-N 2.9Å; L176-K179 CarbonylContact O-C 3.59Å; L176-L182 HydrophobicContact CD2-CB 4.14Å; L176-I183 HydrophobicContact CB-CB 4.49Å; L176-I183 HydrophobicContact CD2-CB 4.32Å
177	N	95.3	Very high	95.6	Very high	79 Å²	79	47.1 Å²	47.1	42%	0.422	22%	0.222	S	C	.	.	H	α-helix	trans	-68.8	-40.9	172.9	-71.9	-4.9	0	0	0	111.2	K173 Y174 L175 K179	K173-N177 WeakPolarHBondContact CE-OD1 3.22Å; K173-N177 PolarHBondContact NZ-OD1 3.24Å; K173-N177 VanDerWaalsContact O-CG 3.26Å; K173-N177 PolarHBondContact O-N 2.93Å; K173-N177 PolarHBondContact O-OD1 3.12Å; Y174-N177 WeakPolarHBondContact O-CB 3.47Å; Y174-N177 PolarHBondContact O-N 3.43Å; Y174-N177 VanDerWaalsContact O-N 3.16Å; L175-N177 VanDerWaalsContact C-N 3.35Å; N177-K179 VanDerWaalsContact C-N 3.29Å; N177-K179 PolarHBondContact O-N 2.93Å
178	E	94.3	Very high	95.8	Very high	124 Å²	124	53.1 Å²	53.1	58%	0.579	25%	0.247	S	C	*	.	H	α-helix	trans	-70.7	-24.3	178.8	-69.9	-61.8	114	0	0	112.9	Y174 L175	Y174-E178 HydrophobicContact CD1-CG 4.38Å; Y174-E178 HydrophobicContact CE1-CG 3.93Å; Y174-E178 HydrophobicContact CE2-CG 4.3Å; Y174-E178 WeakPolarHBondContact O-CG 3.43Å; Y174-E178 PolarHBondContact O-N 3.3Å; L175-E178 PolarHBondContact O-N 2.52Å
179	K	94.3	Very high	95.9	Very high	97 Å²	97	54.2 Å²	54.2	42%	0.422	26%	0.258	S	S	.	.			trans	-128.2	79.2	-176.1	-63.5	-172.5	176.8	-176.4	0	112.2	L175 L176 N177 K181 L182	L175-K179 HydrophobicContact CD1-CD 4Å; L175-K179 PolarHBondContact O-N 3.32Å; L176-K179 CarbonylContact O-C 3.59Å; N177-K179 VanDerWaalsContact C-N 3.29Å; N177-K179 PolarHBondContact O-N 2.93Å; K179-K181 VanDerWaalsContact C-N 3.26Å; K179-K181 PolarHBondContact O-N 2.84Å; K179-K181 VanDerWaalsContact O-N 3.13Å; K179-L182 HydrophobicContact CB-CB 4.21Å; K179-L182 HydrophobicContact CB-CD1 3.68Å; K179-L182 HydrophobicContact CB-CG 3.84Å; K179-L182 HydrophobicContact CD-CD1 3.48Å; K179-L182 VanDerWaalsContact CD-CD1 3.48Å; K179-L182 HydrophobicContact CD-CG 4.27Å; K179-L182 HydrophobicContact CG-CD1 4.2Å; K179-L182 WeakPolarHBondContact O-CB 3.47Å; K179-L182 PolarHBondContact O-N 3.06Å
180	P	91.5	Very high	96	Very high	86 Å²	86	57.5 Å²	57.5	56%	0.558	28%	0.275	S	S	*	.	H	α-helix	trans	-55.9	-32.3	-177.9	-28.6	35.8	0	0	0	115.2	L182 I183 D184	P180-L182 VanDerWaalsContact C-N 3.27Å; P180-L182 PolarHBondContact O-N 3.15Å; P180-I183 WeakPolarHBondContact O-CG2 3.24Å; P180-I183 PolarHBondContact O-N 3.14Å; P180-D184 PolarHBondContact O-N 3.21Å
181	K	94.9	Very high	96.1	Very high	171 Å²	171	57.6 Å²	57.6	74%	0.743	28%	0.276	S	S	*	.	H	α-helix	trans	-62.6	-34.6	175.4	-67.6	-176.7	178.9	179.9	0	112.5	K179 D184 E185	K179-K181 VanDerWaalsContact C-N 3.26Å; K179-K181 PolarHBondContact O-N 2.84Å; K179-K181 VanDerWaalsContact O-N 3.13Å; K181-D184 PolarHBondContact O-N 2.93Å; K181-E185 WeakPolarHBondContact O-CG 3.22Å; K181-E185 PolarHBondContact O-N 3.1Å
182	L	95.6	Very high	96.2	Very high	8 Å²	8	57.6 Å²	57.6	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-37.3	179.2	-66.5	-177.6	0	0	0	111.7	L103 R112 T113 L175 L176 K179 P180 D184 E185 C186 L191	L103-L182 HydrophobicContact CD1-CD1 4.31Å; R112-L182 HydrophobicContact CB-CD2 4.13Å; T113-L182 HydrophobicContact CG2-CD1 3.77Å; L175-L182 HydrophobicContact CD1-CD1 4.42Å; L176-L182 HydrophobicContact CD2-CB 4.14Å; K179-L182 HydrophobicContact CB-CB 4.21Å; K179-L182 HydrophobicContact CB-CD1 3.68Å; K179-L182 HydrophobicContact CB-CG 3.84Å; K179-L182 HydrophobicContact CD-CD1 3.48Å; K179-L182 VanDerWaalsContact CD-CD1 3.48Å; K179-L182 HydrophobicContact CD-CG 4.27Å; K179-L182 HydrophobicContact CG-CD1 4.2Å; K179-L182 WeakPolarHBondContact O-CB 3.47Å; K179-L182 PolarHBondContact O-N 3.06Å; P180-L182 VanDerWaalsContact C-N 3.27Å; P180-L182 PolarHBondContact O-N 3.15Å; L182-D184 VanDerWaalsContact C-N 3.29Å; L182-D184 PolarHBondContact O-N 3.45Å; L182-E185 PolarHBondContact O-N 3.04Å; L182-C186 WeakPolarHBondContact O-CB 3.31Å; L182-C186 PolarHBondContact O-N 3.47Å; L182-C186 PolarHBondContact O-SG 3.45Å; L182-L191 HydrophobicContact CB-CD1 4.47Å; L182-L191 HydrophobicContact CD2-CD1 3.88Å
183	I	95.3	Very high	96.2	Very high	23 Å²	23	57.7 Å²	57.7	12%	0.118	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-36.2	178.9	-171	167.1	0	0	0	111.6	L176 P180 C186 R187	L176-I183 HydrophobicContact CB-CB 4.49Å; L176-I183 HydrophobicContact CD2-CB 4.32Å; P180-I183 WeakPolarHBondContact O-CG2 3.24Å; P180-I183 PolarHBondContact O-N 3.14Å; I183-C186 PolarHBondContact O-N 2.98Å; I183-R187 VanDerWaalsContact O-CG 3.29Å; I183-R187 WeakPolarHBondContact O-CG 3.33Å; I183-R187 PolarHBondContact O-N 3.45Å
184	D	95.6	Very high	96.3	Very high	78 Å²	78	55.9 Å²	55.9	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-70	-39.2	177.4	-69.6	-22.8	0	0	0	112.1	P180 K181 L182 R187 K188	P180-D184 PolarHBondContact O-N 3.21Å; K181-D184 PolarHBondContact O-N 2.93Å; L182-D184 VanDerWaalsContact C-N 3.29Å; L182-D184 PolarHBondContact O-N 3.45Å; D184-R187 PolarHBondContact O-N 3.49Å; D184-R187 IonicContact OD1-NH1 3.74Å; D184-R187 PolarHBondContact OD1-NH1 3.42Å; D184-R187 VanDerWaalsContact OD1-NH1 3.17Å; D184-K188 VanDerWaalsContact O-CG 3.28Å; D184-K188 WeakPolarHBondContact O-CG 3.32Å; D184-K188 PolarHBondContact O-N 3.16Å
185	E	97.3	Very high	96.3	Very high	42 Å²	42	53.7 Å²	53.7	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-38.9	173.1	-67.2	172.7	175.7	0	0	112.2	R112 K181 L182 K188 G189 L190 L191	R112-E185 IonicContact CZ-OE1 2.86Å; R112-E185 IonicContact CZ-OE2 3.81Å; R112-E185 VanDerWaalsContact NH1-CD 3.29Å; R112-E185 IonicContact NH1-OE1 3.61Å; R112-E185 PolarHBondContact NH1-OE1 3.2Å; R112-E185 IonicContact NH1-OE2 3.45Å; R112-E185 PolarHBondContact NH1-OE2 3.22Å; R112-E185 IonicContact NH2-OE1 3.11Å; R112-E185 PolarHBondContact NH2-OE1 3.24Å; R112-E185 IonicContact NH2-OE2 3.66Å; R112-E185 PolarHBondContact NH2-OE2 2.88Å; K181-E185 WeakPolarHBondContact O-CG 3.22Å; K181-E185 PolarHBondContact O-N 3.1Å; L182-E185 PolarHBondContact O-N 3.04Å; E185-K188 PolarHBondContact O-N 3.03Å; E185-G189 PolarHBondContact O-N 3.4Å; E185-L190 HydrophobicContact CB-CB 4.39Å; E185-L190 HydrophobicContact CB-CD1 4.44Å; E185-L190 HydrophobicContact CG-CD1 4.38Å; E185-L190 PolarHBondContact O-N 3.08Å; E185-L191 HydrophobicContact CB-CD1 3.88Å; E185-L191 HydrophobicContact CB-CD2 4.43Å; E185-L191 HydrophobicContact CB-CG 3.85Å
186	C	97.6	Very high	96.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-47.1	171.7	-73.7	0	0	0	0	111.3	L182 I183 K188 G189 P241 N243 I244	L182-C186 WeakPolarHBondContact O-CB 3.31Å; L182-C186 PolarHBondContact O-N 3.47Å; L182-C186 PolarHBondContact O-SG 3.45Å; I183-C186 PolarHBondContact O-N 2.98Å; C186-K188 VanDerWaalsContact C-N 3.29Å; C186-K188 PolarHBondContact O-N 3.05Å; C186-G189 WeakPolarHBondContact O-CA 3.34Å; C186-G189 PolarHBondContact O-N 3.06Å; C186-P241 HydrophobicContact CB-CG 4.09Å; C186-N243 PolarHBondContact O-ND2 2.95Å; C186-N243 PolarHBondContact O-OD1 3.14Å; C186-I244 HydrophobicContact CB-CD1 4.29Å; C186-I244 HydrophobicContact CB-CG2 3.73Å; C186-I244 WeakPolarHBondContact O-CG2 3.46Å
187	R	96.1	Very high	96.4	Very high	147 Å²	147	53 Å²	53	56%	0.555	26%	0.257	S	S	*	.	H	α-helix	trans	-60	-39.9	177.5	-75	168.2	177.1	161.1	-5.3	112	I183 D184 G189 P241 N243	I183-R187 VanDerWaalsContact O-CG 3.29Å; I183-R187 WeakPolarHBondContact O-CG 3.33Å; I183-R187 PolarHBondContact O-N 3.45Å; D184-R187 PolarHBondContact O-N 3.49Å; D184-R187 IonicContact OD1-NH1 3.74Å; D184-R187 PolarHBondContact OD1-NH1 3.42Å; D184-R187 VanDerWaalsContact OD1-NH1 3.17Å; R187-G189 PolarHBondContact O-N 3.28Å; R187-P241 HydrophobicContact CG-CG 3.88Å; R187-N243 PolarHBondContact O-ND2 3.46Å
188	K	97	Very high	96.6	Very high	157 Å²	157	49.3 Å²	49.3	68%	0.683	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-5.5	174.5	-69.1	170.7	-176.4	176.9	0	113.7	D184 E185 C186 L190	D184-K188 VanDerWaalsContact O-CG 3.28Å; D184-K188 WeakPolarHBondContact O-CG 3.32Å; D184-K188 PolarHBondContact O-N 3.16Å; E185-K188 PolarHBondContact O-N 3.03Å; C186-K188 VanDerWaalsContact C-N 3.29Å; C186-K188 PolarHBondContact O-N 3.05Å; K188-L190 VanDerWaalsContact C-N 3.26Å; K188-L190 HydrophobicContact CB-CD1 4.05Å; K188-L190 HydrophobicContact CB-CG 3.85Å; K188-L190 HydrophobicContact CD-CD1 4.22Å; K188-L190 PolarHBondContact O-N 3.34Å
189	G	95.8	Very high	96.8	Very high	23 Å²	23	43.4 Å²	43.4	24%	0.237	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	22.6	-179.5	0	0	0	0	0	113.7	E185 C186 R187 N243	E185-G189 PolarHBondContact O-N 3.4Å; C186-G189 WeakPolarHBondContact O-CA 3.34Å; C186-G189 PolarHBondContact O-N 3.06Å; R187-G189 PolarHBondContact O-N 3.28Å; G189-N243 WeakPolarHBondContact CA-ND2 3.5Å
190	L	97.8	Very high	97	Very high	69 Å²	69	38.8 Å²	38.8	36%	0.361	19%	0.189	S	C	.	.			trans	-81.2	-23.3	179.6	-60.2	177.2	0	0	0	112.3	K106 E185 K188	K106-L190 VanDerWaalsContact CB-O 3.3Å; K106-L190 WeakPolarHBondContact CB-O 3.34Å; K106-L190 PolarHBondContact N-O 3.36Å; E185-L190 HydrophobicContact CB-CB 4.39Å; E185-L190 HydrophobicContact CB-CD1 4.44Å; E185-L190 HydrophobicContact CG-CD1 4.38Å; E185-L190 PolarHBondContact O-N 3.08Å; K188-L190 VanDerWaalsContact C-N 3.26Å; K188-L190 HydrophobicContact CB-CD1 4.05Å; K188-L190 HydrophobicContact CB-CG 3.85Å; K188-L190 HydrophobicContact CD-CD1 4.22Å; K188-L190 PolarHBondContact O-N 3.34Å
191	L	98.4	Very high	97.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.2	-177.2	-55	-173.7	0	0	0	111.6	L103 W104 D105 R112 L182 E185 I244	L103-L191 HydrophobicContact CD1-CD1 4.42Å; W104-L191 CarbonylContact O-C 3.57Å; W104-L191 VanDerWaalsContact O-CA 3.29Å; W104-L191 WeakPolarHBondContact O-CA 3.22Å; D105-L191 HydrophobicContact CB-CD2 4.37Å; R112-L191 HydrophobicContact CG-CD2 3.8Å; L182-L191 HydrophobicContact CB-CD1 4.47Å; L182-L191 HydrophobicContact CD2-CD1 3.88Å; E185-L191 HydrophobicContact CB-CD1 3.88Å; E185-L191 HydrophobicContact CB-CD2 4.43Å; E185-L191 HydrophobicContact CB-CG 3.85Å; L191-I244 WeakPolarHBondContact O-CB 3.42Å; L191-I244 VanDerWaalsContact O-CG2 3.32Å; L191-I244 WeakPolarHBondContact O-CG2 3.42Å
192	C	98.5	Very high	97.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	138.4	165.1	-67.7	0	0	0	0	109.2	L103 W104 F210	L103-C192 VanDerWaalsContact CA-O 3.3Å; L103-C192 WeakPolarHBondContact CA-O 3.4Å; W104-C192 HydrophobicContact CD2-CB 3.82Å; W104-C192 HydrophobicContact CE3-CB 4.33Å; W104-C192 HydrophobicContact CG-CB 4.33Å; W104-C192 HydrophobicContact CH2-CB 4.09Å; W104-C192 HydrophobicContact CZ2-CB 3.52Å; W104-C192 HydrophobicContact CZ3-CB 4.46Å; W104-C192 PolarHBondContact N-O 3.19Å; W104-C192 VanDerWaalsContact N-O 3.16Å; W104-C192 PolarHBondContact O-N 2.93Å; C192-F210 HydrophobicContact CB-CD2 4.38Å; C192-F210 HydrophobicContact CB-CE1 4.43Å; C192-F210 HydrophobicContact CB-CE2 3.74Å; C192-F210 HydrophobicContact CB-CZ 3.78Å
193	Y	98.2	Very high	97.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	142.2	161.7	162.7	-86	0	0	0	109.1	L101 L103 A168 L172 F210 M222 I244 L245 P246	L101-Y193 HydrophobicContact CB-CE2 3.76Å; L101-Y193 HydrophobicContact CD2-CE2 4.48Å; L101-Y193 HydrophobicContact CG-CE2 4.48Å; L103-Y193 HydrophobicContact CD2-CD2 4.19Å; L103-Y193 HydrophobicContact CD2-CG 4.49Å; A168-Y193 VanDerWaalsContact CB-OH 3.3Å; A168-Y193 WeakPolarHBondContact CB-OH 3.34Å; L172-Y193 HydrophobicContact CD1-CD2 4.17Å; L172-Y193 HydrophobicContact CD2-CD2 3.63Å; L172-Y193 HydrophobicContact CD2-CE2 3.85Å; L172-Y193 HydrophobicContact CD2-CG 4.37Å; L172-Y193 HydrophobicContact CG-CD2 4.43Å; Y193-F210 WeakPolarHBondContact O-CE2 3.4Å; Y193-F210 WeakPolarHBondContact O-CZ 3.39Å; Y193-M222 HydrophobicContact CD1-CE 4.33Å; Y193-M222 HydrophobicContact CE1-CE 3.61Å; Y193-M222 HydrophobicContact CE2-CE 3.94Å; Y193-M222 WeakPolarHBondContact OH-CE 3.35Å; Y193-I244 WeakPolarHBondContact CB-O 3.45Å; Y193-I244 PolarHBondContact N-O 3.19Å; Y193-L245 HydrophobicContact CD1-CD2 3.51Å; Y193-L245 HydrophobicContact CE1-CD2 4.05Å; Y193-L245 HydrophobicContact CG-CD2 4.07Å; Y193-P246 WeakPolarHBondContact O-CD 3.43Å
194	G	97.6	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	174.5	169.4	0	0	0	0	0	112.3	L101 L102	L101-G194 WeakPolarHBondContact CA-O 3.32Å; L102-G194 VanDerWaalsContact CD2-O 3.31Å; L102-G194 WeakPolarHBondContact CD2-O 3.26Å; L102-G194 PolarHBondContact N-O 2.55Å; L102-G194 VanDerWaalsContact N-O 3.09Å; L102-G194 PolarHBondContact O-N 2.88Å
195	C	97.4	Very high	97.7	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.027	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-176.5	160.9	-66.2	0	0	0	0	109.6	S100 E197 T198 W199	S100-C195 WeakPolarHBondContact O-CA 3.37Å; S100-C195 VanDerWaalsContact O-CB 3.25Å; S100-C195 WeakPolarHBondContact O-CB 3.38Å; S100-C195 PolarHBondContact O-SG 3.27Å; S100-C195 VanDerWaalsContact O-SG 3.42Å; C195-E197 VanDerWaalsContact C-N 3.3Å; C195-E197 WeakPolarHBondContact CB-OE1 3.39Å; C195-E197 WeakPolarHBondContact CB-OE2 3.44Å; C195-E197 PolarHBondContact O-N 3.21Å; C195-T198 PolarHBondContact N-OG1 2.8Å; C195-T198 WeakPolarHBondContact O-CB 3.49Å; C195-T198 PolarHBondContact O-N 2.92Å; C195-T198 VanDerWaalsContact O-N 3.12Å; C195-W199 PolarHBondContact O-N 2.97Å
196	L	97.9	Very high	97.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.7	-41.8	-177.1	-79.4	176.8	0	0	0	112.8	F26 V67 V96 Q97 V115 T198 W199 L200	F26-L196 HydrophobicContact CD1-CD1 4.18Å; V67-L196 HydrophobicContact CG1-CD2 4Å; V96-L196 HydrophobicContact CB-CB 4.07Å; V96-L196 HydrophobicContact CG1-CB 3.96Å; V96-L196 HydrophobicContact CG2-CB 4.42Å; Q97-L196 HydrophobicContact CG-CD1 3.46Å; Q97-L196 VanDerWaalsContact CG-CD1 3.46Å; V115-L196 HydrophobicContact CG1-CD2 3.87Å; V115-L196 HydrophobicContact CG1-CG 4.26Å; V115-L196 HydrophobicContact CG2-CD2 4.13Å; L196-T198 VanDerWaalsContact C-N 3.32Å; L196-T198 PolarHBondContact O-N 3.45Å; L196-W199 PolarHBondContact O-N 3.32Å; L196-L200 WeakPolarHBondContact O-CB 3.46Å; L196-L200 VanDerWaalsContact O-CG 3.27Å; L196-L200 WeakPolarHBondContact O-CG 3.35Å; L196-L200 PolarHBondContact O-N 2.95Å
197	E	98.2	Very high	97.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-66.2	-36.8	178.6	77.1	-55.8	149.6	0	0	111.8	V96 C195 W199 L201 T212 C216 I278	V96-E197 HydrophobicContact CG1-CB 3.85Å; V96-E197 HydrophobicContact CG2-CB 3.79Å; V96-E197 HydrophobicContact CG2-CG 4.31Å; V96-E197 WeakPolarHBondContact CG2-OE2 3.48Å; C195-E197 VanDerWaalsContact C-N 3.3Å; C195-E197 WeakPolarHBondContact CB-OE1 3.39Å; C195-E197 WeakPolarHBondContact CB-OE2 3.44Å; C195-E197 PolarHBondContact O-N 3.21Å; E197-W199 VanDerWaalsContact C-N 3.31Å; E197-W199 PolarHBondContact O-N 3.07Å; E197-L201 WeakPolarHBondContact O-CB 3.42Å; E197-L201 PolarHBondContact O-N 3.43Å; E197-T212 WeakPolarHBondContact OE1-CB 3.35Å; E197-T212 PolarHBondContact OE1-OG1 3.12Å; E197-C216 HydrophobicContact CG-CB 4.31Å; E197-I278 HydrophobicContact CB-CG2 3.74Å; E197-I278 HydrophobicContact CG-CG2 3.42Å; E197-I278 VanDerWaalsContact CG-CG2 3.42Å
198	T	98.4	Very high	97.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-40.6	176.1	-43.3	0	0	0	0	110.3	W104 C195 L196 W202 F210 A211 P246	W104-T198 HydrophobicContact CH2-CG2 3.74Å; W104-T198 HydrophobicContact CZ2-CG2 4.35Å; C195-T198 PolarHBondContact N-OG1 2.8Å; C195-T198 WeakPolarHBondContact O-CB 3.49Å; C195-T198 PolarHBondContact O-N 2.92Å; C195-T198 VanDerWaalsContact O-N 3.12Å; L196-T198 VanDerWaalsContact C-N 3.32Å; L196-T198 PolarHBondContact O-N 3.45Å; T198-W202 VanDerWaalsContact O-CB 3.27Å; T198-W202 WeakPolarHBondContact O-CB 3.3Å; T198-W202 PolarHBondContact O-N 2.91Å; T198-F210 HydrophobicContact CG2-CD2 3.76Å; T198-F210 HydrophobicContact CG2-CE2 3.59Å; T198-A211 WeakPolarHBondContact CG2-O 3.34Å; T198-P246 HydrophobicContact CG2-CB 3.88Å; T198-P246 HydrophobicContact CG2-CG 4.09Å
199	W	98.5	Very high	97.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.5	-47.6	178.3	171.3	-120	0	0	0	113.1	P64 L102 W104 S109 P111 C195 L196 E197 L201 W202 R203	P64-W199 HydrophobicContact CB-CZ2 4.18Å; P64-W199 PolarHBondContact O-NE1 2.85Å; L102-W199 HydrophobicContact CD1-CB 3.83Å; L102-W199 HydrophobicContact CD1-CD2 3.82Å; L102-W199 HydrophobicContact CD1-CE3 4.31Å; L102-W199 HydrophobicContact CD1-CG 3.6Å; L102-W199 HydrophobicContact CD2-CB 3.98Å; L102-W199 HydrophobicContact CG-CB 4.47Å; W104-W199 HydrophobicContact CB-CZ3 3.98Å; W104-W199 AromaticContact CD2-CE3 3.85Å; W104-W199 HydrophobicContact CD2-CE3 3.85Å; W104-W199 HydrophobicContact CD2-CZ3 4.03Å; W104-W199 HydrophobicContact CE3-CE3 4.09Å; W104-W199 HydrophobicContact CG-CE3 4.09Å; W104-W199 AromaticContact CG-CZ3 3.76Å; W104-W199 HydrophobicContact CG-CZ3 3.76Å; S109-W199 VanDerWaalsContact O-CH2 3.28Å; S109-W199 WeakPolarHBondContact O-CH2 3.41Å; P111-W199 HydrophobicContact CG-CH2 3.73Å; P111-W199 HydrophobicContact CG-CZ2 3.8Å; C195-W199 PolarHBondContact O-N 2.97Å; L196-W199 PolarHBondContact O-N 3.32Å; E197-W199 VanDerWaalsContact C-N 3.31Å; E197-W199 PolarHBondContact O-N 3.07Å; W199-L201 VanDerWaalsContact C-N 3.3Å; W199-L201 PolarHBondContact O-N 3.49Å; W199-W202 WeakPolarHBondContact O-CB 3.44Å; W199-W202 PolarHBondContact O-N 3.42Å; W199-R203 HydrophobicContact CD2-CG 3.88Å; W199-R203 HydrophobicContact CE3-CG 4.06Å; W199-R203 HydrophobicContact CH2-CG 3.99Å; W199-R203 HydrophobicContact CZ2-CG 3.83Å; W199-R203 HydrophobicContact CZ3-CG 4.09Å; W199-R203 WeakPolarHBondContact O-CG 3.29Å; W199-R203 PolarHBondContact O-N 3.49Å
200	L	98.5	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-41.3	177.8	-68.4	173.2	0	0	0	110.7	F26 V67 W68 F71 I94 V96 L196 R203 L204	F26-L200 HydrophobicContact CB-CD1 4.42Å; V67-L200 HydrophobicContact CG1-CD2 4.32Å; W68-L200 HydrophobicContact CE3-CD2 4.22Å; F71-L200 HydrophobicContact CB-CD2 3.87Å; F71-L200 HydrophobicContact CD1-CD2 4.13Å; F71-L200 HydrophobicContact CD2-CD1 3.72Å; F71-L200 HydrophobicContact CD2-CD2 3.77Å; F71-L200 HydrophobicContact CD2-CG 4.3Å; F71-L200 HydrophobicContact CE2-CD1 3.83Å; F71-L200 HydrophobicContact CE2-CD2 4.32Å; F71-L200 HydrophobicContact CE2-CG 4.5Å; F71-L200 HydrophobicContact CG-CD1 4.47Å; F71-L200 HydrophobicContact CG-CD2 3.66Å; I94-L200 HydrophobicContact CG2-CD1 4.18Å; V96-L200 HydrophobicContact CG1-CD1 4.26Å; L196-L200 WeakPolarHBondContact O-CB 3.46Å; L196-L200 VanDerWaalsContact O-CG 3.27Å; L196-L200 WeakPolarHBondContact O-CG 3.35Å; L196-L200 PolarHBondContact O-N 2.95Å; L200-R203 PolarHBondContact O-N 3.44Å; L200-L204 VanDerWaalsContact O-CB 3.31Å; L200-L204 WeakPolarHBondContact O-CB 3.36Å; L200-L204 WeakPolarHBondContact O-CG 3.43Å; L200-L204 PolarHBondContact O-N 3.29Å
201	L	98.5	Very high	97.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.2	-47.2	172.8	177.7	64.3	0	0	0	111.9	E197 W199 R203 L204 T205 T209 A211 Y255 I275 I278	E197-L201 WeakPolarHBondContact O-CB 3.42Å; E197-L201 PolarHBondContact O-N 3.43Å; W199-L201 VanDerWaalsContact C-N 3.3Å; W199-L201 PolarHBondContact O-N 3.49Å; L201-R203 VanDerWaalsContact C-N 3.33Å; L201-R203 PolarHBondContact O-N 3.49Å; L201-L204 PolarHBondContact O-N 3.02Å; L201-T205 HydrophobicContact CD1-CG2 3.75Å; L201-T205 HydrophobicContact CG-CG2 4.44Å; L201-T205 WeakPolarHBondContact O-CB 3.24Å; L201-T205 WeakPolarHBondContact O-CG2 3.38Å; L201-T205 PolarHBondContact O-N 3.31Å; L201-T205 PolarHBondContact O-OG1 3.19Å; L201-T209 HydrophobicContact CD1-CG2 4.49Å; L201-T209 HydrophobicContact CD2-CG2 3.61Å; L201-T209 HydrophobicContact CG-CG2 4.15Å; L201-A211 HydrophobicContact CD2-CB 3.86Å; L201-Y255 HydrophobicContact CD2-CD1 3.83Å; L201-Y255 HydrophobicContact CD2-CG 4.35Å; L201-I275 HydrophobicContact CD1-CB 4.41Å; L201-I275 HydrophobicContact CD1-CD1 3.65Å; L201-I275 HydrophobicContact CD1-CG2 4.09Å; L201-I278 HydrophobicContact CB-CD1 4.21Å; L201-I278 HydrophobicContact CD1-CD1 4.35Å; L201-I278 HydrophobicContact CD2-CD1 3.74Å; L201-I278 HydrophobicContact CG-CD1 4.32Å
202	W	98.6	Very high	97.8	Very high	13 Å²	13	16.4 Å²	16.4	5%	0.049	9%	0.09	C	C	.	.	H	α-helix	trans	-57.3	-46.8	177.4	178	-85.4	0	0	0	111.2	W104 K106 S109 T198 W199 T205 G206 G207 F210	W104-W202 AromaticContact CD1-NE1 3.88Å; W104-W202 HydrophobicContact CZ2-CB 4.1Å; W104-W202 HydrophobicContact CZ2-CD2 4.15Å; W104-W202 HydrophobicContact CZ2-CE3 4.32Å; W104-W202 HydrophobicContact CZ2-CG 4.06Å; W104-W202 AromaticContact NE1-CD1 3.65Å; W104-W202 AromaticContact NE1-CD2 3.39Å; W104-W202 AromaticContact NE1-CE2 3.32Å; W104-W202 VanDerWaalsContact NE1-CE2 3.32Å; W104-W202 AromaticContact NE1-CG 3.63Å; W104-W202 AromaticContact NE1-CZ2 3.87Å; W104-W202 AromaticContact NE1-NE1 3.49Å; K106-W202 HydrophobicContact CG-CH2 4.13Å; K106-W202 WeakPolarHBondContact O-CZ2 3.26Å; S109-W202 PolarHBondContact OG-NE1 2.83Å; T198-W202 VanDerWaalsContact O-CB 3.27Å; T198-W202 WeakPolarHBondContact O-CB 3.3Å; T198-W202 PolarHBondContact O-N 2.91Å; W199-W202 WeakPolarHBondContact O-CB 3.44Å; W199-W202 PolarHBondContact O-N 3.42Å; W202-T205 PolarHBondContact O-OG1 3.26Å; W202-G206 PolarHBondContact O-N 3.17Å; W202-G207 VanDerWaalsContact CE2-CA 3.46Å; W202-G207 WeakPolarHBondContact CH2-O 3.38Å; W202-G207 WeakPolarHBondContact CZ3-O 3.28Å; W202-G207 PolarHBondContact O-N 3.47Å; W202-F210 HydrophobicContact CE3-CB 4.03Å; W202-F210 HydrophobicContact CE3-CD2 4.25Å; W202-F210 HydrophobicContact CE3-CG 4.45Å; W202-F210 HydrophobicContact CZ3-CB 3.92Å; W202-F210 HydrophobicContact CZ3-CG 4.39Å
203	R	97.8	Very high	97.8	Very high	39 Å²	39	16.4 Å²	16.4	15%	0.147	9%	0.089	C	C	.	.	H	α-helix	trans	-66.4	-47.4	179.5	-70.6	-67.7	-69.9	-94.7	11.2	112.3	E65 W68 W199 L200 L201 T205 G206 N260	E65-R203 IonicContact OE1-CZ 3.9Å; E65-R203 IonicContact OE1-NH1 3.29Å; E65-R203 PolarHBondContact OE1-NH1 3.45Å; E65-R203 IonicContact OE2-CZ 2.73Å; E65-R203 IonicContact OE2-NH1 3.17Å; E65-R203 PolarHBondContact OE2-NH1 3.22Å; E65-R203 IonicContact OE2-NH2 3.17Å; E65-R203 PolarHBondContact OE2-NH2 3.27Å; W68-R203 VanDerWaalsContact CD1-CZ 3.49Å; W68-R203 HydrophobicContact CD2-CB 3.91Å; W68-R203 HydrophobicContact CD2-CG 4.23Å; W68-R203 HydrophobicContact CE3-CB 3.4Å; W68-R203 VanDerWaalsContact CE3-CB 3.4Å; W68-R203 HydrophobicContact CE3-CG 4Å; W68-R203 VanDerWaalsContact CG-CZ 3.44Å; W68-R203 HydrophobicContact CH2-CB 3.76Å; W68-R203 HydrophobicContact CZ2-CB 4.22Å; W68-R203 HydrophobicContact CZ3-CB 3.33Å; W68-R203 HydrophobicContact CZ3-CG 4.4Å; W199-R203 HydrophobicContact CD2-CG 3.88Å; W199-R203 HydrophobicContact CE3-CG 4.06Å; W199-R203 HydrophobicContact CH2-CG 3.99Å; W199-R203 HydrophobicContact CZ2-CG 3.83Å; W199-R203 HydrophobicContact CZ3-CG 4.09Å; W199-R203 WeakPolarHBondContact O-CG 3.29Å; W199-R203 PolarHBondContact O-N 3.49Å; L200-R203 PolarHBondContact O-N 3.44Å; L201-R203 VanDerWaalsContact C-N 3.33Å; L201-R203 PolarHBondContact O-N 3.49Å; R203-T205 VanDerWaalsContact C-N 3.31Å; R203-T205 PolarHBondContact O-N 3.31Å; R203-G206 PolarHBondContact O-N 2.94Å; R203-N260 WeakPolarHBondContact O-CB 3.19Å; R203-N260 PolarHBondContact O-ND2 3.25Å
204	L	97.2	Very high	97.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.9	-42.4	177.3	-80.6	169.5	0	0	0	111.9	W68 F71 I94 L200 L201 G206 V258 Q259 N260 I275	W68-L204 HydrophobicContact CH2-CD2 4Å; W68-L204 HydrophobicContact CH2-CG 4.11Å; W68-L204 HydrophobicContact CZ3-CD2 4.3Å; W68-L204 HydrophobicContact CZ3-CG 4.03Å; F71-L204 HydrophobicContact CE1-CD1 3.88Å; F71-L204 HydrophobicContact CE1-CD2 4.07Å; F71-L204 HydrophobicContact CE1-CG 4.12Å; F71-L204 HydrophobicContact CZ-CD1 3.95Å; I94-L204 HydrophobicContact CD1-CD1 3.58Å; L200-L204 VanDerWaalsContact O-CB 3.31Å; L200-L204 WeakPolarHBondContact O-CB 3.36Å; L200-L204 WeakPolarHBondContact O-CG 3.43Å; L200-L204 PolarHBondContact O-N 3.29Å; L201-L204 PolarHBondContact O-N 3.02Å; L204-G206 VanDerWaalsContact C-N 3.3Å; L204-G206 PolarHBondContact O-N 2.92Å; L204-V258 HydrophobicContact CD2-CG1 3.76Å; L204-V258 HydrophobicContact CD2-CG2 4.25Å; L204-Q259 WeakPolarHBondContact O-CA 3.3Å; L204-Q259 PolarHBondContact O-N 2.85Å; L204-N260 PolarHBondContact O-N 3Å; L204-I275 HydrophobicContact CB-CD1 3.79Å; L204-I275 HydrophobicContact CD1-CD1 4.05Å
205	T	96.8	Very high	97.7	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	3.7	-177	61	0	0	0	0	114.1	L201 W202 R203 G207 K208 T209 Q259 I275	L201-T205 HydrophobicContact CD1-CG2 3.75Å; L201-T205 HydrophobicContact CG-CG2 4.44Å; L201-T205 WeakPolarHBondContact O-CB 3.24Å; L201-T205 WeakPolarHBondContact O-CG2 3.38Å; L201-T205 PolarHBondContact O-N 3.31Å; L201-T205 PolarHBondContact O-OG1 3.19Å; W202-T205 PolarHBondContact O-OG1 3.26Å; R203-T205 VanDerWaalsContact C-N 3.31Å; R203-T205 PolarHBondContact O-N 3.31Å; T205-G207 VanDerWaalsContact C-N 3.29Å; T205-G207 PolarHBondContact O-N 3.26Å; T205-K208 WeakPolarHBondContact O-CB 2.96Å; T205-K208 WeakPolarHBondContact O-CG 3.45Å; T205-K208 PolarHBondContact O-N 3.42Å; T205-T209 PolarHBondContact OG1-N 3.05Å; T205-T209 VanDerWaalsContact OG1-N 3.15Å; T205-Q259 PolarHBondContact O-OE1 3.09Å; T205-I275 HydrophobicContact CG2-CD1 3.64Å
206	G	95.8	Very high	97.6	Very high	35 Å²	35	16.2 Å²	16.2	36%	0.361	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	34	-177.8	0	0	0	0	0	113.7	W202 R203 L204 K208 N260	W202-G206 PolarHBondContact O-N 3.17Å; R203-G206 PolarHBondContact O-N 2.94Å; L204-G206 VanDerWaalsContact C-N 3.3Å; L204-G206 PolarHBondContact O-N 2.92Å; G206-K208 VanDerWaalsContact C-N 3.33Å; G206-K208 PolarHBondContact O-N 3.18Å; G206-N260 VanDerWaalsContact CA-ND2 3.3Å; G206-N260 WeakPolarHBondContact CA-ND2 3.25Å
207	G	96.8	Very high	97.6	Very high	21 Å²	21	16.2 Å²	16.2	22%	0.216	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	9.4	-179.7	0	0	0	0	0	115.2	W202 T205	W202-G207 VanDerWaalsContact CE2-CA 3.46Å; W202-G207 WeakPolarHBondContact CH2-O 3.38Å; W202-G207 WeakPolarHBondContact CZ3-O 3.28Å; W202-G207 PolarHBondContact O-N 3.47Å; T205-G207 VanDerWaalsContact C-N 3.29Å; T205-G207 PolarHBondContact O-N 3.26Å
208	K	96.2	Very high	97.4	Very high	150 Å²	150	16.1 Å²	16.1	65%	0.652	9%	0.088	S	C	*	.			trans	-80.4	-30.7	-179.9	-67	-177	178	174.8	0	113.6	T205 G206	T205-K208 WeakPolarHBondContact O-CB 2.96Å; T205-K208 WeakPolarHBondContact O-CG 3.45Å; T205-K208 PolarHBondContact O-N 3.42Å; G206-K208 VanDerWaalsContact C-N 3.33Å; G206-K208 PolarHBondContact O-N 3.18Å
209	T	97.9	Very high	97.1	Very high	27 Å²	27	16.7 Å²	16.7	17%	0.166	9%	0.091	C	C	.	.			trans	-113.3	124.3	178	-51.6	0	0	0	0	111.8	L201 T205 A211 Y255	L201-T209 HydrophobicContact CD1-CG2 4.49Å; L201-T209 HydrophobicContact CD2-CG2 3.61Å; L201-T209 HydrophobicContact CG-CG2 4.15Å; T205-T209 PolarHBondContact OG1-N 3.05Å; T205-T209 VanDerWaalsContact OG1-N 3.15Å; T209-A211 HydrophobicContact CG2-CB 3.74Å; T209-Y255 VanDerWaalsContact CB-O 3.24Å; T209-Y255 WeakPolarHBondContact CB-O 3.11Å; T209-Y255 WeakPolarHBondContact CG2-O 3.31Å; T209-Y255 PolarHBondContact OG1-O 3.24Å
210	F	98.3	Very high	96.9	Very high	45 Å²	45	16.8 Å²	16.8	20%	0.197	9%	0.092	C	C	.	.			trans	-117.9	89.3	170.8	-175.4	-135.2	0	0	0	110.9	W104 C192 Y193 T198 W202 I244 L245 P246 G247	W104-F210 HydrophobicContact CH2-CD2 4.43Å; W104-F210 AromaticContact CH2-CE2 3.91Å; W104-F210 HydrophobicContact CH2-CE2 3.91Å; W104-F210 AromaticContact CZ2-CD2 3.99Å; W104-F210 HydrophobicContact CZ2-CD2 3.99Å; W104-F210 AromaticContact CZ2-CE2 3.8Å; W104-F210 HydrophobicContact CZ2-CE2 3.8Å; C192-F210 HydrophobicContact CB-CD2 4.38Å; C192-F210 HydrophobicContact CB-CE1 4.43Å; C192-F210 HydrophobicContact CB-CE2 3.74Å; C192-F210 HydrophobicContact CB-CZ 3.78Å; Y193-F210 WeakPolarHBondContact O-CE2 3.4Å; Y193-F210 WeakPolarHBondContact O-CZ 3.39Å; T198-F210 HydrophobicContact CG2-CD2 3.76Å; T198-F210 HydrophobicContact CG2-CE2 3.59Å; W202-F210 HydrophobicContact CE3-CB 4.03Å; W202-F210 HydrophobicContact CE3-CD2 4.25Å; W202-F210 HydrophobicContact CE3-CG 4.45Å; W202-F210 HydrophobicContact CZ3-CB 3.92Å; W202-F210 HydrophobicContact CZ3-CG 4.39Å; F210-I244 VanDerWaalsContact CZ-O 3.22Å; F210-I244 WeakPolarHBondContact CZ-O 3.32Å; F210-L245 VanDerWaalsContact CE1-C 3.46Å; F210-L245 WeakPolarHBondContact CE1-O 3.12Å; F210-P246 HydrophobicContact CD1-CB 4.41Å; F210-P246 HydrophobicContact CD2-CB 4.02Å; F210-P246 HydrophobicContact CE1-CB 4.17Å; F210-P246 HydrophobicContact CE2-CB 3.72Å; F210-P246 HydrophobicContact CE2-CG 4.4Å; F210-P246 HydrophobicContact CG-CB 4.33Å; F210-P246 HydrophobicContact CZ-CB 3.79Å; F210-P246 HydrophobicContact CZ-CG 4.37Å; F210-G247 PolarHBondContact O-N 3.11Å
211	A	98.3	Very high	96.6	Very high	1 Å²	1	17 Å²	17	1%	0.008	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	157.3	-170.3	0	0	0	0	0	112.3	T198 L201 T209 G247 Y249 Y255	T198-A211 WeakPolarHBondContact CG2-O 3.34Å; L201-A211 HydrophobicContact CD2-CB 3.86Å; T209-A211 HydrophobicContact CG2-CB 3.74Å; A211-G247 CarbonylContact C-O 3.57Å; A211-G247 VanDerWaalsContact CA-O 3.3Å; A211-G247 WeakPolarHBondContact CA-O 3.24Å; A211-Y249 HydrophobicContact CB-CD2 3.65Å; A211-Y249 HydrophobicContact CB-CE2 3.68Å; A211-Y255 HydrophobicContact CB-CD1 3.84Å; A211-Y255 HydrophobicContact CB-CE1 3.98Å
212	T	98.3	Very high	96.3	Very high	4 Å²	4	17 Å²	17	3%	0.025	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	168	167.2	-172.3	0	0	0	0	108.2	E197 C216 A217 W230 P246 G247 V248 Y249	E197-T212 WeakPolarHBondContact OE1-CB 3.35Å; E197-T212 PolarHBondContact OE1-OG1 3.12Å; T212-C216 WeakPolarHBondContact OG1-CB 3.27Å; T212-A217 HydrophobicContact CG2-CB 3.99Å; T212-W230 HydrophobicContact CG2-CZ2 4.2Å; T212-P246 HydrophobicContact CG2-CB 4.34Å; T212-P246 HydrophobicContact CG2-CG 3.73Å; T212-G247 PolarHBondContact N-O 3.32Å; T212-V248 HydrophobicContact CG2-CB 4.46Å; T212-V248 HydrophobicContact CG2-CG1 4.5Å; T212-V248 HydrophobicContact CG2-CG2 3.86Å; T212-V248 WeakPolarHBondContact O-CA 3.45Å; T212-Y249 PolarHBondContact O-N 3.16Å
213	D	98	Very high	96.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	164.3	173.7	95.6	-63.1	0	0	0	112.4	S215 C216 A217 Y249 S251 Y255 I278	D213-S215 PolarHBondContact O-N 3.42Å; D213-S215 PolarHBondContact OD1-OG 3.32Å; D213-S215 WeakPolarHBondContact OD2-CA 3.46Å; D213-S215 WeakPolarHBondContact OD2-CB 3.34Å; D213-S215 PolarHBondContact OD2-N 3.11Å; D213-S215 PolarHBondContact OD2-OG 2.9Å; D213-C216 PolarHBondContact O-N 3.47Å; D213-C216 VanDerWaalsContact OD1-CB 3.27Å; D213-C216 WeakPolarHBondContact OD1-CB 3.46Å; D213-C216 PolarHBondContact OD1-N 3.46Å; D213-C216 PolarHBondContact OD1-SG 3.29Å; D213-A217 VanDerWaalsContact O-CB 3.26Å; D213-A217 WeakPolarHBondContact O-CB 3.37Å; D213-A217 PolarHBondContact O-N 3.25Å; D213-Y249 CarbonylContact C-O 3.58Å; D213-Y249 VanDerWaalsContact CA-O 3.25Å; D213-Y249 WeakPolarHBondContact CA-O 3.09Å; D213-S251 WeakPolarHBondContact OD2-CB 3.27Å; D213-S251 PolarHBondContact OD2-OG 2.79Å; D213-Y255 WeakPolarHBondContact CA-OH 3.45Å; D213-Y255 WeakPolarHBondContact CB-OH 3.49Å; D213-I278 HydrophobicContact CB-CB 4.08Å; D213-I278 HydrophobicContact CB-CG2 3.87Å; D213-I278 WeakPolarHBondContact CB-O 3.47Å
214	V	96.7	Very high	95.8	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-58.5	-33.2	177.7	-72.9	0	0	0	0	113.4	S218 V248 Y249 I326 A329 L365	V214-S218 VanDerWaalsContact O-CB 3.22Å; V214-S218 WeakPolarHBondContact O-CB 3.29Å; V214-S218 PolarHBondContact O-N 2.92Å; V214-S218 PolarHBondContact O-OG 3.44Å; V214-V248 HydrophobicContact CB-CG1 4.41Å; V214-V248 HydrophobicContact CG1-CG1 3.77Å; V214-Y249 PolarHBondContact N-O 2.82Å; V214-I326 HydrophobicContact CB-CB 4.36Å; V214-I326 HydrophobicContact CB-CD1 3.99Å; V214-I326 HydrophobicContact CB-CG2 3.88Å; V214-I326 HydrophobicContact CG1-CD1 4.47Å; V214-I326 HydrophobicContact CG2-CG2 3.63Å; V214-A329 HydrophobicContact CG2-CB 3.94Å; V214-L365 HydrophobicContact CG1-CD1 3.83Å; V214-L365 HydrophobicContact CG1-CD2 4.14Å
215	S	96.7	Very high	95.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-70.7	-45.7	-177.8	82.9	0	0	0	0	111.5	D213 S218 G280 Q283 I326 G327	D213-S215 PolarHBondContact O-N 3.42Å; D213-S215 PolarHBondContact OD1-OG 3.32Å; D213-S215 WeakPolarHBondContact OD2-CA 3.46Å; D213-S215 WeakPolarHBondContact OD2-CB 3.34Å; D213-S215 PolarHBondContact OD2-N 3.11Å; D213-S215 PolarHBondContact OD2-OG 2.9Å; S215-S218 PolarHBondContact O-OG 2.87Å; S215-G280 PolarHBondContact OG-N 3.02Å; S215-Q283 PolarHBondContact O-NE2 2.78Å; S215-I326 WeakPolarHBondContact CA-O 3.17Å; S215-I326 WeakPolarHBondContact CB-O 3.23Å; S215-G327 WeakPolarHBondContact CB-O 3.31Å
216	C	97.1	Very high	95.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	11%	0.106	C	C	.	.	H	α-helix	trans	-68.5	-43.4	173.8	-72.1	0	0	0	0	112	E197 T212 D213 S218 V219	E197-C216 HydrophobicContact CG-CB 4.31Å; T212-C216 WeakPolarHBondContact OG1-CB 3.27Å; D213-C216 PolarHBondContact O-N 3.47Å; D213-C216 VanDerWaalsContact OD1-CB 3.27Å; D213-C216 WeakPolarHBondContact OD1-CB 3.46Å; D213-C216 PolarHBondContact OD1-N 3.46Å; D213-C216 PolarHBondContact OD1-SG 3.29Å; C216-S218 PolarHBondContact O-N 2.87Å; C216-V219 WeakPolarHBondContact O-CG2 3.26Å; C216-V219 PolarHBondContact O-N 3.29Å
217	A	96.5	Very high	94.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-43.8	179.3	0	0	0	0	0	112.3	T212 D213 V219 T220 Y223 W230 V248	T212-A217 HydrophobicContact CG2-CB 3.99Å; D213-A217 VanDerWaalsContact O-CB 3.26Å; D213-A217 WeakPolarHBondContact O-CB 3.37Å; D213-A217 PolarHBondContact O-N 3.25Å; A217-V219 PolarHBondContact O-N 3.47Å; A217-V219 VanDerWaalsContact O-N 3.11Å; A217-T220 WeakPolarHBondContact O-CB 3.37Å; A217-T220 WeakPolarHBondContact O-CG2 3.19Å; A217-T220 PolarHBondContact O-N 2.82Å; A217-T220 PolarHBondContact O-OG1 2.77Å; A217-Y223 HydrophobicContact CB-CD1 4.44Å; A217-Y223 HydrophobicContact CB-CD2 3.93Å; A217-Y223 HydrophobicContact CB-CE2 4.31Å; A217-Y223 HydrophobicContact CB-CG 3.98Å; A217-Y223 WeakPolarHBondContact O-CB 3.44Å; A217-W230 HydrophobicContact CB-CH2 4.06Å; A217-W230 HydrophobicContact CB-CZ2 4.43Å; A217-V248 HydrophobicContact CB-CG1 3.68Å; A217-V248 HydrophobicContact CB-CG2 3.95Å
218	S	94.2	Very high	94.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-23.6	-173.5	70.6	0	0	0	0	114.5	V214 S215 C216 Y323 I326	V214-S218 VanDerWaalsContact O-CB 3.22Å; V214-S218 WeakPolarHBondContact O-CB 3.29Å; V214-S218 PolarHBondContact O-N 2.92Å; V214-S218 PolarHBondContact O-OG 3.44Å; S215-S218 PolarHBondContact O-OG 2.87Å; C216-S218 PolarHBondContact O-N 2.87Å; S218-Y323 VanDerWaalsContact O-CD1 3.31Å; S218-Y323 WeakPolarHBondContact O-CD1 3.26Å; S218-Y323 WeakPolarHBondContact O-CE1 3.44Å; S218-I326 PolarHBondContact OG-N 2.92Å
219	V	92.8	Very high	94.3	Very high	12 Å²	12	24.3 Å²	24.3	7%	0.073	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-5.7	-178.4	-58.8	0	0	0	0	115.1	R98 N99 C216 A217 G221 V325	R98-V219 HydrophobicContact CB-CG2 3.68Å; R98-V219 HydrophobicContact CG-CG2 4.21Å; R98-V219 VanDerWaalsContact NH1-CG1 3.31Å; N99-V219 PolarHBondContact ND2-O 3.45Å; N99-V219 PolarHBondContact OD1-O 2.92Å; C216-V219 WeakPolarHBondContact O-CG2 3.26Å; C216-V219 PolarHBondContact O-N 3.29Å; A217-V219 PolarHBondContact O-N 3.47Å; A217-V219 VanDerWaalsContact O-N 3.11Å; V219-G221 PolarHBondContact O-N 3.5Å; V219-G221 VanDerWaalsContact O-N 3.16Å; V219-V325 HydrophobicContact CG1-CB 4.47Å; V219-V325 HydrophobicContact CG1-CG1 3.77Å; V219-V325 HydrophobicContact CG1-CG2 3.95Å
220	T	94.3	Very high	94.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.012	12%	0.117	C	C	.	.	S	Bend	trans	-62.5	-21.9	-179.2	58.9	0	0	0	0	114	N99 A168 C169 A217 M222 W230	N99-T220 VanDerWaalsContact OD1-CA 3.29Å; N99-T220 WeakPolarHBondContact OD1-CA 3.38Å; A168-T220 PolarHBondContact N-O 3.05Å; C169-T220 PolarHBondContact N-O 3.01Å; A217-T220 WeakPolarHBondContact O-CB 3.37Å; A217-T220 WeakPolarHBondContact O-CG2 3.19Å; A217-T220 PolarHBondContact O-N 2.82Å; A217-T220 PolarHBondContact O-OG1 2.77Å; T220-M222 PolarHBondContact O-N 2.73Å; T220-M222 PolarHBondContact OG1-N 3.34Å; T220-W230 HydrophobicContact CG2-CH2 4.29Å; T220-W230 HydrophobicContact CG2-CZ3 4.32Å
221	G	91.5	Very high	93.9	Very high	5 Å²	5	23.9 Å²	23.9	5%	0.052	11%	0.114	C	C	.	.	S	Bend	trans	78.6	-4.4	-167	0	0	0	0	0	114	Y161 V219	Y161-G221 VanDerWaalsContact OH-CA 3.25Å; Y161-G221 WeakPolarHBondContact OH-CA 3.37Å; Y161-G221 PolarHBondContact OH-O 2.97Å; V219-G221 PolarHBondContact O-N 3.5Å; V219-G221 VanDerWaalsContact O-N 3.16Å
222	M	93.2	Very high	93.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-102.7	-13.5	178	-57.2	-173.8	-77.7	0	0	113.3	C169 L172 Y193 T220 W230 S231 L235 I240 L245	C169-M222 HydrophobicContact CB-CG 3.33Å; C169-M222 HydrophobicContact CB-SD 4.08Å; L172-M222 HydrophobicContact CD2-CE 4.39Å; L172-M222 HydrophobicContact CD2-SD 4.27Å; Y193-M222 HydrophobicContact CD1-CE 4.33Å; Y193-M222 HydrophobicContact CE1-CE 3.61Å; Y193-M222 HydrophobicContact CE2-CE 3.94Å; Y193-M222 WeakPolarHBondContact OH-CE 3.35Å; T220-M222 PolarHBondContact O-N 2.73Å; T220-M222 PolarHBondContact OG1-N 3.34Å; M222-W230 HydrophobicContact CB-CE3 3.79Å; M222-W230 HydrophobicContact CB-CZ3 3.86Å; M222-S231 VanDerWaalsContact O-CB 3.28Å; M222-S231 WeakPolarHBondContact O-CB 3.4Å; M222-S231 PolarHBondContact O-N 3Å; M222-L235 HydrophobicContact CB-CD2 4.05Å; M222-L235 HydrophobicContact CG-CD2 4.11Å; M222-L235 HydrophobicContact SD-CD2 3.73Å; M222-I240 HydrophobicContact SD-CD1 3.83Å; M222-I240 HydrophobicContact SD-CG2 4.29Å; M222-L245 HydrophobicContact CE-CD2 3.97Å; M222-L245 HydrophobicContact SD-CD2 4.31Å
223	Y	93.6	Very high	93.3	Very high	5 Å²	5	37.5 Å²	37.5	2%	0.02	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129	-175.5	-171.5	-102.2	0	0	0	111.2	A217 S225 R228 W230 V248 Y323 I326	A217-Y223 HydrophobicContact CB-CD1 4.44Å; A217-Y223 HydrophobicContact CB-CD2 3.93Å; A217-Y223 HydrophobicContact CB-CE2 4.31Å; A217-Y223 HydrophobicContact CB-CG 3.98Å; A217-Y223 WeakPolarHBondContact O-CB 3.44Å; Y223-S225 PolarHBondContact O-N 3.2Å; Y223-R228 WeakPolarHBondContact OH-CA 3.37Å; Y223-R228 WeakPolarHBondContact OH-CB 3.42Å; Y223-R228 PolarHBondContact OH-O 2.84Å; Y223-W230 HydrophobicContact CD2-CD2 4.18Å; Y223-W230 HydrophobicContact CD2-CE3 4.12Å; Y223-W230 HydrophobicContact CD2-CZ3 4.42Å; Y223-V248 HydrophobicContact CD2-CG2 4.14Å; Y223-V248 HydrophobicContact CE2-CB 3.99Å; Y223-V248 HydrophobicContact CE2-CG1 3.78Å; Y223-V248 HydrophobicContact CE2-CG2 3.8Å; Y223-Y323 WeakPolarHBondContact O-CE1 3.32Å; Y223-Y323 PolarHBondContact O-OH 2.91Å; Y223-I326 HydrophobicContact CE1-CD1 3.85Å
224	D	90.9	Very high	92.9	Very high	40 Å²	40	37.8 Å²	37.8	21%	0.214	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	104.9	167.9	-171.5	-16.6	0	0	0	110.2	F226 S227 R228 K229 Y323	D224-F226 VanDerWaalsContact C-N 3.31Å; D224-F226 WeakPolarHBondContact OD1-CA 3.5Å; D224-F226 WeakPolarHBondContact OD1-CB 3.32Å; D224-F226 PolarHBondContact OD1-N 3.04Å; D224-S227 VanDerWaalsContact CB-OG 3.28Å; D224-S227 WeakPolarHBondContact CB-OG 3.44Å; D224-S227 VanDerWaalsContact CG-OG 3.28Å; D224-S227 PolarHBondContact OD1-N 2.89Å; D224-S227 VanDerWaalsContact OD1-N 3.07Å; D224-S227 PolarHBondContact OD2-OG 3.34Å; D224-R228 CarbonylContact O-C 3.58Å; D224-R228 WeakPolarHBondContact O-CA 3.4Å; D224-R228 PolarHBondContact O-N 3.06Å; D224-K229 WeakPolarHBondContact CA-O 3.2Å; D224-K229 WeakPolarHBondContact CB-O 3.03Å; D224-K229 PolarHBondContact N-O 3.26Å; D224-K229 PolarHBondContact O-N 3.07Å; D224-K229 VanDerWaalsContact O-N 3.13Å; D224-Y323 VanDerWaalsContact C-OH 3.29Å; D224-Y323 WeakPolarHBondContact CA-OH 3.09Å
225	S	90.3	Very high	92.9	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.3	-179.9	-72.6	0	0	0	0	112.3	Y223 Y323 P324 Y370	Y223-S225 PolarHBondContact O-N 3.2Å; S225-Y323 PolarHBondContact N-OH 3.38Å; S225-Y323 WeakPolarHBondContact OG-CE1 3.33Å; S225-P324 VanDerWaalsContact CB-O 3.3Å; S225-P324 WeakPolarHBondContact CB-O 3.34Å; S225-P324 PolarHBondContact OG-O 3.36Å; S225-Y370 PolarHBondContact O-OH 2.48Å
226	F	89.1	Confident	92.7	Very high	52 Å²	52	41.8 Å²	41.8	23%	0.228	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-48.6	173.5	-61.8	-88.3	0	0	0	110.3	R154 A157 D224 R228 A315 A317 P324	R154-F226 HydrophobicContact CB-CB 4.2Å; R154-F226 HydrophobicContact CB-CD1 3.94Å; R154-F226 HydrophobicContact CB-CD2 3.85Å; R154-F226 HydrophobicContact CB-CE1 4.27Å; R154-F226 HydrophobicContact CB-CE2 4.18Å; R154-F226 HydrophobicContact CB-CG 3.72Å; R154-F226 HydrophobicContact CB-CZ 4.38Å; A157-F226 HydrophobicContact CB-CE2 3.54Å; A157-F226 HydrophobicContact CB-CZ 3.97Å; D224-F226 VanDerWaalsContact C-N 3.31Å; D224-F226 WeakPolarHBondContact OD1-CA 3.5Å; D224-F226 WeakPolarHBondContact OD1-CB 3.32Å; D224-F226 PolarHBondContact OD1-N 3.04Å; F226-R228 VanDerWaalsContact C-N 3.33Å; F226-A315 HydrophobicContact CD1-CB 3.68Å; F226-A315 HydrophobicContact CE1-CB 3.51Å; F226-A315 HydrophobicContact CG-CB 4.41Å; F226-A315 HydrophobicContact CZ-CB 4.12Å; F226-A317 HydrophobicContact CZ-CB 4.35Å; F226-P324 HydrophobicContact CD2-CG 4.45Å; F226-P324 HydrophobicContact CE1-CG 4.39Å; F226-P324 HydrophobicContact CE2-CG 3.52Å; F226-P324 HydrophobicContact CZ-CG 3.48Å; F226-P324 VanDerWaalsContact CZ-CG 3.48Å
227	S	89.1	Confident	92.4	Very high	57 Å²	57	43.6 Å²	43.6	40%	0.399	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.3	178.6	81.8	0	0	0	0	113.7	D224 K229	D224-S227 VanDerWaalsContact CB-OG 3.28Å; D224-S227 WeakPolarHBondContact CB-OG 3.44Å; D224-S227 VanDerWaalsContact CG-OG 3.28Å; D224-S227 PolarHBondContact OD1-N 2.89Å; D224-S227 VanDerWaalsContact OD1-N 3.07Å; D224-S227 PolarHBondContact OD2-OG 3.34Å; S227-K229 VanDerWaalsContact C-N 3.34Å; S227-K229 PolarHBondContact O-N 2.89Å
228	R	91.1	Very high	92.3	Very high	117 Å²	117	43.7 Å²	43.7	44%	0.442	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	41.7	-176.5	-58.9	171.9	-73.3	175.9	1.6	113.4	Y223 D224 F226 L365	Y223-R228 WeakPolarHBondContact OH-CA 3.37Å; Y223-R228 WeakPolarHBondContact OH-CB 3.42Å; Y223-R228 PolarHBondContact OH-O 2.84Å; D224-R228 CarbonylContact O-C 3.58Å; D224-R228 WeakPolarHBondContact O-CA 3.4Å; D224-R228 PolarHBondContact O-N 3.06Å; F226-R228 VanDerWaalsContact C-N 3.33Å; R228-L365 HydrophobicContact CG-CD1 4.38Å
229	K	93.1	Very high	92.3	Very high	142 Å²	142	45.4 Å²	45.4	62%	0.617	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.7	158.3	-177.7	-66.6	-180	-176.3	-178.3	0	110.2	D224 S227 S231	D224-K229 WeakPolarHBondContact CA-O 3.2Å; D224-K229 WeakPolarHBondContact CB-O 3.03Å; D224-K229 PolarHBondContact N-O 3.26Å; D224-K229 PolarHBondContact O-N 3.07Å; D224-K229 VanDerWaalsContact O-N 3.13Å; S227-K229 VanDerWaalsContact C-N 3.34Å; S227-K229 PolarHBondContact O-N 2.89Å; K229-S231 PolarHBondContact O-N 3.43Å
230	W	95.3	Very high	92.5	Very high	44 Å²	44	45.1 Å²	45.1	17%	0.167	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	128.6	166.1	-62.7	116.2	0	0	0	111	T212 A217 T220 M222 Y223 R232 L235 L245 P246 V248	T212-W230 HydrophobicContact CG2-CZ2 4.2Å; A217-W230 HydrophobicContact CB-CH2 4.06Å; A217-W230 HydrophobicContact CB-CZ2 4.43Å; T220-W230 HydrophobicContact CG2-CH2 4.29Å; T220-W230 HydrophobicContact CG2-CZ3 4.32Å; M222-W230 HydrophobicContact CB-CE3 3.79Å; M222-W230 HydrophobicContact CB-CZ3 3.86Å; Y223-W230 HydrophobicContact CD2-CD2 4.18Å; Y223-W230 HydrophobicContact CD2-CE3 4.12Å; Y223-W230 HydrophobicContact CD2-CZ3 4.42Å; W230-R232 PolarHBondContact O-N 2.88Å; W230-R232 VanDerWaalsContact O-N 3.1Å; W230-L235 HydrophobicContact CB-CD1 4.04Å; W230-L245 HydrophobicContact CB-CD1 4.03Å; W230-L245 HydrophobicContact CD2-CB 4.3Å; W230-L245 HydrophobicContact CD2-CD1 3.77Å; W230-L245 HydrophobicContact CE3-CD1 4.12Å; W230-L245 HydrophobicContact CG-CB 4.42Å; W230-L245 HydrophobicContact CG-CD1 3.72Å; W230-L245 HydrophobicContact CZ2-CB 4.37Å; W230-P246 HydrophobicContact CZ2-CG 4.09Å; W230-P246 PolarHBondContact NE1-O 2.92Å; W230-V248 HydrophobicContact CH2-CG2 4.49Å; W230-V248 HydrophobicContact CZ2-CG2 3.58Å
231	S	92.7	Very high	92.5	Very high	18 Å²	18	46.1 Å²	46.1	13%	0.126	24%	0.244	C	C	.	.			trans	-75	98.6	-174.1	-178.3	0	0	0	0	110.6	M222 K229 P233 I234 L235	M222-S231 VanDerWaalsContact O-CB 3.28Å; M222-S231 WeakPolarHBondContact O-CB 3.4Å; M222-S231 PolarHBondContact O-N 3Å; K229-S231 PolarHBondContact O-N 3.43Å; S231-P233 VanDerWaalsContact C-CD 3.48Å; S231-P233 VanDerWaalsContact C-N 3.33Å; S231-I234 PolarHBondContact O-N 2.93Å; S231-I234 VanDerWaalsContact O-N 3.17Å; S231-I234 WeakPolarHBondContact OG-CG1 3.43Å; S231-L235 WeakPolarHBondContact O-CG 2.94Å; S231-L235 PolarHBondContact O-N 3.26Å
232	R	93.3	Very high	92.8	Very high	211 Å²	211	48.9 Å²	48.9	80%	0.796	27%	0.267	S	S	*	.	H	α-helix	trans	-52.4	-43.9	176.7	-63.5	-178.5	176.6	-172.6	-2.3	113.1	W230 I234 L235 A236	W230-R232 PolarHBondContact O-N 2.88Å; W230-R232 VanDerWaalsContact O-N 3.1Å; R232-I234 PolarHBondContact O-N 2.88Å; R232-L235 PolarHBondContact O-N 2.93Å; R232-A236 VanDerWaalsContact O-CB 3.26Å; R232-A236 WeakPolarHBondContact O-CB 3.33Å; R232-A236 PolarHBondContact O-N 3.45Å
233	P	89.8	Confident	92.9	Very high	81 Å²	81	53 Å²	53	53%	0.526	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-42.7	177.8	-24.4	35.4	0	0	0	113.3	M139 S231 S237	M139-P233 HydrophobicContact CE-CB 4.3Å; S231-P233 VanDerWaalsContact C-CD 3.48Å; S231-P233 VanDerWaalsContact C-N 3.33Å; P233-S237 WeakPolarHBondContact O-CB 3.46Å; P233-S237 PolarHBondContact O-N 2.87Å; P233-S237 PolarHBondContact O-OG 3.29Å
234	I	90.3	Very high	93.1	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-47.6	179.2	-63.7	-64.8	0	0	0	110.4	M139 Y161 S231 R232 A236 S237 L238	M139-I234 HydrophobicContact CE-CD1 4.17Å; Y161-I234 HydrophobicContact CE2-CD1 4.44Å; S231-I234 PolarHBondContact O-N 2.93Å; S231-I234 VanDerWaalsContact O-N 3.17Å; S231-I234 WeakPolarHBondContact OG-CG1 3.43Å; R232-I234 PolarHBondContact O-N 2.88Å; I234-A236 VanDerWaalsContact C-N 3.34Å; I234-A236 PolarHBondContact O-N 2.95Å; I234-S237 PolarHBondContact O-N 3.46Å; I234-S237 PolarHBondContact O-OG 3.02Å; I234-L238 HydrophobicContact CG2-CD1 3.89Å; I234-L238 WeakPolarHBondContact O-CG 3.44Å; I234-L238 PolarHBondContact O-N 3.32Å
235	L	95.1	Very high	93.5	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-57.5	-46.3	177.4	-68.2	176	0	0	0	112	M222 W230 S231 R232 L238 G239 I240 A242 L245	M222-L235 HydrophobicContact CB-CD2 4.05Å; M222-L235 HydrophobicContact CG-CD2 4.11Å; M222-L235 HydrophobicContact SD-CD2 3.73Å; W230-L235 HydrophobicContact CB-CD1 4.04Å; S231-L235 WeakPolarHBondContact O-CG 2.94Å; S231-L235 PolarHBondContact O-N 3.26Å; R232-L235 PolarHBondContact O-N 2.93Å; L235-L238 CarbonylContact O-C 3.57Å; L235-L238 PolarHBondContact O-N 2.94Å; L235-G239 PolarHBondContact O-N 3.25Å; L235-I240 HydrophobicContact CD2-CB 3.88Å; L235-I240 HydrophobicContact CD2-CG2 3.77Å; L235-I240 PolarHBondContact O-N 3.2Å; L235-A242 HydrophobicContact CD1-CB 4.06Å; L235-L245 HydrophobicContact CD1-CD1 3.57Å; L235-L245 HydrophobicContact CD2-CD1 3.8Å; L235-L245 HydrophobicContact CG-CD1 4.33Å
236	A	94	Very high	93.8	Very high	78 Å²	78	51.6 Å²	51.6	65%	0.645	28%	0.282	S	S	*	.	H	α-helix	trans	-62.4	-44.7	176.5	0	0	0	0	0	111.8	R232 I234 L238 G239	R232-A236 VanDerWaalsContact O-CB 3.26Å; R232-A236 WeakPolarHBondContact O-CB 3.33Å; R232-A236 PolarHBondContact O-N 3.45Å; I234-A236 VanDerWaalsContact C-N 3.34Å; I234-A236 PolarHBondContact O-N 2.95Å; A236-L238 PolarHBondContact O-N 3.48Å; A236-G239 PolarHBondContact O-N 2.99Å
237	S	90.9	Very high	94.2	Very high	40 Å²	40	50.5 Å²	50.5	28%	0.28	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-29.8	178.8	76.6	0	0	0	0	113.3	P233 I234	P233-S237 WeakPolarHBondContact O-CB 3.46Å; P233-S237 PolarHBondContact O-N 2.87Å; P233-S237 PolarHBondContact O-OG 3.29Å; I234-S237 PolarHBondContact O-N 3.46Å; I234-S237 PolarHBondContact O-OG 3.02Å
238	L	93.6	Very high	94.6	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-94.4	-10.2	177.8	-61.4	176.6	0	0	0	112.1	L130 F163 C169 I170 K173 I234 L235 A236 I240	L130-L238 HydrophobicContact CD1-CD2 3.71Å; L130-L238 HydrophobicContact CD2-CD2 4.49Å; F163-L238 HydrophobicContact CE1-CD1 4.28Å; F163-L238 HydrophobicContact CE1-CD2 4.35Å; F163-L238 HydrophobicContact CZ-CD2 4.1Å; C169-L238 HydrophobicContact CB-CD1 3.71Å; I170-L238 HydrophobicContact CD1-CD2 4.18Å; K173-L238 WeakPolarHBondContact CD-O 3.24Å; K173-L238 WeakPolarHBondContact CE-O 3.47Å; K173-L238 HydrophobicContact CG-CD2 4.46Å; K173-L238 PolarHBondContact NZ-O 3.1Å; I234-L238 HydrophobicContact CG2-CD1 3.89Å; I234-L238 WeakPolarHBondContact O-CG 3.44Å; I234-L238 PolarHBondContact O-N 3.32Å; L235-L238 CarbonylContact O-C 3.57Å; L235-L238 PolarHBondContact O-N 2.94Å; A236-L238 PolarHBondContact O-N 3.48Å; L238-I240 VanDerWaalsContact C-N 3.31Å; L238-I240 HydrophobicContact CB-CD1 3.65Å; L238-I240 HydrophobicContact CB-CG1 3.89Å; L238-I240 HydrophobicContact CD1-CD1 3.79Å; L238-I240 HydrophobicContact CG-CD1 4.39Å
239	G	94.3	Very high	94.9	Very high	35 Å²	35	45.9 Å²	45.9	36%	0.361	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	34.2	-173.9	0	0	0	0	0	113.2	L235 A236	L235-G239 PolarHBondContact O-N 3.25Å; A236-G239 PolarHBondContact O-N 2.99Å
240	I	96.2	Very high	95.1	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.036	23%	0.233	C	C	.	.			trans	-92.7	118.9	176.9	-63.7	164.8	0	0	0	108.3	L172 M222 L235 L238 I244	L172-I240 HydrophobicContact CD2-CD1 4.02Å; L172-I240 HydrophobicContact CD2-CG1 4.23Å; L172-I240 HydrophobicContact CD2-CG2 3.78Å; L172-I240 HydrophobicContact CG-CD1 4.38Å; M222-I240 HydrophobicContact SD-CD1 3.83Å; M222-I240 HydrophobicContact SD-CG2 4.29Å; L235-I240 HydrophobicContact CD2-CB 3.88Å; L235-I240 HydrophobicContact CD2-CG2 3.77Å; L235-I240 PolarHBondContact O-N 3.2Å; L238-I240 VanDerWaalsContact C-N 3.31Å; L238-I240 HydrophobicContact CB-CD1 3.65Å; L238-I240 HydrophobicContact CB-CG1 3.89Å; L238-I240 HydrophobicContact CD1-CD1 3.79Å; L238-I240 HydrophobicContact CG-CD1 4.39Å; I240-I244 HydrophobicContact CG2-CD1 4.32Å
241	P	96	Very high	95.2	Very high	22 Å²	22	37 Å²	37	14%	0.143	23%	0.225	C	C	.	.			trans	-62.8	135.1	176.5	-23.3	35.5	0	0	0	111.6	C186 R187 N243 I244	C186-P241 HydrophobicContact CB-CG 4.09Å; R187-P241 HydrophobicContact CG-CG 3.88Å; P241-N243 VanDerWaalsContact C-N 3.32Å; P241-N243 WeakPolarHBondContact CB-OD1 3.48Å; P241-N243 PolarHBondContact O-N 3.08Å; P241-I244 WeakPolarHBondContact O-CG1 3.33Å
242	A	96.4	Very high	95.5	Very high	64 Å²	64	36.2 Å²	36.2	53%	0.529	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-75.2	-20.8	-179.1	0	0	0	0	0	113.5	L235 I244 L245	L235-A242 HydrophobicContact CD1-CB 4.06Å; A242-I244 PolarHBondContact O-N 2.75Å; A242-L245 PolarHBondContact O-N 2.88Å
243	N	96.1	Very high	95.6	Very high	85 Å²	85	28.3 Å²	28.3	46%	0.455	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-71	-14.3	-176.6	62.8	-16.2	0	0	0	114.3	C186 R187 G189 P241	C186-N243 PolarHBondContact O-ND2 2.95Å; C186-N243 PolarHBondContact O-OD1 3.14Å; R187-N243 PolarHBondContact O-ND2 3.46Å; G189-N243 WeakPolarHBondContact CA-ND2 3.5Å; P241-N243 VanDerWaalsContact C-N 3.32Å; P241-N243 WeakPolarHBondContact CB-OD1 3.48Å; P241-N243 PolarHBondContact O-N 3.08Å
244	I	97.8	Very high	95.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-87.3	-7.7	174.6	72.7	179.6	0	0	0	112.4	L172 C186 L191 Y193 F210 I240 P241 A242	L172-I244 HydrophobicContact CD2-CD1 4.5Å; C186-I244 HydrophobicContact CB-CD1 4.29Å; C186-I244 HydrophobicContact CB-CG2 3.73Å; C186-I244 WeakPolarHBondContact O-CG2 3.46Å; L191-I244 WeakPolarHBondContact O-CB 3.42Å; L191-I244 VanDerWaalsContact O-CG2 3.32Å; L191-I244 WeakPolarHBondContact O-CG2 3.42Å; Y193-I244 WeakPolarHBondContact CB-O 3.45Å; Y193-I244 PolarHBondContact N-O 3.19Å; F210-I244 VanDerWaalsContact CZ-O 3.22Å; F210-I244 WeakPolarHBondContact CZ-O 3.32Å; I240-I244 HydrophobicContact CG2-CD1 4.32Å; P241-I244 WeakPolarHBondContact O-CG1 3.33Å; A242-I244 PolarHBondContact O-N 2.75Å
245	L	98.4	Very high	96.2	Very high	14 Å²	14	28.1 Å²	28.1	7%	0.073	18%	0.179	C	C	.	.	S	Bend	trans	-88.3	144.8	-172.2	-60.1	172.6	0	0	0	111.8	Y193 F210 M222 W230 L235 A242	Y193-L245 HydrophobicContact CD1-CD2 3.51Å; Y193-L245 HydrophobicContact CE1-CD2 4.05Å; Y193-L245 HydrophobicContact CG-CD2 4.07Å; F210-L245 VanDerWaalsContact CE1-C 3.46Å; F210-L245 WeakPolarHBondContact CE1-O 3.12Å; M222-L245 HydrophobicContact CE-CD2 3.97Å; M222-L245 HydrophobicContact SD-CD2 4.31Å; W230-L245 HydrophobicContact CB-CD1 4.03Å; W230-L245 HydrophobicContact CD2-CB 4.3Å; W230-L245 HydrophobicContact CD2-CD1 3.77Å; W230-L245 HydrophobicContact CE3-CD1 4.12Å; W230-L245 HydrophobicContact CG-CB 4.42Å; W230-L245 HydrophobicContact CG-CD1 3.72Å; W230-L245 HydrophobicContact CZ2-CB 4.37Å; L235-L245 HydrophobicContact CD1-CD1 3.57Å; L235-L245 HydrophobicContact CD2-CD1 3.8Å; L235-L245 HydrophobicContact CG-CD1 4.33Å; A242-L245 PolarHBondContact O-N 2.88Å
246	P	98	Very high	96.2	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.019	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-72.3	159.9	-180	28.5	-32.7	0	0	0	112.3	Y193 T198 F210 T212 W230	Y193-P246 WeakPolarHBondContact O-CD 3.43Å; T198-P246 HydrophobicContact CG2-CB 3.88Å; T198-P246 HydrophobicContact CG2-CG 4.09Å; F210-P246 HydrophobicContact CD1-CB 4.41Å; F210-P246 HydrophobicContact CD2-CB 4.02Å; F210-P246 HydrophobicContact CE1-CB 4.17Å; F210-P246 HydrophobicContact CE2-CB 3.72Å; F210-P246 HydrophobicContact CE2-CG 4.4Å; F210-P246 HydrophobicContact CG-CB 4.33Å; F210-P246 HydrophobicContact CZ-CB 3.79Å; F210-P246 HydrophobicContact CZ-CG 4.37Å; T212-P246 HydrophobicContact CG2-CB 4.34Å; T212-P246 HydrophobicContact CG2-CG 3.73Å; W230-P246 HydrophobicContact CZ2-CG 4.09Å; W230-P246 PolarHBondContact NE1-O 2.92Å
247	G	97.3	Very high	96.3	Very high	28 Å²	28	25.6 Å²	25.6	29%	0.289	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	146.5	164.5	0	0	0	0	0	110.6	F210 A211 T212	F210-G247 PolarHBondContact O-N 3.11Å; A211-G247 CarbonylContact C-O 3.57Å; A211-G247 VanDerWaalsContact CA-O 3.3Å; A211-G247 WeakPolarHBondContact CA-O 3.24Å; T212-G247 PolarHBondContact N-O 3.32Å
248	V	97.3	Very high	96.5	Very high	34 Å²	34	24.2 Å²	24.2	21%	0.206	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.9	-178.2	-174.1	0	0	0	0	109.7	T212 V214 A217 Y223 W230	T212-V248 HydrophobicContact CG2-CB 4.46Å; T212-V248 HydrophobicContact CG2-CG1 4.5Å; T212-V248 HydrophobicContact CG2-CG2 3.86Å; T212-V248 WeakPolarHBondContact O-CA 3.45Å; V214-V248 HydrophobicContact CB-CG1 4.41Å; V214-V248 HydrophobicContact CG1-CG1 3.77Å; A217-V248 HydrophobicContact CB-CG1 3.68Å; A217-V248 HydrophobicContact CB-CG2 3.95Å; Y223-V248 HydrophobicContact CD2-CG2 4.14Å; Y223-V248 HydrophobicContact CE2-CB 3.99Å; Y223-V248 HydrophobicContact CE2-CG1 3.78Å; Y223-V248 HydrophobicContact CE2-CG2 3.8Å; W230-V248 HydrophobicContact CH2-CG2 4.49Å; W230-V248 HydrophobicContact CZ2-CG2 3.58Å
249	Y	97.3	Very high	96.5	Very high	43 Å²	43	28.1 Å²	28.1	17%	0.169	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	167.3	-172.1	-64	-86.9	0	0	0	112	A211 T212 D213 V214 Y253 Y255 V363	A211-Y249 HydrophobicContact CB-CD2 3.65Å; A211-Y249 HydrophobicContact CB-CE2 3.68Å; T212-Y249 PolarHBondContact O-N 3.16Å; D213-Y249 CarbonylContact C-O 3.58Å; D213-Y249 VanDerWaalsContact CA-O 3.25Å; D213-Y249 WeakPolarHBondContact CA-O 3.09Å; V214-Y249 PolarHBondContact N-O 2.82Å; Y249-Y253 HydrophobicContact CD1-CD1 4Å; Y249-Y253 AromaticContact CD1-CE1 3.48Å; Y249-Y253 HydrophobicContact CD1-CE1 3.48Å; Y249-Y253 VanDerWaalsContact CD1-CE1 3.48Å; Y249-Y253 HydrophobicContact CD1-CE2 4.45Å; Y249-Y253 AromaticContact CD1-CZ 3.76Å; Y249-Y253 HydrophobicContact CE1-CE1 4.01Å; Y249-Y253 AromaticContact CG-CD1 3.99Å; Y249-Y253 HydrophobicContact CG-CD1 3.99Å; Y249-Y253 AromaticContact CG-CE1 3.86Å; Y249-Y253 HydrophobicContact CG-CE1 3.86Å; Y249-Y255 HydrophobicContact CD2-CE1 4.27Å; Y249-Y255 HydrophobicContact CG-CE1 4.42Å; Y249-Y255 PolarHBondContact O-OH 2.94Å; Y249-V363 HydrophobicContact CD1-CB 4.43Å; Y249-V363 HydrophobicContact CD1-CG2 3.84Å; Y249-V363 HydrophobicContact CE1-CG2 3.77Å
250	P	97.4	Very high	96.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.			trans	-58.4	151.6	173.1	-16.3	24.7	0	0	0	112.7	S252 Y253 Y255 A329 V363 L365	P250-S252 VanDerWaalsContact C-N 3.33Å; P250-S252 PolarHBondContact O-N 3.17Å; P250-Y253 HydrophobicContact CG-CD2 4.43Å; P250-Y253 WeakPolarHBondContact O-CB 3.06Å; P250-Y255 PolarHBondContact O-OH 3.22Å; P250-A329 HydrophobicContact CB-CB 4.1Å; P250-A329 WeakPolarHBondContact CB-O 3.35Å; P250-V363 HydrophobicContact CG-CG1 4.12Å; P250-L365 HydrophobicContact CB-CD2 4.19Å; P250-L365 HydrophobicContact CG-CD2 3.6Å
251	S	98.2	Very high	96.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-60.1	-43.3	179.7	-50.6	0	0	0	0	112	D213 G277 I278 W328 A329 V537	D213-S251 WeakPolarHBondContact OD2-CB 3.27Å; D213-S251 PolarHBondContact OD2-OG 2.79Å; S251-G277 WeakPolarHBondContact O-CA 3.42Å; S251-I278 VanDerWaalsContact CA-O 3.22Å; S251-I278 WeakPolarHBondContact CA-O 3.23Å; S251-I278 WeakPolarHBondContact CB-O 3.49Å; S251-I278 PolarHBondContact O-N 3.08Å; S251-W328 WeakPolarHBondContact OG-CA 3.48Å; S251-A329 PolarHBondContact N-O 3.48Å; S251-V537 WeakPolarHBondContact O-CG1 3.04Å
252	S	97.8	Very high	96.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-98.4	102	170.9	65.8	0	0	0	0	110.1	P250 A329 S330 G331 V537 F548	P250-S252 VanDerWaalsContact C-N 3.33Å; P250-S252 PolarHBondContact O-N 3.17Å; S252-A329 PolarHBondContact N-O 3.2Å; S252-S330 VanDerWaalsContact OG-CA 3.25Å; S252-S330 WeakPolarHBondContact OG-CA 3.36Å; S252-S330 WeakPolarHBondContact OG-CB 3.37Å; S252-S330 PolarHBondContact OG-OG 2.93Å; S252-G331 PolarHBondContact O-N 2.92Å; S252-V537 VanDerWaalsContact CB-O 3.22Å; S252-V537 WeakPolarHBondContact CB-O 3.18Å; S252-F548 WeakPolarHBondContact OG-CZ 3.05Å
253	Y	96.1	Very high	95.9	Very high	46 Å²	46	27.4 Å²	27.4	18%	0.18	15%	0.147	C	C	.	.	S	Bend	trans	-161.8	152.7	-172.1	178.4	-105.5	0	0	0	110	Y249 P250 Y255 T276 V363	Y249-Y253 HydrophobicContact CD1-CD1 4Å; Y249-Y253 AromaticContact CD1-CE1 3.48Å; Y249-Y253 HydrophobicContact CD1-CE1 3.48Å; Y249-Y253 VanDerWaalsContact CD1-CE1 3.48Å; Y249-Y253 HydrophobicContact CD1-CE2 4.45Å; Y249-Y253 AromaticContact CD1-CZ 3.76Å; Y249-Y253 HydrophobicContact CE1-CE1 4.01Å; Y249-Y253 AromaticContact CG-CD1 3.99Å; Y249-Y253 HydrophobicContact CG-CD1 3.99Å; Y249-Y253 AromaticContact CG-CE1 3.86Å; Y249-Y253 HydrophobicContact CG-CE1 3.86Å; P250-Y253 HydrophobicContact CG-CD2 4.43Å; P250-Y253 WeakPolarHBondContact O-CB 3.06Å; Y253-Y255 HydrophobicContact CD1-CD1 4.39Å; Y253-Y255 HydrophobicContact CD1-CD2 4.34Å; Y253-Y255 HydrophobicContact CD1-CE1 4.37Å; Y253-Y255 HydrophobicContact CD1-CE2 4.27Å; Y253-Y255 HydrophobicContact CD1-CG 4.39Å; Y253-Y255 WeakPolarHBondContact O-CD2 3.44Å; Y253-Y255 PolarHBondContact O-N 3.38Å; Y253-Y255 VanDerWaalsContact O-N 3.15Å; Y253-T276 PolarHBondContact N-O 3.42Å; Y253-T276 CarbonylContact O-C 3.53Å; Y253-T276 WeakPolarHBondContact O-CA 3.25Å; Y253-T276 VanDerWaalsContact O-O 3.04Å; Y253-V363 HydrophobicContact CE2-CG1 4.3Å
254	Y	96.1	Very high	95.4	Very high	78 Å²	78	24.8 Å²	24.8	31%	0.306	14%	0.14	S	C	.	.			trans	-73.1	103.6	173	175.2	-112.4	0	0	0	111.6	G256 T257 P274 Y334	Y254-G256 VanDerWaalsContact C-N 3.31Å; Y254-G256 WeakPolarHBondContact CE2-O 3.32Å; Y254-G256 WeakPolarHBondContact OH-CA 3.49Å; Y254-T257 PolarHBondContact OH-OG1 2.91Å; Y254-P274 HydrophobicContact CD2-CB 4.12Å; Y254-P274 HydrophobicContact CE2-CB 3.97Å; Y254-Y334 HydrophobicContact CD1-CD2 4.1Å; Y254-Y334 HydrophobicContact CD1-CE2 4.18Å; Y254-Y334 AromaticContact CD2-CD2 3.28Å; Y254-Y334 HydrophobicContact CD2-CD2 3.28Å; Y254-Y334 AromaticContact CD2-CE2 3.44Å; Y254-Y334 HydrophobicContact CD2-CE2 3.44Å; Y254-Y334 VanDerWaalsContact CD2-CE2 3.44Å; Y254-Y334 AromaticContact CD2-CG 3.92Å; Y254-Y334 HydrophobicContact CD2-CG 3.92Å; Y254-Y334 HydrophobicContact CE1-CE2 4.17Å; Y254-Y334 AromaticContact CE2-CD2 3.83Å; Y254-Y334 HydrophobicContact CE2-CD2 3.83Å; Y254-Y334 AromaticContact CE2-CE2 3.43Å; Y254-Y334 HydrophobicContact CE2-CE2 3.43Å; Y254-Y334 VanDerWaalsContact CE2-CE2 3.43Å; Y254-Y334 AromaticContact CE2-CZ 3.92Å; Y254-Y334 AromaticContact CG-CD2 3.43Å; Y254-Y334 HydrophobicContact CG-CD2 3.43Å; Y254-Y334 VanDerWaalsContact CG-CD2 3.43Å; Y254-Y334 AromaticContact CG-CE2 3.82Å; Y254-Y334 HydrophobicContact CG-CE2 3.82Å; Y254-Y334 HydrophobicContact CG-CG 4.29Å; Y254-Y334 AromaticContact CZ-CE2 3.81Å
255	Y	97	Very high	94.1	Very high	4 Å²	4	34 Å²	34	2%	0.016	18%	0.176	C	C	.	.			trans	-88.7	6.5	178.6	-74.6	-83.8	0	0	0	113.5	L201 T209 A211 D213 Y249 P250 Y253 I275 I278	L201-Y255 HydrophobicContact CD2-CD1 3.83Å; L201-Y255 HydrophobicContact CD2-CG 4.35Å; T209-Y255 VanDerWaalsContact CB-O 3.24Å; T209-Y255 WeakPolarHBondContact CB-O 3.11Å; T209-Y255 WeakPolarHBondContact CG2-O 3.31Å; T209-Y255 PolarHBondContact OG1-O 3.24Å; A211-Y255 HydrophobicContact CB-CD1 3.84Å; A211-Y255 HydrophobicContact CB-CE1 3.98Å; D213-Y255 WeakPolarHBondContact CA-OH 3.45Å; D213-Y255 WeakPolarHBondContact CB-OH 3.49Å; Y249-Y255 HydrophobicContact CD2-CE1 4.27Å; Y249-Y255 HydrophobicContact CG-CE1 4.42Å; Y249-Y255 PolarHBondContact O-OH 2.94Å; P250-Y255 PolarHBondContact O-OH 3.22Å; Y253-Y255 HydrophobicContact CD1-CD1 4.39Å; Y253-Y255 HydrophobicContact CD1-CD2 4.34Å; Y253-Y255 HydrophobicContact CD1-CE1 4.37Å; Y253-Y255 HydrophobicContact CD1-CE2 4.27Å; Y253-Y255 HydrophobicContact CD1-CG 4.39Å; Y253-Y255 WeakPolarHBondContact O-CD2 3.44Å; Y253-Y255 PolarHBondContact O-N 3.38Å; Y253-Y255 VanDerWaalsContact O-N 3.15Å; Y255-I275 WeakPolarHBondContact CB-O 3.5Å; Y255-I275 PolarHBondContact N-O 2.81Å; Y255-I278 HydrophobicContact CD1-CD1 3.72Å; Y255-I278 HydrophobicContact CD1-CG1 4.49Å; Y255-I278 HydrophobicContact CD2-CB 4.38Å; Y255-I278 HydrophobicContact CD2-CD1 4Å; Y255-I278 HydrophobicContact CD2-CG1 3.91Å; Y255-I278 HydrophobicContact CE1-CD1 3.91Å; Y255-I278 HydrophobicContact CE2-CB 3.92Å; Y255-I278 HydrophobicContact CE2-CD1 4.22Å; Y255-I278 HydrophobicContact CE2-CG1 3.98Å; Y255-I278 HydrophobicContact CG-CD1 3.76Å; Y255-I278 HydrophobicContact CG-CG1 4.19Å
256	G	95.2	Very high	92.6	Very high	7 Å²	7	34.6 Å²	34.6	7%	0.072	18%	0.181	C	C	.	.			trans	109.7	-171.1	-175	0	0	0	0	0	112.1	Y254 I275	Y254-G256 VanDerWaalsContact C-N 3.31Å; Y254-G256 WeakPolarHBondContact CE2-O 3.32Å; Y254-G256 WeakPolarHBondContact OH-CA 3.49Å; G256-I275 PolarHBondContact O-N 3.22Å
257	T	94.8	Very high	90.9	Very high	25 Å²	25	39.4 Å²	39.4	15%	0.153	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-120.8	141.4	-171.6	-64.5	0	0	0	0	109.8	Y254 Q259 S272	Y254-T257 PolarHBondContact OH-OG1 2.91Å; T257-Q259 WeakPolarHBondContact O-CG 3.35Å; T257-Q259 PolarHBondContact O-N 3.49Å; T257-S272 VanDerWaalsContact CG2-OG 3.26Å; T257-S272 WeakPolarHBondContact CG2-OG 3.35Å
258	V	95.2	Very high	89.4	Confident	11 Å²	11	40.9 Å²	40.9	7%	0.067	22%	0.216	C	C	.	.			trans	-63.4	133.4	177.3	-176.8	0	0	0	0	110.5	I92 L204 N260 L263 I273 I275	I92-V258 HydrophobicContact CG2-CG2 4.22Å; L204-V258 HydrophobicContact CD2-CG1 3.76Å; L204-V258 HydrophobicContact CD2-CG2 4.25Å; V258-N260 WeakPolarHBondContact CG1-O 3.38Å; V258-L263 HydrophobicContact CB-CB 4.43Å; V258-L263 HydrophobicContact CG1-CB 3.79Å; V258-I273 HydrophobicContact CB-CB 4.49Å; V258-I273 HydrophobicContact CG2-CB 4.37Å; V258-I273 HydrophobicContact CG2-CG2 4.41Å; V258-I273 WeakPolarHBondContact CG2-O 3.31Å; V258-I273 PolarHBondContact N-O 3.47Å; V258-I275 HydrophobicContact CG2-CD1 3.97Å; V258-I275 HydrophobicContact CG2-CG1 3.65Å
259	Q	93.4	Very high	87.6	Confident	84 Å²	84	45.2 Å²	45.2	39%	0.393	25%	0.245	S	C	.	.			trans	-123.1	-32.2	178.3	-52.6	-139.9	-51.1	0	0	112.2	L204 T205 T257	L204-Q259 WeakPolarHBondContact O-CA 3.3Å; L204-Q259 PolarHBondContact O-N 2.85Å; T205-Q259 PolarHBondContact O-OE1 3.09Å; T257-Q259 WeakPolarHBondContact O-CG 3.35Å; T257-Q259 PolarHBondContact O-N 3.49Å
260	N	94.5	Very high	86.1	Confident	72 Å²	72	47.5 Å²	47.5	39%	0.385	27%	0.268	S	S	.	.	S	Bend	trans	-121.7	161.3	-175.8	-63.1	-35	0	0	0	112.1	W68 R203 L204 G206 V258	W68-N260 HydrophobicContact CH2-CB 4.48Å; W68-N260 HydrophobicContact CZ2-CB 4.2Å; R203-N260 WeakPolarHBondContact O-CB 3.19Å; R203-N260 PolarHBondContact O-ND2 3.25Å; L204-N260 PolarHBondContact O-N 3Å; G206-N260 VanDerWaalsContact CA-ND2 3.3Å; G206-N260 WeakPolarHBondContact CA-ND2 3.25Å; V258-N260 WeakPolarHBondContact CG1-O 3.38Å
261	G	93.4	Very high	84.8	Confident	11 Å²	11	49.8 Å²	49.8	11%	0.113	28%	0.28	C	S	.	.	S	Bend	trans	85.7	-173.9	179.9	0	0	0	0	0	112.7	L263 G264 Y265	G261-L263 PolarHBondContact O-N 3.39Å; G261-G264 PolarHBondContact O-N 2.99Å; G261-Y265 WeakPolarHBondContact O-CD2 3.33Å
262	P	92.2	Very high	84.2	Confident	26 Å²	26	52.7 Å²	52.7	17%	0.169	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.6	-174.5	-25.4	33.1	0	0	0	114.5	C72 L75 D76 P86	C72-P262 HydrophobicContact CB-CG 4.07Å; C72-P262 VanDerWaalsContact O-CG 3.3Å; C72-P262 WeakPolarHBondContact O-CG 3.48Å; L75-P262 HydrophobicContact CB-CG 4.33Å; D76-P262 HydrophobicContact CB-CB 4.22Å; D76-P262 HydrophobicContact CB-CG 4.04Å; P86-P262 WeakPolarHBondContact CG-O 3.44Å
263	L	91.4	Very high	84	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-12.7	178	-63.3	-179.5	0	0	0	113.9	L22 L75 L79 P86 I89 I92 V258 G261 I273	L22-L263 HydrophobicContact CD2-CD1 3.58Å; L22-L263 HydrophobicContact CD2-CD2 4.12Å; L22-L263 HydrophobicContact CD2-CG 4.37Å; L75-L263 HydrophobicContact CD1-CD1 3.78Å; L75-L263 HydrophobicContact CD1-CG 4.04Å; L79-L263 HydrophobicContact CD1-CD2 3.77Å; P86-L263 HydrophobicContact CB-CD2 4.15Å; I89-L263 HydrophobicContact CG1-CD2 4.36Å; I92-L263 HydrophobicContact CD1-CD1 3.89Å; V258-L263 HydrophobicContact CB-CB 4.43Å; V258-L263 HydrophobicContact CG1-CB 3.79Å; G261-L263 PolarHBondContact O-N 3.39Å; L263-I273 HydrophobicContact CB-CD1 3.92Å; L263-I273 HydrophobicContact CD2-CD1 3.92Å; L263-I273 HydrophobicContact CG-CD1 4.37Å
264	G	85.3	Confident	83.9	Confident	29 Å²	29	50.9 Å²	50.9	30%	0.299	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-25.1	177.5	0	0	0	0	0	113.3	G261 S266	G261-G264 PolarHBondContact O-N 2.99Å; G264-S266 PolarHBondContact O-N 3.09Å
265	Y	70.9	Confident	84	Confident	194 Å²	194	47.1 Å²	47.1	76%	0.761	28%	0.279	S	S	*	.			trans	-82.6	56.9	176	-54.5	-68.3	0	0	0	111.1	G261	G261-Y265 WeakPolarHBondContact O-CD2 3.33Å
266	S	65.6	Low	84	Confident	26 Å²	26	47 Å²	47	18%	0.182	28%	0.278	C	S	.	.			trans	-71.6	132.5	168.2	176.9	0	0	0	0	109	D87 G264 N268	D87-S266 VanDerWaalsContact CG-OG 3.25Å; D87-S266 WeakPolarHBondContact OD1-CA 3.34Å; D87-S266 VanDerWaalsContact OD1-CB 3.24Å; D87-S266 WeakPolarHBondContact OD1-CB 3.45Å; D87-S266 PolarHBondContact OD1-OG 2.77Å; G264-S266 PolarHBondContact O-N 3.09Å; S266-N268 PolarHBondContact O-N 2.65Å; S266-N268 PolarHBondContact OG-N 2.9Å; S266-N268 VanDerWaalsContact OG-N 3.12Å; S266-N268 PolarHBondContact OG-O 3.42Å
267	S	63.6	Low	84.2	Confident	104 Å²	104	46.6 Å²	46.6	73%	0.727	27%	0.274	S	S	*	.	S	Bend	trans	-68.1	-11.7	171.5	48.8	0	0	0	0	112	D87	D87-S267 PolarHBondContact OD2-OG 3.37Å
268	N	65	Low	84.4	Confident	60 Å²	60	45.4 Å²	45.4	32%	0.321	27%	0.267	S	S	.	.	S	Bend	trans	-121	102.1	175.8	-172.1	-11.8	0	0	0	111	S266 S270 L271	S266-N268 PolarHBondContact O-N 2.65Å; S266-N268 PolarHBondContact OG-N 2.9Å; S266-N268 VanDerWaalsContact OG-N 3.12Å; S266-N268 PolarHBondContact OG-O 3.42Å; N268-S270 PolarHBondContact ND2-OG 3.18Å; N268-S270 PolarHBondContact O-N 3.29Å; N268-S270 WeakPolarHBondContact OD1-CB 3.48Å; N268-S270 PolarHBondContact OD1-N 2.81Å; N268-S270 VanDerWaalsContact OD1-N 3.08Å; N268-S270 PolarHBondContact OD1-OG 2.88Å; N268-L271 HydrophobicContact CB-CB 4.35Å; N268-L271 HydrophobicContact CB-CD1 4.01Å; N268-L271 HydrophobicContact CB-CG 4.16Å; N268-L271 PolarHBondContact O-N 2.95Å
269	P	59.8	Low	84.5	Confident	124 Å²	124	44.9 Å²	44.9	81%	0.805	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-19.3	178.5	-24.3	32.2	0	0	0	114.9
270	S	65.9	Low	84.7	Confident	92 Å²	92	40.9 Å²	40.9	64%	0.643	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.8	176.3	70.5	0	0	0	0	114.2	N268 S272	N268-S270 PolarHBondContact ND2-OG 3.18Å; N268-S270 PolarHBondContact O-N 3.29Å; N268-S270 WeakPolarHBondContact OD1-CB 3.48Å; N268-S270 PolarHBondContact OD1-N 2.81Å; N268-S270 VanDerWaalsContact OD1-N 3.08Å; N268-S270 PolarHBondContact OD1-OG 2.88Å; S270-S272 PolarHBondContact O-N 3.42Å
271	L	70.2	Confident	84.7	Confident	48 Å²	48	39.4 Å²	39.4	25%	0.251	24%	0.237	S	C	.	.			trans	-98.9	66.3	-179.7	-66.5	177.7	0	0	0	110.9	D87 N268	D87-L271 HydrophobicContact CB-CD1 3.87Å; N268-L271 HydrophobicContact CB-CB 4.35Å; N268-L271 HydrophobicContact CB-CD1 4.01Å; N268-L271 HydrophobicContact CB-CG 4.16Å; N268-L271 PolarHBondContact O-N 2.95Å
272	S	84.6	Confident	84.7	Confident	61 Å²	61	39.9 Å²	39.9	43%	0.427	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-77.9	124.5	179.3	86.7	0	0	0	0	110.6	T257 S270 P274	T257-S272 VanDerWaalsContact CG2-OG 3.26Å; T257-S272 WeakPolarHBondContact CG2-OG 3.35Å; S270-S272 PolarHBondContact O-N 3.42Å; S272-P274 WeakPolarHBondContact O-CD 2.98Å
273	I	93.2	Very high	84.8	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.021	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-82.4	117.1	-175.2	-60.1	165.9	0	0	0	110	P86 I89 I92 V258 L263	P86-I273 HydrophobicContact CB-CD1 4.14Å; P86-I273 WeakPolarHBondContact O-CD1 3.32Å; I89-I273 HydrophobicContact CB-CD1 4.11Å; I89-I273 HydrophobicContact CB-CG1 4.5Å; I89-I273 HydrophobicContact CB-CG2 4.45Å; I89-I273 HydrophobicContact CG2-CG2 3.86Å; I92-I273 HydrophobicContact CG2-CG2 4.46Å; V258-I273 HydrophobicContact CB-CB 4.49Å; V258-I273 HydrophobicContact CG2-CB 4.37Å; V258-I273 HydrophobicContact CG2-CG2 4.41Å; V258-I273 WeakPolarHBondContact CG2-O 3.31Å; V258-I273 PolarHBondContact N-O 3.47Å; L263-I273 HydrophobicContact CB-CD1 3.92Å; L263-I273 HydrophobicContact CD2-CD1 3.92Å; L263-I273 HydrophobicContact CG-CD1 4.37Å
274	P	95	Very high	85	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.026	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-79.5	141.3	179.3	34.6	-36.4	0	0	0	111.6	N90 C91 I92 Y254 S272 T276 Y334	N90-P274 WeakPolarHBondContact O-CD 2.81Å; N90-P274 WeakPolarHBondContact O-CG 3.4Å; C91-P274 WeakPolarHBondContact CA-O 3.48Å; C91-P274 HydrophobicContact CB-CG 4.28Å; I92-P274 PolarHBondContact N-O 2.97Å; I92-P274 VanDerWaalsContact N-O 3.13Å; Y254-P274 HydrophobicContact CD2-CB 4.12Å; Y254-P274 HydrophobicContact CE2-CB 3.97Å; S272-P274 WeakPolarHBondContact O-CD 2.98Å; P274-T276 HydrophobicContact CB-CG2 3.88Å; P274-T276 HydrophobicContact CG-CG2 4.17Å; P274-Y334 HydrophobicContact CB-CD1 4.08Å; P274-Y334 HydrophobicContact CB-CE1 3.86Å; P274-Y334 HydrophobicContact CG-CD1 4.13Å; P274-Y334 HydrophobicContact CG-CE1 3.98Å
275	I	97.9	Very high	85.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	108.4	169.8	-52.7	163.2	0	0	0	106.2	I92 I94 L201 L204 T205 Y255 G256 V258	I92-I275 HydrophobicContact CG2-CB 4.04Å; I92-I275 HydrophobicContact CG2-CG1 3.64Å; I92-I275 HydrophobicContact CG2-CG2 4.2Å; I94-I275 HydrophobicContact CD1-CG2 4.45Å; L201-I275 HydrophobicContact CD1-CB 4.41Å; L201-I275 HydrophobicContact CD1-CD1 3.65Å; L201-I275 HydrophobicContact CD1-CG2 4.09Å; L204-I275 HydrophobicContact CB-CD1 3.79Å; L204-I275 HydrophobicContact CD1-CD1 4.05Å; T205-I275 HydrophobicContact CG2-CD1 3.64Å; Y255-I275 WeakPolarHBondContact CB-O 3.5Å; Y255-I275 PolarHBondContact N-O 2.81Å; G256-I275 PolarHBondContact O-N 3.22Å; V258-I275 HydrophobicContact CG2-CD1 3.97Å; V258-I275 HydrophobicContact CG2-CG1 3.65Å
276	T	97.9	Very high	86.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	0.4	-170.3	54.6	0	0	0	0	113.8	C91 I92 Y253 P274 A538 A542	C91-T276 HydrophobicContact CB-CG2 4.41Å; C91-T276 VanDerWaalsContact CB-OG1 3.32Å; C91-T276 WeakPolarHBondContact CB-OG1 3.3Å; I92-T276 PolarHBondContact O-N 3.26Å; I92-T276 VanDerWaalsContact O-N 3.14Å; Y253-T276 PolarHBondContact N-O 3.42Å; Y253-T276 CarbonylContact O-C 3.53Å; Y253-T276 WeakPolarHBondContact O-CA 3.25Å; Y253-T276 VanDerWaalsContact O-O 3.04Å; P274-T276 HydrophobicContact CB-CG2 3.88Å; P274-T276 HydrophobicContact CG-CG2 4.17Å; T276-A538 WeakPolarHBondContact CB-O 3.21Å; T276-A538 WeakPolarHBondContact OG1-CA 3.11Å; T276-A538 PolarHBondContact OG1-O 3.47Å; T276-A542 HydrophobicContact CG2-CB 4.23Å
277	G	98.4	Very high	87.8	Confident	0 Å²	0	27 Å²	27	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127.8	179.1	0	0	0	0	0	113.7	G93 I94 S251	G93-G277 CarbonylContact C-O 3.17Å; G93-G277 WeakPolarHBondContact CA-O 3.26Å; I94-G277 PolarHBondContact N-O 2.87Å; S251-G277 WeakPolarHBondContact O-CA 3.42Å
278	I	98.7	Very high	89.1	Confident	0 Å²	0	22 Å²	22	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.3	168.3	-66.5	-176.5	0	0	0	108.1	I94 E197 L201 D213 S251 Y255	I94-I278 WeakPolarHBondContact O-CA 3.36Å; E197-I278 HydrophobicContact CB-CG2 3.74Å; E197-I278 HydrophobicContact CG-CG2 3.42Å; E197-I278 VanDerWaalsContact CG-CG2 3.42Å; L201-I278 HydrophobicContact CB-CD1 4.21Å; L201-I278 HydrophobicContact CD1-CD1 4.35Å; L201-I278 HydrophobicContact CD2-CD1 3.74Å; L201-I278 HydrophobicContact CG-CD1 4.32Å; D213-I278 HydrophobicContact CB-CB 4.08Å; D213-I278 HydrophobicContact CB-CG2 3.87Å; D213-I278 WeakPolarHBondContact CB-O 3.47Å; S251-I278 VanDerWaalsContact CA-O 3.22Å; S251-I278 WeakPolarHBondContact CA-O 3.23Å; S251-I278 WeakPolarHBondContact CB-O 3.49Å; S251-I278 PolarHBondContact O-N 3.08Å; Y255-I278 HydrophobicContact CD1-CD1 3.72Å; Y255-I278 HydrophobicContact CD1-CG1 4.49Å; Y255-I278 HydrophobicContact CD2-CB 4.38Å; Y255-I278 HydrophobicContact CD2-CD1 4Å; Y255-I278 HydrophobicContact CD2-CG1 3.91Å; Y255-I278 HydrophobicContact CE1-CD1 3.91Å; Y255-I278 HydrophobicContact CE2-CB 3.92Å; Y255-I278 HydrophobicContact CE2-CD1 4.22Å; Y255-I278 HydrophobicContact CE2-CG1 3.98Å; Y255-I278 HydrophobicContact CG-CD1 3.76Å; Y255-I278 HydrophobicContact CG-CG1 4.19Å
279	I	98.5	Very high	90.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	154.5	-178.4	-171	160.6	0	0	0	111.3	I94 S95 V96 Q283 A284 L287 W328 V537	I94-I279 PolarHBondContact O-N 2.76Å; S95-I279 VanDerWaalsContact CA-O 3.26Å; S95-I279 WeakPolarHBondContact CA-O 3.48Å; V96-I279 PolarHBondContact N-O 3.13Å; I279-Q283 HydrophobicContact CD1-CB 3.91Å; I279-Q283 HydrophobicContact CG1-CB 3.79Å; I279-A284 HydrophobicContact CD1-CB 4.4Å; I279-A284 HydrophobicContact CG1-CB 4.32Å; I279-A284 HydrophobicContact CG2-CB 3.69Å; I279-L287 HydrophobicContact CD1-CD1 4.24Å; I279-W328 HydrophobicContact CD1-CB 4.42Å; I279-W328 HydrophobicContact CD1-CE3 4.46Å; I279-V537 HydrophobicContact CB-CG2 4.3Å; I279-V537 HydrophobicContact CD1-CG2 3.68Å; I279-V537 HydrophobicContact CG2-CG2 4.19Å
280	G	97.2	Very high	91.4	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	145.5	169.1	0	0	0	0	0	112.8	S215 A282 Q283 A284	S215-G280 PolarHBondContact OG-N 3.02Å; G280-A282 PolarHBondContact O-N 2.94Å; G280-Q283 WeakPolarHBondContact O-CB 3.39Å; G280-Q283 PolarHBondContact O-N 3.25Å; G280-Q283 PolarHBondContact O-OE1 2.67Å; G280-A284 WeakPolarHBondContact O-CB 3.29Å; G280-A284 PolarHBondContact O-N 2.82Å
281	D	94.4	Very high	92.4	Very high	40 Å²	40	10.6 Å²	10.6	21%	0.214	7%	0.065	C	C	.	.	H	α-helix	trans	-49	-49.4	-179.3	59.6	-7.4	0	0	0	114.9	S95 V96 Q97 R98 Q283 A284 A285 S530	S95-D281 VanDerWaalsContact OG-CA 3.23Å; S95-D281 WeakPolarHBondContact OG-CA 3.37Å; S95-D281 PolarHBondContact OG-N 2.75Å; V96-D281 WeakPolarHBondContact O-CB 3.3Å; V96-D281 PolarHBondContact O-N 2.87Å; Q97-D281 WeakPolarHBondContact CA-OD2 3.46Å; R98-D281 IonicContact NE-OD1 3.12Å; D281-Q283 VanDerWaalsContact C-N 3.28Å; D281-Q283 PolarHBondContact O-N 3.4Å; D281-A284 PolarHBondContact O-N 3.4Å; D281-A285 WeakPolarHBondContact O-CB 3.41Å; D281-A285 PolarHBondContact O-N 3Å; D281-S530 PolarHBondContact O-OG 3Å
282	A	92.1	Very high	93.2	Very high	22 Å²	22	9.4 Å²	9.4	18%	0.182	6%	0.059	C	C	.	.	H	α-helix	trans	-63.2	-37.5	-179.9	0	0	0	0	0	111.6	G280 T286 N308	G280-A282 PolarHBondContact O-N 2.94Å; A282-T286 WeakPolarHBondContact O-CB 3.39Å; A282-T286 PolarHBondContact O-N 2.8Å; A282-T286 VanDerWaalsContact O-N 3.13Å; A282-T286 PolarHBondContact O-OG1 3.3Å; A282-N308 PolarHBondContact O-ND2 3.14Å
283	Q	95.1	Very high	93.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-74.3	-43.9	178.1	-64	97.5	-43.2	0	0	111.5	R98 S215 I279 G280 D281 A285 T286 L287 I326 G327 W328 L371	R98-Q283 VanDerWaalsContact NH1-OE1 3.08Å; S215-Q283 PolarHBondContact O-NE2 2.78Å; I279-Q283 HydrophobicContact CD1-CB 3.91Å; I279-Q283 HydrophobicContact CG1-CB 3.79Å; G280-Q283 WeakPolarHBondContact O-CB 3.39Å; G280-Q283 PolarHBondContact O-N 3.25Å; G280-Q283 PolarHBondContact O-OE1 2.67Å; D281-Q283 VanDerWaalsContact C-N 3.28Å; D281-Q283 PolarHBondContact O-N 3.4Å; Q283-A285 VanDerWaalsContact C-N 3.34Å; Q283-A285 PolarHBondContact O-N 2.96Å; Q283-T286 WeakPolarHBondContact O-CB 3.49Å; Q283-T286 PolarHBondContact O-N 2.95Å; Q283-L287 WeakPolarHBondContact O-CB 3.3Å; Q283-L287 PolarHBondContact O-N 3.42Å; Q283-I326 PolarHBondContact NE2-O 3.27Å; Q283-G327 VanDerWaalsContact CB-O 3.32Å; Q283-G327 WeakPolarHBondContact CB-O 3.3Å; Q283-G327 VanDerWaalsContact CG-O 3.29Å; Q283-G327 WeakPolarHBondContact CG-O 3.35Å; Q283-W328 HydrophobicContact CB-CE3 4.25Å; Q283-L371 HydrophobicContact CG-CD1 3.73Å
284	A	96	Very high	93.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-54.5	-51.5	174.5	0	0	0	0	0	110.7	I279 G280 D281 T286 L287 T288	I279-A284 HydrophobicContact CD1-CB 4.4Å; I279-A284 HydrophobicContact CG1-CB 4.32Å; I279-A284 HydrophobicContact CG2-CB 3.69Å; G280-A284 WeakPolarHBondContact O-CB 3.29Å; G280-A284 PolarHBondContact O-N 2.82Å; D281-A284 PolarHBondContact O-N 3.4Å; A284-T286 PolarHBondContact O-N 2.97Å; A284-L287 WeakPolarHBondContact O-CB 3.39Å; A284-L287 PolarHBondContact O-N 3.17Å; A284-T288 PolarHBondContact O-N 2.91Å; A284-T288 VanDerWaalsContact O-N 3.17Å
285	A	93	Very high	92.8	Very high	7 Å²	7	17.5 Å²	17.5	6%	0.058	10%	0.1	C	C	.	.	H	α-helix	trans	-69.8	-16.5	177.5	0	0	0	0	0	114.1	D281 Q283 T288 E289 K298 C529	D281-A285 WeakPolarHBondContact O-CB 3.41Å; D281-A285 PolarHBondContact O-N 3Å; Q283-A285 VanDerWaalsContact C-N 3.34Å; Q283-A285 PolarHBondContact O-N 2.96Å; A285-T288 PolarHBondContact O-OG1 3.49Å; A285-E289 VanDerWaalsContact O-CG 3.26Å; A285-E289 WeakPolarHBondContact O-CG 3.49Å; A285-K298 VanDerWaalsContact O-CE 3.22Å; A285-K298 WeakPolarHBondContact O-CE 3.45Å; A285-K298 PolarHBondContact O-NZ 2.99Å; A285-C529 HydrophobicContact CB-CB 3.78Å
286	T	93.8	Very high	92.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-81.5	-41	173	-59.3	0	0	0	0	110.4	A282 Q283 A284 T288 E289 C291 K298 N308 W328	A282-T286 WeakPolarHBondContact O-CB 3.39Å; A282-T286 PolarHBondContact O-N 2.8Å; A282-T286 VanDerWaalsContact O-N 3.13Å; A282-T286 PolarHBondContact O-OG1 3.3Å; Q283-T286 WeakPolarHBondContact O-CB 3.49Å; Q283-T286 PolarHBondContact O-N 2.95Å; A284-T286 PolarHBondContact O-N 2.97Å; T286-T288 PolarHBondContact O-N 3.18Å; T286-E289 PolarHBondContact O-N 3.04Å; T286-C291 HydrophobicContact CG2-CB 3.87Å; T286-C291 WeakPolarHBondContact O-CB 3.46Å; T286-K298 HydrophobicContact CG2-CB 4.22Å; T286-N308 HydrophobicContact CG2-CB 4.21Å; T286-N308 PolarHBondContact OG1-ND2 2.95Å; T286-W328 HydrophobicContact CG2-CH2 4.07Å; T286-W328 HydrophobicContact CG2-CZ3 4.21Å
287	L	93.1	Very high	92.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-44.4	178.7	-172.6	153.5	0	0	0	111.2	I279 Q283 A284 E289 N290 L292 W328 I536 V537 F548 T552	I279-L287 HydrophobicContact CD1-CD1 4.24Å; Q283-L287 WeakPolarHBondContact O-CB 3.3Å; Q283-L287 PolarHBondContact O-N 3.42Å; A284-L287 WeakPolarHBondContact O-CB 3.39Å; A284-L287 PolarHBondContact O-N 3.17Å; L287-E289 VanDerWaalsContact C-N 3.28Å; L287-E289 PolarHBondContact O-N 3.31Å; L287-N290 PolarHBondContact O-N 2.88Å; L287-L292 HydrophobicContact CG-CD2 4.02Å; L287-W328 HydrophobicContact CB-CE3 4.14Å; L287-W328 HydrophobicContact CB-CH2 4.27Å; L287-W328 HydrophobicContact CB-CZ3 3.93Å; L287-W328 HydrophobicContact CD1-CD2 3.97Å; L287-W328 HydrophobicContact CD1-CE3 4.09Å; L287-W328 HydrophobicContact CD1-CG 4.24Å; L287-I536 HydrophobicContact CD2-CB 3.82Å; L287-I536 HydrophobicContact CD2-CD1 3.88Å; L287-I536 HydrophobicContact CD2-CG1 4.47Å; L287-I536 HydrophobicContact CD2-CG2 3.4Å; L287-V537 HydrophobicContact CD1-CG2 3.82Å; L287-F548 HydrophobicContact CD1-CB 4.35Å; L287-F548 HydrophobicContact CD1-CD1 3.82Å; L287-F548 HydrophobicContact CD1-CD2 4.13Å; L287-F548 HydrophobicContact CD1-CE1 4.16Å; L287-F548 HydrophobicContact CD1-CE2 4.42Å; L287-F548 HydrophobicContact CD1-CG 3.83Å; L287-F548 HydrophobicContact CD1-CZ 4.43Å; L287-T552 HydrophobicContact CD2-CG2 4.28Å; L287-T552 WeakPolarHBondContact O-CG2 3.32Å
288	T	92	Very high	92.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.6	179.1	51.8	0	0	0	0	114.7	A284 A285 T286 N290 C529 L532 I536	A284-T288 PolarHBondContact O-N 2.91Å; A284-T288 VanDerWaalsContact O-N 3.17Å; A285-T288 PolarHBondContact O-OG1 3.49Å; T286-T288 PolarHBondContact O-N 3.18Å; T288-N290 PolarHBondContact O-N 3.01Å; T288-C529 WeakPolarHBondContact CG2-O 3.44Å; T288-C529 WeakPolarHBondContact OG1-CB 3.43Å; T288-L532 HydrophobicContact CG2-CB 3.87Å; T288-L532 HydrophobicContact CG2-CD2 4.11Å; T288-L532 HydrophobicContact CG2-CG 3.75Å; T288-I536 HydrophobicContact CG2-CD1 4.1Å
289	E	88.7	Confident	92.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	8.9	-178.5	-61.8	-71.4	175.4	0	0	112.4	A285 T286 L287 C291 K298 N500 R524 C529	A285-E289 VanDerWaalsContact O-CG 3.26Å; A285-E289 WeakPolarHBondContact O-CG 3.49Å; T286-E289 PolarHBondContact O-N 3.04Å; L287-E289 VanDerWaalsContact C-N 3.28Å; L287-E289 PolarHBondContact O-N 3.31Å; E289-C291 PolarHBondContact O-N 3.36Å; E289-C291 VanDerWaalsContact O-N 3.16Å; E289-K298 HydrophobicContact CB-CG 4.37Å; E289-K298 HydrophobicContact CG-CG 4.13Å; E289-N500 WeakPolarHBondContact OE1-CB 3.41Å; E289-N500 PolarHBondContact OE1-ND2 3.48Å; E289-R524 PolarHBondContact O-NE 2.89Å; E289-R524 PolarHBondContact O-NH2 3.29Å; E289-R524 WeakPolarHBondContact OE2-CB 3.46Å; E289-R524 VanDerWaalsContact OE2-CD 3.27Å; E289-R524 WeakPolarHBondContact OE2-CD 3.48Å; E289-R524 VanDerWaalsContact OE2-CG 3.28Å; E289-R524 WeakPolarHBondContact OE2-CG 3.47Å; E289-R524 IonicContact OE2-NE 3.79Å; E289-C529 PolarHBondContact OE1-SG 2.91Å
290	N	84.2	Confident	91.9	Very high	36 Å²	36	20.4 Å²	20.4	19%	0.193	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	27.2	-172.5	-157.8	34.2	0	0	0	113	L287 T288 L292 Q296 T552	L287-N290 PolarHBondContact O-N 2.88Å; T288-N290 PolarHBondContact O-N 3.01Å; N290-L292 VanDerWaalsContact C-N 3.3Å; N290-L292 PolarHBondContact O-N 3.43Å; N290-L292 VanDerWaalsContact O-N 3.16Å; N290-Q296 PolarHBondContact O-NE2 2.75Å; N290-Q296 PolarHBondContact O-OE1 2.92Å; N290-T552 WeakPolarHBondContact OD1-CB 3.47Å; N290-T552 PolarHBondContact OD1-OG1 2.93Å
291	C	86.9	Confident	91.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.			trans	-82.6	85	168.3	-159.5	0	0	0	0	105.1	T286 E289 Q296 K298 I310 W328 Y498	T286-C291 HydrophobicContact CG2-CB 3.87Å; T286-C291 WeakPolarHBondContact O-CB 3.46Å; E289-C291 PolarHBondContact O-N 3.36Å; E289-C291 VanDerWaalsContact O-N 3.16Å; C291-Q296 VanDerWaalsContact SG-C 3.57Å; C291-Q296 WeakPolarHBondContact SG-CB 3.5Å; C291-K298 HydrophobicContact CB-CB 4.35Å; C291-I310 HydrophobicContact CB-CD1 3.95Å; C291-I310 WeakPolarHBondContact O-CD1 3.4Å; C291-I310 WeakPolarHBondContact SG-CD1 3.46Å; C291-W328 WeakPolarHBondContact O-CH2 3.2Å; C291-Y498 HydrophobicContact CB-CD2 4Å; C291-Y498 HydrophobicContact CB-CE2 4.35Å
292	L	87.4	Confident	91.3	Very high	24 Å²	24	19.5 Å²	19.5	13%	0.126	12%	0.117	C	C	.	.			trans	-124	-24	-176.3	-63	-179	0	0	0	112.9	L287 N290 W328 F548 F549 T552	L287-L292 HydrophobicContact CG-CD2 4.02Å; N290-L292 VanDerWaalsContact C-N 3.3Å; N290-L292 PolarHBondContact O-N 3.43Å; N290-L292 VanDerWaalsContact O-N 3.16Å; L292-W328 HydrophobicContact CD2-CH2 4.17Å; L292-W328 HydrophobicContact CD2-CZ2 3.53Å; L292-F548 HydrophobicContact CD1-CB 4.3Å; L292-F548 HydrophobicContact CD2-CB 4.26Å; L292-F549 HydrophobicContact CD1-CB 4.18Å; L292-F549 HydrophobicContact CD1-CD2 4.47Å; L292-T552 HydrophobicContact CD1-CG2 3.96Å; L292-T552 WeakPolarHBondContact CD1-OG1 3.43Å
293	S	89.7	Confident	90.8	Very high	57 Å²	57	23.2 Å²	23.2	40%	0.399	14%	0.137	S	C	.	.	S	Bend	trans	-91.3	149.4	-175.8	-63.4	0	0	0	0	111.6	F295 Q296 I310	S293-F295 PolarHBondContact O-N 3.06Å; S293-Q296 PolarHBondContact O-N 3.03Å; S293-I310 WeakPolarHBondContact O-CB 3.44Å; S293-I310 WeakPolarHBondContact O-CG2 3.22Å
294	P	86.5	Confident	90.3	Very high	69 Å²	69	23.4 Å²	23.4	45%	0.448	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	142.2	170.5	-25.6	33.8	0	0	0	111.6	Q296	P294-Q296 PolarHBondContact O-N 2.95Å
295	F	88.3	Confident	90.1	Very high	112 Å²	112	23.4 Å²	23.4	49%	0.491	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	4.2	177.6	-35.3	-45.1	0	0	0	115.1	S293 I310 I492 P494	S293-F295 PolarHBondContact O-N 3.06Å; F295-I310 PolarHBondContact N-O 2.84Å; F295-I492 HydrophobicContact CB-CG2 3.87Å; F295-I492 HydrophobicContact CD1-CB 4.05Å; F295-I492 HydrophobicContact CD1-CD1 3.94Å; F295-I492 HydrophobicContact CD1-CG1 3.66Å; F295-I492 HydrophobicContact CD1-CG2 3.45Å; F295-I492 VanDerWaalsContact CD1-CG2 3.45Å; F295-I492 HydrophobicContact CE1-CD1 4.08Å; F295-I492 HydrophobicContact CE1-CG1 3.76Å; F295-I492 HydrophobicContact CE1-CG2 4.4Å; F295-I492 HydrophobicContact CG-CG2 4.06Å; F295-P494 WeakPolarHBondContact O-CA 3.39Å; F295-P494 WeakPolarHBondContact O-CB 3.41Å
296	Q	93	Very high	90.1	Very high	25 Å²	25	27.1 Å²	27.1	12%	0.117	15%	0.154	C	C	.	.			trans	-77.7	151.1	164	-65.7	178.4	-55	0	0	110.8	N290 C291 S293 P294 I310 Y498	N290-Q296 PolarHBondContact O-NE2 2.75Å; N290-Q296 PolarHBondContact O-OE1 2.92Å; C291-Q296 VanDerWaalsContact SG-C 3.57Å; C291-Q296 WeakPolarHBondContact SG-CB 3.5Å; S293-Q296 PolarHBondContact O-N 3.03Å; P294-Q296 PolarHBondContact O-N 2.95Å; Q296-I310 HydrophobicContact CB-CD1 4.36Å; Q296-I310 PolarHBondContact O-N 3.35Å; Q296-Y498 HydrophobicContact CB-CE2 4.25Å; Q296-Y498 HydrophobicContact CG-CE2 4.32Å; Q296-Y498 PolarHBondContact NE2-OH 2.89Å; Q296-Y498 VanDerWaalsContact NE2-OH 3.11Å
297	A	94.6	Very high	90	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.6	177.3	0	0	0	0	0	111.2	L307 N308 L309 P494 L497 Y498	A297-L307 HydrophobicContact CB-CD1 4.18Å; A297-N308 CarbonylContact C-O 3.57Å; A297-N308 WeakPolarHBondContact CA-O 3.44Å; A297-L309 HydrophobicContact CB-CD1 3.85Å; A297-P494 HydrophobicContact CB-CB 3.77Å; A297-P494 HydrophobicContact CB-CG 3.86Å; A297-L497 HydrophobicContact CB-CD1 3.7Å; A297-Y498 WeakPolarHBondContact O-CD2 3.15Å; A297-Y498 PolarHBondContact O-N 3.46Å
298	K	95.1	Very high	90	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.9	175.1	-178.6	-103.6	-167.2	169.4	0	109.6	A285 T286 E289 C291 T300 L307 N308 Y498 N500	A285-K298 VanDerWaalsContact O-CE 3.22Å; A285-K298 WeakPolarHBondContact O-CE 3.45Å; A285-K298 PolarHBondContact O-NZ 2.99Å; T286-K298 HydrophobicContact CG2-CB 4.22Å; E289-K298 HydrophobicContact CB-CG 4.37Å; E289-K298 HydrophobicContact CG-CG 4.13Å; C291-K298 HydrophobicContact CB-CB 4.35Å; K298-T300 VanDerWaalsContact CE-OG1 3.26Å; K298-T300 WeakPolarHBondContact CE-OG1 3.38Å; K298-T300 PolarHBondContact NZ-OG1 3.47Å; K298-L307 CarbonylContact O-C 3.53Å; K298-L307 WeakPolarHBondContact O-CA 3.02Å; K298-N308 PolarHBondContact N-O 3.44Å; K298-N308 PolarHBondContact O-N 3.29Å; K298-Y498 CarbonylContact C-O 3.3Å; K298-Y498 VanDerWaalsContact CA-O 3.3Å; K298-Y498 WeakPolarHBondContact CA-O 3.3Å; K298-N500 VanDerWaalsContact CE-ND2 3.27Å; K298-N500 WeakPolarHBondContact CE-ND2 3.41Å
299	L	95.2	Very high	90.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.3	-179.9	-176	71.8	0	0	0	109.7	L301 M305 F306 L307 T479 L497 Y498 V499 N500 M513	L299-L301 HydrophobicContact CD2-CD2 3.67Å; L299-L301 HydrophobicContact CD2-CG 4.2Å; L299-L301 HydrophobicContact CG-CD2 3.91Å; L299-L301 HydrophobicContact CG-CG 4.23Å; L299-M305 HydrophobicContact CD1-CB 4.1Å; L299-M305 HydrophobicContact CD1-CE 4.44Å; L299-M305 HydrophobicContact CD2-CE 4.02Å; L299-F306 CarbonylContact C-O 3.38Å; L299-F306 WeakPolarHBondContact CA-O 3.41Å; L299-L307 HydrophobicContact CB-CD1 4.4Å; L299-L307 HydrophobicContact CD1-CB 3.9Å; L299-L307 HydrophobicContact CD1-CD1 4.19Å; L299-T479 HydrophobicContact CD2-CG2 3.79Å; L299-L497 HydrophobicContact CB-CD1 3.97Å; L299-L497 HydrophobicContact CB-CD2 4.34Å; L299-L497 HydrophobicContact CB-CG 4.28Å; L299-L497 HydrophobicContact CD2-CD2 4.11Å; L299-Y498 PolarHBondContact N-O 3.3Å; L299-V499 HydrophobicContact CB-CG1 4.26Å; L299-V499 WeakPolarHBondContact O-CA 3.41Å; L299-N500 PolarHBondContact O-N 2.94Å; L299-M513 HydrophobicContact CD2-CE 4.21Å; L299-M513 HydrophobicContact CD2-SD 3.93Å
300	T	92.9	Very high	90.3	Very high	33 Å²	33	27.5 Å²	27.5	20%	0.202	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.4	170.8	-64.2	0	0	0	0	109.5	K298 M305 F306 N500	K298-T300 VanDerWaalsContact CE-OG1 3.26Å; K298-T300 WeakPolarHBondContact CE-OG1 3.38Å; K298-T300 PolarHBondContact NZ-OG1 3.47Å; T300-M305 WeakPolarHBondContact O-CA 3.37Å; T300-F306 PolarHBondContact N-O 2.74Å; T300-F306 PolarHBondContact O-N 2.85Å; T300-N500 WeakPolarHBondContact CA-OD1 3.43Å; T300-N500 WeakPolarHBondContact CB-OD1 3.5Å; T300-N500 WeakPolarHBondContact CG2-OD1 3.36Å; T300-N500 PolarHBondContact OG1-OD1 2.87Å
301	L	92.7	Very high	90.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	83.9	179	-61.4	173	0	0	0	109.1	L299 M305 I475 V499 N500 G501 N502 V503 A504 L510 M513	L299-L301 HydrophobicContact CD2-CD2 3.67Å; L299-L301 HydrophobicContact CD2-CG 4.2Å; L299-L301 HydrophobicContact CG-CD2 3.91Å; L299-L301 HydrophobicContact CG-CG 4.23Å; L301-M305 HydrophobicContact CD2-CB 4.37Å; L301-M305 HydrophobicContact CD2-CE 4.18Å; L301-M305 HydrophobicContact CD2-CG 3.91Å; L301-I475 HydrophobicContact CD2-CG2 4.37Å; L301-V499 HydrophobicContact CD1-CG1 4.41Å; L301-N500 PolarHBondContact N-O 3.44Å; L301-G501 CarbonylContact O-C 3.59Å; L301-G501 VanDerWaalsContact O-C 3.3Å; L301-G501 WeakPolarHBondContact O-CA 3.42Å; L301-N502 PolarHBondContact O-N 2.82Å; L301-V503 HydrophobicContact CB-CB 3.79Å; L301-V503 HydrophobicContact CB-CG1 4.14Å; L301-V503 WeakPolarHBondContact O-CB 3.4Å; L301-V503 PolarHBondContact O-N 3.27Å; L301-A504 HydrophobicContact CB-CB 4.38Å; L301-A504 HydrophobicContact CD1-CB 4.02Å; L301-L510 HydrophobicContact CD1-CD2 3.97Å; L301-M513 HydrophobicContact CD1-CE 3.99Å; L301-M513 HydrophobicContact CD2-CE 4.32Å
302	G	86.7	Confident	90.8	Very high	22 Å²	22	26.9 Å²	26.9	23%	0.227	16%	0.156	C	C	.	.	S	Bend	trans	-108.4	-137.9	174.3	0	0	0	0	0	110.7	G304 A379 G380	G302-G304 CarbonylContact C-O 3.58Å; G302-G304 PolarHBondContact N-O 2.63Å; G302-G304 PolarHBondContact O-N 3.04Å; G302-A379 WeakPolarHBondContact O-CB 3.36Å; G302-G380 WeakPolarHBondContact O-CA 3.23Å; G302-G380 PolarHBondContact O-N 3.4Å
303	T	81.5	Confident	90.9	Very high	100 Å²	100	30.6 Å²	30.6	61%	0.613	18%	0.184	S	C	*	.	S	Bend	trans	-52.2	-45.3	169.6	-54.1	0	0	0	0	111.3	A379 G380 T381	T303-A379 PolarHBondContact O-N 2.7Å; T303-G380 PolarHBondContact O-N 2.84Å; T303-T381 HydrophobicContact CG2-CG2 3.35Å; T303-T381 PolarHBondContact O-N 2.94Å; T303-T381 VanDerWaalsContact O-N 3.16Å
304	G	85	Confident	90.7	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.031	19%	0.192	C	C	.	.	S	Bend	trans	-118.6	-174.5	168	0	0	0	0	0	112.2	G302 Y376	G302-G304 CarbonylContact C-O 3.58Å; G302-G304 PolarHBondContact N-O 2.63Å; G302-G304 PolarHBondContact O-N 3.04Å; G304-Y376 CarbonylContact C-O 3.43Å; G304-Y376 WeakPolarHBondContact CA-O 3.35Å
305	M	92.1	Very high	90.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.4	178	-48.6	166	63.8	0	0	109.8	L299 T300 L301 F375 Y376 H378 A379 I475 C478 T479 M482	L299-M305 HydrophobicContact CD1-CB 4.1Å; L299-M305 HydrophobicContact CD1-CE 4.44Å; L299-M305 HydrophobicContact CD2-CE 4.02Å; T300-M305 WeakPolarHBondContact O-CA 3.37Å; L301-M305 HydrophobicContact CD2-CB 4.37Å; L301-M305 HydrophobicContact CD2-CE 4.18Å; L301-M305 HydrophobicContact CD2-CG 3.91Å; M305-F375 CarbonylContact O-C 3.56Å; M305-F375 WeakPolarHBondContact O-CA 3.38Å; M305-Y376 PolarHBondContact N-O 2.94Å; M305-Y376 PolarHBondContact O-N 3.06Å; M305-Y376 HydrophobicContact SD-CD1 3.93Å; M305-Y376 HydrophobicContact SD-CG 4.33Å; M305-H378 WeakPolarHBondContact CG-O 3.26Å; M305-H378 VanDerWaalsContact SD-O 3.4Å; M305-A379 HydrophobicContact CG-CB 3.62Å; M305-I475 HydrophobicContact CE-CG2 4.11Å; M305-I475 WeakPolarHBondContact CE-O 3.42Å; M305-I475 HydrophobicContact SD-CG2 3.97Å; M305-C478 HydrophobicContact CE-CB 4.48Å; M305-C478 HydrophobicContact SD-CB 4.11Å; M305-T479 WeakPolarHBondContact CE-OG1 3.28Å; M305-M482 HydrophobicContact CE-SD 4.47Å
306	F	91.8	Very high	90.5	Very high	85 Å²	85	27.7 Å²	27.7	37%	0.373	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109.2	179.5	-59.4	-95.8	0	0	0	109.7	L299 T300 G374 F375	L299-F306 CarbonylContact C-O 3.38Å; L299-F306 WeakPolarHBondContact CA-O 3.41Å; T300-F306 PolarHBondContact N-O 2.74Å; T300-F306 PolarHBondContact O-N 2.85Å; F306-G374 CarbonylContact C-O 3.45Å; F306-G374 WeakPolarHBondContact CA-O 3.42Å; F306-F375 AromaticContact CD1-CD2 3.5Å; F306-F375 HydrophobicContact CD1-CD2 3.5Å; F306-F375 VanDerWaalsContact CD1-CD2 3.5Å; F306-F375 HydrophobicContact CD1-CE2 4.13Å; F306-F375 HydrophobicContact CD1-CG 4.38Å; F306-F375 HydrophobicContact CD2-CD2 4.44Å; F306-F375 AromaticContact CE1-CD2 3.18Å; F306-F375 HydrophobicContact CE1-CD2 3.18Å; F306-F375 AromaticContact CE1-CE2 3.4Å; F306-F375 HydrophobicContact CE1-CE2 3.4Å; F306-F375 VanDerWaalsContact CE1-CE2 3.4Å; F306-F375 HydrophobicContact CE1-CG 4.15Å; F306-F375 HydrophobicContact CE1-CZ 4.49Å; F306-F375 HydrophobicContact CE2-CD2 4.19Å; F306-F375 AromaticContact CE2-CE2 3.92Å; F306-F375 HydrophobicContact CE2-CE2 3.92Å; F306-F375 HydrophobicContact CG-CD2 4.14Å; F306-F375 AromaticContact CZ-CD2 3.58Å; F306-F375 HydrophobicContact CZ-CD2 3.58Å; F306-F375 AromaticContact CZ-CE2 3.28Å; F306-F375 HydrophobicContact CZ-CE2 3.28Å; F306-F375 HydrophobicContact CZ-CZ 4.35Å
307	L	93.3	Very high	89.8	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128	-179.3	-179.9	70.3	0	0	0	109.8	A297 K298 L299 E373 G374 M482 L483 Y486 L497	A297-L307 HydrophobicContact CB-CD1 4.18Å; K298-L307 CarbonylContact O-C 3.53Å; K298-L307 WeakPolarHBondContact O-CA 3.02Å; L299-L307 HydrophobicContact CB-CD1 4.4Å; L299-L307 HydrophobicContact CD1-CB 3.9Å; L299-L307 HydrophobicContact CD1-CD1 4.19Å; L307-E373 CarbonylContact O-C 3.48Å; L307-E373 VanDerWaalsContact O-CA 3.26Å; L307-E373 WeakPolarHBondContact O-CA 3.31Å; L307-G374 PolarHBondContact N-O 2.96Å; L307-G374 PolarHBondContact O-N 3.25Å; L307-M482 HydrophobicContact CB-CE 3.6Å; L307-M482 HydrophobicContact CD2-CB 4.44Å; L307-M482 HydrophobicContact CD2-CE 4.27Å; L307-L483 HydrophobicContact CD1-CD2 4.14Å; L307-L483 HydrophobicContact CD2-CD2 3.98Å; L307-Y486 HydrophobicContact CD2-CD2 3.48Å; L307-Y486 VanDerWaalsContact CD2-CD2 3.48Å; L307-Y486 HydrophobicContact CD2-CE2 3.66Å; L307-Y486 HydrophobicContact CD2-CG 4.37Å; L307-L497 HydrophobicContact CD1-CD1 4.05Å
308	N	93.1	Very high	88.8	Confident	5 Å²	5	27 Å²	27	3%	0.027	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.6	167.8	-70.8	-29.3	0	0	0	108.8	A282 T286 A297 K298 E373	A282-N308 PolarHBondContact O-ND2 3.14Å; T286-N308 HydrophobicContact CG2-CB 4.21Å; T286-N308 PolarHBondContact OG1-ND2 2.95Å; A297-N308 CarbonylContact C-O 3.57Å; A297-N308 WeakPolarHBondContact CA-O 3.44Å; K298-N308 PolarHBondContact N-O 3.44Å; K298-N308 PolarHBondContact O-N 3.29Å; N308-E373 VanDerWaalsContact OD1-CG 3.3Å; N308-E373 WeakPolarHBondContact OD1-CG 3.23Å; N308-E373 PolarHBondContact OD1-OE1 3.36Å
309	L	92.8	Very high	87	Confident	2 Å²	2	33 Å²	33	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.8	176.5	176.4	72.8	0	0	0	110	A297 L371 V372 I492 P494	A297-L309 HydrophobicContact CB-CD1 3.85Å; L309-L371 CarbonylContact O-C 3.52Å; L309-L371 WeakPolarHBondContact O-CA 3.35Å; L309-V372 HydrophobicContact CB-CB 4.15Å; L309-V372 PolarHBondContact N-O 3.39Å; L309-V372 PolarHBondContact O-N 2.95Å; L309-I492 HydrophobicContact CD1-CG2 3.76Å; L309-I492 HydrophobicContact CD2-CB 4.02Å; L309-I492 HydrophobicContact CD2-CD1 4.47Å; L309-I492 HydrophobicContact CD2-CG2 3.83Å; L309-I492 HydrophobicContact CG-CG2 4.06Å; L309-P494 HydrophobicContact CD1-CB 4.48Å; L309-P494 HydrophobicContact CD1-CG 4.45Å
310	I	92.8	Very high	85.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124.3	-177.5	-56.9	-177.6	0	0	0	110.3	C291 S293 F295 Q296 W328 T369 L371	C291-I310 HydrophobicContact CB-CD1 3.95Å; C291-I310 WeakPolarHBondContact O-CD1 3.4Å; C291-I310 WeakPolarHBondContact SG-CD1 3.46Å; S293-I310 WeakPolarHBondContact O-CB 3.44Å; S293-I310 WeakPolarHBondContact O-CG2 3.22Å; F295-I310 PolarHBondContact N-O 2.84Å; Q296-I310 HydrophobicContact CB-CD1 4.36Å; Q296-I310 PolarHBondContact O-N 3.35Å; I310-W328 HydrophobicContact CD1-CH2 4.45Å; I310-T369 HydrophobicContact CG2-CG2 3.76Å; I310-L371 HydrophobicContact CG1-CD2 3.75Å
311	S	90.9	Very high	83.4	Confident	12 Å²	12	36.8 Å²	36.8	8%	0.084	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	5.6	177.8	57.7	0	0	0	0	113.9	R314 Y370	S311-R314 PolarHBondContact OG-O 2.77Å; S311-Y370 PolarHBondContact N-O 2.92Å; S311-Y370 VanDerWaalsContact OG-CB 3.23Å; S311-Y370 WeakPolarHBondContact OG-CB 3.14Å; S311-Y370 PolarHBondContact OG-O 3Å
312	G	90.7	Very high	81.7	Confident	10 Å²	10	39.8 Å²	39.8	10%	0.103	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.1	-141.5	-177.1	0	0	0	0	0	111.3	R314 Y370	G312-R314 VanDerWaalsContact C-N 3.26Å; G312-R314 PolarHBondContact O-N 2.82Å; G312-Y370 PolarHBondContact O-N 3.41Å
313	S	89.7	Confident	80.9	Confident	102 Å²	102	41.1 Å²	41.1	71%	0.713	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	4.1	-178.5	56.9	0	0	0	0	114.9	L368 Y370	S313-L368 WeakPolarHBondContact CA-O 3.48Å; S313-Y370 WeakPolarHBondContact O-CE2 3.5Å
314	R	85.1	Confident	80.9	Confident	152 Å²	152	36.5 Å²	36.5	57%	0.574	19%	0.189	S	C	*	.	S	Bend	trans	-107.3	118.3	-176.2	-171.5	174.2	70.9	154	1.1	112.4	S311 G312 L316	S311-R314 PolarHBondContact OG-O 2.77Å; G312-R314 VanDerWaalsContact C-N 3.26Å; G312-R314 PolarHBondContact O-N 2.82Å; R314-L316 HydrophobicContact CG-CD2 4.23Å; R314-L316 PolarHBondContact O-N 2.88Å
315	A	87.2	Confident	81.2	Confident	10 Å²	10	36.9 Å²	36.9	8%	0.083	19%	0.191	C	C	.	.			trans	-62.8	120.5	168.6	0	0	0	0	0	111.9	F226 P324 Y370	F226-A315 HydrophobicContact CD1-CB 3.68Å; F226-A315 HydrophobicContact CE1-CB 3.51Å; F226-A315 HydrophobicContact CG-CB 4.41Å; F226-A315 HydrophobicContact CZ-CB 4.12Å; A315-P324 HydrophobicContact CB-CB 3.89Å; A315-P324 HydrophobicContact CB-CG 4.22Å; A315-Y370 HydrophobicContact CB-CD1 3.87Å; A315-Y370 HydrophobicContact CB-CE1 3.62Å; A315-Y370 HydrophobicContact CB-CE2 4.29Å; A315-Y370 HydrophobicContact CB-CG 4.3Å
316	L	84	Confident	81.3	Confident	15 Å²	15	36.9 Å²	36.9	8%	0.079	19%	0.191	C	C	.	.			trans	-106.8	128	177.1	-61.5	-175.9	0	0	0	111.8	R314 V372 T490 I492	R314-L316 HydrophobicContact CG-CD2 4.23Å; R314-L316 PolarHBondContact O-N 2.88Å; L316-V372 HydrophobicContact CB-CG2 4.11Å; L316-V372 HydrophobicContact CD1-CG2 4.18Å; L316-T490 HydrophobicContact CD1-CG2 3.78Å; L316-I492 HydrophobicContact CD1-CD1 3.74Å
317	A	78.3	Confident	81.4	Confident	6 Å²	6	32.8 Å²	32.8	5%	0.05	17%	0.173	C	C	.	.			trans	-93.9	123.8	174.4	0	0	0	0	0	111.7	S153 K156 A157 F226	S153-A317 WeakPolarHBondContact O-CB 3.3Å; K156-A317 HydrophobicContact CB-CB 3.99Å; K156-A317 HydrophobicContact CD-CB 4.11Å; K156-A317 WeakPolarHBondContact CE-O 3.48Å; K156-A317 HydrophobicContact CG-CB 4.07Å; K156-A317 PolarHBondContact NZ-O 3.42Å; A157-A317 HydrophobicContact CB-CB 3.77Å; F226-A317 HydrophobicContact CZ-CB 4.35Å
318	L	74.4	Confident	81.6	Confident	5 Å²	5	33 Å²	33	3%	0.026	17%	0.173	C	C	.	.			trans	-100.1	150.3	178	-62.4	-173.8	0	0	0	112.2	S160 N320 F322 V372 Y486 Q489 T490	S160-L318 WeakPolarHBondContact CB-O 3.49Å; L318-N320 VanDerWaalsContact C-N 3.3Å; L318-N320 PolarHBondContact O-N 3.13Å; L318-F322 HydrophobicContact CB-CB 4.21Å; L318-F322 HydrophobicContact CD1-CB 4.04Å; L318-V372 HydrophobicContact CD1-CG1 3.48Å; L318-V372 VanDerWaalsContact CD1-CG1 3.48Å; L318-V372 HydrophobicContact CD2-CG1 4.44Å; L318-V372 HydrophobicContact CG-CG1 4.29Å; L318-Y486 HydrophobicContact CD1-CD1 3.84Å; L318-Y486 HydrophobicContact CD1-CE1 3.42Å; L318-Y486 VanDerWaalsContact CD1-CE1 3.42Å; L318-Q489 HydrophobicContact CD2-CB 3.58Å; L318-Q489 HydrophobicContact CD2-CG 4.41Å; L318-T490 HydrophobicContact CD2-CG2 3.69Å
319	M	57.6	Low	81.7	Confident	128 Å²	128	32.7 Å²	32.7	63%	0.631	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-17	-176.3	-68.9	-169.1	70.8	0	0	113.6	G321	M319-G321 PolarHBondContact O-N 2.63Å
320	N	59.7	Low	81.8	Confident	98 Å²	98	33 Å²	33	52%	0.524	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	23.7	-174.6	-64.9	-7.6	0	0	0	113.6	L318 F322	L318-N320 VanDerWaalsContact C-N 3.3Å; L318-N320 PolarHBondContact O-N 3.13Å; N320-F322 VanDerWaalsContact C-N 3.29Å; N320-F322 HydrophobicContact CB-CD2 4.24Å; N320-F322 PolarHBondContact O-N 3.26Å
321	G	52.2	Low	81.6	Confident	16 Å²	16	33.6 Å²	33.6	17%	0.165	18%	0.18	C	C	.	.	S	Bend	trans	70.6	22.2	-179.8	0	0	0	0	0	114.5	S160 M319	S160-G321 WeakPolarHBondContact O-CA 3.35Å; M319-G321 PolarHBondContact O-N 2.63Å
322	F	56	Low	81.3	Confident	62 Å²	62	39.4 Å²	39.4	27%	0.272	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-86.9	125.4	166.9	-73.9	-81.8	0	0	0	109.5	L318 N320	L318-F322 HydrophobicContact CB-CB 4.21Å; L318-F322 HydrophobicContact CD1-CB 4.04Å; N320-F322 VanDerWaalsContact C-N 3.29Å; N320-F322 HydrophobicContact CB-CD2 4.24Å; N320-F322 PolarHBondContact O-N 3.26Å
323	Y	70	Confident	80.9	Confident	51 Å²	51	39.7 Å²	39.7	20%	0.2	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-83.4	146.3	176.6	-172.7	-108.4	0	0	0	110.1	Y161 S218 Y223 D224 S225 V325	Y161-Y323 HydrophobicContact CD2-CD2 4.39Å; Y161-Y323 HydrophobicContact CE2-CD2 4.33Å; S218-Y323 VanDerWaalsContact O-CD1 3.31Å; S218-Y323 WeakPolarHBondContact O-CD1 3.26Å; S218-Y323 WeakPolarHBondContact O-CE1 3.44Å; Y223-Y323 WeakPolarHBondContact O-CE1 3.32Å; Y223-Y323 PolarHBondContact O-OH 2.91Å; D224-Y323 VanDerWaalsContact C-OH 3.29Å; D224-Y323 WeakPolarHBondContact CA-OH 3.09Å; S225-Y323 PolarHBondContact N-OH 3.38Å; S225-Y323 WeakPolarHBondContact OG-CE1 3.33Å; Y323-V325 PolarHBondContact O-N 2.95Å; Y323-V325 VanDerWaalsContact O-N 3.11Å
324	P	82.6	Confident	80.6	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.019	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-60.9	118	176	-15.1	26	0	0	0	110.5	S225 F226 A315 Y370	S225-P324 VanDerWaalsContact CB-O 3.3Å; S225-P324 WeakPolarHBondContact CB-O 3.34Å; S225-P324 PolarHBondContact OG-O 3.36Å; F226-P324 HydrophobicContact CD2-CG 4.45Å; F226-P324 HydrophobicContact CE1-CG 4.39Å; F226-P324 HydrophobicContact CE2-CG 3.52Å; F226-P324 HydrophobicContact CZ-CG 3.48Å; F226-P324 VanDerWaalsContact CZ-CG 3.48Å; A315-P324 HydrophobicContact CB-CB 3.89Å; A315-P324 HydrophobicContact CB-CG 4.22Å; P324-Y370 HydrophobicContact CB-CD1 4.36Å
325	V	90.5	Very high	80.3	Confident	10 Å²	10	33.9 Å²	33.9	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.6	178.3	177.3	0	0	0	0	108.6	V219 Y323 Y370 L371 E373	V219-V325 HydrophobicContact CG1-CB 4.47Å; V219-V325 HydrophobicContact CG1-CG1 3.77Å; V219-V325 HydrophobicContact CG1-CG2 3.95Å; Y323-V325 PolarHBondContact O-N 2.95Å; Y323-V325 VanDerWaalsContact O-N 3.11Å; V325-Y370 CarbonylContact O-C 3.49Å; V325-Y370 WeakPolarHBondContact O-CA 3.2Å; V325-L371 HydrophobicContact CB-CB 4.39Å; V325-L371 HydrophobicContact CG1-CB 4.48Å; V325-L371 PolarHBondContact N-O 3.33Å; V325-L371 PolarHBondContact O-N 2.92Å; V325-E373 HydrophobicContact CB-CG 4.12Å; V325-E373 HydrophobicContact CG1-CG 4.31Å; V325-E373 HydrophobicContact CG2-CG 3.91Å
326	I	94.5	Very high	79.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.1	169.5	-61.6	172.1	0	0	0	107.3	V214 S215 S218 Y223 Q283 L368 Y370	V214-I326 HydrophobicContact CB-CB 4.36Å; V214-I326 HydrophobicContact CB-CD1 3.99Å; V214-I326 HydrophobicContact CB-CG2 3.88Å; V214-I326 HydrophobicContact CG1-CD1 4.47Å; V214-I326 HydrophobicContact CG2-CG2 3.63Å; S215-I326 WeakPolarHBondContact CA-O 3.17Å; S215-I326 WeakPolarHBondContact CB-O 3.23Å; S218-I326 PolarHBondContact OG-N 2.92Å; Y223-I326 HydrophobicContact CE1-CD1 3.85Å; Q283-I326 PolarHBondContact NE2-O 3.27Å; I326-L368 HydrophobicContact CD1-CD1 4.24Å; I326-L368 HydrophobicContact CG1-CD1 4.36Å; I326-L368 HydrophobicContact CG2-CD1 3.59Å; I326-Y370 HydrophobicContact CD1-CE1 4.23Å; I326-Y370 HydrophobicContact CG1-CD1 3.88Å; I326-Y370 HydrophobicContact CG1-CE1 3.56Å
327	G	94.9	Very high	78.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-64.9	171	0	0	0	0	0	109.8	S215 Q283 T369	S215-G327 WeakPolarHBondContact CB-O 3.31Å; Q283-G327 VanDerWaalsContact CB-O 3.32Å; Q283-G327 WeakPolarHBondContact CB-O 3.3Å; Q283-G327 VanDerWaalsContact CG-O 3.29Å; Q283-G327 WeakPolarHBondContact CG-O 3.35Å; G327-T369 WeakPolarHBondContact CA-O 3.44Å; G327-T369 PolarHBondContact N-O 3.02Å
328	W	96.3	Very high	77.6	Confident	5 Å²	5	44 Å²	44	2%	0.019	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	167.7	-179.1	45.3	79.3	0	0	0	110	S251 I279 Q283 T286 L287 C291 L292 I310 T369 F548	S251-W328 WeakPolarHBondContact OG-CA 3.48Å; I279-W328 HydrophobicContact CD1-CB 4.42Å; I279-W328 HydrophobicContact CD1-CE3 4.46Å; Q283-W328 HydrophobicContact CB-CE3 4.25Å; T286-W328 HydrophobicContact CG2-CH2 4.07Å; T286-W328 HydrophobicContact CG2-CZ3 4.21Å; L287-W328 HydrophobicContact CB-CE3 4.14Å; L287-W328 HydrophobicContact CB-CH2 4.27Å; L287-W328 HydrophobicContact CB-CZ3 3.93Å; L287-W328 HydrophobicContact CD1-CD2 3.97Å; L287-W328 HydrophobicContact CD1-CE3 4.09Å; L287-W328 HydrophobicContact CD1-CG 4.24Å; C291-W328 WeakPolarHBondContact O-CH2 3.2Å; L292-W328 HydrophobicContact CD2-CH2 4.17Å; L292-W328 HydrophobicContact CD2-CZ2 3.53Å; I310-W328 HydrophobicContact CD1-CH2 4.45Å; W328-T369 HydrophobicContact CZ2-CG2 3.89Å; W328-T369 PolarHBondContact N-O 3.38Å; W328-T369 PolarHBondContact NE1-OG1 3.01Å; W328-T369 PolarHBondContact O-N 3.41Å; W328-F548 HydrophobicContact CB-CE2 3.94Å; W328-F548 HydrophobicContact CB-CZ 4.42Å; W328-F548 AromaticContact CD1-CD2 3.4Å; W328-F548 VanDerWaalsContact CD1-CD2 3.4Å; W328-F548 AromaticContact CD1-CE2 3.32Å; W328-F548 HydrophobicContact CG-CD2 4.05Å; W328-F548 AromaticContact CG-CE2 3.75Å; W328-F548 HydrophobicContact CG-CE2 3.75Å; W328-F548 AromaticContact NE1-CD2 3.75Å
329	A	96	Very high	76	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.1	163.4	0	0	0	0	0	108.8	V214 P250 S251 S252 L365 L368	V214-A329 HydrophobicContact CG2-CB 3.94Å; P250-A329 HydrophobicContact CB-CB 4.1Å; P250-A329 WeakPolarHBondContact CB-O 3.35Å; S251-A329 PolarHBondContact N-O 3.48Å; S252-A329 PolarHBondContact N-O 3.2Å; A329-L365 HydrophobicContact CB-CB 4.03Å; A329-L365 HydrophobicContact CB-CD1 4.44Å; A329-L365 HydrophobicContact CB-CD2 4.17Å; A329-L365 HydrophobicContact CB-CG 4.45Å; A329-L368 HydrophobicContact CB-CD1 4.07Å
330	S	94.3	Very high	74.9	Confident	7 Å²	7	47.5 Å²	47.5	5%	0.049	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	148.2	170.5	-58.5	0	0	0	0	110.6	S252 D366 F548	S252-S330 VanDerWaalsContact OG-CA 3.25Å; S252-S330 WeakPolarHBondContact OG-CA 3.36Å; S252-S330 WeakPolarHBondContact OG-CB 3.37Å; S252-S330 PolarHBondContact OG-OG 2.93Å; S330-D366 PolarHBondContact N-O 2.79Å; S330-D366 WeakPolarHBondContact O-CB 3.49Å; S330-D366 PolarHBondContact O-N 3.05Å; S330-F548 VanDerWaalsContact OG-CE2 3.26Å; S330-F548 WeakPolarHBondContact OG-CE2 3.28Å; S330-F548 WeakPolarHBondContact OG-CZ 3.45Å
331	G	88.5	Confident	73.7	Confident	13 Å²	13	51.3 Å²	51.3	13%	0.134	27%	0.274	C	S	.	.			trans	-115	-173.8	166.5	0	0	0	0	0	110.8	S252 A333	S252-G331 PolarHBondContact O-N 2.92Å; G331-A333 PolarHBondContact O-N 2.84Å
332	Q	85.6	Confident	72.4	Confident	135 Å²	135	57.2 Å²	57.2	63%	0.631	30%	0.298	S	S	*	.			trans	-59.4	132.8	172.1	-172.8	173.8	2.7	0	0	110.5
333	A	81.1	Confident	71.1	Confident	15 Å²	15	61.9 Å²	61.9	12%	0.124	32%	0.324	C	S	.	.			trans	-66.2	142.7	179.6	0	0	0	0	0	111.4	G331 D336	G331-A333 PolarHBondContact O-N 2.84Å; A333-D336 HydrophobicContact CB-CB 4.32Å; A333-D336 PolarHBondContact O-N 2.72Å
334	Y	83.4	Confident	69	Low	39 Å²	39	66.1 Å²	66.1	15%	0.153	35%	0.35	C	S	.	.	S	Bend	trans	-61.6	-53.2	-176.3	175.1	-116.8	0	0	0	112.3	Y254 P274 D336 S337 V338 G541	Y254-Y334 HydrophobicContact CD1-CD2 4.1Å; Y254-Y334 HydrophobicContact CD1-CE2 4.18Å; Y254-Y334 AromaticContact CD2-CD2 3.28Å; Y254-Y334 HydrophobicContact CD2-CD2 3.28Å; Y254-Y334 AromaticContact CD2-CE2 3.44Å; Y254-Y334 HydrophobicContact CD2-CE2 3.44Å; Y254-Y334 VanDerWaalsContact CD2-CE2 3.44Å; Y254-Y334 AromaticContact CD2-CG 3.92Å; Y254-Y334 HydrophobicContact CD2-CG 3.92Å; Y254-Y334 HydrophobicContact CE1-CE2 4.17Å; Y254-Y334 AromaticContact CE2-CD2 3.83Å; Y254-Y334 HydrophobicContact CE2-CD2 3.83Å; Y254-Y334 AromaticContact CE2-CE2 3.43Å; Y254-Y334 HydrophobicContact CE2-CE2 3.43Å; Y254-Y334 VanDerWaalsContact CE2-CE2 3.43Å; Y254-Y334 AromaticContact CE2-CZ 3.92Å; Y254-Y334 AromaticContact CG-CD2 3.43Å; Y254-Y334 HydrophobicContact CG-CD2 3.43Å; Y254-Y334 VanDerWaalsContact CG-CD2 3.43Å; Y254-Y334 AromaticContact CG-CE2 3.82Å; Y254-Y334 HydrophobicContact CG-CE2 3.82Å; Y254-Y334 HydrophobicContact CG-CG 4.29Å; Y254-Y334 AromaticContact CZ-CE2 3.81Å; P274-Y334 HydrophobicContact CB-CD1 4.08Å; P274-Y334 HydrophobicContact CB-CE1 3.86Å; P274-Y334 HydrophobicContact CG-CD1 4.13Å; P274-Y334 HydrophobicContact CG-CE1 3.98Å; Y334-D336 PolarHBondContact O-N 3.47Å; Y334-S337 PolarHBondContact O-N 3.31Å; Y334-S337 PolarHBondContact O-OG 3.3Å; Y334-V338 HydrophobicContact CD2-CG2 4.48Å; Y334-V338 HydrophobicContact CE1-CG2 4.26Å; Y334-V338 HydrophobicContact CE2-CG2 4.05Å; Y334-V338 PolarHBondContact O-N 3.17Å; Y334-G541 WeakPolarHBondContact CB-O 3.39Å; Y334-G541 PolarHBondContact N-O 3.16Å
335	F	78.7	Confident	66.4	Low	94 Å²	94	70.4 Å²	70.4	41%	0.412	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.8	-176.5	-68.5	-52.6	0	0	0	113.8	S337 A542	F335-S337 PolarHBondContact O-N 3.49Å; F335-A542 WeakPolarHBondContact CB-O 3.27Å; F335-A542 HydrophobicContact CD2-CB 4.32Å; F335-A542 WeakPolarHBondContact CD2-O 3.45Å; F335-A542 HydrophobicContact CE2-CB 4.03Å; F335-A542 WeakPolarHBondContact CG-O 3.31Å; F335-A542 PolarHBondContact N-O 2.89Å; F335-A542 VanDerWaalsContact N-O 3.15Å
336	D	74.3	Confident	63.5	Low	126 Å²	126	76.3 Å²	76.3	67%	0.674	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.3	172.4	-64.2	-8.9	0	0	0	112.5	A333 Y334	A333-D336 HydrophobicContact CB-CB 4.32Å; A333-D336 PolarHBondContact O-N 2.72Å; Y334-D336 PolarHBondContact O-N 3.47Å
337	S	61.9	Low	60.4	Low	60 Å²	60	81.6 Å²	81.6	42%	0.42	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-8.7	-175.1	69.9	0	0	0	0	114.7	Y334 F335 P339	Y334-S337 PolarHBondContact O-N 3.31Å; Y334-S337 PolarHBondContact O-OG 3.3Å; F335-S337 PolarHBondContact O-N 3.49Å; S337-P339 WeakPolarHBondContact O-CD 3.39Å
338	V	57.3	Low	57.3	Low	58 Å²	58	87.6 Å²	87.6	35%	0.352	50%	0.495	S	S	.	.	S	Bend	trans	-81.8	117.2	175.6	-177.6	0	0	0	0	108.1	Y334 T340	Y334-V338 HydrophobicContact CD2-CG2 4.48Å; Y334-V338 HydrophobicContact CE1-CG2 4.26Å; Y334-V338 HydrophobicContact CE2-CG2 4.05Å; Y334-V338 PolarHBondContact O-N 3.17Å; V338-T340 PolarHBondContact O-N 3.17Å; V338-T340 VanDerWaalsContact O-N 3.07Å
339	P	40.8	Very low	54.1	Low	95 Å²	95	92.3 Å²	92.3	62%	0.617	53%	0.529	S	S	*	.			trans	-57.1	120.9	170.8	-19.6	31.5	0	0	0	108.3	S337 F341	S337-P339 WeakPolarHBondContact O-CD 3.39Å; P339-F341 VanDerWaalsContact C-N 3.29Å; P339-F341 PolarHBondContact O-N 3.23Å
340	T	35.2	Very low	50.9	Low	111 Å²	111	98.2 Å²	98.2	68%	0.681	57%	0.57	S	S	*	*			trans	-59.7	100.9	162.1	39.2	0	0	0	0	106.2	V338 E342	V338-T340 PolarHBondContact O-N 3.17Å; V338-T340 VanDerWaalsContact O-N 3.07Å; T340-E342 PolarHBondContact O-N 3.24Å
341	F	32.8	Very low	47.7	Very low	177 Å²	177	106.5 Å²	106.5	78%	0.776	61%	0.608	S	S	*	*			trans	-59.8	96.7	163.7	-101.2	-94.9	0	0	0	106.2	P339 I343	P339-F341 VanDerWaalsContact C-N 3.29Å; P339-F341 PolarHBondContact O-N 3.23Å; F341-I343 PolarHBondContact O-N 3.36Å
342	E	25.8	Very low	44.7	Very low	141 Å²	141	110.3 Å²	110.3	66%	0.659	63%	0.633	S	S	*	*			trans	-58.1	123.2	156.9	-72.1	-177.1	157.7	0	0	105.8	T340 D344	T340-E342 PolarHBondContact O-N 3.24Å; E342-D344 PolarHBondContact O-N 2.85Å
343	I	28.9	Very low	42.1	Very low	160 Å²	160	110.3 Å²	110.3	82%	0.821	64%	0.644	S	S	*	*			trans	-74.4	78.1	174.3	-56.2	171.6	0	0	0	105.6	F341 S345	F341-I343 PolarHBondContact O-N 3.36Å; I343-S345 PolarHBondContact O-N 3.29Å
344	D	26.5	Very low	39.4	Very low	140 Å²	140	114.6 Å²	114.6	75%	0.749	67%	0.673	S	S	*	*			trans	-77.5	103.7	154.9	-88.1	-9.6	0	0	0	106.1	E342 T346	E342-D344 PolarHBondContact O-N 2.85Å; D344-T346 PolarHBondContact O-N 2.99Å
345	S	28.1	Very low	36.8	Very low	93 Å²	93	117.5 Å²	117.5	65%	0.65	70%	0.699	S	S	*	*			trans	-50.8	137.8	163.6	46.9	0	0	0	0	108.4	I343	I343-S345 PolarHBondContact O-N 3.29Å
346	T	28.2	Very low	34.5	Very low	133 Å²	133	119.6 Å²	119.6	82%	0.816	72%	0.719	S	S	*	*			trans	89.8	83.4	177.8	77.5	0	0	0	0	116.4	D344	D344-T346 PolarHBondContact O-N 2.99Å
347	S	30.8	Very low	32.3	Very low	112 Å²	112	119.2 Å²	119.2	78%	0.783	72%	0.717	S	S	*	*				171.4	127.4	111.8	47.4	0	0	0	0	110.8	S349	S347-S349 PolarHBondContact O-N 2.92Å
348	S	29	Very low	30.7	Very low	126 Å²	126	120.8 Å²	120.8	88%	0.881	73%	0.728	S	S	*	*			trans	-65.6	111.7	171.7	50.5	0	0	0	0	110.7
349	S	30.2	Very low	29.6	Very low	104 Å²	104	123.9 Å²	123.9	73%	0.727	75%	0.747	S	S	*	*			trans	-147.2	116.6	151	53.2	0	0	0	0	109.3	S347 E351	S347-S349 PolarHBondContact O-N 2.92Å; S349-E351 PolarHBondContact O-N 2.82Å
350	S	27	Very low	29.3	Very low	123 Å²	123	124.5 Å²	124.5	86%	0.86	75%	0.753	S	S	*	*			trans	-78.6	92.3	-179.5	49.5	0	0	0	0	109.5
351	E	27.8	Very low	29.8	Very low	182 Å²	182	128.9 Å²	128.9	85%	0.85	76%	0.757	S	S	*	*			trans	-119	107.2	160.2	-73.9	-165.7	170.5	0	0	109.5	S349	S349-E351 PolarHBondContact O-N 2.82Å
352	S	25.5	Very low	31	Very low	93 Å²	93	125.9 Å²	125.9	65%	0.65	76%	0.759	S	S	*	*			trans	-63.1	128.1	171.2	51	0	0	0	0	110	S354	S352-S354 PolarHBondContact O-N 3Å
353	P	31.4	Very low	33.3	Very low	134 Å²	134	121.5 Å²	121.5	87%	0.87	74%	0.742	S	S	*	*			trans	-78	74.2	174	30.7	-31.4	0	0	0	109.7	S355	P353-S355 VanDerWaalsContact C-N 3.33Å; P353-S355 PolarHBondContact O-N 3.16Å
354	S	24.5	Very low	35.7	Very low	106 Å²	106	120.1 Å²	120.1	74%	0.741	73%	0.731	S	S	*	*			trans	-92.8	64.4	168.4	47.1	0	0	0	0	109.4	S352	S352-S354 PolarHBondContact O-N 3Å
355	S	28.8	Very low	38.5	Very low	99 Å²	99	114.4 Å²	114.4	69%	0.692	70%	0.7	S	S	*	*			trans	-121	103	163.2	76.7	0	0	0	0	109.7	P353 L357	P353-S355 VanDerWaalsContact C-N 3.33Å; P353-S355 PolarHBondContact O-N 3.16Å; S355-L357 PolarHBondContact O-N 3.06Å
356	V	30.2	Very low	41.3	Very low	138 Å²	138	113.1 Å²	113.1	84%	0.836	69%	0.686	S	S	*	*			trans	-55.5	108.8	160.5	177.6	0	0	0	0	105.8	S358	V356-S358 PolarHBondContact O-N 2.81Å
357	L	28.9	Very low	44.2	Very low	119 Å²	119	111.5 Å²	111.5	62%	0.623	67%	0.673	S	S	*	*			trans	-57.7	107.2	176.1	-159.3	80	0	0	0	107.6	S355 T359	S355-L357 PolarHBondContact O-N 3.06Å; L357-T359 PolarHBondContact O-N 3.41Å
358	S	27.2	Very low	47.2	Very low	93 Å²	93	107.3 Å²	107.3	65%	0.65	64%	0.641	S	S	*	*			trans	-51.2	129.2	-175.1	175.9	0	0	0	0	111.9	V356 S360	V356-S358 PolarHBondContact O-N 2.81Å; S358-S360 PolarHBondContact O-N 3.45Å
359	T	35	Very low	50.4	Low	122 Å²	122	102 Å²	102	75%	0.748	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	33.4	-169.9	47	0	0	0	0	115.4	L357	L357-T359 PolarHBondContact O-N 3.41Å
360	S	32.9	Very low	53.4	Low	108 Å²	108	97.5 Å²	97.5	76%	0.755	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.3	4.8	-177.9	-153.9	0	0	0	0	115.9	S358 S362	S358-S360 PolarHBondContact O-N 3.45Å; S360-S362 PolarHBondContact O-N 3.17Å
361	R	45.8	Very low	56.5	Low	203 Å²	203	91.8 Å²	91.8	77%	0.766	53%	0.531	S	S	*	.	S	Bend	trans	-73	121.9	164.9	-77.2	-175.8	-169.8	172.5	4.7	108.6	V363	R361-V363 PolarHBondContact O-N 3.16Å
362	S	58	Low	59.5	Low	115 Å²	115	83.3 Å²	83.3	80%	0.804	49%	0.491	S	S	*	.			trans	-60.9	100.1	168.9	-177.3	0	0	0	0	107.8	S360 H364	S360-S362 PolarHBondContact O-N 3.17Å; S362-H364 PolarHBondContact O-N 2.9Å
363	V	75	Confident	62.4	Low	49 Å²	49	80.3 Å²	80.3	30%	0.297	47%	0.467	S	S	.	.			trans	-64.4	130.9	175.7	179.9	0	0	0	0	108.2	Y249 P250 Y253 R361	Y249-V363 HydrophobicContact CD1-CB 4.43Å; Y249-V363 HydrophobicContact CD1-CG2 3.84Å; Y249-V363 HydrophobicContact CE1-CG2 3.77Å; P250-V363 HydrophobicContact CG-CG1 4.12Å; Y253-V363 HydrophobicContact CE2-CG1 4.3Å; R361-V363 PolarHBondContact O-N 3.16Å
364	H	80.1	Confident	65.1	Low	130 Å²	130	74.2 Å²	74.2	60%	0.602	43%	0.428	S	S	*	.			trans	-68.4	137.2	176.5	-167.1	-97.6	0	0	0	109.5	S362 D366	S362-H364 PolarHBondContact O-N 2.9Å; H364-D366 IonicContact CE1-OD1 2.95Å; H364-D366 PolarHBondContact CE1-OD1 2.96Å; H364-D366 IonicContact ND1-OD1 2.79Å; H364-D366 PolarHBondContact ND1-OD1 3.01Å; H364-D366 IonicContact ND1-OD2 3.9Å
365	L	85.2	Confident	68	Low	20 Å²	20	73.9 Å²	73.9	11%	0.105	41%	0.414	C	S	.	.			trans	-105.8	100	176	-61.2	-171	0	0	0	108.5	V214 R228 P250 A329 L368	V214-L365 HydrophobicContact CG1-CD1 3.83Å; V214-L365 HydrophobicContact CG1-CD2 4.14Å; R228-L365 HydrophobicContact CG-CD1 4.38Å; P250-L365 HydrophobicContact CB-CD2 4.19Å; P250-L365 HydrophobicContact CG-CD2 3.6Å; A329-L365 HydrophobicContact CB-CB 4.03Å; A329-L365 HydrophobicContact CB-CD1 4.44Å; A329-L365 HydrophobicContact CB-CD2 4.17Å; A329-L365 HydrophobicContact CB-CG 4.45Å; L365-L368 HydrophobicContact CB-CB 4.45Å; L365-L368 HydrophobicContact CD1-CD1 4.04Å; L365-L368 HydrophobicContact CD1-CD2 4.32Å
366	D	86.6	Confident	70.7	Confident	66 Å²	66	70.5 Å²	70.5	35%	0.353	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	152.1	172.7	-63.6	-47.8	0	0	0	110.6	S330 H364 L368	S330-D366 PolarHBondContact N-O 2.79Å; S330-D366 WeakPolarHBondContact O-CB 3.49Å; S330-D366 PolarHBondContact O-N 3.05Å; H364-D366 IonicContact CE1-OD1 2.95Å; H364-D366 PolarHBondContact CE1-OD1 2.96Å; H364-D366 IonicContact ND1-OD1 2.79Å; H364-D366 PolarHBondContact ND1-OD1 3.01Å; H364-D366 IonicContact ND1-OD2 3.9Å; D366-L368 PolarHBondContact O-N 3.04Å
367	N	89.5	Confident	73	Confident	100 Å²	100	66.4 Å²	66.4	54%	0.535	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.4	31	175.4	-59.1	-42.5	0	0	0	114.5	T369	N367-T369 PolarHBondContact O-N 3.37Å; N367-T369 PolarHBondContact O-OG1 2.68Å
368	L	93.4	Very high	75.5	Confident	23 Å²	23	61.4 Å²	61.4	12%	0.12	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	117.1	-179.1	177.6	63.1	0	0	0	110.1	S313 I326 A329 L365 D366 Y370	S313-L368 WeakPolarHBondContact CA-O 3.48Å; I326-L368 HydrophobicContact CD1-CD1 4.24Å; I326-L368 HydrophobicContact CG1-CD1 4.36Å; I326-L368 HydrophobicContact CG2-CD1 3.59Å; A329-L368 HydrophobicContact CB-CD1 4.07Å; L365-L368 HydrophobicContact CB-CB 4.45Å; L365-L368 HydrophobicContact CD1-CD1 4.04Å; L365-L368 HydrophobicContact CD1-CD2 4.32Å; D366-L368 PolarHBondContact O-N 3.04Å; L368-Y370 HydrophobicContact CD1-CE2 4.47Å; L368-Y370 HydrophobicContact CD2-CE2 3.65Å; L368-Y370 HydrophobicContact CG-CD2 4.37Å; L368-Y370 HydrophobicContact CG-CE2 3.76Å
369	T	94.8	Very high	78.4	Confident	15 Å²	15	57 Å²	57	9%	0.092	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.6	-175.3	-60.2	0	0	0	0	109.8	I310 G327 W328 N367	I310-T369 HydrophobicContact CG2-CG2 3.76Å; G327-T369 WeakPolarHBondContact CA-O 3.44Å; G327-T369 PolarHBondContact N-O 3.02Å; W328-T369 HydrophobicContact CZ2-CG2 3.89Å; W328-T369 PolarHBondContact N-O 3.38Å; W328-T369 PolarHBondContact NE1-OG1 3.01Å; W328-T369 PolarHBondContact O-N 3.41Å; N367-T369 PolarHBondContact O-N 3.37Å; N367-T369 PolarHBondContact O-OG1 2.68Å
370	Y	93.8	Very high	80.8	Confident	10 Å²	10	51.3 Å²	51.3	4%	0.039	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140.6	177.6	-71.4	-88.9	0	0	0	111.8	S225 S311 G312 S313 A315 P324 V325 I326 L368	S225-Y370 PolarHBondContact O-OH 2.48Å; S311-Y370 PolarHBondContact N-O 2.92Å; S311-Y370 VanDerWaalsContact OG-CB 3.23Å; S311-Y370 WeakPolarHBondContact OG-CB 3.14Å; S311-Y370 PolarHBondContact OG-O 3Å; G312-Y370 PolarHBondContact O-N 3.41Å; S313-Y370 WeakPolarHBondContact O-CE2 3.5Å; A315-Y370 HydrophobicContact CB-CD1 3.87Å; A315-Y370 HydrophobicContact CB-CE1 3.62Å; A315-Y370 HydrophobicContact CB-CE2 4.29Å; A315-Y370 HydrophobicContact CB-CG 4.3Å; P324-Y370 HydrophobicContact CB-CD1 4.36Å; V325-Y370 CarbonylContact O-C 3.49Å; V325-Y370 WeakPolarHBondContact O-CA 3.2Å; I326-Y370 HydrophobicContact CD1-CE1 4.23Å; I326-Y370 HydrophobicContact CG1-CD1 3.88Å; I326-Y370 HydrophobicContact CG1-CE1 3.56Å; L368-Y370 HydrophobicContact CD1-CE2 4.47Å; L368-Y370 HydrophobicContact CD2-CE2 3.65Å; L368-Y370 HydrophobicContact CG-CD2 4.37Å; L368-Y370 HydrophobicContact CG-CE2 3.76Å
371	L	92.6	Very high	83.4	Confident	2 Å²	2	48 Å²	48	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145	174.2	-57.7	-179.3	0	0	0	110.8	Q283 L309 I310 V325 E373	Q283-L371 HydrophobicContact CG-CD1 3.73Å; L309-L371 CarbonylContact O-C 3.52Å; L309-L371 WeakPolarHBondContact O-CA 3.35Å; I310-L371 HydrophobicContact CG1-CD2 3.75Å; V325-L371 HydrophobicContact CB-CB 4.39Å; V325-L371 HydrophobicContact CG1-CB 4.48Å; V325-L371 PolarHBondContact N-O 3.33Å; V325-L371 PolarHBondContact O-N 2.92Å; L371-E373 HydrophobicContact CB-CG 4.41Å
372	V	89.5	Confident	85.5	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.03	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.7	164.9	171.4	0	0	0	0	106.9	L309 L316 L318 Y486 T490	L309-V372 HydrophobicContact CB-CB 4.15Å; L309-V372 PolarHBondContact N-O 3.39Å; L309-V372 PolarHBondContact O-N 2.95Å; L316-V372 HydrophobicContact CB-CG2 4.11Å; L316-V372 HydrophobicContact CD1-CG2 4.18Å; L318-V372 HydrophobicContact CD1-CG1 3.48Å; L318-V372 VanDerWaalsContact CD1-CG1 3.48Å; L318-V372 HydrophobicContact CD2-CG1 4.44Å; L318-V372 HydrophobicContact CG-CG1 4.29Å; V372-Y486 HydrophobicContact CG1-CD1 3.38Å; V372-Y486 HydrophobicContact CG1-CE1 3.44Å; V372-Y486 VanDerWaalsContact CG1-CE1 3.44Å; V372-Y486 HydrophobicContact CG1-CG 4.49Å; V372-T490 HydrophobicContact CG1-CG2 4.45Å; V372-T490 HydrophobicContact CG2-CG2 4.3Å
373	E	88.4	Confident	87.1	Confident	30 Å²	30	33.1 Å²	33.1	14%	0.14	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	148.7	-178.2	-55.6	-161.4	155.3	0	0	112	R98 L307 N308 V325 L371 Y486	R98-E373 IonicContact CZ-OE1 3.23Å; R98-E373 VanDerWaalsContact CZ-OE1 3.31Å; R98-E373 IonicContact CZ-OE2 3.53Å; R98-E373 IonicContact NH1-OE1 2.67Å; R98-E373 PolarHBondContact NH1-OE1 3.33Å; R98-E373 IonicContact NH1-OE2 2.98Å; R98-E373 PolarHBondContact NH1-OE2 3.28Å; R98-E373 IonicContact NH2-OE1 2.91Å; R98-E373 PolarHBondContact NH2-OE1 2.99Å; R98-E373 IonicContact NH2-OE2 3.53Å; R98-E373 PolarHBondContact NH2-OE2 3.44Å; L307-E373 CarbonylContact O-C 3.48Å; L307-E373 VanDerWaalsContact O-CA 3.26Å; L307-E373 WeakPolarHBondContact O-CA 3.31Å; N308-E373 VanDerWaalsContact OD1-CG 3.3Å; N308-E373 WeakPolarHBondContact OD1-CG 3.23Å; N308-E373 PolarHBondContact OD1-OE1 3.36Å; V325-E373 HydrophobicContact CB-CG 4.12Å; V325-E373 HydrophobicContact CG1-CG 4.31Å; V325-E373 HydrophobicContact CG2-CG 3.91Å; L371-E373 HydrophobicContact CB-CG 4.41Å; E373-Y486 PolarHBondContact O-OH 3.1Å
374	G	86.3	Confident	87.8	Confident	5 Å²	5	34.8 Å²	34.8	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.8	175.2	0	0	0	0	0	112.4	F306 L307 Y486	F306-G374 CarbonylContact C-O 3.45Å; F306-G374 WeakPolarHBondContact CA-O 3.42Å; L307-G374 PolarHBondContact N-O 2.96Å; L307-G374 PolarHBondContact O-N 3.25Å; G374-Y486 WeakPolarHBondContact CA-OH 3.35Å
375	F	85.6	Confident	88.1	Confident	99 Å²	99	30.4 Å²	30.4	43%	0.434	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.5	-179.9	174.4	-115.5	0	0	0	110.1	M305 F306 P377	M305-F375 CarbonylContact O-C 3.56Å; M305-F375 WeakPolarHBondContact O-CA 3.38Å; F306-F375 AromaticContact CD1-CD2 3.5Å; F306-F375 HydrophobicContact CD1-CD2 3.5Å; F306-F375 VanDerWaalsContact CD1-CD2 3.5Å; F306-F375 HydrophobicContact CD1-CE2 4.13Å; F306-F375 HydrophobicContact CD1-CG 4.38Å; F306-F375 HydrophobicContact CD2-CD2 4.44Å; F306-F375 AromaticContact CE1-CD2 3.18Å; F306-F375 HydrophobicContact CE1-CD2 3.18Å; F306-F375 AromaticContact CE1-CE2 3.4Å; F306-F375 HydrophobicContact CE1-CE2 3.4Å; F306-F375 VanDerWaalsContact CE1-CE2 3.4Å; F306-F375 HydrophobicContact CE1-CG 4.15Å; F306-F375 HydrophobicContact CE1-CZ 4.49Å; F306-F375 HydrophobicContact CE2-CD2 4.19Å; F306-F375 AromaticContact CE2-CE2 3.92Å; F306-F375 HydrophobicContact CE2-CE2 3.92Å; F306-F375 HydrophobicContact CG-CD2 4.14Å; F306-F375 AromaticContact CZ-CD2 3.58Å; F306-F375 HydrophobicContact CZ-CD2 3.58Å; F306-F375 AromaticContact CZ-CE2 3.28Å; F306-F375 HydrophobicContact CZ-CE2 3.28Å; F306-F375 HydrophobicContact CZ-CZ 4.35Å; F375-P377 HydrophobicContact CE1-CB 3.83Å; F375-P377 HydrophobicContact CE1-CG 4.46Å; F375-P377 VanDerWaalsContact CZ-CA 3.41Å; F375-P377 HydrophobicContact CZ-CB 3.78Å
376	Y	85.5	Confident	88.4	Confident	28 Å²	28	29.4 Å²	29.4	11%	0.11	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.2	165.8	-159.2	-101.9	0	0	0	108.7	G304 M305 H378 P423 C478 M482	G304-Y376 CarbonylContact C-O 3.43Å; G304-Y376 WeakPolarHBondContact CA-O 3.35Å; M305-Y376 PolarHBondContact N-O 2.94Å; M305-Y376 PolarHBondContact O-N 3.06Å; M305-Y376 HydrophobicContact SD-CD1 3.93Å; M305-Y376 HydrophobicContact SD-CG 4.33Å; Y376-H378 HydrophobicContact CD1-CB 4.11Å; Y376-H378 HydrophobicContact CE1-CB 4Å; Y376-H378 PolarHBondContact O-N 3.32Å; Y376-P423 HydrophobicContact CE1-CB 4.46Å; Y376-P423 VanDerWaalsContact OH-CB 3.27Å; Y376-P423 WeakPolarHBondContact OH-CB 3.3Å; Y376-P423 WeakPolarHBondContact OH-CG 3.49Å; Y376-C478 HydrophobicContact CD1-CB 3.95Å; Y376-C478 HydrophobicContact CE1-CB 3.76Å; Y376-C478 WeakPolarHBondContact CE1-SG 3.38Å; Y376-C478 HydrophobicContact CE2-CB 4.42Å; Y376-C478 HydrophobicContact CG-CB 4.35Å; Y376-C478 PolarHBondContact OH-SG 2.71Å; Y376-M482 HydrophobicContact CG-SD 4.5Å
377	P	78	Confident	88.5	Confident	53 Å²	53	31 Å²	31	34%	0.344	16%	0.157	S	C	.	.	S	Bend	trans	-71.1	-4.7	-169.5	24.8	-31.9	0	0	0	115.4	F375	F375-P377 HydrophobicContact CE1-CB 3.83Å; F375-P377 HydrophobicContact CE1-CG 4.46Å; F375-P377 VanDerWaalsContact CZ-CA 3.41Å; F375-P377 HydrophobicContact CZ-CB 3.78Å
378	H	81.7	Confident	88.3	Confident	13 Å²	13	29.8 Å²	29.8	6%	0.06	16%	0.156	C	C	.	.			trans	-124.9	114.6	-170.2	-56.1	-48.4	0	0	0	112.3	M305 Y376 T381 L382 D450	M305-H378 WeakPolarHBondContact CG-O 3.26Å; M305-H378 VanDerWaalsContact SD-O 3.4Å; Y376-H378 HydrophobicContact CD1-CB 4.11Å; Y376-H378 HydrophobicContact CE1-CB 4Å; Y376-H378 PolarHBondContact O-N 3.32Å; H378-T381 PolarHBondContact ND1-OG1 3.38Å; H378-L382 HydrophobicContact CB-CD1 3.96Å; H378-L382 HydrophobicContact CB-CD2 4.31Å; H378-L382 HydrophobicContact CB-CG 3.95Å; H378-D450 VanDerWaalsContact CE1-CB 3.46Å; H378-D450 WeakPolarHBondContact CE1-CB 3.33Å; H378-D450 IonicContact CE1-OD2 2.88Å; H378-D450 PolarHBondContact CE1-OD2 3.27Å; H378-D450 WeakPolarHBondContact NE2-CB 3.42Å; H378-D450 IonicContact NE2-OD2 3.68Å
379	A	88.1	Confident	87.9	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-146.6	-81.4	160	0	0	0	0	0	108.4	G302 T303 M305 T381 L382 I383 I475 V503	G302-A379 WeakPolarHBondContact O-CB 3.36Å; T303-A379 PolarHBondContact O-N 2.7Å; M305-A379 HydrophobicContact CG-CB 3.62Å; A379-T381 VanDerWaalsContact C-N 3.26Å; A379-T381 PolarHBondContact O-N 3.44Å; A379-L382 WeakPolarHBondContact O-CB 3.12Å; A379-L382 PolarHBondContact O-N 2.9Å; A379-I383 PolarHBondContact O-N 3.33Å; A379-I475 HydrophobicContact CB-CG2 4.46Å; A379-V503 HydrophobicContact CB-CG2 4.45Å
380	G	86.8	Confident	87.5	Confident	4 Å²	4	38 Å²	38	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-36	177.4	0	0	0	0	0	112.6	G302 T303 L382 I383 D384	G302-G380 WeakPolarHBondContact O-CA 3.23Å; G302-G380 PolarHBondContact O-N 3.4Å; T303-G380 PolarHBondContact O-N 2.84Å; G380-L382 PolarHBondContact O-N 3.14Å; G380-L382 VanDerWaalsContact O-N 3.17Å; G380-I383 WeakPolarHBondContact O-CB 3.35Å; G380-I383 PolarHBondContact O-N 2.97Å; G380-D384 PolarHBondContact O-N 2.98Å
381	T	86.6	Confident	87.2	Confident	39 Å²	39	38.1 Å²	38.1	24%	0.239	20%	0.198	C	C	.	.	H	α-helix	trans	-57.3	-33.2	175.6	58.7	0	0	0	0	113.4	T303 H378 A379 W385	T303-T381 HydrophobicContact CG2-CG2 3.35Å; T303-T381 PolarHBondContact O-N 2.94Å; T303-T381 VanDerWaalsContact O-N 3.16Å; H378-T381 PolarHBondContact ND1-OG1 3.38Å; A379-T381 VanDerWaalsContact C-N 3.26Å; A379-T381 PolarHBondContact O-N 3.44Å; T381-W385 VanDerWaalsContact O-CB 3.23Å; T381-W385 WeakPolarHBondContact O-CB 3.5Å; T381-W385 PolarHBondContact O-N 3.01Å
382	L	90.1	Very high	87.1	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-73.7	-37.5	177.4	-61.8	178	0	0	0	111	H378 A379 G380 W385 L386 Y421 P449 F471 I475	H378-L382 HydrophobicContact CB-CD1 3.96Å; H378-L382 HydrophobicContact CB-CD2 4.31Å; H378-L382 HydrophobicContact CB-CG 3.95Å; A379-L382 WeakPolarHBondContact O-CB 3.12Å; A379-L382 PolarHBondContact O-N 2.9Å; G380-L382 PolarHBondContact O-N 3.14Å; G380-L382 VanDerWaalsContact O-N 3.17Å; L382-W385 PolarHBondContact O-N 2.87Å; L382-L386 WeakPolarHBondContact O-CG 3.16Å; L382-L386 PolarHBondContact O-N 3.14Å; L382-Y421 HydrophobicContact CD1-CD1 4.45Å; L382-Y421 HydrophobicContact CD1-CE1 3.9Å; L382-Y421 HydrophobicContact CD2-CE1 3.65Å; L382-Y421 WeakPolarHBondContact CD2-OH 3.32Å; L382-Y421 HydrophobicContact CG-CE1 4.45Å; L382-P449 HydrophobicContact CD2-CG 3.85Å; L382-F471 HydrophobicContact CB-CD1 4.37Å; L382-F471 HydrophobicContact CD2-CD1 4.14Å; L382-F471 HydrophobicContact CD2-CE1 4.34Å; L382-I475 HydrophobicContact CD1-CG1 4.15Å
383	I	91.9	Very high	87.1	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-45.5	177.7	-57.6	-169.8	0	0	0	110.4	A379 G380 W385 L386 K387 F392 Y395 L398 I472 I475 V503	A379-I383 PolarHBondContact O-N 3.33Å; G380-I383 WeakPolarHBondContact O-CB 3.35Å; G380-I383 PolarHBondContact O-N 2.97Å; I383-W385 VanDerWaalsContact C-N 3.29Å; I383-W385 PolarHBondContact O-N 2.82Å; I383-L386 PolarHBondContact O-N 3.31Å; I383-K387 PolarHBondContact O-N 2.74Å; I383-F392 HydrophobicContact CG2-CE1 4.39Å; I383-F392 HydrophobicContact CG2-CE2 4.47Å; I383-F392 HydrophobicContact CG2-CZ 3.61Å; I383-F392 WeakPolarHBondContact O-CZ 3.34Å; I383-Y395 HydrophobicContact CG2-CD1 4.39Å; I383-Y395 HydrophobicContact CG2-CE1 3.7Å; I383-L398 HydrophobicContact CG2-CD2 3.91Å; I383-I472 HydrophobicContact CD1-CD1 3.98Å; I383-I472 HydrophobicContact CG1-CD1 3.65Å; I383-I475 HydrophobicContact CG1-CD1 4.47Å; I383-V503 HydrophobicContact CD1-CB 4.34Å; I383-V503 HydrophobicContact CD1-CG1 3.74Å; I383-V503 HydrophobicContact CD1-CG2 3.97Å
384	D	88.9	Confident	87.3	Confident	84 Å²	84	43.6 Å²	43.6	45%	0.449	24%	0.237	S	C	.	.	H	α-helix	trans	-61.9	-39	176	-67.3	-30.3	0	0	0	111.3	G380 K387 S388	G380-D384 PolarHBondContact O-N 2.98Å; D384-K387 WeakPolarHBondContact O-CB 3.43Å; D384-K387 PolarHBondContact O-N 3.11Å; D384-S388 PolarHBondContact O-N 3.27Å
385	W	87.7	Confident	87.5	Confident	37 Å²	37	48.8 Å²	48.8	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-45.9	175.4	177.9	80.2	0	0	0	112.5	T381 L382 I383 K387 S388 E389 F446 P449 F471	T381-W385 VanDerWaalsContact O-CB 3.23Å; T381-W385 WeakPolarHBondContact O-CB 3.5Å; T381-W385 PolarHBondContact O-N 3.01Å; L382-W385 PolarHBondContact O-N 2.87Å; I383-W385 VanDerWaalsContact C-N 3.29Å; I383-W385 PolarHBondContact O-N 2.82Å; W385-K387 PolarHBondContact O-N 2.88Å; W385-S388 WeakPolarHBondContact CA-OG 3.36Å; W385-S388 PolarHBondContact O-N 3.13Å; W385-S388 PolarHBondContact O-OG 3.32Å; W385-E389 HydrophobicContact CD2-CG 4.07Å; W385-E389 HydrophobicContact CE3-CG 4.41Å; W385-E389 HydrophobicContact CH2-CG 3.72Å; W385-E389 HydrophobicContact CZ2-CG 3.32Å; W385-E389 HydrophobicContact CZ3-CG 4.26Å; W385-E389 PolarHBondContact NE1-OE1 2.88Å; W385-E389 WeakPolarHBondContact O-CG 3.42Å; W385-E389 PolarHBondContact O-N 2.91Å; W385-F446 HydrophobicContact CH2-CD1 4.28Å; W385-F446 AromaticContact CH2-CE1 3.32Å; W385-F446 HydrophobicContact CH2-CE1 3.32Å; W385-F446 AromaticContact CH2-CZ 3.94Å; W385-F446 HydrophobicContact CH2-CZ 3.94Å; W385-F446 AromaticContact CZ2-CE1 3.28Å; W385-F446 HydrophobicContact CZ2-CE1 3.28Å; W385-F446 AromaticContact CZ2-CZ 3.51Å; W385-F446 HydrophobicContact CZ2-CZ 3.51Å; W385-P449 HydrophobicContact CB-CG 4.01Å; W385-P449 HydrophobicContact CD2-CG 4.3Å; W385-P449 HydrophobicContact CG-CB 4.25Å; W385-P449 HydrophobicContact CG-CG 3.82Å; W385-F471 HydrophobicContact CD2-CE1 4.48Å; W385-F471 HydrophobicContact CE3-CD1 4.07Å; W385-F471 AromaticContact CE3-CE1 3.53Å; W385-F471 HydrophobicContact CE3-CE1 3.53Å; W385-F471 AromaticContact CE3-CZ 3.83Å; W385-F471 HydrophobicContact CE3-CZ 3.83Å; W385-F471 HydrophobicContact CH2-CE1 4.24Å; W385-F471 HydrophobicContact CH2-CE2 4.21Å; W385-F471 AromaticContact CH2-CZ 3.67Å; W385-F471 HydrophobicContact CH2-CZ 3.67Å; W385-F471 HydrophobicContact CZ3-CD1 4.06Å; W385-F471 HydrophobicContact CZ3-CD2 4.32Å; W385-F471 AromaticContact CZ3-CE1 3.39Å; W385-F471 HydrophobicContact CZ3-CE1 3.39Å; W385-F471 AromaticContact CZ3-CE2 3.67Å; W385-F471 HydrophobicContact CZ3-CE2 3.67Å; W385-F471 HydrophobicContact CZ3-CG 4.49Å; W385-F471 AromaticContact CZ3-CZ 3.15Å; W385-F471 HydrophobicContact CZ3-CZ 3.15Å
386	L	90.1	Very high	87.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-36.8	174.1	-75.3	170.7	0	0	0	111.7	L382 I383 E389 I391 F392 V467 F471 I472	L382-L386 WeakPolarHBondContact O-CG 3.16Å; L382-L386 PolarHBondContact O-N 3.14Å; I383-L386 PolarHBondContact O-N 3.31Å; L386-E389 PolarHBondContact O-N 2.87Å; L386-I391 HydrophobicContact CB-CB 4.37Å; L386-I391 HydrophobicContact CD2-CB 4.38Å; L386-I391 HydrophobicContact CD2-CG1 3.95Å; L386-I391 HydrophobicContact CD2-CG2 4.42Å; L386-I391 VanDerWaalsContact O-CB 3.3Å; L386-I391 WeakPolarHBondContact O-CB 3.02Å; L386-I391 WeakPolarHBondContact O-CG1 3.43Å; L386-I391 PolarHBondContact O-N 3.06Å; L386-I391 VanDerWaalsContact O-N 3.08Å; L386-F392 HydrophobicContact CB-CD1 4.22Å; L386-F392 HydrophobicContact CB-CE1 3.56Å; L386-F392 HydrophobicContact CB-CZ 4.49Å; L386-F392 HydrophobicContact CD1-CE1 4.38Å; L386-V467 HydrophobicContact CD2-CG1 3.77Å; L386-F471 HydrophobicContact CD1-CB 3.79Å; L386-F471 HydrophobicContact CD1-CG 4.41Å; L386-F471 HydrophobicContact CD2-CB 4.19Å; L386-F471 HydrophobicContact CD2-CD1 4.5Å; L386-F471 HydrophobicContact CD2-CD2 4.1Å; L386-F471 HydrophobicContact CD2-CG 4.03Å; L386-F471 HydrophobicContact CG-CB 4.24Å; L386-F471 HydrophobicContact CG-CG 4.33Å; L386-I472 HydrophobicContact CD1-CD1 4.03Å; L386-I472 HydrophobicContact CD1-CG1 4.31Å
387	K	89.7	Confident	88.2	Confident	98 Å²	98	49.6 Å²	49.6	43%	0.426	27%	0.271	S	S	.	.	H	α-helix	trans	-66.4	-42.7	174.5	-174	175.5	177.7	172.4	0	111.9	I383 D384 W385 E389 N390 F392 S393	I383-K387 PolarHBondContact O-N 2.74Å; D384-K387 WeakPolarHBondContact O-CB 3.43Å; D384-K387 PolarHBondContact O-N 3.11Å; W385-K387 PolarHBondContact O-N 2.88Å; K387-E389 PolarHBondContact O-N 2.92Å; K387-N390 PolarHBondContact O-N 3.33Å; K387-F392 HydrophobicContact CB-CE1 4.38Å; K387-F392 HydrophobicContact CB-CE2 4.01Å; K387-F392 HydrophobicContact CB-CZ 3.83Å; K387-F392 HydrophobicContact CD-CE2 4.39Å; K387-F392 HydrophobicContact CG-CE2 4.3Å; K387-S393 WeakPolarHBondContact CE-O 3.42Å; K387-S393 PolarHBondContact NZ-O 2.92Å
388	S	85.6	Confident	89	Confident	76 Å²	76	47.3 Å²	47.3	53%	0.531	26%	0.255	S	S	.	.	H	α-helix	trans	-65.2	-28.5	176.4	62.6	0	0	0	0	113.2	D384 W385 N390	D384-S388 PolarHBondContact O-N 3.27Å; W385-S388 WeakPolarHBondContact CA-OG 3.36Å; W385-S388 PolarHBondContact O-N 3.13Å; W385-S388 PolarHBondContact O-OG 3.32Å; S388-N390 PolarHBondContact O-N 2.86Å
389	E	84.7	Confident	89.7	Confident	91 Å²	91	48.3 Å²	48.3	43%	0.425	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	9	173	-63.1	-57.7	143.8	0	0	113.7	W385 L386 K387 I391	W385-E389 HydrophobicContact CD2-CG 4.07Å; W385-E389 HydrophobicContact CE3-CG 4.41Å; W385-E389 HydrophobicContact CH2-CG 3.72Å; W385-E389 HydrophobicContact CZ2-CG 3.32Å; W385-E389 HydrophobicContact CZ3-CG 4.26Å; W385-E389 PolarHBondContact NE1-OE1 2.88Å; W385-E389 WeakPolarHBondContact O-CG 3.42Å; W385-E389 PolarHBondContact O-N 2.91Å; L386-E389 PolarHBondContact O-N 2.87Å; K387-E389 PolarHBondContact O-N 2.92Å; E389-I391 HydrophobicContact CB-CG1 4.11Å; E389-I391 PolarHBondContact O-N 3.46Å; E389-I391 VanDerWaalsContact O-N 3.17Å
390	N	86.7	Confident	90	Very high	118 Å²	118	54.5 Å²	54.5	63%	0.631	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	32.8	-178.9	-54.5	-68.5	0	0	0	113.5	K387 S388 F392 K464	K387-N390 PolarHBondContact O-N 3.33Å; S388-N390 PolarHBondContact O-N 2.86Å; N390-F392 VanDerWaalsContact C-N 3.33Å; N390-K464 PolarHBondContact O-NZ 2.83Å
391	I	86.8	Confident	90.3	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.067	29%	0.292	C	S	.	.	S	Bend	trans	-70	-37.3	171.6	-59.7	-61.1	0	0	0	109.9	L386 E389 K464 V467 A468	L386-I391 HydrophobicContact CB-CB 4.37Å; L386-I391 HydrophobicContact CD2-CB 4.38Å; L386-I391 HydrophobicContact CD2-CG1 3.95Å; L386-I391 HydrophobicContact CD2-CG2 4.42Å; L386-I391 VanDerWaalsContact O-CB 3.3Å; L386-I391 WeakPolarHBondContact O-CB 3.02Å; L386-I391 WeakPolarHBondContact O-CG1 3.43Å; L386-I391 PolarHBondContact O-N 3.06Å; L386-I391 VanDerWaalsContact O-N 3.08Å; E389-I391 HydrophobicContact CB-CG1 4.11Å; E389-I391 PolarHBondContact O-N 3.46Å; E389-I391 VanDerWaalsContact O-N 3.17Å; I391-K464 HydrophobicContact CD1-CB 4.5Å; I391-K464 HydrophobicContact CD1-CG 4.06Å; I391-K464 HydrophobicContact CG2-CB 4.48Å; I391-V467 HydrophobicContact CD1-CG1 4.13Å; I391-V467 HydrophobicContact CG1-CG1 4.36Å; I391-A468 HydrophobicContact CG2-CB 3.96Å
392	F	90.8	Very high	90.7	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.013	28%	0.28	C	S	.	.			trans	-152.5	162.9	173	67.6	-88.8	0	0	0	109.8	I383 L386 K387 N390 T394 E397 L398 I401	I383-F392 HydrophobicContact CG2-CE1 4.39Å; I383-F392 HydrophobicContact CG2-CE2 4.47Å; I383-F392 HydrophobicContact CG2-CZ 3.61Å; I383-F392 WeakPolarHBondContact O-CZ 3.34Å; L386-F392 HydrophobicContact CB-CD1 4.22Å; L386-F392 HydrophobicContact CB-CE1 3.56Å; L386-F392 HydrophobicContact CB-CZ 4.49Å; L386-F392 HydrophobicContact CD1-CE1 4.38Å; K387-F392 HydrophobicContact CB-CE1 4.38Å; K387-F392 HydrophobicContact CB-CE2 4.01Å; K387-F392 HydrophobicContact CB-CZ 3.83Å; K387-F392 HydrophobicContact CD-CE2 4.39Å; K387-F392 HydrophobicContact CG-CE2 4.3Å; N390-F392 VanDerWaalsContact C-N 3.33Å; F392-T394 WeakPolarHBondContact CD2-O 3.42Å; F392-E397 HydrophobicContact CB-CB 4.38Å; F392-E397 HydrophobicContact CB-CG 4.04Å; F392-L398 HydrophobicContact CB-CB 4.48Å; F392-L398 HydrophobicContact CD1-CB 4.05Å; F392-L398 HydrophobicContact CD1-CD1 3.79Å; F392-L398 HydrophobicContact CD1-CD2 4.44Å; F392-L398 HydrophobicContact CD1-CG 4.3Å; F392-L398 HydrophobicContact CD2-CB 3.89Å; F392-L398 HydrophobicContact CE1-CB 4.24Å; F392-L398 HydrophobicContact CE1-CD1 3.88Å; F392-L398 HydrophobicContact CE1-CD2 3.86Å; F392-L398 HydrophobicContact CE1-CG 4.2Å; F392-L398 HydrophobicContact CE2-CB 4.11Å; F392-L398 HydrophobicContact CE2-CD2 4.32Å; F392-L398 HydrophobicContact CG-CB 3.87Å; F392-L398 HydrophobicContact CG-CD1 4.43Å; F392-L398 HydrophobicContact CZ-CB 4.29Å; F392-L398 HydrophobicContact CZ-CD2 3.81Å; F392-L398 HydrophobicContact CZ-CG 4.46Å; F392-I401 HydrophobicContact CB-CD1 3.96Å
393	S	90.1	Very high	90.9	Very high	75 Å²	75	58 Å²	58	52%	0.524	30%	0.298	S	S	.	.	S	Bend	trans	-106.2	-35.1	178.9	-53.4	0	0	0	0	112.7	K387 E397	K387-S393 WeakPolarHBondContact CE-O 3.42Å; K387-S393 PolarHBondContact NZ-O 2.92Å; S393-E397 WeakPolarHBondContact CA-OE2 3.32Å; S393-E397 WeakPolarHBondContact CB-OE2 3.35Å; S393-E397 PolarHBondContact N-OE2 2.8Å
394	T	92	Very high	91	Very high	74 Å²	74	60 Å²	60	45%	0.454	31%	0.313	S	S	.	.	S	Bend	trans	-125.3	154.8	-177.4	72.1	0	0	0	0	112.8	F392 S396 E397 L398	F392-T394 WeakPolarHBondContact CD2-O 3.42Å; T394-S396 PolarHBondContact O-N 3.27Å; T394-E397 PolarHBondContact N-OE2 2.92Å; T394-E397 WeakPolarHBondContact O-CB 3.43Å; T394-E397 PolarHBondContact O-N 2.89Å; T394-E397 WeakPolarHBondContact OG1-CB 3.33Å; T394-E397 PolarHBondContact OG1-N 3.28Å; T394-L398 PolarHBondContact O-N 3.41Å
395	Y	90.3	Very high	91.1	Very high	115 Å²	115	56 Å²	56	45%	0.451	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-30.9	176	-76.5	-84.5	0	0	0	112.8	I383 L398 E399	I383-Y395 HydrophobicContact CG2-CD1 4.39Å; I383-Y395 HydrophobicContact CG2-CE1 3.7Å; Y395-L398 PolarHBondContact O-N 3.04Å; Y395-E399 PolarHBondContact O-N 2.96Å; Y395-E399 VanDerWaalsContact O-N 3.09Å
396	S	92.4	Very high	91.3	Very high	80 Å²	80	57.3 Å²	57.3	56%	0.559	30%	0.301	S	S	*	.	H	α-helix	trans	-65.8	-44.7	174.7	-56.7	0	0	0	0	111.5	T394 L398 E399 E400	T394-S396 PolarHBondContact O-N 3.27Å; S396-L398 VanDerWaalsContact C-N 3.29Å; S396-L398 PolarHBondContact O-N 2.9Å; S396-E399 WeakPolarHBondContact O-CB 3.46Å; S396-E399 PolarHBondContact O-N 2.93Å; S396-E399 VanDerWaalsContact O-N 3.15Å; S396-E400 WeakPolarHBondContact O-CG 3.35Å; S396-E400 PolarHBondContact O-N 3.11Å
397	E	94.3	Very high	91.2	Very high	64 Å²	64	65.5 Å²	65.5	30%	0.299	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-38.3	174.7	-177.3	-172.8	174.4	0	0	111.7	F392 S393 T394 E400 I401	F392-E397 HydrophobicContact CB-CB 4.38Å; F392-E397 HydrophobicContact CB-CG 4.04Å; S393-E397 WeakPolarHBondContact CA-OE2 3.32Å; S393-E397 WeakPolarHBondContact CB-OE2 3.35Å; S393-E397 PolarHBondContact N-OE2 2.8Å; T394-E397 PolarHBondContact N-OE2 2.92Å; T394-E397 WeakPolarHBondContact O-CB 3.43Å; T394-E397 PolarHBondContact O-N 2.89Å; T394-E397 WeakPolarHBondContact OG1-CB 3.33Å; T394-E397 PolarHBondContact OG1-N 3.28Å; E397-E400 PolarHBondContact O-N 2.92Å; E397-I401 HydrophobicContact CG-CD1 4.16Å; E397-I401 WeakPolarHBondContact O-CB 3.22Å; E397-I401 WeakPolarHBondContact O-CG1 3.25Å; E397-I401 PolarHBondContact O-N 2.61Å
398	L	94.5	Very high	91.3	Very high	5 Å²	5	66.3 Å²	66.3	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-45.4	173.2	177.3	61.3	0	0	0	111.9	I383 F392 T394 Y395 S396 I401 L402 A468 I472	I383-L398 HydrophobicContact CG2-CD2 3.91Å; F392-L398 HydrophobicContact CB-CB 4.48Å; F392-L398 HydrophobicContact CD1-CB 4.05Å; F392-L398 HydrophobicContact CD1-CD1 3.79Å; F392-L398 HydrophobicContact CD1-CD2 4.44Å; F392-L398 HydrophobicContact CD1-CG 4.3Å; F392-L398 HydrophobicContact CD2-CB 3.89Å; F392-L398 HydrophobicContact CE1-CB 4.24Å; F392-L398 HydrophobicContact CE1-CD1 3.88Å; F392-L398 HydrophobicContact CE1-CD2 3.86Å; F392-L398 HydrophobicContact CE1-CG 4.2Å; F392-L398 HydrophobicContact CE2-CB 4.11Å; F392-L398 HydrophobicContact CE2-CD2 4.32Å; F392-L398 HydrophobicContact CG-CB 3.87Å; F392-L398 HydrophobicContact CG-CD1 4.43Å; F392-L398 HydrophobicContact CZ-CB 4.29Å; F392-L398 HydrophobicContact CZ-CD2 3.81Å; F392-L398 HydrophobicContact CZ-CG 4.46Å; T394-L398 PolarHBondContact O-N 3.41Å; Y395-L398 PolarHBondContact O-N 3.04Å; S396-L398 VanDerWaalsContact C-N 3.29Å; S396-L398 PolarHBondContact O-N 2.9Å; L398-I401 PolarHBondContact O-N 3.38Å; L398-L402 HydrophobicContact CD1-CD1 4.11Å; L398-L402 HydrophobicContact CD1-CG 4.24Å; L398-L402 HydrophobicContact CG-CD1 4Å; L398-L402 WeakPolarHBondContact O-CD1 3.33Å; L398-L402 WeakPolarHBondContact O-CG 3.46Å; L398-L402 PolarHBondContact O-N 2.89Å; L398-A468 HydrophobicContact CD1-CB 4.2Å; L398-I472 HydrophobicContact CD1-CG1 4.28Å; L398-I472 HydrophobicContact CD2-CD1 4.08Å
399	E	94.8	Very high	91.5	Very high	34 Å²	34	64.1 Å²	64.1	16%	0.159	34%	0.337	C	S	.	.	H	α-helix	trans	-59.5	-45.3	174.6	-77.8	-78.1	128.1	0	0	111.3	Y395 S396 I401 L402 Y403 S506 N507 W508	Y395-E399 PolarHBondContact O-N 2.96Å; Y395-E399 VanDerWaalsContact O-N 3.09Å; S396-E399 WeakPolarHBondContact O-CB 3.46Å; S396-E399 PolarHBondContact O-N 2.93Å; S396-E399 VanDerWaalsContact O-N 3.15Å; E399-I401 PolarHBondContact O-N 3.33Å; E399-L402 WeakPolarHBondContact O-CB 3.27Å; E399-L402 PolarHBondContact O-N 3.21Å; E399-L402 VanDerWaalsContact O-N 3.1Å; E399-Y403 HydrophobicContact CB-CD2 4.44Å; E399-Y403 HydrophobicContact CB-CE2 4.29Å; E399-Y403 WeakPolarHBondContact O-CD2 3.26Å; E399-Y403 PolarHBondContact O-N 3.4Å; E399-Y403 WeakPolarHBondContact OE2-CE2 3.27Å; E399-Y403 PolarHBondContact OE2-OH 2.76Å; E399-S506 WeakPolarHBondContact OE1-CA 3.32Å; E399-S506 WeakPolarHBondContact OE1-CB 3.35Å; E399-S506 PolarHBondContact OE1-OG 3.05Å; E399-N507 PolarHBondContact OE1-N 3.46Å; E399-N507 PolarHBondContact OE2-N 3.3Å; E399-W508 PolarHBondContact OE1-N 3.03Å; E399-W508 PolarHBondContact OE2-N 3.26Å
400	E	94.7	Very high	91.7	Very high	129 Å²	129	60.4 Å²	60.4	60%	0.603	32%	0.32	S	S	*	.	H	α-helix	trans	-60.7	-43.9	178.3	-72.4	172.6	-167.6	0	0	112.4	S396 E397 L402 Y403 S404	S396-E400 WeakPolarHBondContact O-CG 3.35Å; S396-E400 PolarHBondContact O-N 3.11Å; E397-E400 PolarHBondContact O-N 2.92Å; E400-L402 VanDerWaalsContact C-N 3.27Å; E400-L402 PolarHBondContact O-N 2.98Å; E400-Y403 PolarHBondContact O-N 3.21Å; E400-S404 VanDerWaalsContact O-CB 3.28Å; E400-S404 WeakPolarHBondContact O-CB 3.48Å; E400-S404 PolarHBondContact O-N 2.68Å; E400-S404 PolarHBondContact O-OG 2.82Å
401	I	93.1	Very high	91.8	Very high	20 Å²	20	56 Å²	56	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-56.4	-44.7	172.8	-78.7	167.9	0	0	0	110.4	F392 E397 L398 E399 G405 L465 A468	F392-I401 HydrophobicContact CB-CD1 3.96Å; E397-I401 HydrophobicContact CG-CD1 4.16Å; E397-I401 WeakPolarHBondContact O-CB 3.22Å; E397-I401 WeakPolarHBondContact O-CG1 3.25Å; E397-I401 PolarHBondContact O-N 2.61Å; L398-I401 PolarHBondContact O-N 3.38Å; E399-I401 PolarHBondContact O-N 3.33Å; I401-G405 PolarHBondContact O-N 3.41Å; I401-G405 VanDerWaalsContact O-N 3.1Å; I401-L465 HydrophobicContact CB-CD2 4.01Å; I401-L465 HydrophobicContact CG1-CD2 3.95Å; I401-L465 HydrophobicContact CG2-CD2 3.64Å; I401-A468 HydrophobicContact CG2-CB 3.59Å
402	L	95.4	Very high	92	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69.1	-43.4	-178.6	-67.2	165.6	0	0	0	111.8	L398 E399 E400 G405 D406 R469 I472 W508	L398-L402 HydrophobicContact CD1-CD1 4.11Å; L398-L402 HydrophobicContact CD1-CG 4.24Å; L398-L402 HydrophobicContact CG-CD1 4Å; L398-L402 WeakPolarHBondContact O-CD1 3.33Å; L398-L402 WeakPolarHBondContact O-CG 3.46Å; L398-L402 PolarHBondContact O-N 2.89Å; E399-L402 WeakPolarHBondContact O-CB 3.27Å; E399-L402 PolarHBondContact O-N 3.21Å; E399-L402 VanDerWaalsContact O-N 3.1Å; E400-L402 VanDerWaalsContact C-N 3.27Å; E400-L402 PolarHBondContact O-N 2.98Å; L402-G405 PolarHBondContact O-N 3.44Å; L402-D406 PolarHBondContact O-N 2.84Å; L402-R469 VanDerWaalsContact CA-NH1 3.28Å; L402-R469 VanDerWaalsContact CD2-NH1 3.29Å; L402-R469 PolarHBondContact O-NH1 3.26Å; L402-R469 PolarHBondContact O-NH2 3.18Å; L402-I472 HydrophobicContact CD1-CB 4.45Å; L402-I472 HydrophobicContact CD1-CG1 4.24Å; L402-I472 HydrophobicContact CD1-CG2 4.1Å; L402-I472 HydrophobicContact CD2-CB 4.1Å; L402-I472 HydrophobicContact CD2-CG1 4.14Å; L402-I472 HydrophobicContact CD2-CG2 4.47Å; L402-W508 HydrophobicContact CB-CB 4.24Å; L402-W508 HydrophobicContact CB-CD2 3.67Å; L402-W508 HydrophobicContact CB-CE3 4.2Å; L402-W508 HydrophobicContact CB-CG 3.63Å; L402-W508 HydrophobicContact CD1-CB 4.27Å; L402-W508 HydrophobicContact CD1-CD2 3.97Å; L402-W508 HydrophobicContact CD1-CE3 3.69Å; L402-W508 HydrophobicContact CD1-CG 4.19Å; L402-W508 HydrophobicContact CD1-CZ3 4.43Å; L402-W508 HydrophobicContact CD2-CD2 4.18Å; L402-W508 HydrophobicContact CD2-CE3 3.92Å; L402-W508 HydrophobicContact CD2-CH2 4.22Å; L402-W508 HydrophobicContact CD2-CZ2 4.47Å; L402-W508 HydrophobicContact CD2-CZ3 3.93Å; L402-W508 HydrophobicContact CG-CD2 4.15Å; L402-W508 HydrophobicContact CG-CE3 4.15Å; L402-W508 HydrophobicContact CG-CG 4.45Å
403	Y	95.2	Very high	91.9	Very high	97 Å²	97	65.3 Å²	65.3	38%	0.38	34%	0.339	S	S	.	.	H	α-helix	trans	-68.6	-39.1	176.3	-74.1	-68.6	0	0	0	112.6	E399 E400 G405 D406 Q407 W508	E399-Y403 HydrophobicContact CB-CD2 4.44Å; E399-Y403 HydrophobicContact CB-CE2 4.29Å; E399-Y403 WeakPolarHBondContact O-CD2 3.26Å; E399-Y403 PolarHBondContact O-N 3.4Å; E399-Y403 WeakPolarHBondContact OE2-CE2 3.27Å; E399-Y403 PolarHBondContact OE2-OH 2.76Å; E400-Y403 PolarHBondContact O-N 3.21Å; Y403-G405 PolarHBondContact O-N 3.01Å; Y403-D406 WeakPolarHBondContact O-CB 3.29Å; Y403-D406 PolarHBondContact O-N 3.15Å; Y403-Q407 PolarHBondContact O-N 3.37Å; Y403-W508 AromaticContact CD1-CD1 3.94Å; Y403-W508 HydrophobicContact CE1-CB 4.48Å; Y403-W508 AromaticContact CE1-CD1 3.94Å; Y403-W508 HydrophobicContact CE2-CB 4.26Å; Y403-W508 PolarHBondContact OH-N 3.1Å
404	S	93.1	Very high	91.9	Very high	46 Å²	46	61.7 Å²	61.7	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-37.2	175	-59	0	0	0	0	111.2	E400 D406 Q407 L408	E400-S404 VanDerWaalsContact O-CB 3.28Å; E400-S404 WeakPolarHBondContact O-CB 3.48Å; E400-S404 PolarHBondContact O-N 2.68Å; E400-S404 PolarHBondContact O-OG 2.82Å; S404-D406 VanDerWaalsContact C-N 3.28Å; S404-D406 PolarHBondContact O-N 2.59Å; S404-Q407 PolarHBondContact O-N 3.03Å; S404-L408 WeakPolarHBondContact O-CG 3.33Å; S404-L408 PolarHBondContact O-N 3.35Å; S404-L408 VanDerWaalsContact O-N 3.16Å
405	G	91.3	Very high	91.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-28.9	174.4	0	0	0	0	0	114.6	I401 L402 Y403 G409 L410	I401-G405 PolarHBondContact O-N 3.41Å; I401-G405 VanDerWaalsContact O-N 3.1Å; L402-G405 PolarHBondContact O-N 3.44Å; Y403-G405 PolarHBondContact O-N 3.01Å; G405-G409 PolarHBondContact O-N 2.08Å; G405-L410 VanDerWaalsContact CA-CD1 3.43Å; G405-L410 VanDerWaalsContact O-CB 3.3Å; G405-L410 WeakPolarHBondContact O-CB 3.31Å; G405-L410 VanDerWaalsContact O-CG 3.29Å; G405-L410 WeakPolarHBondContact O-CG 3.28Å; G405-L410 PolarHBondContact O-N 3.09Å
406	D	91.2	Very high	91.7	Very high	66 Å²	66	62.5 Å²	62.5	35%	0.353	31%	0.31	S	S	.	.	H	α-helix	trans	-74.3	-41.7	177.9	-67	-31.4	0	0	0	109.7	L402 Y403 S404 L408 G409 R469 W508 R512	L402-D406 PolarHBondContact O-N 2.84Å; Y403-D406 WeakPolarHBondContact O-CB 3.29Å; Y403-D406 PolarHBondContact O-N 3.15Å; S404-D406 VanDerWaalsContact C-N 3.28Å; S404-D406 PolarHBondContact O-N 2.59Å; D406-L408 PolarHBondContact O-N 2.92Å; D406-G409 PolarHBondContact O-N 3.07Å; D406-R469 VanDerWaalsContact CG-NH2 3.27Å; D406-R469 IonicContact OD1-CZ 2.64Å; D406-R469 IonicContact OD1-NE 3.86Å; D406-R469 IonicContact OD1-NH2 2.76Å; D406-R469 PolarHBondContact OD1-NH2 2.97Å; D406-R469 IonicContact OD2-NH2 2.72Å; D406-W508 PolarHBondContact OD2-NE1 3.38Å; D406-R512 IonicContact OD1-NH2 2.88Å; D406-R512 PolarHBondContact OD1-NH2 3.14Å
407	Q	89.4	Confident	91.5	Very high	171 Å²	171	62.2 Å²	62.2	80%	0.799	30%	0.3	S	S	*	.	H	α-helix	trans	-60.6	-31.2	175.3	-63.4	176.2	0.3	0	0	112.6	Y403 S404 G409	Y403-Q407 PolarHBondContact O-N 3.37Å; S404-Q407 PolarHBondContact O-N 3.03Å; Q407-G409 VanDerWaalsContact C-N 3.35Å
408	L	90.6	Very high	91.2	Very high	116 Å²	116	62.8 Å²	62.8	61%	0.607	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	3.2	178.2	-66.2	174	0	0	0	114.1	S404 D406 L410 L465	S404-L408 WeakPolarHBondContact O-CG 3.33Å; S404-L408 PolarHBondContact O-N 3.35Å; S404-L408 VanDerWaalsContact O-N 3.16Å; D406-L408 PolarHBondContact O-N 2.92Å; L408-L410 VanDerWaalsContact C-N 3.29Å; L408-L410 HydrophobicContact CB-CD2 4.3Å; L408-L410 HydrophobicContact CB-CG 4.22Å; L408-L410 PolarHBondContact O-N 2.96Å; L408-L465 HydrophobicContact CD1-CD1 3.65Å
409	G	89.4	Confident	91	Very high	29 Å²	29	62.6 Å²	62.6	30%	0.299	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	32.3	-179.4	0	0	0	0	0	113.5	G405 D406 Q407 D411 E412 K413	G405-G409 PolarHBondContact O-N 2.08Å; D406-G409 PolarHBondContact O-N 3.07Å; Q407-G409 VanDerWaalsContact C-N 3.35Å; G409-D411 PolarHBondContact O-N 2.93Å; G409-D411 VanDerWaalsContact O-N 3.16Å; G409-E412 PolarHBondContact O-N 2.82Å; G409-E412 VanDerWaalsContact O-N 3.11Å; G409-K413 PolarHBondContact O-N 3.49Å
410	L	89.7	Confident	90.9	Very high	14 Å²	14	61 Å²	61	7%	0.073	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-26.3	-174.5	-69.9	-171.3	0	0	0	113.4	G405 L408 K413 A414 L465	G405-L410 VanDerWaalsContact CA-CD1 3.43Å; G405-L410 VanDerWaalsContact O-CB 3.3Å; G405-L410 WeakPolarHBondContact O-CB 3.31Å; G405-L410 VanDerWaalsContact O-CG 3.29Å; G405-L410 WeakPolarHBondContact O-CG 3.28Å; G405-L410 PolarHBondContact O-N 3.09Å; L408-L410 VanDerWaalsContact C-N 3.29Å; L408-L410 HydrophobicContact CB-CD2 4.3Å; L408-L410 HydrophobicContact CB-CG 4.22Å; L408-L410 PolarHBondContact O-N 2.96Å; L410-K413 HydrophobicContact CD2-CD 4.3Å; L410-K413 PolarHBondContact O-N 3.45Å; L410-A414 WeakPolarHBondContact O-CB 3.39Å; L410-A414 PolarHBondContact O-N 3.05Å; L410-L465 HydrophobicContact CD1-CB 3.71Å
411	D	89.7	Confident	90.7	Very high	24 Å²	24	55 Å²	55	13%	0.128	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-42.5	175.7	-75.6	-13	0	0	0	111.8	G409 T415 R469 R512	G409-D411 PolarHBondContact O-N 2.93Å; G409-D411 VanDerWaalsContact O-N 3.16Å; D411-T415 VanDerWaalsContact O-CB 3.26Å; D411-T415 WeakPolarHBondContact O-CB 3.49Å; D411-T415 PolarHBondContact O-N 3.2Å; D411-T415 PolarHBondContact O-OG1 3.14Å; D411-R469 IonicContact OD1-NE 3.94Å; D411-R512 IonicContact OD1-CZ 3.87Å; D411-R512 IonicContact OD1-NH1 3.08Å; D411-R512 PolarHBondContact OD1-NH1 3.07Å; D411-R512 IonicContact OD1-NH2 3.96Å; D411-R512 PolarHBondContact OD1-NH2 3.39Å; D411-R512 IonicContact OD2-CZ 3.41Å; D411-R512 IonicContact OD2-NH1 2.66Å; D411-R512 PolarHBondContact OD2-NH1 3.23Å; D411-R512 IonicContact OD2-NH2 3.84Å; D411-R512 PolarHBondContact OD2-NH2 2.93Å
412	E	89.2	Confident	90.5	Very high	145 Å²	145	54 Å²	54	68%	0.678	26%	0.263	S	S	*	.	H	α-helix	trans	-66.7	-46.4	178.2	-63.8	-173.8	169.9	0	0	110.8	G409 T415 R416	G409-E412 PolarHBondContact O-N 2.82Å; G409-E412 VanDerWaalsContact O-N 3.11Å; E412-T415 PolarHBondContact O-N 2.74Å; E412-R416 WeakPolarHBondContact O-CB 3.38Å; E412-R416 PolarHBondContact O-N 3.39Å
413	K	88.9	Confident	90.2	Very high	67 Å²	67	54 Å²	54	29%	0.291	26%	0.263	S	S	.	.	H	α-helix	trans	-57.4	-53.9	175.6	-176.1	-174.4	175.6	-172.6	0	111.2	G409 L410 T415 R416 E417	G409-K413 PolarHBondContact O-N 3.49Å; L410-K413 HydrophobicContact CD2-CD 4.3Å; L410-K413 PolarHBondContact O-N 3.45Å; K413-T415 PolarHBondContact O-N 2.96Å; K413-R416 PolarHBondContact O-N 3.33Å; K413-E417 WeakPolarHBondContact CG-OE1 3.4Å; K413-E417 WeakPolarHBondContact O-CB 3.35Å; K413-E417 PolarHBondContact O-N 2.94Å
414	A	90	Very high	89.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-31.1	179.9	0	0	0	0	0	112.1	L410 N418 I419 L466 R606	L410-A414 WeakPolarHBondContact O-CB 3.39Å; L410-A414 PolarHBondContact O-N 3.05Å; A414-N418 PolarHBondContact O-N 3.12Å; A414-I419 HydrophobicContact CB-CB 4.21Å; A414-I419 PolarHBondContact O-N 2.91Å; A414-L466 HydrophobicContact CB-CD1 3.8Å; A414-R606 PolarHBondContact O-NH1 3.4Å
415	T	90.4	Very high	88.2	Confident	24 Å²	24	52.9 Å²	52.9	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-74.1	-47.5	178.4	-56.4	0	0	0	0	111	D411 E412 K413 E417 N418 R606 I609	D411-T415 VanDerWaalsContact O-CB 3.26Å; D411-T415 WeakPolarHBondContact O-CB 3.49Å; D411-T415 PolarHBondContact O-N 3.2Å; D411-T415 PolarHBondContact O-OG1 3.14Å; E412-T415 PolarHBondContact O-N 2.74Å; K413-T415 PolarHBondContact O-N 2.96Å; T415-E417 PolarHBondContact O-N 3.46Å; T415-N418 PolarHBondContact O-N 3.01Å; T415-R606 HydrophobicContact CG2-CG 4.18Å; T415-R606 WeakPolarHBondContact OG1-CD 3.32Å; T415-R606 WeakPolarHBondContact OG1-CG 3.35Å; T415-R606 PolarHBondContact OG1-NH1 3.27Å; T415-I609 HydrophobicContact CG2-CD1 4.2Å
416	R	88.6	Confident	86.8	Confident	181 Å²	181	60.3 Å²	60.3	68%	0.683	29%	0.288	S	S	*	.	H	α-helix	trans	-59.5	-37.9	178.4	-177	-179.9	63.3	-143.2	-4.2	111.8	E412 K413	E412-R416 WeakPolarHBondContact O-CB 3.38Å; E412-R416 PolarHBondContact O-N 3.39Å; K413-R416 PolarHBondContact O-N 3.33Å
417	E	87.8	Confident	85.2	Confident	74 Å²	74	62.9 Å²	62.9	35%	0.346	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	4.3	-176.1	-67.7	163	-147.2	0	0	113	K413 T415 I419	K413-E417 WeakPolarHBondContact CG-OE1 3.4Å; K413-E417 WeakPolarHBondContact O-CB 3.35Å; K413-E417 PolarHBondContact O-N 2.94Å; T415-E417 PolarHBondContact O-N 3.46Å; E417-I419 VanDerWaalsContact C-N 3.33Å; E417-I419 HydrophobicContact CB-CD1 3.53Å; E417-I419 HydrophobicContact CB-CG1 3.59Å; E417-I419 PolarHBondContact O-N 2.9Å
418	N	88.3	Confident	83.7	Confident	77 Å²	77	55.3 Å²	55.3	41%	0.412	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	47.4	-177.9	-70.3	-50.6	0	0	0	113.7	A414 T415 F420	A414-N418 PolarHBondContact O-N 3.12Å; T415-N418 PolarHBondContact O-N 3.01Å; N418-F420 HydrophobicContact CB-CE2 4.33Å; N418-F420 WeakPolarHBondContact O-CD2 3.48Å
419	I	90.2	Very high	82	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.241	C	C	.	.			trans	-93.3	116.7	-175.4	-47.6	-176.8	0	0	0	109.8	A414 E417 I454 L456 L466 V470 R606	A414-I419 HydrophobicContact CB-CB 4.21Å; A414-I419 PolarHBondContact O-N 2.91Å; E417-I419 VanDerWaalsContact C-N 3.33Å; E417-I419 HydrophobicContact CB-CD1 3.53Å; E417-I419 HydrophobicContact CB-CG1 3.59Å; E417-I419 PolarHBondContact O-N 2.9Å; I419-I454 VanDerWaalsContact CA-O 3.31Å; I419-I454 WeakPolarHBondContact CA-O 3.48Å; I419-I454 WeakPolarHBondContact CG2-O 3.36Å; I419-L456 HydrophobicContact CD1-CD2 4.15Å; I419-L456 HydrophobicContact CG2-CD1 4.5Å; I419-L456 HydrophobicContact CG2-CD2 3.69Å; I419-L456 HydrophobicContact CG2-CG 3.64Å; I419-L466 HydrophobicContact CD1-CD2 3.61Å; I419-L466 HydrophobicContact CG2-CD1 4.43Å; I419-L466 HydrophobicContact CG2-CD2 4.24Å; I419-L466 HydrophobicContact CG2-CG 4.19Å; I419-V470 HydrophobicContact CG2-CG1 4.09Å; I419-V470 WeakPolarHBondContact O-CG1 3.35Å; I419-R606 PolarHBondContact O-NH2 3.4Å
420	F	91.7	Very high	80.5	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	145.7	-174.1	-64	-74.5	0	0	0	111.6	N418 I422 V453 I454 F477 R606 I609 W610 L613	N418-F420 HydrophobicContact CB-CE2 4.33Å; N418-F420 WeakPolarHBondContact O-CD2 3.48Å; F420-I422 HydrophobicContact CB-CD1 3.86Å; F420-I422 HydrophobicContact CB-CG1 4.47Å; F420-V453 CarbonylContact O-C 3.58Å; F420-V453 VanDerWaalsContact O-CA 3.31Å; F420-V453 WeakPolarHBondContact O-CA 3.34Å; F420-I454 HydrophobicContact CB-CD1 4.12Å; F420-I454 HydrophobicContact CB-CG1 3.87Å; F420-I454 HydrophobicContact CD2-CD1 4.06Å; F420-I454 HydrophobicContact CD2-CG1 4.4Å; F420-I454 PolarHBondContact N-O 3.07Å; F420-I454 WeakPolarHBondContact O-CG1 3.46Å; F420-I454 PolarHBondContact O-N 2.77Å; F420-F477 HydrophobicContact CD1-CE2 4.23Å; F420-F477 HydrophobicContact CE1-CE2 4.12Å; F420-R606 HydrophobicContact CE1-CB 4.34Å; F420-I609 HydrophobicContact CE2-CB 4.41Å; F420-I609 HydrophobicContact CE2-CG2 3.64Å; F420-I609 HydrophobicContact CZ-CB 4.13Å; F420-I609 HydrophobicContact CZ-CG2 3.86Å; F420-W610 HydrophobicContact CD1-CB 3.94Å; F420-W610 AromaticContact CD1-CD1 3.76Å; F420-W610 HydrophobicContact CD1-CG 4.26Å; F420-W610 HydrophobicContact CE1-CB 3.94Å; F420-L613 HydrophobicContact CD2-CD1 3.91Å; F420-L613 HydrophobicContact CE2-CD1 4.03Å
421	Y	91.5	Very high	79	Confident	1 Å²	1	56.5 Å²	56.5	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.6	156.8	177.4	-116.5	0	0	0	109.2	L382 P423 G451 V453 F471 S474 W610	L382-Y421 HydrophobicContact CD1-CD1 4.45Å; L382-Y421 HydrophobicContact CD1-CE1 3.9Å; L382-Y421 HydrophobicContact CD2-CE1 3.65Å; L382-Y421 WeakPolarHBondContact CD2-OH 3.32Å; L382-Y421 HydrophobicContact CG-CE1 4.45Å; Y421-P423 HydrophobicContact CD1-CG 4Å; Y421-P423 HydrophobicContact CE1-CB 3.94Å; Y421-P423 HydrophobicContact CE1-CG 3.76Å; Y421-P423 WeakPolarHBondContact O-CD 3.27Å; Y421-G451 PolarHBondContact OH-N 3.08Å; Y421-V453 HydrophobicContact CD2-CG2 3.95Å; Y421-F471 AromaticContact CD1-CD1 3.9Å; Y421-F471 HydrophobicContact CD1-CD1 3.9Å; Y421-F471 HydrophobicContact CD1-CE1 4.12Å; Y421-F471 HydrophobicContact CD1-CG 4.31Å; Y421-F471 HydrophobicContact CD2-CD1 4.17Å; Y421-F471 HydrophobicContact CD2-CD2 4.46Å; Y421-F471 AromaticContact CD2-CE1 3.64Å; Y421-F471 HydrophobicContact CD2-CE1 3.64Å; Y421-F471 HydrophobicContact CD2-CE2 4.01Å; Y421-F471 AromaticContact CD2-CZ 3.56Å; Y421-F471 HydrophobicContact CD2-CZ 3.56Å; Y421-F471 AromaticContact CE1-CD1 4Å; Y421-F471 HydrophobicContact CE1-CD1 4Å; Y421-F471 HydrophobicContact CE1-CE1 4Å; Y421-F471 HydrophobicContact CE2-CD1 4.27Å; Y421-F471 AromaticContact CE2-CE1 3.51Å; Y421-F471 HydrophobicContact CE2-CE1 3.51Å; Y421-F471 AromaticContact CE2-CZ 3.71Å; Y421-F471 HydrophobicContact CE2-CZ 3.71Å; Y421-F471 AromaticContact CG-CD1 3.99Å; Y421-F471 HydrophobicContact CG-CD1 3.99Å; Y421-F471 HydrophobicContact CG-CD2 4.28Å; Y421-F471 AromaticContact CG-CE1 3.95Å; Y421-F471 HydrophobicContact CG-CE1 3.95Å; Y421-F471 HydrophobicContact CG-CE2 4.28Å; Y421-F471 HydrophobicContact CG-CG 4.16Å; Y421-F471 HydrophobicContact CG-CZ 4.1Å; Y421-F471 AromaticContact CZ-CE1 3.69Å; Y421-S474 WeakPolarHBondContact CD1-OG 3.41Å; Y421-W610 PolarHBondContact O-NE1 3.44Å
422	I	89.9	Confident	77.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	102.1	178	-52.9	-59.7	0	0	0	107.8	F420 L424 G451 L452 I454 W610 L613 R614 Y617	F420-I422 HydrophobicContact CB-CD1 3.86Å; F420-I422 HydrophobicContact CB-CG1 4.47Å; I422-L424 HydrophobicContact CG2-CD2 3.87Å; I422-L424 HydrophobicContact CG2-CG 4.23Å; I422-L424 PolarHBondContact O-N 3.46Å; I422-G451 CarbonylContact O-C 3.52Å; I422-G451 WeakPolarHBondContact O-CA 3.29Å; I422-L452 HydrophobicContact CB-CD1 4.48Å; I422-L452 HydrophobicContact CB-CG 4.45Å; I422-L452 PolarHBondContact N-O 3.06Å; I422-L452 PolarHBondContact O-N 3.26Å; I422-I454 HydrophobicContact CD1-CD1 4.3Å; I422-I454 HydrophobicContact CG1-CD1 4.13Å; I422-I454 HydrophobicContact CG1-CG1 4.34Å; I422-W610 HydrophobicContact CD1-CG 4.33Å; I422-L613 HydrophobicContact CD1-CB 4.41Å; I422-R614 HydrophobicContact CG2-CB 3.95Å; I422-R614 HydrophobicContact CG2-CG 3.91Å; I422-Y617 HydrophobicContact CG2-CD2 4.31Å
423	P	87.4	Confident	75.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.8	174	0.3	14	0	0	0	109.9	Y376 Y421 W610 R614	Y376-P423 HydrophobicContact CE1-CB 4.46Å; Y376-P423 VanDerWaalsContact OH-CB 3.27Å; Y376-P423 WeakPolarHBondContact OH-CB 3.3Å; Y376-P423 WeakPolarHBondContact OH-CG 3.49Å; Y421-P423 HydrophobicContact CD1-CG 4Å; Y421-P423 HydrophobicContact CE1-CB 3.94Å; Y421-P423 HydrophobicContact CE1-CG 3.76Å; Y421-P423 WeakPolarHBondContact O-CD 3.27Å; P423-W610 HydrophobicContact CG-CZ2 4.35Å; P423-R614 PolarHBondContact O-NE 2.71Å
424	L	79.8	Confident	74.3	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.026	27%	0.268	C	S	.	.			trans	-123.8	161.4	-175.9	-64.5	177.3	0	0	0	110.2	I422 L429 D450 L452	I422-L424 HydrophobicContact CG2-CD2 3.87Å; I422-L424 HydrophobicContact CG2-CG 4.23Å; I422-L424 PolarHBondContact O-N 3.46Å; L424-L429 HydrophobicContact CD1-CD1 4.09Å; L424-D450 PolarHBondContact N-O 2.86Å; L424-L452 HydrophobicContact CD1-CD2 3.56Å; L424-L452 HydrophobicContact CD1-CG 4.23Å
425	L	67.5	Low	72.4	Confident	115 Å²	115	61 Å²	61	60%	0.602	30%	0.298	S	S	*	.			trans	-70.6	138.4	167.4	-68.1	170.4	0	0	0	108.5	N427 T428 L429	L425-N427 PolarHBondContact O-N 3.28Å; L425-N427 VanDerWaalsContact O-N 3.1Å; L425-T428 WeakPolarHBondContact O-CA 3.35Å; L425-T428 VanDerWaalsContact O-CB 3.25Å; L425-T428 WeakPolarHBondContact O-CB 3.42Å; L425-T428 PolarHBondContact O-N 2.76Å; L425-L429 PolarHBondContact O-N 3.5Å
426	R	61.9	Low	70.4	Confident	155 Å²	155	62.2 Å²	62.2	59%	0.585	30%	0.304	S	S	*	.	H	α-helix	trans	-47.1	-43.6	-179.2	-170.1	174.5	-66.9	-173.6	-2.8	113.9	T428 L429 I430 D450	R426-T428 VanDerWaalsContact C-N 3.3Å; R426-T428 PolarHBondContact O-N 2.79Å; R426-L429 WeakPolarHBondContact O-CB 3.28Å; R426-L429 PolarHBondContact O-N 2.98Å; R426-L429 VanDerWaalsContact O-N 3.12Å; R426-I430 HydrophobicContact CG-CD1 4.29Å; R426-I430 WeakPolarHBondContact O-CG1 3.5Å; R426-I430 PolarHBondContact O-N 3.37Å; R426-D450 IonicContact CZ-OD1 3.45Å; R426-D450 IonicContact NE-OD1 3.44Å; R426-D450 PolarHBondContact NE-OD1 2.64Å; R426-D450 IonicContact NH2-OD1 2.7Å; R426-D450 PolarHBondContact NH2-OD1 2.72Å; R426-D450 IonicContact NH2-OD2 2.71Å
427	N	58.3	Low	68.4	Low	121 Å²	121	59.4 Å²	59.4	65%	0.647	31%	0.307	S	S	*	.	H	α-helix	trans	-63.8	-34.7	177.3	-65.1	-2	0	0	0	112.9	L425 N431	L425-N427 PolarHBondContact O-N 3.28Å; L425-N427 VanDerWaalsContact O-N 3.1Å; N427-N431 VanDerWaalsContact O-CG 3.3Å; N427-N431 PolarHBondContact O-N 3.05Å
428	T	57.1	Low	66	Low	12 Å²	12	63 Å²	63	7%	0.074	33%	0.328	C	S	.	.	H	α-helix	trans	-70.3	-37.3	174.3	-52	0	0	0	0	110.7	L425 R426 N431 H432 Y617 P619	L425-T428 WeakPolarHBondContact O-CA 3.35Å; L425-T428 VanDerWaalsContact O-CB 3.25Å; L425-T428 WeakPolarHBondContact O-CB 3.42Å; L425-T428 PolarHBondContact O-N 2.76Å; R426-T428 VanDerWaalsContact C-N 3.3Å; R426-T428 PolarHBondContact O-N 2.79Å; T428-N431 PolarHBondContact O-N 3.12Å; T428-H432 PolarHBondContact O-CD2 3.43Å; T428-H432 VanDerWaalsContact O-CD2 3.26Å; T428-H432 PolarHBondContact O-N 3.3Å; T428-Y617 VanDerWaalsContact CG2-O 3.29Å; T428-Y617 WeakPolarHBondContact CG2-O 3.34Å; T428-P619 HydrophobicContact CG2-CG 4.32Å
429	L	55.7	Low	63.5	Low	9 Å²	9	66.6 Å²	66.6	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-46.7	175.8	-163.2	69.2	0	0	0	111.9	L424 L425 R426 N431 H432 Q433 Y447	L424-L429 HydrophobicContact CD1-CD1 4.09Å; L425-L429 PolarHBondContact O-N 3.5Å; R426-L429 WeakPolarHBondContact O-CB 3.28Å; R426-L429 PolarHBondContact O-N 2.98Å; R426-L429 VanDerWaalsContact O-N 3.12Å; L429-N431 VanDerWaalsContact C-N 3.29Å; L429-N431 PolarHBondContact O-N 3.04Å; L429-H432 PolarHBondContact O-N 3.21Å; L429-H432 VanDerWaalsContact O-N 3.16Å; L429-Q433 WeakPolarHBondContact O-CG 3.34Å; L429-Q433 PolarHBondContact O-N 3.04Å; L429-Y447 HydrophobicContact CD1-CD1 3.71Å; L429-Y447 HydrophobicContact CD1-CE1 4.01Å; L429-Y447 HydrophobicContact CD2-CD1 4.33Å; L429-Y447 HydrophobicContact CG-CD1 4.02Å; L429-Y447 HydrophobicContact CG-CE1 4.37Å
430	I	57.9	Low	60.9	Low	74 Å²	74	76.7 Å²	76.7	38%	0.379	39%	0.386	S	S	.	.	H	α-helix	trans	-59.2	-41.7	176.9	-66.3	166.4	0	0	0	110.6	R426 Q433 N434	R426-I430 HydrophobicContact CG-CD1 4.29Å; R426-I430 WeakPolarHBondContact O-CG1 3.5Å; R426-I430 PolarHBondContact O-N 3.37Å; I430-Q433 PolarHBondContact O-N 2.66Å; I430-N434 VanDerWaalsContact O-CG 3.28Å; I430-N434 PolarHBondContact O-N 3.12Å; I430-N434 PolarHBondContact O-ND2 3Å
431	N	57.1	Low	58.3	Low	100 Å²	100	81.5 Å²	81.5	54%	0.535	41%	0.411	S	S	.	.	H	α-helix	trans	-64.6	-40.7	176.8	-70.5	-7.7	0	0	0	112.2	N427 T428 L429 N434 T435	N427-N431 VanDerWaalsContact O-CG 3.3Å; N427-N431 PolarHBondContact O-N 3.05Å; T428-N431 PolarHBondContact O-N 3.12Å; L429-N431 VanDerWaalsContact C-N 3.29Å; L429-N431 PolarHBondContact O-N 3.04Å; N431-N434 PolarHBondContact O-N 3.4Å; N431-T435 WeakPolarHBondContact O-CB 3.35Å; N431-T435 PolarHBondContact O-N 3Å; N431-T435 PolarHBondContact O-OG1 3.03Å
432	H	56.8	Low	55.8	Low	46 Å²	46	89.3 Å²	89.3	21%	0.213	45%	0.453	C	S	.	.	H	α-helix	trans	-65.5	-43.1	173.5	-82.1	-66.6	0	0	0	111.6	T428 L429 N434 T435 L436 Y617	T428-H432 PolarHBondContact O-CD2 3.43Å; T428-H432 VanDerWaalsContact O-CD2 3.26Å; T428-H432 PolarHBondContact O-N 3.3Å; L429-H432 PolarHBondContact O-N 3.21Å; L429-H432 VanDerWaalsContact O-N 3.16Å; H432-N434 VanDerWaalsContact C-N 3.31Å; H432-N434 PolarHBondContact O-N 3.04Å; H432-T435 PolarHBondContact O-N 3.25Å; H432-L436 HydrophobicContact CB-CD1 4.17Å; H432-L436 VanDerWaalsContact O-CB 3.24Å; H432-L436 WeakPolarHBondContact O-CB 3.45Å; H432-L436 WeakPolarHBondContact O-CD1 3.4Å; H432-L436 WeakPolarHBondContact O-CG 3.37Å; H432-L436 PolarHBondContact O-N 3.2Å; H432-Y617 AromaticContact CE1-CD1 3.69Å; H432-Y617 AromaticContact NE2-CD1 3.7Å; H432-Y617 PolarHBondContact NE2-O 2.75Å
433	Q	57.6	Low	53.5	Low	68 Å²	68	97.4 Å²	97.4	32%	0.318	48%	0.484	S	S	.	.	H	α-helix	trans	-55.6	-45.7	174.8	-78.7	175.9	-12.2	0	0	111.8	L429 I430 V437 Y447	L429-Q433 WeakPolarHBondContact O-CG 3.34Å; L429-Q433 PolarHBondContact O-N 3.04Å; I430-Q433 PolarHBondContact O-N 2.66Å; Q433-V437 WeakPolarHBondContact O-CG2 3.43Å; Q433-Y447 WeakPolarHBondContact CA-OH 3.12Å; Q433-Y447 HydrophobicContact CG-CD1 3.89Å; Q433-Y447 HydrophobicContact CG-CD2 4.47Å; Q433-Y447 HydrophobicContact CG-CE1 3.26Å; Q433-Y447 HydrophobicContact CG-CE2 3.92Å; Q433-Y447 HydrophobicContact CG-CG 4.46Å; Q433-Y447 WeakPolarHBondContact CG-OH 3.33Å; Q433-Y447 VanDerWaalsContact NE2-CD1 3.34Å
434	N	54.4	Low	51.4	Low	114 Å²	114	106.1 Å²	106.1	61%	0.61	52%	0.522	S	S	*	.	H	α-helix	trans	-72.4	-29.5	-179.9	-67.7	-18.5	0	0	0	113.4	I430 N431 H432	I430-N434 VanDerWaalsContact O-CG 3.28Å; I430-N434 PolarHBondContact O-N 3.12Å; I430-N434 PolarHBondContact O-ND2 3Å; N431-N434 PolarHBondContact O-N 3.4Å; H432-N434 VanDerWaalsContact C-N 3.31Å; H432-N434 PolarHBondContact O-N 3.04Å
435	T	51.4	Low	50	Low	102 Å²	102	107.6 Å²	107.6	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-82.4	-30.7	-179.8	-47.5	0	0	0	0	111.9	N431 H432	N431-T435 WeakPolarHBondContact O-CB 3.35Å; N431-T435 PolarHBondContact O-N 3Å; N431-T435 PolarHBondContact O-OG1 3.03Å; H432-T435 PolarHBondContact O-N 3.25Å
436	L	47.5	Very low	49.9	Very low	50 Å²	50	106.2 Å²	106.2	26%	0.262	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.5	-175	-70.3	168.1	0	0	0	114.6	H432 D438 L441	H432-L436 HydrophobicContact CB-CD1 4.17Å; H432-L436 VanDerWaalsContact O-CB 3.24Å; H432-L436 WeakPolarHBondContact O-CB 3.45Å; H432-L436 WeakPolarHBondContact O-CD1 3.4Å; H432-L436 WeakPolarHBondContact O-CG 3.37Å; H432-L436 PolarHBondContact O-N 3.2Å; L436-D438 PolarHBondContact O-N 3.18Å; L436-L441 HydrophobicContact CD2-CD1 3.59Å
437	V	46.1	Very low	50.3	Low	123 Å²	123	102 Å²	102	75%	0.745	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-23	173.4	171.7	0	0	0	0	111.7	Q433	Q433-V437 WeakPolarHBondContact O-CG2 3.43Å
438	D	38.9	Very low	50.9	Low	149 Å²	149	96.4 Å²	96.4	80%	0.797	48%	0.478	S	S	*	.	S	Bend	trans	-100.7	-8	-173.3	-86.4	-28	0	0	0	116.3	L436	L436-D438 PolarHBondContact O-N 3.18Å
439	E	35.3	Very low	51.7	Low	153 Å²	153	98 Å²	98	72%	0.715	49%	0.489	S	S	*	.	S	Bend	trans	-122.1	128	-175.6	-74	-167.9	160.8	0	0	114.5	L441	E439-L441 PolarHBondContact O-N 2.86Å
440	K	34.4	Very low	52.8	Low	213 Å²	213	98.7 Å²	98.7	93%	0.926	49%	0.492	S	S	*	.			trans	-57.7	65.6	176.5	-68	175.6	174.7	174.3	0	113.9	N442	K440-N442 PolarHBondContact O-N 3.42Å; K440-N442 VanDerWaalsContact O-N 3.16Å
441	L	37.8	Very low	54.1	Low	101 Å²	101	95.1 Å²	95.1	53%	0.529	47%	0.474	S	S	.	.			trans	-77.2	96.1	165	-98.5	139.4	0	0	0	109	L436 E439 R443	L436-L441 HydrophobicContact CD2-CD1 3.59Å; E439-L441 PolarHBondContact O-N 2.86Å; L441-R443 PolarHBondContact O-N 3.11Å
442	N	38.3	Very low	55.4	Low	166 Å²	166	90.5 Å²	90.5	89%	0.888	45%	0.449	S	S	*	.	S	Bend	trans	-63.2	19.1	169.8	-91.3	-11.4	0	0	0	114.3	K440	K440-N442 PolarHBondContact O-N 3.42Å; K440-N442 VanDerWaalsContact O-N 3.16Å
443	R	41.5	Very low	56.7	Low	170 Å²	170	88.5 Å²	88.5	64%	0.642	44%	0.44	S	S	*	.	S	Bend	trans	-130.1	102.7	164.9	-78.3	-178.3	169.1	138	-2.6	106.5	L441 S445	L441-R443 PolarHBondContact O-N 3.11Å; R443-S445 PolarHBondContact O-N 3.12Å
444	K	43.4	Very low	58.1	Low	182 Å²	182	86.2 Å²	86.2	79%	0.791	43%	0.43	S	S	*	.			trans	-65.3	96	-178.8	-71.3	-179	178.6	177.9	0	109.5	F446	K444-F446 PolarHBondContact O-N 2.94Å
445	S	51.5	Low	59.3	Low	36 Å²	36	81.9 Å²	81.9	25%	0.252	41%	0.412	S	S	.	.			trans	-61.8	124.3	166	44.1	0	0	0	0	109.1	R443 V453	R443-S445 PolarHBondContact O-N 3.12Å; S445-V453 WeakPolarHBondContact CA-O 3.44Å
446	F	64.6	Low	60.4	Low	87 Å²	87	77.8 Å²	77.8	38%	0.382	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.1	177.1	173.6	-90.6	0	0	0	110.6	W385 K444 L452 V453	W385-F446 HydrophobicContact CH2-CD1 4.28Å; W385-F446 AromaticContact CH2-CE1 3.32Å; W385-F446 HydrophobicContact CH2-CE1 3.32Å; W385-F446 AromaticContact CH2-CZ 3.94Å; W385-F446 HydrophobicContact CH2-CZ 3.94Å; W385-F446 AromaticContact CZ2-CE1 3.28Å; W385-F446 HydrophobicContact CZ2-CE1 3.28Å; W385-F446 AromaticContact CZ2-CZ 3.51Å; W385-F446 HydrophobicContact CZ2-CZ 3.51Å; K444-F446 PolarHBondContact O-N 2.94Å; F446-L452 CarbonylContact O-C 3.55Å; F446-L452 VanDerWaalsContact O-CA 3.27Å; F446-L452 WeakPolarHBondContact O-CA 3.27Å; F446-V453 HydrophobicContact CD1-CG2 4.45Å; F446-V453 PolarHBondContact O-N 3.38Å
447	Y	70.4	Confident	61.2	Low	65 Å²	65	79.8 Å²	79.8	26%	0.255	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	112.6	-179.4	-65.2	-78.3	0	0	0	111.4	L429 Q433 G451	L429-Y447 HydrophobicContact CD1-CD1 3.71Å; L429-Y447 HydrophobicContact CD1-CE1 4.01Å; L429-Y447 HydrophobicContact CD2-CD1 4.33Å; L429-Y447 HydrophobicContact CG-CD1 4.02Å; L429-Y447 HydrophobicContact CG-CE1 4.37Å; Q433-Y447 WeakPolarHBondContact CA-OH 3.12Å; Q433-Y447 HydrophobicContact CG-CD1 3.89Å; Q433-Y447 HydrophobicContact CG-CD2 4.47Å; Q433-Y447 HydrophobicContact CG-CE1 3.26Å; Q433-Y447 HydrophobicContact CG-CE2 3.92Å; Q433-Y447 HydrophobicContact CG-CG 4.46Å; Q433-Y447 WeakPolarHBondContact CG-OH 3.33Å; Q433-Y447 VanDerWaalsContact NE2-CD1 3.34Å; Y447-G451 CarbonylContact C-O 3.55Å; Y447-G451 WeakPolarHBondContact CA-O 3.4Å
448	G	71	Confident	61.7	Low	5 Å²	5	81.3 Å²	81.3	5%	0.052	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	179.7	161.6	0	0	0	0	0	111.1	D450 G451	G448-D450 PolarHBondContact O-N 3.19Å; G448-D450 VanDerWaalsContact O-N 3.13Å; G448-G451 PolarHBondContact N-O 3.32Å
449	P	73.2	Confident	62.4	Low	46 Å²	46	78.7 Å²	78.7	30%	0.299	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-32.9	-171.8	23.2	-33.1	0	0	0	113.2	L382 W385	L382-P449 HydrophobicContact CD2-CG 3.85Å; W385-P449 HydrophobicContact CB-CG 4.01Å; W385-P449 HydrophobicContact CD2-CG 4.3Å; W385-P449 HydrophobicContact CG-CB 4.25Å; W385-P449 HydrophobicContact CG-CG 3.82Å
450	D	78.6	Confident	63.3	Low	22 Å²	22	78.1 Å²	78.1	12%	0.118	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-147.2	46.1	175.3	-68.9	-71.3	0	0	0	109.6	H378 L424 R426 G448	H378-D450 VanDerWaalsContact CE1-CB 3.46Å; H378-D450 WeakPolarHBondContact CE1-CB 3.33Å; H378-D450 IonicContact CE1-OD2 2.88Å; H378-D450 PolarHBondContact CE1-OD2 3.27Å; H378-D450 WeakPolarHBondContact NE2-CB 3.42Å; H378-D450 IonicContact NE2-OD2 3.68Å; L424-D450 PolarHBondContact N-O 2.86Å; R426-D450 IonicContact CZ-OD1 3.45Å; R426-D450 IonicContact NE-OD1 3.44Å; R426-D450 PolarHBondContact NE-OD1 2.64Å; R426-D450 IonicContact NH2-OD1 2.7Å; R426-D450 PolarHBondContact NH2-OD1 2.72Å; R426-D450 IonicContact NH2-OD2 2.71Å; G448-D450 PolarHBondContact O-N 3.19Å; G448-D450 VanDerWaalsContact O-N 3.13Å
451	G	85.4	Confident	64	Low	0 Å²	0	74 Å²	74	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	-175.6	-177	0	0	0	0	0	113.1	Y421 I422 Y447 G448	Y421-G451 PolarHBondContact OH-N 3.08Å; I422-G451 CarbonylContact O-C 3.52Å; I422-G451 WeakPolarHBondContact O-CA 3.29Å; Y447-G451 CarbonylContact C-O 3.55Å; Y447-G451 WeakPolarHBondContact CA-O 3.4Å; G448-G451 PolarHBondContact N-O 3.32Å
452	L	85	Confident	64.6	Low	3 Å²	3	72.4 Å²	72.4	2%	0.016	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	146	179.4	66.4	91.4	0	0	0	111.7	I422 L424 F446 I454 Y617	I422-L452 HydrophobicContact CB-CD1 4.48Å; I422-L452 HydrophobicContact CB-CG 4.45Å; I422-L452 PolarHBondContact N-O 3.06Å; I422-L452 PolarHBondContact O-N 3.26Å; L424-L452 HydrophobicContact CD1-CD2 3.56Å; L424-L452 HydrophobicContact CD1-CG 4.23Å; F446-L452 CarbonylContact O-C 3.55Å; F446-L452 VanDerWaalsContact O-CA 3.27Å; F446-L452 WeakPolarHBondContact O-CA 3.27Å; L452-I454 HydrophobicContact CD1-CB 4.46Å; L452-I454 HydrophobicContact CD1-CG2 3.2Å; L452-Y617 HydrophobicContact CD1-CE1 4.34Å; L452-Y617 HydrophobicContact CD2-CD1 3.94Å; L452-Y617 HydrophobicContact CD2-CE1 3.92Å
453	V	85.2	Confident	66.3	Low	4 Å²	4	65.2 Å²	65.2	2%	0.024	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.8	169.9	-172.3	0	0	0	0	109	F420 Y421 S445 F446 L456 V470 F471	F420-V453 CarbonylContact O-C 3.58Å; F420-V453 VanDerWaalsContact O-CA 3.31Å; F420-V453 WeakPolarHBondContact O-CA 3.34Å; Y421-V453 HydrophobicContact CD2-CG2 3.95Å; S445-V453 WeakPolarHBondContact CA-O 3.44Å; F446-V453 HydrophobicContact CD1-CG2 4.45Å; F446-V453 PolarHBondContact O-N 3.38Å; V453-L456 HydrophobicContact CG1-CD1 3.52Å; V453-L456 HydrophobicContact CG1-CG 3.93Å; V453-V470 HydrophobicContact CG1-CG2 4.33Å; V453-F471 HydrophobicContact CG2-CD2 4.37Å; V453-F471 HydrophobicContact CG2-CE2 3.41Å; V453-F471 VanDerWaalsContact CG2-CE2 3.41Å; V453-F471 HydrophobicContact CG2-CZ 3.86Å
454	I	85.6	Confident	68.1	Low	20 Å²	20	62.5 Å²	62.5	10%	0.103	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	154.7	172.7	55.4	175.5	0	0	0	110.9	I419 F420 I422 L452 L456 L613 Y617	I419-I454 VanDerWaalsContact CA-O 3.31Å; I419-I454 WeakPolarHBondContact CA-O 3.48Å; I419-I454 WeakPolarHBondContact CG2-O 3.36Å; F420-I454 HydrophobicContact CB-CD1 4.12Å; F420-I454 HydrophobicContact CB-CG1 3.87Å; F420-I454 HydrophobicContact CD2-CD1 4.06Å; F420-I454 HydrophobicContact CD2-CG1 4.4Å; F420-I454 PolarHBondContact N-O 3.07Å; F420-I454 WeakPolarHBondContact O-CG1 3.46Å; F420-I454 PolarHBondContact O-N 2.77Å; I422-I454 HydrophobicContact CD1-CD1 4.3Å; I422-I454 HydrophobicContact CG1-CD1 4.13Å; I422-I454 HydrophobicContact CG1-CG1 4.34Å; L452-I454 HydrophobicContact CD1-CB 4.46Å; L452-I454 HydrophobicContact CD1-CG2 3.2Å; I454-L456 VanDerWaalsContact C-N 3.33Å; I454-L456 PolarHBondContact O-N 3.19Å; I454-L613 HydrophobicContact CD1-CD1 3.68Å; I454-Y617 HydrophobicContact CG2-CE2 4.46Å
455	G	79.2	Confident	70.2	Confident	22 Å²	22	56.3 Å²	56.3	23%	0.227	31%	0.308	C	S	.	.	S	Bend	trans	84.1	-11.3	169.2	0	0	0	0	0	116.3
456	L	74.8	Confident	71.9	Confident	16 Å²	16	54.7 Å²	54.7	8%	0.084	30%	0.297	C	S	.	.			trans	-80	141	175.3	-73.4	177.5	0	0	0	112.7	I419 V453 I454 L466 V467	I419-L456 HydrophobicContact CD1-CD2 4.15Å; I419-L456 HydrophobicContact CG2-CD1 4.5Å; I419-L456 HydrophobicContact CG2-CD2 3.69Å; I419-L456 HydrophobicContact CG2-CG 3.64Å; V453-L456 HydrophobicContact CG1-CD1 3.52Å; V453-L456 HydrophobicContact CG1-CG 3.93Å; I454-L456 VanDerWaalsContact C-N 3.33Å; I454-L456 PolarHBondContact O-N 3.19Å; L456-L466 HydrophobicContact CD2-CD2 3.38Å; L456-L466 HydrophobicContact CD2-CG 3.87Å; L456-V467 HydrophobicContact CD1-CG2 3.62Å
457	D	64.6	Low	73.1	Confident	93 Å²	93	51.1 Å²	51.1	50%	0.497	28%	0.282	S	S	.	.			trans	-114.3	107.4	167.7	178.6	9.4	0	0	0	109.5	S459	D457-S459 PolarHBondContact O-N 3.1Å; D457-S459 VanDerWaalsContact O-N 3.09Å; D457-S459 PolarHBondContact OD1-N 3.49Å
458	Y	57.1	Low	74	Confident	155 Å²	155	48 Å²	48	61%	0.608	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	1.8	-173	-135.6	-95.8	0	0	0	114.2	K460	Y458-K460 PolarHBondContact O-N 3.28Å; Y458-K460 VanDerWaalsContact O-N 3.15Å
459	S	54	Low	75.1	Confident	94 Å²	94	47.9 Å²	47.9	66%	0.657	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-2.6	175.1	92.3	0	0	0	0	113.1	D457	D457-S459 PolarHBondContact O-N 3.1Å; D457-S459 VanDerWaalsContact O-N 3.09Å; D457-S459 PolarHBondContact OD1-N 3.49Å
460	K	53.4	Low	76	Confident	140 Å²	140	45.8 Å²	45.8	61%	0.609	25%	0.254	S	S	*	.	S	Bend	trans	-125.4	130.3	-175	-62.8	-178.1	-177.4	176.1	0	111.5	Y458 A462	Y458-K460 PolarHBondContact O-N 3.28Å; Y458-K460 VanDerWaalsContact O-N 3.15Å; K460-A462 PolarHBondContact O-N 2.79Å; K460-A462 VanDerWaalsContact O-N 3.11Å
461	S	49	Very low	76.6	Confident	128 Å²	128	44.8 Å²	44.8	90%	0.895	25%	0.249	S	C	*	.	S	Bend	trans	-65	-11.2	-179.1	52.7	0	0	0	0	115.6	D463	S461-D463 PolarHBondContact O-N 3.36Å
462	A	51	Low	77.1	Confident	67 Å²	67	44.8 Å²	44.8	55%	0.554	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	20.6	-175.6	0	0	0	0	0	115.1	K460	K460-A462 PolarHBondContact O-N 2.79Å; K460-A462 VanDerWaalsContact O-N 3.11Å
463	D	73.1	Confident	77.6	Confident	15 Å²	15	44.7 Å²	44.7	8%	0.08	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-20.8	-163.9	-80.7	-15.5	0	0	0	115.3	S461 L465 L466 V467	S461-D463 PolarHBondContact O-N 3.36Å; D463-L465 PolarHBondContact O-N 3.35Å; D463-L466 PolarHBondContact O-N 3.49Å; D463-V467 HydrophobicContact CB-CG2 4.46Å; D463-V467 WeakPolarHBondContact O-CB 3.45Å; D463-V467 WeakPolarHBondContact O-CG2 3.33Å; D463-V467 PolarHBondContact O-N 3.35Å
464	K	79	Confident	78.1	Confident	113 Å²	113	44.6 Å²	44.6	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-45.8	-174.4	-68.7	-165.6	179.3	-164.8	0	113.8	N390 I391 L466 V467 A468	N390-K464 PolarHBondContact O-NZ 2.83Å; I391-K464 HydrophobicContact CD1-CB 4.5Å; I391-K464 HydrophobicContact CD1-CG 4.06Å; I391-K464 HydrophobicContact CG2-CB 4.48Å; K464-L466 VanDerWaalsContact C-N 3.29Å; K464-L466 PolarHBondContact O-N 3.32Å; K464-V467 PolarHBondContact O-N 2.99Å; K464-A468 WeakPolarHBondContact O-CB 2.75Å; K464-A468 PolarHBondContact O-N 3.5Å
465	L	87.9	Confident	78.6	Confident	51 Å²	51	43.7 Å²	43.7	27%	0.267	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-41.7	179.5	-59.9	-177.7	0	0	0	111.3	I401 L408 L410 D463 R469	I401-L465 HydrophobicContact CB-CD2 4.01Å; I401-L465 HydrophobicContact CG1-CD2 3.95Å; I401-L465 HydrophobicContact CG2-CD2 3.64Å; L408-L465 HydrophobicContact CD1-CD1 3.65Å; L410-L465 HydrophobicContact CD1-CB 3.71Å; D463-L465 PolarHBondContact O-N 3.35Å; L465-R469 VanDerWaalsContact O-CB 3.24Å; L465-R469 WeakPolarHBondContact O-CB 3.47Å; L465-R469 PolarHBondContact O-N 2.91Å
466	L	88.6	Confident	79.5	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-74.3	-39.8	-177	-173.2	56.9	0	0	0	111.7	A414 I419 L456 D463 K464 R469 V470	A414-L466 HydrophobicContact CB-CD1 3.8Å; I419-L466 HydrophobicContact CD1-CD2 3.61Å; I419-L466 HydrophobicContact CG2-CD1 4.43Å; I419-L466 HydrophobicContact CG2-CD2 4.24Å; I419-L466 HydrophobicContact CG2-CG 4.19Å; L456-L466 HydrophobicContact CD2-CD2 3.38Å; L456-L466 HydrophobicContact CD2-CG 3.87Å; D463-L466 PolarHBondContact O-N 3.49Å; K464-L466 VanDerWaalsContact C-N 3.29Å; K464-L466 PolarHBondContact O-N 3.32Å; L466-R469 PolarHBondContact O-N 2.97Å; L466-V470 HydrophobicContact CD1-CG1 4.38Å; L466-V470 WeakPolarHBondContact O-CG2 3.39Å; L466-V470 PolarHBondContact O-N 2.79Å
467	V	88	Confident	80.5	Confident	12 Å²	12	41.9 Å²	41.9	7%	0.073	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-53.5	171.4	169.3	0	0	0	0	110	L386 I391 L456 D463 K464 R469 V470 F471	L386-V467 HydrophobicContact CD2-CG1 3.77Å; I391-V467 HydrophobicContact CD1-CG1 4.13Å; I391-V467 HydrophobicContact CG1-CG1 4.36Å; L456-V467 HydrophobicContact CD1-CG2 3.62Å; D463-V467 HydrophobicContact CB-CG2 4.46Å; D463-V467 WeakPolarHBondContact O-CB 3.45Å; D463-V467 WeakPolarHBondContact O-CG2 3.33Å; D463-V467 PolarHBondContact O-N 3.35Å; K464-V467 PolarHBondContact O-N 2.99Å; V467-R469 VanDerWaalsContact C-N 3.3Å; V467-R469 PolarHBondContact O-N 2.86Å; V467-V470 WeakPolarHBondContact O-CG2 2.93Å; V467-V470 PolarHBondContact O-N 2.87Å; V467-F471 HydrophobicContact CG1-CD2 4.07Å; V467-F471 HydrophobicContact CG1-CE2 4.07Å; V467-F471 VanDerWaalsContact O-CD2 3.26Å; V467-F471 WeakPolarHBondContact O-CD2 3.3Å; V467-F471 PolarHBondContact O-N 2.86Å
468	A	91.2	Very high	82	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.4	-46.9	176.1	0	0	0	0	0	111.5	I391 L398 I401 K464 V470 F471 I472	I391-A468 HydrophobicContact CG2-CB 3.96Å; L398-A468 HydrophobicContact CD1-CB 4.2Å; I401-A468 HydrophobicContact CG2-CB 3.59Å; K464-A468 WeakPolarHBondContact O-CB 2.75Å; K464-A468 PolarHBondContact O-N 3.5Å; A468-V470 PolarHBondContact O-N 3.29Å; A468-F471 PolarHBondContact O-N 3.44Å; A468-I472 VanDerWaalsContact O-CG1 3.28Å; A468-I472 WeakPolarHBondContact O-CG1 3.49Å; A468-I472 PolarHBondContact O-N 3.41Å
469	R	92.3	Very high	83.9	Confident	1 Å²	1	30.2 Å²	30.2	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-55.3	-54.1	179.3	174	66.1	86.7	-116.1	-2.4	112.3	L402 D406 D411 L465 L466 V467 F471 I472 E473	L402-R469 VanDerWaalsContact CA-NH1 3.28Å; L402-R469 VanDerWaalsContact CD2-NH1 3.29Å; L402-R469 PolarHBondContact O-NH1 3.26Å; L402-R469 PolarHBondContact O-NH2 3.18Å; D406-R469 VanDerWaalsContact CG-NH2 3.27Å; D406-R469 IonicContact OD1-CZ 2.64Å; D406-R469 IonicContact OD1-NE 3.86Å; D406-R469 IonicContact OD1-NH2 2.76Å; D406-R469 PolarHBondContact OD1-NH2 2.97Å; D406-R469 IonicContact OD2-NH2 2.72Å; D411-R469 IonicContact OD1-NE 3.94Å; L465-R469 VanDerWaalsContact O-CB 3.24Å; L465-R469 WeakPolarHBondContact O-CB 3.47Å; L465-R469 PolarHBondContact O-N 2.91Å; L466-R469 PolarHBondContact O-N 2.97Å; V467-R469 VanDerWaalsContact C-N 3.3Å; V467-R469 PolarHBondContact O-N 2.86Å; R469-F471 VanDerWaalsContact C-N 3.35Å; R469-F471 PolarHBondContact O-N 3.14Å; R469-I472 PolarHBondContact O-N 3.28Å; R469-E473 WeakPolarHBondContact O-CB 3.43Å; R469-E473 PolarHBondContact O-N 3.04Å
470	V	92.3	Very high	85.9	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-70.6	-30.8	-173.2	-62	0	0	0	0	113.1	I419 V453 L466 V467 A468 S474	I419-V470 HydrophobicContact CG2-CG1 4.09Å; I419-V470 WeakPolarHBondContact O-CG1 3.35Å; V453-V470 HydrophobicContact CG1-CG2 4.33Å; L466-V470 HydrophobicContact CD1-CG1 4.38Å; L466-V470 WeakPolarHBondContact O-CG2 3.39Å; L466-V470 PolarHBondContact O-N 2.79Å; V467-V470 WeakPolarHBondContact O-CG2 2.93Å; V467-V470 PolarHBondContact O-N 2.87Å; A468-V470 PolarHBondContact O-N 3.29Å; V470-S474 WeakPolarHBondContact O-CB 3.28Å; V470-S474 PolarHBondContact O-N 3.02Å; V470-S474 VanDerWaalsContact O-N 3.13Å
471	F	92.7	Very high	87.8	Confident	1 Å²	1	22.3 Å²	22.3	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-69.9	-48.5	174.8	-87.6	-99.7	0	0	0	111.6	L382 W385 L386 Y421 V453 V467 A468 R469 S474	L382-F471 HydrophobicContact CB-CD1 4.37Å; L382-F471 HydrophobicContact CD2-CD1 4.14Å; L382-F471 HydrophobicContact CD2-CE1 4.34Å; W385-F471 HydrophobicContact CD2-CE1 4.48Å; W385-F471 HydrophobicContact CE3-CD1 4.07Å; W385-F471 AromaticContact CE3-CE1 3.53Å; W385-F471 HydrophobicContact CE3-CE1 3.53Å; W385-F471 AromaticContact CE3-CZ 3.83Å; W385-F471 HydrophobicContact CE3-CZ 3.83Å; W385-F471 HydrophobicContact CH2-CE1 4.24Å; W385-F471 HydrophobicContact CH2-CE2 4.21Å; W385-F471 AromaticContact CH2-CZ 3.67Å; W385-F471 HydrophobicContact CH2-CZ 3.67Å; W385-F471 HydrophobicContact CZ3-CD1 4.06Å; W385-F471 HydrophobicContact CZ3-CD2 4.32Å; W385-F471 AromaticContact CZ3-CE1 3.39Å; W385-F471 HydrophobicContact CZ3-CE1 3.39Å; W385-F471 AromaticContact CZ3-CE2 3.67Å; W385-F471 HydrophobicContact CZ3-CE2 3.67Å; W385-F471 HydrophobicContact CZ3-CG 4.49Å; W385-F471 AromaticContact CZ3-CZ 3.15Å; W385-F471 HydrophobicContact CZ3-CZ 3.15Å; L386-F471 HydrophobicContact CD1-CB 3.79Å; L386-F471 HydrophobicContact CD1-CG 4.41Å; L386-F471 HydrophobicContact CD2-CB 4.19Å; L386-F471 HydrophobicContact CD2-CD1 4.5Å; L386-F471 HydrophobicContact CD2-CD2 4.1Å; L386-F471 HydrophobicContact CD2-CG 4.03Å; L386-F471 HydrophobicContact CG-CB 4.24Å; L386-F471 HydrophobicContact CG-CG 4.33Å; Y421-F471 AromaticContact CD1-CD1 3.9Å; Y421-F471 HydrophobicContact CD1-CD1 3.9Å; Y421-F471 HydrophobicContact CD1-CE1 4.12Å; Y421-F471 HydrophobicContact CD1-CG 4.31Å; Y421-F471 HydrophobicContact CD2-CD1 4.17Å; Y421-F471 HydrophobicContact CD2-CD2 4.46Å; Y421-F471 AromaticContact CD2-CE1 3.64Å; Y421-F471 HydrophobicContact CD2-CE1 3.64Å; Y421-F471 HydrophobicContact CD2-CE2 4.01Å; Y421-F471 AromaticContact CD2-CZ 3.56Å; Y421-F471 HydrophobicContact CD2-CZ 3.56Å; Y421-F471 AromaticContact CE1-CD1 4Å; Y421-F471 HydrophobicContact CE1-CD1 4Å; Y421-F471 HydrophobicContact CE1-CE1 4Å; Y421-F471 HydrophobicContact CE2-CD1 4.27Å; Y421-F471 AromaticContact CE2-CE1 3.51Å; Y421-F471 HydrophobicContact CE2-CE1 3.51Å; Y421-F471 AromaticContact CE2-CZ 3.71Å; Y421-F471 HydrophobicContact CE2-CZ 3.71Å; Y421-F471 AromaticContact CG-CD1 3.99Å; Y421-F471 HydrophobicContact CG-CD1 3.99Å; Y421-F471 HydrophobicContact CG-CD2 4.28Å; Y421-F471 AromaticContact CG-CE1 3.95Å; Y421-F471 HydrophobicContact CG-CE1 3.95Å; Y421-F471 HydrophobicContact CG-CE2 4.28Å; Y421-F471 HydrophobicContact CG-CG 4.16Å; Y421-F471 HydrophobicContact CG-CZ 4.1Å; Y421-F471 AromaticContact CZ-CE1 3.69Å; V453-F471 HydrophobicContact CG2-CD2 4.37Å; V453-F471 HydrophobicContact CG2-CE2 3.41Å; V453-F471 VanDerWaalsContact CG2-CE2 3.41Å; V453-F471 HydrophobicContact CG2-CZ 3.86Å; V467-F471 HydrophobicContact CG1-CD2 4.07Å; V467-F471 HydrophobicContact CG1-CE2 4.07Å; V467-F471 VanDerWaalsContact O-CD2 3.26Å; V467-F471 WeakPolarHBondContact O-CD2 3.3Å; V467-F471 PolarHBondContact O-N 2.86Å; A468-F471 PolarHBondContact O-N 3.44Å; R469-F471 VanDerWaalsContact C-N 3.35Å; R469-F471 PolarHBondContact O-N 3.14Å; F471-S474 WeakPolarHBondContact O-CB 3.16Å; F471-S474 PolarHBondContact O-N 3Å; F471-S474 PolarHBondContact O-OG 3Å
472	I	95.2	Very high	89.9	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-69.3	-40.1	179.8	-56.3	-61	0	0	0	111.1	I383 L386 L398 L402 A468 R469 S474 I475 W508 L509	I383-I472 HydrophobicContact CD1-CD1 3.98Å; I383-I472 HydrophobicContact CG1-CD1 3.65Å; L386-I472 HydrophobicContact CD1-CD1 4.03Å; L386-I472 HydrophobicContact CD1-CG1 4.31Å; L398-I472 HydrophobicContact CD1-CG1 4.28Å; L398-I472 HydrophobicContact CD2-CD1 4.08Å; L402-I472 HydrophobicContact CD1-CB 4.45Å; L402-I472 HydrophobicContact CD1-CG1 4.24Å; L402-I472 HydrophobicContact CD1-CG2 4.1Å; L402-I472 HydrophobicContact CD2-CB 4.1Å; L402-I472 HydrophobicContact CD2-CG1 4.14Å; L402-I472 HydrophobicContact CD2-CG2 4.47Å; A468-I472 VanDerWaalsContact O-CG1 3.28Å; A468-I472 WeakPolarHBondContact O-CG1 3.49Å; A468-I472 PolarHBondContact O-N 3.41Å; R469-I472 PolarHBondContact O-N 3.28Å; I472-S474 PolarHBondContact O-N 3.01Å; I472-I475 HydrophobicContact CD1-CD1 4.43Å; I472-I475 WeakPolarHBondContact O-CB 3.29Å; I472-I475 PolarHBondContact O-N 3.01Å; I472-I475 VanDerWaalsContact O-N 3.11Å; I472-W508 HydrophobicContact CB-CZ3 4.11Å; I472-W508 HydrophobicContact CG2-CE3 3.84Å; I472-W508 HydrophobicContact CG2-CZ3 3.62Å; I472-L509 HydrophobicContact CG2-CB 4.03Å; I472-L509 HydrophobicContact CG2-CD1 3.89Å; I472-L509 HydrophobicContact CG2-CD2 4.45Å; I472-L509 HydrophobicContact CG2-CG 4.33Å; I472-L509 WeakPolarHBondContact O-CD1 3.16Å
473	E	95.4	Very high	91.9	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-58.8	-36.2	173.8	-179	178.3	-130.6	0	0	112.1	R469 I475 A476 F477 R512 R606	R469-E473 WeakPolarHBondContact O-CB 3.43Å; R469-E473 PolarHBondContact O-N 3.04Å; E473-I475 PolarHBondContact O-N 3.43Å; E473-I475 VanDerWaalsContact O-N 3.15Å; E473-A476 WeakPolarHBondContact O-CB 3.47Å; E473-A476 PolarHBondContact O-N 3.03Å; E473-F477 HydrophobicContact CG-CD1 4.18Å; E473-F477 HydrophobicContact CG-CD2 4.18Å; E473-F477 HydrophobicContact CG-CE1 3.72Å; E473-F477 HydrophobicContact CG-CE2 3.72Å; E473-F477 HydrophobicContact CG-CG 4.41Å; E473-F477 HydrophobicContact CG-CZ 3.48Å; E473-F477 VanDerWaalsContact CG-CZ 3.48Å; E473-F477 PolarHBondContact O-N 2.76Å; E473-F477 VanDerWaalsContact OE1-CZ 3.25Å; E473-F477 WeakPolarHBondContact OE1-CZ 3.22Å; E473-R512 IonicContact OE1-NH1 3.68Å; E473-R512 PolarHBondContact OE1-NH1 3.32Å; E473-R606 IonicContact OE1-CZ 2.9Å; E473-R606 IonicContact OE1-NE 3.4Å; E473-R606 PolarHBondContact OE1-NE 3.42Å; E473-R606 IonicContact OE2-CZ 3.67Å; E473-R606 IonicContact OE2-NE 2.84Å; E473-R606 PolarHBondContact OE2-NE 3.4Å; E473-R606 IonicContact OE2-NH2 3.53Å; E473-R606 PolarHBondContact OE2-NH2 3.07Å
474	S	95.3	Very high	92.9	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	8%	0.078	C	C	.	.	H	α-helix	trans	-58.8	-29.2	178.1	82.7	0	0	0	0	112.8	Y421 V470 F471 I472 F477 C478	Y421-S474 WeakPolarHBondContact CD1-OG 3.41Å; V470-S474 WeakPolarHBondContact O-CB 3.28Å; V470-S474 PolarHBondContact O-N 3.02Å; V470-S474 VanDerWaalsContact O-N 3.13Å; F471-S474 WeakPolarHBondContact O-CB 3.16Å; F471-S474 PolarHBondContact O-N 3Å; F471-S474 PolarHBondContact O-OG 3Å; I472-S474 PolarHBondContact O-N 3.01Å; S474-F477 PolarHBondContact O-N 2.83Å; S474-C478 WeakPolarHBondContact O-CB 3.39Å; S474-C478 PolarHBondContact O-N 3.13Å; S474-C478 PolarHBondContact O-SG 2.91Å
475	I	96.6	Very high	93.4	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-64.9	-46.1	176.5	-57.9	173.7	0	0	0	109.5	L301 M305 A379 L382 I383 I472 E473 C478 T479 V503 L509 M513	L301-I475 HydrophobicContact CD2-CG2 4.37Å; M305-I475 HydrophobicContact CE-CG2 4.11Å; M305-I475 WeakPolarHBondContact CE-O 3.42Å; M305-I475 HydrophobicContact SD-CG2 3.97Å; A379-I475 HydrophobicContact CB-CG2 4.46Å; L382-I475 HydrophobicContact CD1-CG1 4.15Å; I383-I475 HydrophobicContact CG1-CD1 4.47Å; I472-I475 HydrophobicContact CD1-CD1 4.43Å; I472-I475 WeakPolarHBondContact O-CB 3.29Å; I472-I475 PolarHBondContact O-N 3.01Å; I472-I475 VanDerWaalsContact O-N 3.11Å; E473-I475 PolarHBondContact O-N 3.43Å; E473-I475 VanDerWaalsContact O-N 3.15Å; I475-C478 PolarHBondContact O-N 2.97Å; I475-T479 PolarHBondContact O-N 3.41Å; I475-T479 PolarHBondContact O-OG1 3.27Å; I475-V503 HydrophobicContact CD1-CG1 4.48Å; I475-L509 HydrophobicContact CB-CD1 3.99Å; I475-L509 HydrophobicContact CD1-CD2 4.23Å; I475-L509 HydrophobicContact CG2-CD1 4.19Å; I475-L509 HydrophobicContact CG2-CD2 4.19Å; I475-M513 HydrophobicContact CG2-CE 4.37Å
476	A	97.5	Very high	93.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.6	-42.3	175.3	0	0	0	0	0	112.2	E473 T479 K480 L509 R512 M513	E473-A476 WeakPolarHBondContact O-CB 3.47Å; E473-A476 PolarHBondContact O-N 3.03Å; A476-T479 WeakPolarHBondContact O-CB 3.38Å; A476-T479 PolarHBondContact O-N 3.08Å; A476-K480 PolarHBondContact O-N 3.26Å; A476-L509 HydrophobicContact CB-CD1 4.41Å; A476-R512 HydrophobicContact CB-CG 4.02Å; A476-M513 HydrophobicContact CB-CB 4.16Å
477	F	97.3	Very high	93.6	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-39.3	176.1	-69.7	-6.1	0	0	0	112.4	F420 E473 S474 T479 K480 L481 T516 I603 R606 Y607 W610	F420-F477 HydrophobicContact CD1-CE2 4.23Å; F420-F477 HydrophobicContact CE1-CE2 4.12Å; E473-F477 HydrophobicContact CG-CD1 4.18Å; E473-F477 HydrophobicContact CG-CD2 4.18Å; E473-F477 HydrophobicContact CG-CE1 3.72Å; E473-F477 HydrophobicContact CG-CE2 3.72Å; E473-F477 HydrophobicContact CG-CG 4.41Å; E473-F477 HydrophobicContact CG-CZ 3.48Å; E473-F477 VanDerWaalsContact CG-CZ 3.48Å; E473-F477 PolarHBondContact O-N 2.76Å; E473-F477 VanDerWaalsContact OE1-CZ 3.25Å; E473-F477 WeakPolarHBondContact OE1-CZ 3.22Å; S474-F477 PolarHBondContact O-N 2.83Å; F477-T479 VanDerWaalsContact C-N 3.35Å; F477-K480 PolarHBondContact O-N 3.27Å; F477-L481 WeakPolarHBondContact O-CB 3.44Å; F477-L481 PolarHBondContact O-N 3.48Å; F477-T516 HydrophobicContact CD1-CG2 3.63Å; F477-T516 HydrophobicContact CE1-CG2 4.06Å; F477-I603 HydrophobicContact CE1-CG2 4.27Å; F477-R606 HydrophobicContact CE2-CB 4.47Å; F477-R606 HydrophobicContact CZ-CB 3.75Å; F477-Y607 HydrophobicContact CB-CD2 3.96Å; F477-Y607 HydrophobicContact CB-CE2 4.44Å; F477-Y607 AromaticContact CD1-CD2 3.94Å; F477-Y607 HydrophobicContact CD1-CD2 3.94Å; F477-Y607 HydrophobicContact CD1-CG 4.43Å; F477-Y607 AromaticContact CG-CD2 3.97Å; F477-Y607 HydrophobicContact CG-CD2 3.97Å; F477-Y607 WeakPolarHBondContact O-CE2 3.46Å; F477-W610 HydrophobicContact CB-CD2 3.9Å; F477-W610 HydrophobicContact CB-CE3 3.77Å; F477-W610 HydrophobicContact CB-CH2 3.99Å; F477-W610 HydrophobicContact CB-CZ2 4.1Å; F477-W610 HydrophobicContact CB-CZ3 3.83Å; F477-W610 HydrophobicContact CD2-CB 3.74Å; F477-W610 AromaticContact CD2-CD1 3.69Å; F477-W610 AromaticContact CD2-CD2 3.62Å; F477-W610 HydrophobicContact CD2-CD2 3.62Å; F477-W610 HydrophobicContact CD2-CE3 4.16Å; F477-W610 AromaticContact CD2-CG 3.4Å; F477-W610 HydrophobicContact CD2-CG 3.4Å; F477-W610 HydrophobicContact CE2-CB 3.8Å; F477-W610 AromaticContact CE2-CG 3.92Å; F477-W610 HydrophobicContact CE2-CG 3.92Å; F477-W610 HydrophobicContact CG-CD2 4.16Å; F477-W610 HydrophobicContact CG-CE3 4.28Å; F477-W610 HydrophobicContact CG-CG 4.36Å
478	C	95.3	Very high	93.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-65.2	-38.5	174.5	-68.1	0	0	0	0	111.5	M305 Y376 S474 I475 K480 L481 M482	M305-C478 HydrophobicContact CE-CB 4.48Å; M305-C478 HydrophobicContact SD-CB 4.11Å; Y376-C478 HydrophobicContact CD1-CB 3.95Å; Y376-C478 HydrophobicContact CE1-CB 3.76Å; Y376-C478 WeakPolarHBondContact CE1-SG 3.38Å; Y376-C478 HydrophobicContact CE2-CB 4.42Å; Y376-C478 HydrophobicContact CG-CB 4.35Å; Y376-C478 PolarHBondContact OH-SG 2.71Å; S474-C478 WeakPolarHBondContact O-CB 3.39Å; S474-C478 PolarHBondContact O-N 3.13Å; S474-C478 PolarHBondContact O-SG 2.91Å; I475-C478 PolarHBondContact O-N 2.97Å; C478-K480 PolarHBondContact O-N 2.76Å; C478-L481 PolarHBondContact O-N 2.95Å; C478-M482 VanDerWaalsContact O-CG 3.3Å; C478-M482 WeakPolarHBondContact O-CG 3.36Å; C478-M482 PolarHBondContact O-N 3Å
479	T	96.1	Very high	93.3	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-57.7	-49.9	171.7	-58.3	0	0	0	0	110.9	L299 M305 I475 A476 F477 L481 M482 L483 L497 M513 I517	L299-T479 HydrophobicContact CD2-CG2 3.79Å; M305-T479 WeakPolarHBondContact CE-OG1 3.28Å; I475-T479 PolarHBondContact O-N 3.41Å; I475-T479 PolarHBondContact O-OG1 3.27Å; A476-T479 WeakPolarHBondContact O-CB 3.38Å; A476-T479 PolarHBondContact O-N 3.08Å; F477-T479 VanDerWaalsContact C-N 3.35Å; T479-L481 VanDerWaalsContact C-N 3.35Å; T479-L481 PolarHBondContact O-N 2.78Å; T479-M482 WeakPolarHBondContact O-CB 3.45Å; T479-M482 PolarHBondContact O-N 3.34Å; T479-L483 HydrophobicContact CG2-CD1 4.08Å; T479-L483 HydrophobicContact CG2-CG 4.46Å; T479-L483 WeakPolarHBondContact O-CG 3.44Å; T479-L483 PolarHBondContact O-N 3.45Å; T479-L497 HydrophobicContact CG2-CD2 3.73Å; T479-M513 HydrophobicContact CG2-CG 4.18Å; T479-M513 HydrophobicContact CG2-SD 3.85Å; T479-M513 VanDerWaalsContact OG1-CE 3.3Å; T479-M513 WeakPolarHBondContact OG1-CE 3.4Å; T479-I517 HydrophobicContact CG2-CG2 4.02Å
480	K	96.6	Very high	93	Very high	40 Å²	40	28.8 Å²	28.8	17%	0.174	13%	0.129	C	C	.	.	H	α-helix	trans	-58.1	-48.3	178.7	-179.8	73.3	-175.9	-171.9	0	111.4	A476 F477 C478 M482 L483 E484 T516 I517 Y607	A476-K480 PolarHBondContact O-N 3.26Å; F477-K480 PolarHBondContact O-N 3.27Å; C478-K480 PolarHBondContact O-N 2.76Å; K480-M482 VanDerWaalsContact C-N 3.33Å; K480-M482 PolarHBondContact O-N 3.4Å; K480-L483 PolarHBondContact O-N 3.37Å; K480-E484 HydrophobicContact CD-CG 4.49Å; K480-E484 WeakPolarHBondContact CE-OE1 3.34Å; K480-E484 HydrophobicContact CG-CG 4.45Å; K480-E484 WeakPolarHBondContact O-CG 3.47Å; K480-E484 PolarHBondContact O-N 3.39Å; K480-T516 HydrophobicContact CB-CG2 3.84Å; K480-T516 HydrophobicContact CG-CG2 4.35Å; K480-I517 HydrophobicContact CB-CG2 4.19Å; K480-I517 HydrophobicContact CD-CB 4.38Å; K480-I517 HydrophobicContact CD-CG2 4.25Å; K480-I517 PolarHBondContact NZ-O 3.2Å; K480-Y607 HydrophobicContact CB-CD2 4.09Å; K480-Y607 HydrophobicContact CB-CE1 4.5Å; K480-Y607 HydrophobicContact CB-CE2 3.71Å; K480-Y607 HydrophobicContact CG-CD1 3.93Å; K480-Y607 HydrophobicContact CG-CD2 4.02Å; K480-Y607 HydrophobicContact CG-CE1 3.49Å; K480-Y607 VanDerWaalsContact CG-CE1 3.49Å; K480-Y607 HydrophobicContact CG-CE2 3.6Å; K480-Y607 HydrophobicContact CG-CG 4.17Å
481	L	94.1	Very high	92.9	Very high	28 Å²	28	39.8 Å²	39.8	15%	0.147	17%	0.17	C	C	.	.	H	α-helix	trans	-60.1	-42.3	179.5	179.9	64.3	0	0	0	111.9	F477 C478 T479 N485 Y607 W610	F477-L481 WeakPolarHBondContact O-CB 3.44Å; F477-L481 PolarHBondContact O-N 3.48Å; C478-L481 PolarHBondContact O-N 2.95Å; T479-L481 VanDerWaalsContact C-N 3.35Å; T479-L481 PolarHBondContact O-N 2.78Å; L481-N485 WeakPolarHBondContact O-CB 3.13Å; L481-N485 PolarHBondContact O-N 3.05Å; L481-N485 PolarHBondContact O-ND2 2.98Å; L481-Y607 WeakPolarHBondContact CA-OH 3.34Å; L481-Y607 HydrophobicContact CB-CE2 4.4Å; L481-Y607 PolarHBondContact N-OH 3.39Å; L481-W610 HydrophobicContact CB-CZ3 4.28Å; L481-W610 HydrophobicContact CD2-CH2 4.09Å; L481-W610 HydrophobicContact CD2-CZ3 4.08Å
482	M	91.8	Very high	92.7	Very high	13 Å²	13	40.2 Å²	40.2	6%	0.064	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-56.9	173.2	-73.7	177.7	75.3	0	0	110	M305 L307 Y376 C478 T479 K480 E484 N485 Y486	M305-M482 HydrophobicContact CE-SD 4.47Å; L307-M482 HydrophobicContact CB-CE 3.6Å; L307-M482 HydrophobicContact CD2-CB 4.44Å; L307-M482 HydrophobicContact CD2-CE 4.27Å; Y376-M482 HydrophobicContact CG-SD 4.5Å; C478-M482 VanDerWaalsContact O-CG 3.3Å; C478-M482 WeakPolarHBondContact O-CG 3.36Å; C478-M482 PolarHBondContact O-N 3Å; T479-M482 WeakPolarHBondContact O-CB 3.45Å; T479-M482 PolarHBondContact O-N 3.34Å; K480-M482 VanDerWaalsContact C-N 3.33Å; K480-M482 PolarHBondContact O-N 3.4Å; M482-E484 VanDerWaalsContact C-N 3.29Å; M482-E484 PolarHBondContact O-N 3.18Å; M482-N485 WeakPolarHBondContact O-CB 3.29Å; M482-N485 PolarHBondContact O-N 3.26Å; M482-Y486 HydrophobicContact CB-CD2 4.37Å; M482-Y486 HydrophobicContact CB-CE2 4.22Å; M482-Y486 HydrophobicContact CE-CE2 4.31Å; M482-Y486 WeakPolarHBondContact O-CD2 3.25Å; M482-Y486 PolarHBondContact O-N 3.12Å
483	L	93.8	Very high	92.5	Very high	20 Å²	20	42.3 Å²	42.3	11%	0.105	19%	0.187	C	C	.	.	H	α-helix	trans	-57.1	-40	-177.8	-69.7	175.2	0	0	0	112.8	L307 T479 K480 Y486 R487 P494 I517	L307-L483 HydrophobicContact CD1-CD2 4.14Å; L307-L483 HydrophobicContact CD2-CD2 3.98Å; T479-L483 HydrophobicContact CG2-CD1 4.08Å; T479-L483 HydrophobicContact CG2-CG 4.46Å; T479-L483 WeakPolarHBondContact O-CG 3.44Å; T479-L483 PolarHBondContact O-N 3.45Å; K480-L483 PolarHBondContact O-N 3.37Å; L483-Y486 PolarHBondContact O-N 3.03Å; L483-R487 WeakPolarHBondContact O-CB 3.41Å; L483-R487 PolarHBondContact O-N 2.96Å; L483-P494 HydrophobicContact CD2-CG 3.99Å; L483-I517 HydrophobicContact CD1-CB 4.26Å; L483-I517 HydrophobicContact CD1-CD1 4.36Å; L483-I517 HydrophobicContact CD1-CG2 4Å
484	E	93.8	Very high	92.5	Very high	50 Å²	50	43 Å²	43	23%	0.234	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-43.2	175.2	-74.4	-178	171.8	0	0	112.5	K480 M482 Y486 R487 K488 Y607	K480-E484 HydrophobicContact CD-CG 4.49Å; K480-E484 WeakPolarHBondContact CE-OE1 3.34Å; K480-E484 HydrophobicContact CG-CG 4.45Å; K480-E484 WeakPolarHBondContact O-CG 3.47Å; K480-E484 PolarHBondContact O-N 3.39Å; M482-E484 VanDerWaalsContact C-N 3.29Å; M482-E484 PolarHBondContact O-N 3.18Å; E484-Y486 VanDerWaalsContact C-N 3.28Å; E484-Y486 PolarHBondContact O-N 2.8Å; E484-R487 PolarHBondContact O-N 3.37Å; E484-K488 VanDerWaalsContact O-CG 3.32Å; E484-K488 WeakPolarHBondContact O-CG 3.46Å; E484-K488 PolarHBondContact O-N 3.36Å; E484-Y607 VanDerWaalsContact CD-OH 3.24Å; E484-Y607 WeakPolarHBondContact OE1-CE1 3.48Å; E484-Y607 PolarHBondContact OE2-OH 3.25Å
485	N	89.3	Confident	92.4	Very high	59 Å²	59	47.1 Å²	47.1	32%	0.316	22%	0.221	S	C	.	.	H	α-helix	trans	-64.1	-35.1	176.4	-73.7	-31.8	0	0	0	112.1	L481 M482 Q489	L481-N485 WeakPolarHBondContact O-CB 3.13Å; L481-N485 PolarHBondContact O-N 3.05Å; L481-N485 PolarHBondContact O-ND2 2.98Å; M482-N485 WeakPolarHBondContact O-CB 3.29Å; M482-N485 PolarHBondContact O-N 3.26Å; N485-Q489 WeakPolarHBondContact O-CG 3.37Å; N485-Q489 PolarHBondContact O-N 3.49Å; N485-Q489 PolarHBondContact O-NE2 2.79Å
486	Y	88.6	Confident	92.3	Very high	18 Å²	18	47.9 Å²	47.9	7%	0.071	23%	0.225	C	C	.	.	H	α-helix	trans	-70.9	-47.7	173.3	-74.2	-71.1	0	0	0	111.4	L307 L318 V372 E373 G374 M482 L483 E484 K488 Q489 T490	L307-Y486 HydrophobicContact CD2-CD2 3.48Å; L307-Y486 VanDerWaalsContact CD2-CD2 3.48Å; L307-Y486 HydrophobicContact CD2-CE2 3.66Å; L307-Y486 HydrophobicContact CD2-CG 4.37Å; L318-Y486 HydrophobicContact CD1-CD1 3.84Å; L318-Y486 HydrophobicContact CD1-CE1 3.42Å; L318-Y486 VanDerWaalsContact CD1-CE1 3.42Å; V372-Y486 HydrophobicContact CG1-CD1 3.38Å; V372-Y486 HydrophobicContact CG1-CE1 3.44Å; V372-Y486 VanDerWaalsContact CG1-CE1 3.44Å; V372-Y486 HydrophobicContact CG1-CG 4.49Å; E373-Y486 PolarHBondContact O-OH 3.1Å; G374-Y486 WeakPolarHBondContact CA-OH 3.35Å; M482-Y486 HydrophobicContact CB-CD2 4.37Å; M482-Y486 HydrophobicContact CB-CE2 4.22Å; M482-Y486 HydrophobicContact CE-CE2 4.31Å; M482-Y486 WeakPolarHBondContact O-CD2 3.25Å; M482-Y486 PolarHBondContact O-N 3.12Å; L483-Y486 PolarHBondContact O-N 3.03Å; E484-Y486 VanDerWaalsContact C-N 3.28Å; E484-Y486 PolarHBondContact O-N 2.8Å; Y486-K488 VanDerWaalsContact C-N 3.27Å; Y486-K488 PolarHBondContact O-N 3.37Å; Y486-Q489 CarbonylContact O-C 3.41Å; Y486-Q489 PolarHBondContact O-N 2.87Å; Y486-T490 PolarHBondContact O-N 2.98Å; Y486-T490 PolarHBondContact O-OG1 3.47Å
487	R	91.7	Very high	92.3	Very high	150 Å²	150	47.9 Å²	47.9	57%	0.566	23%	0.225	S	C	*	.	H	α-helix	trans	-53.3	-44.4	175.8	-179	-177.4	177	124.2	-5.7	111.7	L483 E484 Q489 R491 I492 S493	L483-R487 WeakPolarHBondContact O-CB 3.41Å; L483-R487 PolarHBondContact O-N 2.96Å; E484-R487 PolarHBondContact O-N 3.37Å; R487-Q489 PolarHBondContact O-N 3.12Å; R487-R491 WeakPolarHBondContact O-CA 3.43Å; R487-R491 PolarHBondContact O-N 3.23Å; R487-I492 WeakPolarHBondContact CA-O 3.33Å; R487-I492 WeakPolarHBondContact CB-O 3.46Å; R487-S493 WeakPolarHBondContact CD-OG 3.24Å; R487-S493 WeakPolarHBondContact CG-OG 3.19Å; R487-S493 PolarHBondContact NE-OG 2.91Å; R487-S493 PolarHBondContact NH1-OG 3.3Å
488	K	90.1	Very high	92.2	Very high	162 Å²	162	48.5 Å²	48.5	70%	0.704	23%	0.227	S	C	*	.	H	α-helix	trans	-59.3	-33.7	176.7	-74.6	172.6	-175.8	173.6	0	112.8	E484 Y486	E484-K488 VanDerWaalsContact O-CG 3.32Å; E484-K488 WeakPolarHBondContact O-CG 3.46Å; E484-K488 PolarHBondContact O-N 3.36Å; Y486-K488 VanDerWaalsContact C-N 3.27Å; Y486-K488 PolarHBondContact O-N 3.37Å
489	Q	83.9	Confident	92.1	Very high	46 Å²	46	48.5 Å²	48.5	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-93.1	-31.3	-175.7	-68.9	177.9	78.4	0	0	114.1	L318 N485 Y486 R487	L318-Q489 HydrophobicContact CD2-CB 3.58Å; L318-Q489 HydrophobicContact CD2-CG 4.41Å; N485-Q489 WeakPolarHBondContact O-CG 3.37Å; N485-Q489 PolarHBondContact O-N 3.49Å; N485-Q489 PolarHBondContact O-NE2 2.79Å; Y486-Q489 CarbonylContact O-C 3.41Å; Y486-Q489 PolarHBondContact O-N 2.87Å; R487-Q489 PolarHBondContact O-N 3.12Å
490	T	86.5	Confident	91.9	Very high	8 Å²	8	49.4 Å²	49.4	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-109.9	-19	-172.6	64.3	0	0	0	0	113.3	L316 L318 V372 Y486 I492	L316-T490 HydrophobicContact CD1-CG2 3.78Å; L318-T490 HydrophobicContact CD2-CG2 3.69Å; V372-T490 HydrophobicContact CG1-CG2 4.45Å; V372-T490 HydrophobicContact CG2-CG2 4.3Å; Y486-T490 PolarHBondContact O-N 2.98Å; Y486-T490 PolarHBondContact O-OG1 3.47Å; T490-I492 PolarHBondContact O-N 3.19Å; T490-I492 WeakPolarHBondContact OG1-CB 3.38Å; T490-I492 PolarHBondContact OG1-N 2.82Å; T490-I492 VanDerWaalsContact OG1-N 3.07Å
491	R	88.4	Confident	91.5	Very high	232 Å²	232	49.1 Å²	49.1	88%	0.875	24%	0.24	S	C	*	.			trans	59.9	14.5	-165.7	-54.4	-178.6	-179.8	178.4	-1.1	114	R487	R487-R491 WeakPolarHBondContact O-CA 3.43Å; R487-R491 PolarHBondContact O-N 3.23Å
492	I	89.2	Confident	91.2	Very high	10 Å²	10	52.9 Å²	52.9	5%	0.051	26%	0.26	C	S	.	.			trans	-89.9	140.7	177	-62.8	175.8	0	0	0	109	F295 L309 L316 R487 T490	F295-I492 HydrophobicContact CB-CG2 3.87Å; F295-I492 HydrophobicContact CD1-CB 4.05Å; F295-I492 HydrophobicContact CD1-CD1 3.94Å; F295-I492 HydrophobicContact CD1-CG1 3.66Å; F295-I492 HydrophobicContact CD1-CG2 3.45Å; F295-I492 VanDerWaalsContact CD1-CG2 3.45Å; F295-I492 HydrophobicContact CE1-CD1 4.08Å; F295-I492 HydrophobicContact CE1-CG1 3.76Å; F295-I492 HydrophobicContact CE1-CG2 4.4Å; F295-I492 HydrophobicContact CG-CG2 4.06Å; L309-I492 HydrophobicContact CD1-CG2 3.76Å; L309-I492 HydrophobicContact CD2-CB 4.02Å; L309-I492 HydrophobicContact CD2-CD1 4.47Å; L309-I492 HydrophobicContact CD2-CG2 3.83Å; L309-I492 HydrophobicContact CG-CG2 4.06Å; L316-I492 HydrophobicContact CD1-CD1 3.74Å; R487-I492 WeakPolarHBondContact CA-O 3.33Å; R487-I492 WeakPolarHBondContact CB-O 3.46Å; T490-I492 PolarHBondContact O-N 3.19Å; T490-I492 WeakPolarHBondContact OG1-CB 3.38Å; T490-I492 PolarHBondContact OG1-N 2.82Å; T490-I492 VanDerWaalsContact OG1-N 3.07Å
493	S	92.2	Very high	91.2	Very high	46 Å²	46	52.4 Å²	52.4	32%	0.322	26%	0.258	S	S	.	.			trans	-136.1	120.3	169.2	-67.7	0	0	0	0	109.5	R487	R487-S493 WeakPolarHBondContact CD-OG 3.24Å; R487-S493 WeakPolarHBondContact CG-OG 3.19Å; R487-S493 PolarHBondContact NE-OG 2.91Å; R487-S493 PolarHBondContact NH1-OG 3.3Å
494	P	94.4	Very high	91.2	Very high	16 Å²	16	51.5 Å²	51.5	10%	0.104	25%	0.254	C	S	.	.			trans	-68.5	144.2	177.7	27.4	-32.2	0	0	0	112	F295 A297 L309 L483 I519	F295-P494 WeakPolarHBondContact O-CA 3.39Å; F295-P494 WeakPolarHBondContact O-CB 3.41Å; A297-P494 HydrophobicContact CB-CB 3.77Å; A297-P494 HydrophobicContact CB-CG 3.86Å; L309-P494 HydrophobicContact CD1-CB 4.48Å; L309-P494 HydrophobicContact CD1-CG 4.45Å; L483-P494 HydrophobicContact CD2-CG 3.99Å; P494-I519 HydrophobicContact CB-CD1 4.17Å; P494-I519 HydrophobicContact CG-CD1 3.89Å; P494-I519 WeakPolarHBondContact O-CD1 3.41Å
495	S	94	Very high	91.1	Very high	87 Å²	87	56 Å²	56	61%	0.608	27%	0.269	S	S	*	.	S	Bend	trans	-86.1	-17.8	171.3	55.1	0	0	0	0	112.4	P520	S495-P520 WeakPolarHBondContact O-CD 3.47Å
496	I	94.4	Very high	91.3	Very high	17 Å²	17	54 Å²	54	9%	0.087	26%	0.259	C	S	.	.			trans	-149.6	145	177.6	-174.3	162.8	0	0	0	109.4	Y498 P520 E522	I496-Y498 HydrophobicContact CD1-CE1 3.89Å; I496-Y498 HydrophobicContact CG1-CE1 4.29Å; I496-Y498 HydrophobicContact CG2-CE1 4.44Å; I496-Y498 HydrophobicContact CG2-CE2 3.82Å; I496-P520 WeakPolarHBondContact CA-O 3.43Å; I496-P520 HydrophobicContact CD1-CB 4.42Å; I496-P520 HydrophobicContact CG1-CB 4.21Å; I496-E522 HydrophobicContact CD1-CB 3.94Å; I496-E522 WeakPolarHBondContact CD1-OE2 3.19Å; I496-E522 HydrophobicContact CG1-CB 4.39Å
497	L	96	Very high	91.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	110.4	173.2	-175.5	65.8	0	0	0	109.9	A297 L299 L307 T479 V499 M513 I517 I519 P520 V521 E522	A297-L497 HydrophobicContact CB-CD1 3.7Å; L299-L497 HydrophobicContact CB-CD1 3.97Å; L299-L497 HydrophobicContact CB-CD2 4.34Å; L299-L497 HydrophobicContact CB-CG 4.28Å; L299-L497 HydrophobicContact CD2-CD2 4.11Å; L307-L497 HydrophobicContact CD1-CD1 4.05Å; T479-L497 HydrophobicContact CG2-CD2 3.73Å; L497-V499 HydrophobicContact CD2-CG1 4.39Å; L497-V499 HydrophobicContact CG-CG1 4.25Å; L497-M513 HydrophobicContact CD2-SD 3.89Å; L497-I517 HydrophobicContact CB-CD1 4Å; L497-I517 HydrophobicContact CD2-CD1 3.75Å; L497-I519 HydrophobicContact CB-CD1 4.38Å; L497-P520 PolarHBondContact N-O 3.38Å; L497-V521 HydrophobicContact CB-CG2 4.35Å; L497-V521 HydrophobicContact CD2-CG2 4.47Å; L497-V521 CarbonylContact O-C 3.5Å; L497-V521 VanDerWaalsContact O-CA 3.32Å; L497-V521 WeakPolarHBondContact O-CA 3.49Å; L497-E522 PolarHBondContact O-N 3.41Å
498	Y	95.5	Very high	91.9	Very high	14 Å²	14	48.3 Å²	48.3	6%	0.055	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	138.9	170.9	-58.9	-70.1	0	0	0	110	C291 Q296 A297 K298 L299 I496 E522	C291-Y498 HydrophobicContact CB-CD2 4Å; C291-Y498 HydrophobicContact CB-CE2 4.35Å; Q296-Y498 HydrophobicContact CB-CE2 4.25Å; Q296-Y498 HydrophobicContact CG-CE2 4.32Å; Q296-Y498 PolarHBondContact NE2-OH 2.89Å; Q296-Y498 VanDerWaalsContact NE2-OH 3.11Å; A297-Y498 WeakPolarHBondContact O-CD2 3.15Å; A297-Y498 PolarHBondContact O-N 3.46Å; K298-Y498 CarbonylContact C-O 3.3Å; K298-Y498 VanDerWaalsContact CA-O 3.3Å; K298-Y498 WeakPolarHBondContact CA-O 3.3Å; L299-Y498 PolarHBondContact N-O 3.3Å; I496-Y498 HydrophobicContact CD1-CE1 3.89Å; I496-Y498 HydrophobicContact CG1-CE1 4.29Å; I496-Y498 HydrophobicContact CG2-CE1 4.44Å; I496-Y498 HydrophobicContact CG2-CE2 3.82Å; Y498-E522 CarbonylContact C-O 3.53Å; Y498-E522 WeakPolarHBondContact CA-O 3.32Å; Y498-E522 HydrophobicContact CD1-CB 4.04Å; Y498-E522 HydrophobicContact CD1-CG 4.28Å; Y498-E522 HydrophobicContact CE1-CB 4.32Å; Y498-E522 HydrophobicContact CE1-CG 4.43Å; Y498-E522 WeakPolarHBondContact CE1-OE1 3.41Å
499	V	94.8	Very high	92.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.2	-178.4	-67	0	0	0	0	111.7	L299 L301 L497 A504 L510 V521 E522 R523	L299-V499 HydrophobicContact CB-CG1 4.26Å; L299-V499 WeakPolarHBondContact O-CA 3.41Å; L301-V499 HydrophobicContact CD1-CG1 4.41Å; L497-V499 HydrophobicContact CD2-CG1 4.39Å; L497-V499 HydrophobicContact CG-CG1 4.25Å; V499-A504 HydrophobicContact CB-CB 4.25Å; V499-A504 HydrophobicContact CG2-CB 4.33Å; V499-L510 HydrophobicContact CB-CD2 4.23Å; V499-L510 HydrophobicContact CG1-CD2 4.26Å; V499-L510 HydrophobicContact CG2-CD1 3.66Å; V499-L510 HydrophobicContact CG2-CD2 3.74Å; V499-L510 HydrophobicContact CG2-CG 4.33Å; V499-V521 HydrophobicContact CB-CG1 4.33Å; V499-V521 HydrophobicContact CG1-CG1 3.66Å; V499-V521 HydrophobicContact CG2-CG1 3.66Å; V499-E522 WeakPolarHBondContact CG2-O 3.25Å; V499-E522 PolarHBondContact N-O 2.96Å; V499-R523 HydrophobicContact CG2-CB 3.9Å
500	N	91.9	Very high	92.9	Very high	21 Å²	21	38.4 Å²	38.4	11%	0.112	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	-178.7	171	73.6	5.6	0	0	0	111.5	E289 K298 L299 T300 L301	E289-N500 WeakPolarHBondContact OE1-CB 3.41Å; E289-N500 PolarHBondContact OE1-ND2 3.48Å; K298-N500 VanDerWaalsContact CE-ND2 3.27Å; K298-N500 WeakPolarHBondContact CE-ND2 3.41Å; L299-N500 PolarHBondContact O-N 2.94Å; T300-N500 WeakPolarHBondContact CA-OD1 3.43Å; T300-N500 WeakPolarHBondContact CB-OD1 3.5Å; T300-N500 WeakPolarHBondContact CG2-OD1 3.36Å; T300-N500 PolarHBondContact OG1-OD1 2.87Å; L301-N500 PolarHBondContact N-O 3.44Å
501	G	88.3	Confident	93.5	Very high	35 Å²	35	39.7 Å²	39.7	36%	0.361	20%	0.202	S	C	.	.	S	Bend	trans	93.7	166.9	-175.2	0	0	0	0	0	113.5	L301 V503 A504	L301-G501 CarbonylContact O-C 3.59Å; L301-G501 VanDerWaalsContact O-C 3.3Å; L301-G501 WeakPolarHBondContact O-CA 3.42Å; G501-V503 VanDerWaalsContact C-N 3.32Å; G501-V503 PolarHBondContact O-N 2.8Å; G501-A504 VanDerWaalsContact O-CB 3.28Å; G501-A504 WeakPolarHBondContact O-CB 3.48Å; G501-A504 PolarHBondContact O-N 3.06Å
502	N	87.1	Confident	93.9	Very high	106 Å²	106	29.1 Å²	29.1	57%	0.567	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-62.2	-37.1	-170.9	-72.3	-21.9	0	0	0	113.2	L301 A504 R505	L301-N502 PolarHBondContact O-N 2.82Å; N502-A504 PolarHBondContact O-N 3.34Å; N502-R505 VanDerWaalsContact O-CB 3.29Å; N502-R505 WeakPolarHBondContact O-CB 3.29Å; N502-R505 WeakPolarHBondContact O-CG 3.35Å; N502-R505 PolarHBondContact O-N 3.35Å; N502-R505 VanDerWaalsContact O-N 3.14Å
503	V	92	Very high	94.4	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.024	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-70	-26.6	179.1	173.2	0	0	0	0	111.2	L301 A379 I383 I475 G501 R505 S506 L509	L301-V503 HydrophobicContact CB-CB 3.79Å; L301-V503 HydrophobicContact CB-CG1 4.14Å; L301-V503 WeakPolarHBondContact O-CB 3.4Å; L301-V503 PolarHBondContact O-N 3.27Å; A379-V503 HydrophobicContact CB-CG2 4.45Å; I383-V503 HydrophobicContact CD1-CB 4.34Å; I383-V503 HydrophobicContact CD1-CG1 3.74Å; I383-V503 HydrophobicContact CD1-CG2 3.97Å; I475-V503 HydrophobicContact CD1-CG1 4.48Å; G501-V503 VanDerWaalsContact C-N 3.32Å; G501-V503 PolarHBondContact O-N 2.8Å; V503-R505 PolarHBondContact O-N 2.82Å; V503-R505 VanDerWaalsContact O-N 3.09Å; V503-S506 PolarHBondContact O-N 2.87Å; V503-L509 HydrophobicContact CG1-CD2 3.51Å
504	A	93.2	Very high	94.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-66	-8.3	174.1	0	0	0	0	0	112.9	L301 V499 G501 N502 S506 L510 R523	L301-A504 HydrophobicContact CB-CB 4.38Å; L301-A504 HydrophobicContact CD1-CB 4.02Å; V499-A504 HydrophobicContact CB-CB 4.25Å; V499-A504 HydrophobicContact CG2-CB 4.33Å; G501-A504 VanDerWaalsContact O-CB 3.28Å; G501-A504 WeakPolarHBondContact O-CB 3.48Å; G501-A504 PolarHBondContact O-N 3.06Å; N502-A504 PolarHBondContact O-N 3.34Å; A504-S506 PolarHBondContact O-N 3.38Å; A504-L510 HydrophobicContact CB-CD1 4.46Å; A504-L510 HydrophobicContact CB-CD2 4.39Å; A504-L510 WeakPolarHBondContact O-CD1 3.31Å; A504-R523 WeakPolarHBondContact O-CD 3.39Å; A504-R523 PolarHBondContact O-NH1 3.05Å
505	R	91.4	Very high	94.8	Very high	145 Å²	145	25.8 Å²	25.8	55%	0.547	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-67.2	-22.3	173.5	-66.8	-178.5	176.4	-166.3	-2.6	113.1	N502 V503 N507 R523	N502-R505 VanDerWaalsContact O-CB 3.29Å; N502-R505 WeakPolarHBondContact O-CB 3.29Å; N502-R505 WeakPolarHBondContact O-CG 3.35Å; N502-R505 PolarHBondContact O-N 3.35Å; N502-R505 VanDerWaalsContact O-N 3.14Å; V503-R505 PolarHBondContact O-N 2.82Å; V503-R505 VanDerWaalsContact O-N 3.09Å; R505-N507 PolarHBondContact O-N 3.05Å; R505-R523 VanDerWaalsContact CA-NH1 3.29Å; R505-R523 PolarHBondContact O-NH1 2.96Å
506	S	94.2	Very high	95	Very high	16 Å²	16	21.7 Å²	21.7	11%	0.112	11%	0.111	C	C	.	.			trans	-69.6	107.6	176.9	171.1	0	0	0	0	111.3	E399 V503 A504 W508 L509 L510	E399-S506 WeakPolarHBondContact OE1-CA 3.32Å; E399-S506 WeakPolarHBondContact OE1-CB 3.35Å; E399-S506 PolarHBondContact OE1-OG 3.05Å; V503-S506 PolarHBondContact O-N 2.87Å; A504-S506 PolarHBondContact O-N 3.38Å; S506-W508 VanDerWaalsContact C-N 3.31Å; S506-L509 PolarHBondContact O-N 3.45Å; S506-L509 WeakPolarHBondContact OG-CB 3.14Å; S506-L509 PolarHBondContact OG-N 3.28Å; S506-L510 WeakPolarHBondContact O-CG 3.14Å; S506-L510 PolarHBondContact O-N 2.89Å; S506-L510 VanDerWaalsContact O-N 3.16Å
507	N	96.2	Very high	95.1	Very high	41 Å²	41	21.3 Å²	21.3	22%	0.219	11%	0.109	C	C	.	.	H	α-helix	trans	-66.9	-38.8	177.6	-72.8	-15.3	0	0	0	110.4	E399 R505 L510 Q511 R523 R590 F592	E399-N507 PolarHBondContact OE1-N 3.46Å; E399-N507 PolarHBondContact OE2-N 3.3Å; R505-N507 PolarHBondContact O-N 3.05Å; N507-L510 PolarHBondContact O-N 3.29Å; N507-Q511 WeakPolarHBondContact O-CB 3.14Å; N507-Q511 PolarHBondContact O-N 3.03Å; N507-R523 PolarHBondContact OD1-NH1 3.29Å; N507-R523 PolarHBondContact OD1-NH2 3.33Å; N507-R590 PolarHBondContact ND2-NH1 3.16Å; N507-F592 HydrophobicContact CB-CE1 4Å; N507-F592 HydrophobicContact CB-CZ 4.15Å; N507-F592 WeakPolarHBondContact O-CE1 3.15Å
508	W	96.8	Very high	95.2	Very high	8 Å²	8	22.8 Å²	22.8	3%	0.03	13%	0.125	C	C	.	.	H	α-helix	trans	-58.5	-49.2	176.5	-174.6	92.4	0	0	0	111.7	E399 L402 Y403 D406 I472 S506 L510 Q511 R512	E399-W508 PolarHBondContact OE1-N 3.03Å; E399-W508 PolarHBondContact OE2-N 3.26Å; L402-W508 HydrophobicContact CB-CB 4.24Å; L402-W508 HydrophobicContact CB-CD2 3.67Å; L402-W508 HydrophobicContact CB-CE3 4.2Å; L402-W508 HydrophobicContact CB-CG 3.63Å; L402-W508 HydrophobicContact CD1-CB 4.27Å; L402-W508 HydrophobicContact CD1-CD2 3.97Å; L402-W508 HydrophobicContact CD1-CE3 3.69Å; L402-W508 HydrophobicContact CD1-CG 4.19Å; L402-W508 HydrophobicContact CD1-CZ3 4.43Å; L402-W508 HydrophobicContact CD2-CD2 4.18Å; L402-W508 HydrophobicContact CD2-CE3 3.92Å; L402-W508 HydrophobicContact CD2-CH2 4.22Å; L402-W508 HydrophobicContact CD2-CZ2 4.47Å; L402-W508 HydrophobicContact CD2-CZ3 3.93Å; L402-W508 HydrophobicContact CG-CD2 4.15Å; L402-W508 HydrophobicContact CG-CE3 4.15Å; L402-W508 HydrophobicContact CG-CG 4.45Å; Y403-W508 AromaticContact CD1-CD1 3.94Å; Y403-W508 HydrophobicContact CE1-CB 4.48Å; Y403-W508 AromaticContact CE1-CD1 3.94Å; Y403-W508 HydrophobicContact CE2-CB 4.26Å; Y403-W508 PolarHBondContact OH-N 3.1Å; D406-W508 PolarHBondContact OD2-NE1 3.38Å; I472-W508 HydrophobicContact CB-CZ3 4.11Å; I472-W508 HydrophobicContact CG2-CE3 3.84Å; I472-W508 HydrophobicContact CG2-CZ3 3.62Å; S506-W508 VanDerWaalsContact C-N 3.31Å; W508-L510 PolarHBondContact O-N 3.03Å; W508-Q511 PolarHBondContact O-N 3.15Å; W508-R512 HydrophobicContact CE3-CB 4.22Å; W508-R512 HydrophobicContact CH2-CB 4.04Å; W508-R512 HydrophobicContact CH2-CG 3.76Å; W508-R512 HydrophobicContact CZ2-CB 4.38Å; W508-R512 HydrophobicContact CZ2-CG 4.37Å; W508-R512 HydrophobicContact CZ3-CB 3.95Å; W508-R512 HydrophobicContact CZ3-CG 3.93Å; W508-R512 WeakPolarHBondContact O-CB 3.46Å; W508-R512 PolarHBondContact O-N 3.11Å
509	L	97.5	Very high	95.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.6	-42.5	179.6	172	60	0	0	0	111.7	I472 I475 A476 V503 S506 R512 M513	I472-L509 HydrophobicContact CG2-CB 4.03Å; I472-L509 HydrophobicContact CG2-CD1 3.89Å; I472-L509 HydrophobicContact CG2-CD2 4.45Å; I472-L509 HydrophobicContact CG2-CG 4.33Å; I472-L509 WeakPolarHBondContact O-CD1 3.16Å; I475-L509 HydrophobicContact CB-CD1 3.99Å; I475-L509 HydrophobicContact CD1-CD2 4.23Å; I475-L509 HydrophobicContact CG2-CD1 4.19Å; I475-L509 HydrophobicContact CG2-CD2 4.19Å; A476-L509 HydrophobicContact CB-CD1 4.41Å; V503-L509 HydrophobicContact CG1-CD2 3.51Å; S506-L509 PolarHBondContact O-N 3.45Å; S506-L509 WeakPolarHBondContact OG-CB 3.14Å; S506-L509 PolarHBondContact OG-N 3.28Å; L509-R512 PolarHBondContact O-N 2.9Å; L509-M513 HydrophobicContact CD1-CE 4.39Å; L509-M513 HydrophobicContact CG-CE 4.48Å; L509-M513 WeakPolarHBondContact O-CB 3.5Å; L509-M513 PolarHBondContact O-N 3.28Å
510	L	98	Very high	95.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.3	-37.6	-179.8	-66.4	-169.2	0	0	0	112.2	L301 V499 A504 S506 N507 W508 M513 S514 V521 R523 F592	L301-L510 HydrophobicContact CD1-CD2 3.97Å; V499-L510 HydrophobicContact CB-CD2 4.23Å; V499-L510 HydrophobicContact CG1-CD2 4.26Å; V499-L510 HydrophobicContact CG2-CD1 3.66Å; V499-L510 HydrophobicContact CG2-CD2 3.74Å; V499-L510 HydrophobicContact CG2-CG 4.33Å; A504-L510 HydrophobicContact CB-CD1 4.46Å; A504-L510 HydrophobicContact CB-CD2 4.39Å; A504-L510 WeakPolarHBondContact O-CD1 3.31Å; S506-L510 WeakPolarHBondContact O-CG 3.14Å; S506-L510 PolarHBondContact O-N 2.89Å; S506-L510 VanDerWaalsContact O-N 3.16Å; N507-L510 PolarHBondContact O-N 3.29Å; W508-L510 PolarHBondContact O-N 3.03Å; L510-M513 PolarHBondContact O-N 3.06Å; L510-S514 PolarHBondContact O-N 2.92Å; L510-V521 HydrophobicContact CB-CG1 4.31Å; L510-V521 HydrophobicContact CD2-CG1 4.08Å; L510-R523 HydrophobicContact CD1-CB 3.91Å; L510-F592 HydrophobicContact CB-CD1 4.24Å; L510-F592 HydrophobicContact CB-CD2 3.69Å; L510-F592 HydrophobicContact CB-CE1 4.16Å; L510-F592 HydrophobicContact CB-CE2 3.62Å; L510-F592 HydrophobicContact CB-CG 4.01Å; L510-F592 HydrophobicContact CB-CZ 3.84Å; L510-F592 HydrophobicContact CD1-CD2 4.05Å; L510-F592 HydrophobicContact CD1-CE2 3.43Å; L510-F592 VanDerWaalsContact CD1-CE2 3.43Å; L510-F592 HydrophobicContact CD1-CZ 4Å; L510-F592 HydrophobicContact CG-CE2 4.18Å
511	Q	98.1	Very high	95.6	Very high	34 Å²	34	24.1 Å²	24.1	16%	0.159	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-49.3	172.5	-170.4	55.3	64.6	0	0	111.3	N507 W508 M513 S514 N515 F592 M593 E595	N507-Q511 WeakPolarHBondContact O-CB 3.14Å; N507-Q511 PolarHBondContact O-N 3.03Å; W508-Q511 PolarHBondContact O-N 3.15Å; Q511-M513 PolarHBondContact O-N 3.19Å; Q511-S514 WeakPolarHBondContact O-CB 3.46Å; Q511-S514 PolarHBondContact O-N 3.43Å; Q511-S514 VanDerWaalsContact O-N 3.13Å; Q511-N515 PolarHBondContact NE2-OD1 2.69Å; Q511-N515 VanDerWaalsContact O-CG 3.27Å; Q511-N515 PolarHBondContact O-N 3.38Å; Q511-N515 PolarHBondContact O-OD1 2.97Å; Q511-F592 HydrophobicContact CB-CD1 3.95Å; Q511-M593 PolarHBondContact NE2-O 3.35Å; Q511-E595 HydrophobicContact CG-CG 4.33Å; Q511-E595 WeakPolarHBondContact CG-OE2 3.35Å
512	R	97.7	Very high	95.9	Very high	10 Å²	10	22.5 Å²	22.5	4%	0.038	12%	0.117	C	C	.	.	H	α-helix	trans	-54.8	-41.6	174	178.8	61.4	58.5	144.1	-10.3	111.7	D406 D411 E473 A476 W508 L509 T516	D406-R512 IonicContact OD1-NH2 2.88Å; D406-R512 PolarHBondContact OD1-NH2 3.14Å; D411-R512 IonicContact OD1-CZ 3.87Å; D411-R512 IonicContact OD1-NH1 3.08Å; D411-R512 PolarHBondContact OD1-NH1 3.07Å; D411-R512 IonicContact OD1-NH2 3.96Å; D411-R512 PolarHBondContact OD1-NH2 3.39Å; D411-R512 IonicContact OD2-CZ 3.41Å; D411-R512 IonicContact OD2-NH1 2.66Å; D411-R512 PolarHBondContact OD2-NH1 3.23Å; D411-R512 IonicContact OD2-NH2 3.84Å; D411-R512 PolarHBondContact OD2-NH2 2.93Å; E473-R512 IonicContact OE1-NH1 3.68Å; E473-R512 PolarHBondContact OE1-NH1 3.32Å; A476-R512 HydrophobicContact CB-CG 4.02Å; W508-R512 HydrophobicContact CE3-CB 4.22Å; W508-R512 HydrophobicContact CH2-CB 4.04Å; W508-R512 HydrophobicContact CH2-CG 3.76Å; W508-R512 HydrophobicContact CZ2-CB 4.38Å; W508-R512 HydrophobicContact CZ2-CG 4.37Å; W508-R512 HydrophobicContact CZ3-CB 3.95Å; W508-R512 HydrophobicContact CZ3-CG 3.93Å; W508-R512 WeakPolarHBondContact O-CB 3.46Å; W508-R512 PolarHBondContact O-N 3.11Å; L509-R512 PolarHBondContact O-N 2.9Å; R512-T516 WeakPolarHBondContact O-CB 3.37Å; R512-T516 PolarHBondContact O-N 3.28Å; R512-T516 PolarHBondContact O-OG1 3.16Å
513	M	98.1	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-49.7	177.1	-171.9	175.6	-60.3	0	0	110.9	L299 L301 I475 A476 T479 L497 L509 L510 Q511 N515 T516 I517 V521	L299-M513 HydrophobicContact CD2-CE 4.21Å; L299-M513 HydrophobicContact CD2-SD 3.93Å; L301-M513 HydrophobicContact CD1-CE 3.99Å; L301-M513 HydrophobicContact CD2-CE 4.32Å; I475-M513 HydrophobicContact CG2-CE 4.37Å; A476-M513 HydrophobicContact CB-CB 4.16Å; T479-M513 HydrophobicContact CG2-CG 4.18Å; T479-M513 HydrophobicContact CG2-SD 3.85Å; T479-M513 VanDerWaalsContact OG1-CE 3.3Å; T479-M513 WeakPolarHBondContact OG1-CE 3.4Å; L497-M513 HydrophobicContact CD2-SD 3.89Å; L509-M513 HydrophobicContact CD1-CE 4.39Å; L509-M513 HydrophobicContact CG-CE 4.48Å; L509-M513 WeakPolarHBondContact O-CB 3.5Å; L509-M513 PolarHBondContact O-N 3.28Å; L510-M513 PolarHBondContact O-N 3.06Å; Q511-M513 PolarHBondContact O-N 3.19Å; M513-N515 PolarHBondContact O-N 3.23Å; M513-T516 WeakPolarHBondContact O-CB 3.12Å; M513-T516 PolarHBondContact O-N 3.42Å; M513-T516 VanDerWaalsContact O-N 3.14Å; M513-I517 HydrophobicContact CG-CD1 4.48Å; M513-I517 HydrophobicContact CG-CG2 4.35Å; M513-I517 VanDerWaalsContact O-CG1 3.29Å; M513-I517 WeakPolarHBondContact O-CG1 3.5Å; M513-I517 PolarHBondContact O-N 3.36Å; M513-V521 HydrophobicContact CB-CG2 4.42Å; M513-V521 HydrophobicContact CG-CG2 4.22Å
514	S	98.3	Very high	96.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-55.3	-47.9	177.2	-168.1	0	0	0	0	112.1	L510 Q511 T516 I517 G518 I519 F592 M593 P594	L510-S514 PolarHBondContact O-N 2.92Å; Q511-S514 WeakPolarHBondContact O-CB 3.46Å; Q511-S514 PolarHBondContact O-N 3.43Å; Q511-S514 VanDerWaalsContact O-N 3.13Å; S514-T516 VanDerWaalsContact C-N 3.34Å; S514-T516 PolarHBondContact O-N 3.42Å; S514-I517 PolarHBondContact O-N 3.45Å; S514-G518 WeakPolarHBondContact O-CA 3.43Å; S514-G518 PolarHBondContact O-N 3.49Å; S514-I519 PolarHBondContact OG-O 3.09Å; S514-I519 VanDerWaalsContact OG-O 3.08Å; S514-F592 WeakPolarHBondContact CB-O 3.47Å; S514-F592 PolarHBondContact OG-O 3.49Å; S514-M593 VanDerWaalsContact OG-C 3.32Å; S514-P594 WeakPolarHBondContact OG-CD 3.42Å; S514-P594 VanDerWaalsContact OG-N 3.15Å
515	N	98.1	Very high	95.7	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-61.1	-42.2	176.6	-60.1	-14.9	0	0	0	112.3	Q511 M513 E595 I603	Q511-N515 PolarHBondContact NE2-OD1 2.69Å; Q511-N515 VanDerWaalsContact O-CG 3.27Å; Q511-N515 PolarHBondContact O-N 3.38Å; Q511-N515 PolarHBondContact O-OD1 2.97Å; M513-N515 PolarHBondContact O-N 3.23Å; N515-E595 PolarHBondContact ND2-OE2 2.96Å; N515-E595 PolarHBondContact OD1-N 2.78Å; N515-I603 HydrophobicContact CB-CD1 3.63Å
516	T	97.8	Very high	95.5	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.3	-49.3	179.8	-56.3	0	0	0	0	111.1	F477 K480 R512 M513 S514 I603	F477-T516 HydrophobicContact CD1-CG2 3.63Å; F477-T516 HydrophobicContact CE1-CG2 4.06Å; K480-T516 HydrophobicContact CB-CG2 3.84Å; K480-T516 HydrophobicContact CG-CG2 4.35Å; R512-T516 WeakPolarHBondContact O-CB 3.37Å; R512-T516 PolarHBondContact O-N 3.28Å; R512-T516 PolarHBondContact O-OG1 3.16Å; M513-T516 WeakPolarHBondContact O-CB 3.12Å; M513-T516 PolarHBondContact O-N 3.42Å; M513-T516 VanDerWaalsContact O-N 3.14Å; S514-T516 VanDerWaalsContact C-N 3.34Å; S514-T516 PolarHBondContact O-N 3.42Å; T516-I603 VanDerWaalsContact OG1-CG2 3.31Å; T516-I603 WeakPolarHBondContact OG1-CG2 3.48Å
517	I	97.1	Very high	95.1	Very high	9 Å²	9	17.6 Å²	17.6	5%	0.046	10%	0.096	C	C	.	.	H	α-helix	trans	-75.8	-29.4	-175.7	69.9	179.3	0	0	0	112.5	T479 K480 L483 L497 M513 S514 I519 V521	T479-I517 HydrophobicContact CG2-CG2 4.02Å; K480-I517 HydrophobicContact CB-CG2 4.19Å; K480-I517 HydrophobicContact CD-CB 4.38Å; K480-I517 HydrophobicContact CD-CG2 4.25Å; K480-I517 PolarHBondContact NZ-O 3.2Å; L483-I517 HydrophobicContact CD1-CB 4.26Å; L483-I517 HydrophobicContact CD1-CD1 4.36Å; L483-I517 HydrophobicContact CD1-CG2 4Å; L497-I517 HydrophobicContact CB-CD1 4Å; L497-I517 HydrophobicContact CD2-CD1 3.75Å; M513-I517 HydrophobicContact CG-CD1 4.48Å; M513-I517 HydrophobicContact CG-CG2 4.35Å; M513-I517 VanDerWaalsContact O-CG1 3.29Å; M513-I517 WeakPolarHBondContact O-CG1 3.5Å; M513-I517 PolarHBondContact O-N 3.36Å; S514-I517 PolarHBondContact O-N 3.45Å; I517-I519 HydrophobicContact CB-CG1 4.38Å; I517-I519 HydrophobicContact CD1-CD1 4.02Å; I517-I519 HydrophobicContact CD1-CG1 3.41Å; I517-I519 VanDerWaalsContact CD1-CG1 3.41Å; I517-I519 HydrophobicContact CG1-CG1 3.59Å; I517-V521 HydrophobicContact CD1-CG2 3.59Å; I517-V521 HydrophobicContact CG1-CG2 4.4Å
518	G	96.5	Very high	94.8	Very high	32 Å²	32	18.5 Å²	18.5	33%	0.33	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	21.1	179.7	0	0	0	0	0	113.8	S514	S514-G518 WeakPolarHBondContact O-CA 3.43Å; S514-G518 PolarHBondContact O-N 3.49Å
519	I	96.4	Very high	94.7	Very high	34 Å²	34	18.7 Å²	18.7	17%	0.174	10%	0.102	C	C	.	.	S	Bend	trans	-137.3	155.3	174.6	62.7	171.2	0	0	0	109	P494 L497 S514 I517	P494-I519 HydrophobicContact CB-CD1 4.17Å; P494-I519 HydrophobicContact CG-CD1 3.89Å; P494-I519 WeakPolarHBondContact O-CD1 3.41Å; L497-I519 HydrophobicContact CB-CD1 4.38Å; S514-I519 PolarHBondContact OG-O 3.09Å; S514-I519 VanDerWaalsContact OG-O 3.08Å; I517-I519 HydrophobicContact CB-CG1 4.38Å; I517-I519 HydrophobicContact CD1-CD1 4.02Å; I517-I519 HydrophobicContact CD1-CG1 3.41Å; I517-I519 VanDerWaalsContact CD1-CG1 3.41Å; I517-I519 HydrophobicContact CG1-CG1 3.59Å
520	P	97.3	Very high	94.5	Very high	28 Å²	28	19.6 Å²	19.6	18%	0.182	11%	0.108	C	C	.	.			trans	-53.1	140.2	175.2	-27.2	34.3	0	0	0	113.5	S495 I496 L497 R591 F592 M593	S495-P520 WeakPolarHBondContact O-CD 3.47Å; I496-P520 WeakPolarHBondContact CA-O 3.43Å; I496-P520 HydrophobicContact CD1-CB 4.42Å; I496-P520 HydrophobicContact CG1-CB 4.21Å; L497-P520 PolarHBondContact N-O 3.38Å; P520-R591 HydrophobicContact CB-CG 4.42Å; P520-F592 WeakPolarHBondContact CA-O 3.41Å; P520-M593 HydrophobicContact CB-SD 3.95Å; P520-M593 HydrophobicContact CG-CE 3.92Å; P520-M593 HydrophobicContact CG-SD 3.72Å
521	V	97.5	Very high	94.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.8	170.2	175.6	0	0	0	0	108.1	L497 V499 L510 M513 I517 F592	L497-V521 HydrophobicContact CB-CG2 4.35Å; L497-V521 HydrophobicContact CD2-CG2 4.47Å; L497-V521 CarbonylContact O-C 3.5Å; L497-V521 VanDerWaalsContact O-CA 3.32Å; L497-V521 WeakPolarHBondContact O-CA 3.49Å; V499-V521 HydrophobicContact CB-CG1 4.33Å; V499-V521 HydrophobicContact CG1-CG1 3.66Å; V499-V521 HydrophobicContact CG2-CG1 3.66Å; L510-V521 HydrophobicContact CB-CG1 4.31Å; L510-V521 HydrophobicContact CD2-CG1 4.08Å; M513-V521 HydrophobicContact CB-CG2 4.42Å; M513-V521 HydrophobicContact CG-CG2 4.22Å; I517-V521 HydrophobicContact CD1-CG2 3.59Å; I517-V521 HydrophobicContact CG1-CG2 4.4Å; V521-F592 HydrophobicContact CB-CB 4.41Å; V521-F592 PolarHBondContact N-O 2.75Å; V521-F592 PolarHBondContact O-N 3.07Å
522	E	95.3	Very high	94.4	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.9	-176.9	179.5	174.8	125.2	0	0	111.8	I496 L497 Y498 V499 R524 Y589 R591	I496-E522 HydrophobicContact CD1-CB 3.94Å; I496-E522 WeakPolarHBondContact CD1-OE2 3.19Å; I496-E522 HydrophobicContact CG1-CB 4.39Å; L497-E522 PolarHBondContact O-N 3.41Å; Y498-E522 CarbonylContact C-O 3.53Å; Y498-E522 WeakPolarHBondContact CA-O 3.32Å; Y498-E522 HydrophobicContact CD1-CB 4.04Å; Y498-E522 HydrophobicContact CD1-CG 4.28Å; Y498-E522 HydrophobicContact CE1-CB 4.32Å; Y498-E522 HydrophobicContact CE1-CG 4.43Å; Y498-E522 WeakPolarHBondContact CE1-OE1 3.41Å; V499-E522 WeakPolarHBondContact CG2-O 3.25Å; V499-E522 PolarHBondContact N-O 2.96Å; E522-R524 IonicContact OE1-CZ 2.92Å; E522-R524 IonicContact OE1-NE 3.2Å; E522-R524 IonicContact OE1-NH1 3.32Å; E522-R524 IonicContact OE1-NH2 3.3Å; E522-R524 PolarHBondContact OE1-NH2 3.49Å; E522-Y589 HydrophobicContact CG-CE2 4.37Å; E522-R591 HydrophobicContact CB-CG 4.45Å; E522-R591 HydrophobicContact CG-CB 4.5Å; E522-R591 IonicContact OE2-CZ 3.05Å; E522-R591 IonicContact OE2-NE 3.67Å; E522-R591 PolarHBondContact OE2-NE 2.98Å; E522-R591 IonicContact OE2-NH2 3.59Å; E522-R591 PolarHBondContact OE2-NH2 3.47Å
523	R	94.3	Very high	94.4	Very high	13 Å²	13	17.9 Å²	17.9	5%	0.049	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.4	169.5	-176.9	174.8	69.4	-156	0.6	108.6	V499 A504 R505 N507 L510 L588 Y589 R590	V499-R523 HydrophobicContact CG2-CB 3.9Å; A504-R523 WeakPolarHBondContact O-CD 3.39Å; A504-R523 PolarHBondContact O-NH1 3.05Å; R505-R523 VanDerWaalsContact CA-NH1 3.29Å; R505-R523 PolarHBondContact O-NH1 2.96Å; N507-R523 PolarHBondContact OD1-NH1 3.29Å; N507-R523 PolarHBondContact OD1-NH2 3.33Å; L510-R523 HydrophobicContact CD1-CB 3.91Å; R523-L588 VanDerWaalsContact CZ-O 3.3Å; R523-L588 PolarHBondContact NE-O 2.93Å; R523-L588 PolarHBondContact NH2-O 3.27Å; R523-Y589 WeakPolarHBondContact O-CA 3.24Å; R523-R590 PolarHBondContact N-O 3.23Å; R523-R590 PolarHBondContact O-N 3.16Å
524	R	88.4	Confident	94.4	Very high	30 Å²	30	17.9 Å²	17.9	11%	0.113	10%	0.101	C	C	.	.			trans	-84.8	-20.8	179	-65.4	-167.8	-176.6	-88.6	-16.3	115	E289 E522 L526 H556	E289-R524 PolarHBondContact O-NE 2.89Å; E289-R524 PolarHBondContact O-NH2 3.29Å; E289-R524 WeakPolarHBondContact OE2-CB 3.46Å; E289-R524 VanDerWaalsContact OE2-CD 3.27Å; E289-R524 WeakPolarHBondContact OE2-CD 3.48Å; E289-R524 VanDerWaalsContact OE2-CG 3.28Å; E289-R524 WeakPolarHBondContact OE2-CG 3.47Å; E289-R524 IonicContact OE2-NE 3.79Å; E522-R524 IonicContact OE1-CZ 2.92Å; E522-R524 IonicContact OE1-NE 3.2Å; E522-R524 IonicContact OE1-NH1 3.32Å; E522-R524 IonicContact OE1-NH2 3.3Å; E522-R524 PolarHBondContact OE1-NH2 3.49Å; R524-L526 VanDerWaalsContact C-N 3.27Å; R524-L526 HydrophobicContact CB-CD1 4.24Å; R524-L526 HydrophobicContact CB-CG 3.98Å; R524-L526 PolarHBondContact O-N 3.39Å; R524-H556 PolarHBondContact NH1-CD2 2.86Å; R524-H556 PolarHBondContact NH1-NE2 3.42Å
525	G	84.8	Confident	94.4	Very high	10 Å²	10	17.9 Å²	17.9	10%	0.103	10%	0.101	C	C	.	.			trans	72.9	16.2	179.7	0	0	0	0	0	114.7	S585	G525-S585 WeakPolarHBondContact O-CA 3.44Å; G525-S585 WeakPolarHBondContact O-CB 3.21Å
526	L	87.1	Confident	94.4	Very high	26 Å²	26	17.8 Å²	17.8	14%	0.136	10%	0.1	C	C	.	.			trans	-70.5	136.5	177.2	-59.8	174.9	0	0	0	110.8	R524 C529 L532 L555 L559	R524-L526 VanDerWaalsContact C-N 3.27Å; R524-L526 HydrophobicContact CB-CD1 4.24Å; R524-L526 HydrophobicContact CB-CG 3.98Å; R524-L526 PolarHBondContact O-N 3.39Å; L526-C529 PolarHBondContact O-SG 3.02Å; L526-L532 HydrophobicContact CD1-CD2 4.48Å; L526-L555 HydrophobicContact CD1-CD2 4.4Å; L526-L559 HydrophobicContact CD2-CD1 3.57Å
527	E	85.6	Confident	94.4	Very high	90 Å²	90	17.8 Å²	17.8	42%	0.421	10%	0.1	S	C	.	.	S	Bend	trans	-92.8	148.3	173.9	-62.6	-172.5	161.1	0	0	110.7	C529	E527-C529 VanDerWaalsContact C-N 3.29Å; E527-C529 PolarHBondContact O-N 3.44Å
528	E	90.8	Very high	94.5	Very high	61 Å²	61	17.3 Å²	17.3	29%	0.285	10%	0.098	S	C	.	.	S	Bend	trans	44.3	49.6	179.8	-51.7	-57.5	169.4	0	0	114.2	H30 C32 R34 S530 C531 L532	H30-E528 IonicContact NE2-OE1 3.29Å; C32-E528 HydrophobicContact CB-CG 4.5Å; R34-E528 IonicContact NH2-OE1 3.02Å; R34-E528 PolarHBondContact NH2-OE1 3.02Å; E528-S530 PolarHBondContact O-N 3.42Å; E528-C531 HydrophobicContact CB-CB 3.9Å; E528-C531 WeakPolarHBondContact O-CA 3.49Å; E528-C531 WeakPolarHBondContact O-CB 3.45Å; E528-C531 PolarHBondContact O-N 2.98Å; E528-L532 PolarHBondContact O-N 2.86Å
529	C	93.1	Very high	94.5	Very high	12 Å²	12	15.8 Å²	15.8	8%	0.081	8%	0.082	C	C	.	.	H	α-helix	trans	-50.5	-33.1	-177.2	-64.5	0	0	0	0	113.4	A285 T288 E289 L526 E527 G533	A285-C529 HydrophobicContact CB-CB 3.78Å; T288-C529 WeakPolarHBondContact CG2-O 3.44Å; T288-C529 WeakPolarHBondContact OG1-CB 3.43Å; E289-C529 PolarHBondContact OE1-SG 2.91Å; L526-C529 PolarHBondContact O-SG 3.02Å; E527-C529 VanDerWaalsContact C-N 3.29Å; E527-C529 PolarHBondContact O-N 3.44Å; C529-G533 PolarHBondContact O-N 3.05Å
530	S	95.1	Very high	94.5	Very high	19 Å²	19	14.6 Å²	14.6	13%	0.133	8%	0.076	C	C	.	.	H	α-helix	trans	-69.3	-44.4	175.9	-54.8	0	0	0	0	112.5	D25 D281 E528 L532 G533 A534	D25-S530 WeakPolarHBondContact OD1-CB 3.25Å; D25-S530 VanDerWaalsContact OD2-CB 3.23Å; D25-S530 WeakPolarHBondContact OD2-CB 3.32Å; D281-S530 PolarHBondContact O-OG 3Å; E528-S530 PolarHBondContact O-N 3.42Å; S530-L532 VanDerWaalsContact C-N 3.34Å; S530-L532 PolarHBondContact O-N 2.67Å; S530-G533 PolarHBondContact O-N 2.88Å; S530-A534 PolarHBondContact O-N 3.36Å
531	C	96.5	Very high	94.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.5	-44.2	174.7	-91	0	0	0	0	110.5	D25 C32 R34 E528 A534 A535	D25-C531 HydrophobicContact CB-CB 4.29Å; D25-C531 VanDerWaalsContact CB-SG 3.56Å; D25-C531 PolarHBondContact N-SG 3.4Å; C32-C531 WeakPolarHBondContact CB-SG 3.44Å; C32-C531 PolarHBondContact O-SG 3.02Å; C32-C531 WeakPolarHBondContact SG-CB 3.23Å; C32-C531 CovalentContact SG-SG 2.08Å; C32-C531 PolarHBondContact SG-SG 2.74Å; R34-C531 HydrophobicContact CG-CB 3.93Å; E528-C531 HydrophobicContact CB-CB 3.9Å; E528-C531 WeakPolarHBondContact O-CA 3.49Å; E528-C531 WeakPolarHBondContact O-CB 3.45Å; E528-C531 PolarHBondContact O-N 2.98Å; C531-A534 WeakPolarHBondContact O-CB 3.4Å; C531-A534 PolarHBondContact O-N 2.9Å; C531-A535 PolarHBondContact O-N 3.14Å; C531-A535 VanDerWaalsContact O-N 3.1Å
532	L	96.9	Very high	94.4	Very high	8 Å²	8	13.2 Å²	13.2	4%	0.042	7%	0.067	C	C	.	.	H	α-helix	trans	-66.5	-38.6	176.9	177.3	59.7	0	0	0	112.1	Y36 L40 T288 L526 E528 S530 A534 A535 I536 L555	Y36-L532 HydrophobicContact CD1-CD1 4.19Å; Y36-L532 HydrophobicContact CE1-CB 4.49Å; Y36-L532 HydrophobicContact CE1-CD1 3.7Å; Y36-L532 WeakPolarHBondContact OH-CA 3.5Å; Y36-L532 PolarHBondContact OH-N 3.16Å; L40-L532 HydrophobicContact CB-CD1 4.05Å; L40-L532 HydrophobicContact CD1-CD1 4.4Å; L40-L532 HydrophobicContact CD2-CD1 3.94Å; L40-L532 HydrophobicContact CG-CD1 4.36Å; T288-L532 HydrophobicContact CG2-CB 3.87Å; T288-L532 HydrophobicContact CG2-CD2 4.11Å; T288-L532 HydrophobicContact CG2-CG 3.75Å; L526-L532 HydrophobicContact CD1-CD2 4.48Å; E528-L532 PolarHBondContact O-N 2.86Å; S530-L532 VanDerWaalsContact C-N 3.34Å; S530-L532 PolarHBondContact O-N 2.67Å; L532-A534 VanDerWaalsContact C-N 3.34Å; L532-A535 PolarHBondContact O-N 2.8Å; L532-I536 HydrophobicContact CG-CD1 4.38Å; L532-I536 WeakPolarHBondContact O-CG1 3.33Å; L532-I536 PolarHBondContact O-N 2.65Å; L532-L555 HydrophobicContact CD2-CD1 4.17Å; L532-L555 HydrophobicContact CD2-CD2 3.7Å; L532-L555 HydrophobicContact CG-CD2 4.43Å
533	G	97.4	Very high	94.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.5	-41.1	175.8	0	0	0	0	0	111.7	C529 S530 A535 I536 V537	C529-G533 PolarHBondContact O-N 3.05Å; S530-G533 PolarHBondContact O-N 2.88Å; G533-A535 VanDerWaalsContact C-N 3.35Å; G533-A535 PolarHBondContact O-N 2.94Å; G533-I536 PolarHBondContact O-N 3.24Å; G533-V537 VanDerWaalsContact O-CG2 3.24Å; G533-V537 WeakPolarHBondContact O-CG2 3.26Å; G533-V537 PolarHBondContact O-N 3.3Å
534	A	98.5	Very high	94.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.7	-44.2	173.3	0	0	0	0	0	111.8	G93 S530 C531 L532 V537 A538	G93-A534 WeakPolarHBondContact CA-O 3.5Å; S530-A534 PolarHBondContact O-N 3.36Å; C531-A534 WeakPolarHBondContact O-CB 3.4Å; C531-A534 PolarHBondContact O-N 2.9Å; L532-A534 VanDerWaalsContact C-N 3.34Å; A534-V537 PolarHBondContact O-N 3.24Å; A534-A538 WeakPolarHBondContact O-CB 3.05Å; A534-A538 PolarHBondContact O-N 2.68Å
535	A	98.3	Very high	94.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63	-42.6	176.1	0	0	0	0	0	112.5	I21 Y36 L40 C531 L532 G533 V537 A538 G539	I21-A535 HydrophobicContact CG2-CB 3.8Å; I21-A535 WeakPolarHBondContact CG2-O 3.14Å; Y36-A535 HydrophobicContact CD2-CB 3.49Å; Y36-A535 VanDerWaalsContact CD2-CB 3.49Å; Y36-A535 HydrophobicContact CE2-CB 3.64Å; Y36-A535 HydrophobicContact CG-CB 4.32Å; L40-A535 HydrophobicContact CD2-CB 4.3Å; C531-A535 PolarHBondContact O-N 3.14Å; C531-A535 VanDerWaalsContact O-N 3.1Å; L532-A535 PolarHBondContact O-N 2.8Å; G533-A535 VanDerWaalsContact C-N 3.35Å; G533-A535 PolarHBondContact O-N 2.94Å; A535-V537 VanDerWaalsContact C-N 3.33Å; A535-V537 PolarHBondContact O-N 2.9Å; A535-A538 PolarHBondContact O-N 3.03Å; A535-G539 PolarHBondContact O-N 2.94Å
536	I	97.8	Very high	95	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-45.9	174.7	-69.6	169.5	0	0	0	110.6	L40 L287 T288 L532 G533 A538 G539 V540 F548 A551 T552 L555	L40-I536 HydrophobicContact CD1-CD1 4.26Å; L40-I536 HydrophobicContact CD1-CG1 3.72Å; L40-I536 HydrophobicContact CD2-CG1 4.3Å; L287-I536 HydrophobicContact CD2-CB 3.82Å; L287-I536 HydrophobicContact CD2-CD1 3.88Å; L287-I536 HydrophobicContact CD2-CG1 4.47Å; L287-I536 HydrophobicContact CD2-CG2 3.4Å; T288-I536 HydrophobicContact CG2-CD1 4.1Å; L532-I536 HydrophobicContact CG-CD1 4.38Å; L532-I536 WeakPolarHBondContact O-CG1 3.33Å; L532-I536 PolarHBondContact O-N 2.65Å; G533-I536 PolarHBondContact O-N 3.24Å; I536-A538 VanDerWaalsContact C-N 3.31Å; I536-A538 PolarHBondContact O-N 3.21Å; I536-G539 PolarHBondContact O-N 3.42Å; I536-V540 WeakPolarHBondContact O-CG2 3.28Å; I536-V540 PolarHBondContact O-N 3.44Å; I536-F548 HydrophobicContact CG2-CD1 4.16Å; I536-A551 HydrophobicContact CG2-CB 3.53Å; I536-T552 HydrophobicContact CD1-CG2 4.15Å; I536-L555 HydrophobicContact CD1-CD2 4.42Å
537	V	98.2	Very high	95.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-42.3	179.8	176.2	0	0	0	0	111.2	S251 S252 I279 L287 G533 A534 A535 G541 F548	S251-V537 WeakPolarHBondContact O-CG1 3.04Å; S252-V537 VanDerWaalsContact CB-O 3.22Å; S252-V537 WeakPolarHBondContact CB-O 3.18Å; I279-V537 HydrophobicContact CB-CG2 4.3Å; I279-V537 HydrophobicContact CD1-CG2 3.68Å; I279-V537 HydrophobicContact CG2-CG2 4.19Å; L287-V537 HydrophobicContact CD1-CG2 3.82Å; G533-V537 VanDerWaalsContact O-CG2 3.24Å; G533-V537 WeakPolarHBondContact O-CG2 3.26Å; G533-V537 PolarHBondContact O-N 3.3Å; A534-V537 PolarHBondContact O-N 3.24Å; A535-V537 VanDerWaalsContact C-N 3.33Å; A535-V537 PolarHBondContact O-N 2.9Å; V537-G541 PolarHBondContact O-N 2.87Å; V537-F548 HydrophobicContact CB-CE1 4.36Å; V537-F548 HydrophobicContact CG1-CE1 4.46Å; V537-F548 HydrophobicContact CG2-CE1 3.99Å; V537-F548 HydrophobicContact CG2-CZ 4.43Å
538	A	98.2	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-45.5	175.4	0	0	0	0	0	112.8	I21 C91 I92 T276 A534 A535 I536 V540 G541 A542	I21-A538 HydrophobicContact CG2-CB 4.22Å; C91-A538 HydrophobicContact CB-CB 4.48Å; I92-A538 VanDerWaalsContact C-CB 3.49Å; T276-A538 WeakPolarHBondContact CB-O 3.21Å; T276-A538 WeakPolarHBondContact OG1-CA 3.11Å; T276-A538 PolarHBondContact OG1-O 3.47Å; A534-A538 WeakPolarHBondContact O-CB 3.05Å; A534-A538 PolarHBondContact O-N 2.68Å; A535-A538 PolarHBondContact O-N 3.03Å; I536-A538 VanDerWaalsContact C-N 3.31Å; I536-A538 PolarHBondContact O-N 3.21Å; A538-V540 VanDerWaalsContact C-N 3.35Å; A538-V540 PolarHBondContact O-N 3.37Å; A538-G541 CarbonylContact O-C 3.45Å; A538-G541 PolarHBondContact O-N 2.82Å; A538-G541 VanDerWaalsContact O-N 3.16Å; A538-A542 VanDerWaalsContact O-CB 3.31Å; A538-A542 WeakPolarHBondContact O-CB 3.42Å; A538-A542 PolarHBondContact O-N 2.84Å
539	G	97.2	Very high	95.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.7	-36	-179.1	0	0	0	0	0	113	A535 I536 A542 G543 L544	A535-G539 PolarHBondContact O-N 2.94Å; I536-G539 PolarHBondContact O-N 3.42Å; G539-A542 PolarHBondContact O-N 3.41Å; G539-G543 PolarHBondContact O-N 2.79Å; G539-L544 WeakPolarHBondContact O-CB 3.46Å; G539-L544 PolarHBondContact O-N 3Å
540	V	96.8	Very high	96	Very high	8 Å²	8	21 Å²	21	5%	0.048	13%	0.126	C	C	.	.	H	α-helix	trans	-65.2	-44	170.4	174.6	0	0	0	0	111	I536 A538 A542 G543 W545 F548 A551	I536-V540 WeakPolarHBondContact O-CG2 3.28Å; I536-V540 PolarHBondContact O-N 3.44Å; A538-V540 VanDerWaalsContact C-N 3.35Å; A538-V540 PolarHBondContact O-N 3.37Å; V540-A542 PolarHBondContact O-N 3.13Å; V540-G543 PolarHBondContact O-N 3.32Å; V540-G543 VanDerWaalsContact O-N 3.11Å; V540-W545 HydrophobicContact CG2-CB 4.18Å; V540-W545 HydrophobicContact CG2-CE3 4.49Å; V540-F548 HydrophobicContact CB-CD1 4.03Å; V540-F548 HydrophobicContact CB-CE1 3.84Å; V540-F548 HydrophobicContact CG1-CD1 4.21Å; V540-F548 HydrophobicContact CG1-CE1 3.96Å; V540-F548 HydrophobicContact CG2-CD1 3.64Å; V540-F548 HydrophobicContact CG2-CE1 4Å; V540-A551 HydrophobicContact CG2-CB 4.14Å
541	G	96.4	Very high	96	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.5	-27.8	178.6	0	0	0	0	0	113.2	Y334 V537 A538	Y334-G541 WeakPolarHBondContact CB-O 3.39Å; Y334-G541 PolarHBondContact N-O 3.16Å; V537-G541 PolarHBondContact O-N 2.87Å; A538-G541 CarbonylContact O-C 3.45Å; A538-G541 PolarHBondContact O-N 2.82Å; A538-G541 VanDerWaalsContact O-N 3.16Å
542	A	94.7	Very high	95.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-75.9	-30.9	173.5	0	0	0	0	0	111.9	C91 T276 F335 A538 G539 V540 L544	C91-A542 HydrophobicContact CB-CB 3.94Å; T276-A542 HydrophobicContact CG2-CB 4.23Å; F335-A542 WeakPolarHBondContact CB-O 3.27Å; F335-A542 HydrophobicContact CD2-CB 4.32Å; F335-A542 WeakPolarHBondContact CD2-O 3.45Å; F335-A542 HydrophobicContact CE2-CB 4.03Å; F335-A542 WeakPolarHBondContact CG-O 3.31Å; F335-A542 PolarHBondContact N-O 2.89Å; F335-A542 VanDerWaalsContact N-O 3.15Å; A538-A542 VanDerWaalsContact O-CB 3.31Å; A538-A542 WeakPolarHBondContact O-CB 3.42Å; A538-A542 PolarHBondContact O-N 2.84Å; G539-A542 PolarHBondContact O-N 3.41Å; V540-A542 PolarHBondContact O-N 3.13Å; A542-L544 HydrophobicContact CB-CG 4.26Å
543	G	93.8	Very high	95.6	Very high	33 Å²	33	23.3 Å²	23.3	34%	0.34	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.4	14.3	-173.8	0	0	0	0	0	114	G539 V540 W545	G539-G543 PolarHBondContact O-N 2.79Å; V540-G543 PolarHBondContact O-N 3.32Å; V540-G543 VanDerWaalsContact O-N 3.11Å; G543-W545 VanDerWaalsContact C-N 3.27Å
544	L	94.4	Very high	95.3	Very high	52 Å²	52	24.7 Å²	24.7	27%	0.272	15%	0.146	S	C	.	.	S	Bend	trans	-68.3	-30.3	173.5	-59.7	177.5	0	0	0	112	I21 M38 G539 A542	I21-L544 HydrophobicContact CD1-CD1 3.51Å; I21-L544 HydrophobicContact CG1-CD1 3.67Å; M38-L544 HydrophobicContact CE-CD1 4.04Å; M38-L544 HydrophobicContact CE-CD2 3.76Å; M38-L544 HydrophobicContact SD-CD1 3.51Å; M38-L544 VanDerWaalsContact SD-CD1 3.51Å; M38-L544 HydrophobicContact SD-CD2 3.91Å; M38-L544 HydrophobicContact SD-CG 4.3Å; G539-L544 WeakPolarHBondContact O-CB 3.46Å; G539-L544 PolarHBondContact O-N 3Å; A542-L544 HydrophobicContact CB-CG 4.26Å
545	W	95.1	Very high	95.1	Very high	27 Å²	27	24.7 Å²	24.7	10%	0.102	15%	0.146	C	C	.	.	S	Bend	trans	-133.8	143.2	171.7	-57.1	-76	0	0	0	110.2	I21 M38 L40 V540 G543 S547 A550 A551	I21-W545 HydrophobicContact CD1-CH2 3.36Å; I21-W545 HydrophobicContact CD1-CZ2 4.45Å; I21-W545 HydrophobicContact CD1-CZ3 3.63Å; M38-W545 WeakPolarHBondContact O-CZ2 3.42Å; L40-W545 HydrophobicContact CD1-CH2 3.95Å; L40-W545 HydrophobicContact CD1-CZ2 4.09Å; L40-W545 HydrophobicContact CD2-CH2 3.68Å; L40-W545 HydrophobicContact CD2-CZ2 4.45Å; L40-W545 HydrophobicContact CD2-CZ3 4.43Å; L40-W545 HydrophobicContact CG-CH2 3.71Å; L40-W545 HydrophobicContact CG-CZ2 3.99Å; V540-W545 HydrophobicContact CG2-CB 4.18Å; V540-W545 HydrophobicContact CG2-CE3 4.49Å; G543-W545 VanDerWaalsContact C-N 3.27Å; W545-S547 PolarHBondContact O-N 3.06Å; W545-A550 HydrophobicContact CB-CB 4.29Å; W545-A551 HydrophobicContact CB-CB 4Å; W545-A551 HydrophobicContact CD2-CB 3.55Å; W545-A551 HydrophobicContact CE3-CB 3.61Å; W545-A551 HydrophobicContact CG-CB 3.73Å; W545-A551 HydrophobicContact CZ3-CB 4.25Å
546	P	93.1	Very high	94.6	Very high	120 Å²	120	26 Å²	26	78%	0.779	15%	0.152	S	C	*	.	S	Bend	trans	-73.2	-15	-178.3	29.5	-36.5	0	0	0	113.5	A550	P546-A550 HydrophobicContact CG-CB 3.98Å
547	S	93.7	Very high	94.1	Very high	30 Å²	30	31.7 Å²	31.7	21%	0.21	18%	0.177	C	C	.	.	S	Bend	trans	-160	162.7	-179.5	67.1	0	0	0	0	112	W545 F549 A550 A551	W545-S547 PolarHBondContact O-N 3.06Å; S547-F549 PolarHBondContact O-N 3.46Å; S547-A550 PolarHBondContact O-N 3.13Å; S547-A550 PolarHBondContact OG-N 3.29Å; S547-A550 VanDerWaalsContact OG-N 3.15Å; S547-A551 PolarHBondContact O-N 2.63Å; S547-A551 VanDerWaalsContact O-N 3.14Å
548	F	95.2	Very high	93.8	Very high	8 Å²	8	33 Å²	33	4%	0.035	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-34.2	171.6	-59.8	-46.5	0	0	0	112.3	S252 L287 L292 W328 S330 I536 V537 V540 A551 T552	S252-F548 WeakPolarHBondContact OG-CZ 3.05Å; L287-F548 HydrophobicContact CD1-CB 4.35Å; L287-F548 HydrophobicContact CD1-CD1 3.82Å; L287-F548 HydrophobicContact CD1-CD2 4.13Å; L287-F548 HydrophobicContact CD1-CE1 4.16Å; L287-F548 HydrophobicContact CD1-CE2 4.42Å; L287-F548 HydrophobicContact CD1-CG 3.83Å; L287-F548 HydrophobicContact CD1-CZ 4.43Å; L292-F548 HydrophobicContact CD1-CB 4.3Å; L292-F548 HydrophobicContact CD2-CB 4.26Å; W328-F548 HydrophobicContact CB-CE2 3.94Å; W328-F548 HydrophobicContact CB-CZ 4.42Å; W328-F548 AromaticContact CD1-CD2 3.4Å; W328-F548 VanDerWaalsContact CD1-CD2 3.4Å; W328-F548 AromaticContact CD1-CE2 3.32Å; W328-F548 HydrophobicContact CG-CD2 4.05Å; W328-F548 AromaticContact CG-CE2 3.75Å; W328-F548 HydrophobicContact CG-CE2 3.75Å; W328-F548 AromaticContact NE1-CD2 3.75Å; S330-F548 VanDerWaalsContact OG-CE2 3.26Å; S330-F548 WeakPolarHBondContact OG-CE2 3.28Å; S330-F548 WeakPolarHBondContact OG-CZ 3.45Å; I536-F548 HydrophobicContact CG2-CD1 4.16Å; V537-F548 HydrophobicContact CB-CE1 4.36Å; V537-F548 HydrophobicContact CG1-CE1 4.46Å; V537-F548 HydrophobicContact CG2-CE1 3.99Å; V537-F548 HydrophobicContact CG2-CZ 4.43Å; V540-F548 HydrophobicContact CB-CD1 4.03Å; V540-F548 HydrophobicContact CB-CE1 3.84Å; V540-F548 HydrophobicContact CG1-CD1 4.21Å; V540-F548 HydrophobicContact CG1-CE1 3.96Å; V540-F548 HydrophobicContact CG2-CD1 3.64Å; V540-F548 HydrophobicContact CG2-CE1 4Å; F548-A551 PolarHBondContact O-N 3.21Å; F548-T552 WeakPolarHBondContact O-CG2 3.31Å; F548-T552 PolarHBondContact O-N 2.96Å; F548-T552 PolarHBondContact O-OG1 2.74Å
549	F	93.5	Very high	93.3	Very high	114 Å²	114	34.1 Å²	34.1	50%	0.5	19%	0.188	S	C	.	.	H	α-helix	trans	-63.5	-44.9	176.3	-178.1	-89.3	0	0	0	111.8	L292 S547 A551 T552 E553	L292-F549 HydrophobicContact CD1-CB 4.18Å; L292-F549 HydrophobicContact CD1-CD2 4.47Å; S547-F549 PolarHBondContact O-N 3.46Å; F549-A551 VanDerWaalsContact C-N 3.32Å; F549-A551 PolarHBondContact O-N 3.44Å; F549-T552 PolarHBondContact O-N 3.17Å; F549-T552 PolarHBondContact O-OG1 3.33Å; F549-T552 VanDerWaalsContact O-OG1 3.08Å; F549-E553 VanDerWaalsContact O-CB 3.24Å; F549-E553 WeakPolarHBondContact O-CB 3.49Å; F549-E553 PolarHBondContact O-N 2.89Å
550	A	94.3	Very high	92.7	Very high	23 Å²	23	40.2 Å²	40.2	19%	0.19	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-39.4	177.5	0	0	0	0	0	111.9	W545 P546 S547 E553 A554	W545-A550 HydrophobicContact CB-CB 4.29Å; P546-A550 HydrophobicContact CG-CB 3.98Å; S547-A550 PolarHBondContact O-N 3.13Å; S547-A550 PolarHBondContact OG-N 3.29Å; S547-A550 VanDerWaalsContact OG-N 3.15Å; A550-E553 PolarHBondContact O-N 3Å; A550-A554 WeakPolarHBondContact O-CB 3.47Å; A550-A554 PolarHBondContact O-N 3.46Å
551	A	95.5	Very high	92.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-44.5	177.2	0	0	0	0	0	112.5	I536 V540 W545 S547 F548 F549 A554 L555	I536-A551 HydrophobicContact CG2-CB 3.53Å; V540-A551 HydrophobicContact CG2-CB 4.14Å; W545-A551 HydrophobicContact CB-CB 4Å; W545-A551 HydrophobicContact CD2-CB 3.55Å; W545-A551 HydrophobicContact CE3-CB 3.61Å; W545-A551 HydrophobicContact CG-CB 3.73Å; W545-A551 HydrophobicContact CZ3-CB 4.25Å; S547-A551 PolarHBondContact O-N 2.63Å; S547-A551 VanDerWaalsContact O-N 3.14Å; F548-A551 PolarHBondContact O-N 3.21Å; F549-A551 VanDerWaalsContact C-N 3.32Å; F549-A551 PolarHBondContact O-N 3.44Å; A551-A554 PolarHBondContact O-N 3.04Å; A551-L555 PolarHBondContact O-N 3Å; A551-L555 VanDerWaalsContact O-N 3.09Å
552	T	92.8	Very high	91.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-36.1	175.8	57.6	0	0	0	0	111.5	L287 N290 L292 I536 F548 F549 L555 H556	L287-T552 HydrophobicContact CD2-CG2 4.28Å; L287-T552 WeakPolarHBondContact O-CG2 3.32Å; N290-T552 WeakPolarHBondContact OD1-CB 3.47Å; N290-T552 PolarHBondContact OD1-OG1 2.93Å; L292-T552 HydrophobicContact CD1-CG2 3.96Å; L292-T552 WeakPolarHBondContact CD1-OG1 3.43Å; I536-T552 HydrophobicContact CD1-CG2 4.15Å; F548-T552 WeakPolarHBondContact O-CG2 3.31Å; F548-T552 PolarHBondContact O-N 2.96Å; F548-T552 PolarHBondContact O-OG1 2.74Å; F549-T552 PolarHBondContact O-N 3.17Å; F549-T552 PolarHBondContact O-OG1 3.33Å; F549-T552 VanDerWaalsContact O-OG1 3.08Å; T552-L555 WeakPolarHBondContact O-CB 3.49Å; T552-L555 PolarHBondContact O-N 2.82Å; T552-H556 PolarHBondContact O-N 3.29Å; T552-H556 PolarHBondContact O-ND1 2.48Å
553	E	91.9	Very high	90.8	Very high	75 Å²	75	47.2 Å²	47.2	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-61.5	-44.6	174.1	-171.1	-174.3	171.2	0	0	111.4	F549 A550 L555 H556 K557	F549-E553 VanDerWaalsContact O-CB 3.24Å; F549-E553 WeakPolarHBondContact O-CB 3.49Å; F549-E553 PolarHBondContact O-N 2.89Å; A550-E553 PolarHBondContact O-N 3Å; E553-L555 PolarHBondContact O-N 3.19Å; E553-H556 PolarHBondContact O-N 3.3Å; E553-K557 HydrophobicContact CG-CD 4.32Å; E553-K557 WeakPolarHBondContact O-CG 3.44Å; E553-K557 PolarHBondContact O-N 2.87Å; E553-K557 WeakPolarHBondContact OE1-CE 3.43Å; E553-K557 IonicContact OE1-NZ 3.6Å; E553-K557 PolarHBondContact OE1-NZ 2.73Å
554	A	92.1	Very high	90	Very high	29 Å²	29	52.4 Å²	52.4	24%	0.24	28%	0.282	C	S	.	.	H	α-helix	trans	-58.8	-45.6	175.6	0	0	0	0	0	112	A550 A551 H556 K557 R558	A550-A554 WeakPolarHBondContact O-CB 3.47Å; A550-A554 PolarHBondContact O-N 3.46Å; A551-A554 PolarHBondContact O-N 3.04Å; A554-H556 VanDerWaalsContact C-N 3.34Å; A554-H556 PolarHBondContact O-N 3.02Å; A554-K557 PolarHBondContact O-N 2.57Å; A554-R558 PolarHBondContact O-N 2.72Å
555	L	93.6	Very high	89.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-54.7	-49.1	173.9	173.4	63.4	0	0	0	111.8	L40 L526 L532 I536 A551 T552 E553 R558 L559	L40-L555 HydrophobicContact CB-CD1 3.98Å; L40-L555 HydrophobicContact CD1-CB 3.84Å; L40-L555 HydrophobicContact CD1-CD1 4.45Å; L526-L555 HydrophobicContact CD1-CD2 4.4Å; L532-L555 HydrophobicContact CD2-CD1 4.17Å; L532-L555 HydrophobicContact CD2-CD2 3.7Å; L532-L555 HydrophobicContact CG-CD2 4.43Å; I536-L555 HydrophobicContact CD1-CD2 4.42Å; A551-L555 PolarHBondContact O-N 3Å; A551-L555 VanDerWaalsContact O-N 3.09Å; T552-L555 WeakPolarHBondContact O-CB 3.49Å; T552-L555 PolarHBondContact O-N 2.82Å; E553-L555 PolarHBondContact O-N 3.19Å; L555-R558 VanDerWaalsContact CD1-NH2 3.26Å; L555-R558 PolarHBondContact O-N 2.89Å; L555-L559 HydrophobicContact CD1-CD1 4Å; L555-L559 HydrophobicContact CD1-CG 4.33Å; L555-L559 HydrophobicContact CG-CD1 4.01Å; L555-L559 WeakPolarHBondContact O-CG 3.26Å; L555-L559 PolarHBondContact O-N 3.39Å
556	H	87.9	Confident	87.7	Confident	26 Å²	26	57.7 Å²	57.7	12%	0.12	32%	0.32	C	S	.	.	H	α-helix	trans	-71.4	-36.4	-175.8	-70.8	97.2	0	0	0	112.8	R524 T552 E553 A554 L559 Q560	R524-H556 PolarHBondContact NH1-CD2 2.86Å; R524-H556 PolarHBondContact NH1-NE2 3.42Å; T552-H556 PolarHBondContact O-N 3.29Å; T552-H556 PolarHBondContact O-ND1 2.48Å; E553-H556 PolarHBondContact O-N 3.3Å; A554-H556 VanDerWaalsContact C-N 3.34Å; A554-H556 PolarHBondContact O-N 3.02Å; H556-L559 PolarHBondContact O-N 2.88Å; H556-Q560 WeakPolarHBondContact O-CB 3.41Å; H556-Q560 VanDerWaalsContact O-CG 3.3Å; H556-Q560 WeakPolarHBondContact O-CG 3.21Å; H556-Q560 PolarHBondContact O-N 3.06Å
557	K	88.5	Confident	85.6	Confident	120 Å²	120	56.9 Å²	56.9	52%	0.522	32%	0.315	S	S	.	.	H	α-helix	trans	-60.8	-44.6	172.1	-76.4	178.3	-179.4	168.1	0	111.2	E553 A554 Q560 S561	E553-K557 HydrophobicContact CG-CD 4.32Å; E553-K557 WeakPolarHBondContact O-CG 3.44Å; E553-K557 PolarHBondContact O-N 2.87Å; E553-K557 WeakPolarHBondContact OE1-CE 3.43Å; E553-K557 IonicContact OE1-NZ 3.6Å; E553-K557 PolarHBondContact OE1-NZ 2.73Å; A554-K557 PolarHBondContact O-N 2.57Å; K557-Q560 PolarHBondContact O-N 3.37Å; K557-S561 PolarHBondContact O-N 3.27Å
558	R	90.2	Very high	83.2	Confident	28 Å²	28	61.2 Å²	61.2	11%	0.106	35%	0.345	C	S	.	.	H	α-helix	trans	-58.4	-52.3	174.6	-177.4	-168.8	56.3	75.2	2.5	111.1	D39 L40 A554 L555 Q560 S561 E562	D39-R558 WeakPolarHBondContact O-CD 3.45Å; D39-R558 PolarHBondContact O-NE 3.45Å; D39-R558 WeakPolarHBondContact OD2-CD 3.12Å; L40-R558 PolarHBondContact O-NE 3.25Å; L40-R558 PolarHBondContact O-NH2 3.42Å; A554-R558 PolarHBondContact O-N 2.72Å; L555-R558 VanDerWaalsContact CD1-NH2 3.26Å; L555-R558 PolarHBondContact O-N 2.89Å; R558-Q560 VanDerWaalsContact C-N 3.29Å; R558-Q560 PolarHBondContact O-N 3.39Å; R558-S561 PolarHBondContact O-N 3.19Å; R558-S561 PolarHBondContact O-OG 2.83Å; R558-E562 IonicContact CZ-OE1 3.32Å; R558-E562 IonicContact NH1-OE1 3.21Å; R558-E562 PolarHBondContact NH1-OE1 3.19Å; R558-E562 IonicContact NH1-OE2 2.74Å; R558-E562 PolarHBondContact NH1-OE2 3.06Å; R558-E562 PolarHBondContact O-N 3.34Å
559	L	88.6	Confident	80.7	Confident	24 Å²	24	65.9 Å²	65.9	13%	0.126	37%	0.374	C	S	.	.	H	α-helix	trans	-58.9	-39.1	-179.8	-69.4	168.1	0	0	0	112.3	L526 L555 H556 E562 A563 H586	L526-L559 HydrophobicContact CD2-CD1 3.57Å; L555-L559 HydrophobicContact CD1-CD1 4Å; L555-L559 HydrophobicContact CD1-CG 4.33Å; L555-L559 HydrophobicContact CG-CD1 4.01Å; L555-L559 WeakPolarHBondContact O-CG 3.26Å; L555-L559 PolarHBondContact O-N 3.39Å; H556-L559 PolarHBondContact O-N 2.88Å; L559-E562 PolarHBondContact O-N 2.89Å; L559-A563 WeakPolarHBondContact O-CB 3.24Å; L559-A563 PolarHBondContact O-N 3.46Å; L559-H586 PolarHBondContact O-CE1 3.18Å
560	Q	84.3	Confident	77.8	Confident	127 Å²	127	67 Å²	67	59%	0.593	39%	0.385	S	S	*	.	H	α-helix	trans	-65.3	-40.4	174.7	-73.6	172.2	-5.2	0	0	112.2	H556 K557 R558 A563 N564	H556-Q560 WeakPolarHBondContact O-CB 3.41Å; H556-Q560 VanDerWaalsContact O-CG 3.3Å; H556-Q560 WeakPolarHBondContact O-CG 3.21Å; H556-Q560 PolarHBondContact O-N 3.06Å; K557-Q560 PolarHBondContact O-N 3.37Å; R558-Q560 VanDerWaalsContact C-N 3.29Å; R558-Q560 PolarHBondContact O-N 3.39Å; Q560-A563 PolarHBondContact O-N 3.47Å; Q560-N564 PolarHBondContact O-N 3.44Å
561	S	85.6	Confident	75.2	Confident	61 Å²	61	73.2 Å²	73.2	43%	0.427	41%	0.414	S	S	.	.	H	α-helix	trans	-65	-39.1	177.3	73.8	0	0	0	0	113	K557 R558 N564 S565	K557-S561 PolarHBondContact O-N 3.27Å; R558-S561 PolarHBondContact O-N 3.19Å; R558-S561 PolarHBondContact O-OG 2.83Å; S561-N564 PolarHBondContact O-N 3.43Å; S561-S565 PolarHBondContact O-N 3.34Å; S561-S565 PolarHBondContact O-OG 2.91Å
562	E	84	Confident	72.1	Confident	51 Å²	51	80.4 Å²	80.4	24%	0.238	45%	0.452	C	S	.	.	H	α-helix	trans	-65.7	-41.7	174.5	-72.9	176.3	178.8	0	0	111.1	R558 L559 N564 S565 L566 H586	R558-E562 IonicContact CZ-OE1 3.32Å; R558-E562 IonicContact NH1-OE1 3.21Å; R558-E562 PolarHBondContact NH1-OE1 3.19Å; R558-E562 IonicContact NH1-OE2 2.74Å; R558-E562 PolarHBondContact NH1-OE2 3.06Å; R558-E562 PolarHBondContact O-N 3.34Å; L559-E562 PolarHBondContact O-N 2.89Å; E562-N564 PolarHBondContact O-N 3.01Å; E562-S565 PolarHBondContact O-N 3.24Å; E562-L566 PolarHBondContact O-N 2.8Å; E562-H586 IonicContact OE2-NE2 3Å
563	A	77.8	Confident	69.1	Low	43 Å²	43	86.1 Å²	86.1	36%	0.355	48%	0.483	S	S	.	.	H	α-helix	trans	-60.5	-42.8	176.1	0	0	0	0	0	112.5	L559 Q560 S565	L559-A563 WeakPolarHBondContact O-CB 3.24Å; L559-A563 PolarHBondContact O-N 3.46Å; Q560-A563 PolarHBondContact O-N 3.47Å; A563-S565 PolarHBondContact O-N 3.42Å
564	N	77.8	Confident	66.5	Low	143 Å²	143	86 Å²	86	77%	0.765	50%	0.495	S	S	*	.	H	α-helix	trans	-71.6	-17.8	179	-68.9	-16.1	0	0	0	113.6	Q560 S561 E562	Q560-N564 PolarHBondContact O-N 3.44Å; S561-N564 PolarHBondContact O-N 3.43Å; E562-N564 PolarHBondContact O-N 3.01Å
565	S	76.3	Confident	63.6	Low	99 Å²	99	91 Å²	91	69%	0.692	52%	0.518	S	S	*	.	H	α-helix	trans	-91	-12.4	-178.1	-56.2	0	0	0	0	113.3	S561 E562 A563	S561-S565 PolarHBondContact O-N 3.34Å; S561-S565 PolarHBondContact O-OG 2.91Å; E562-S565 PolarHBondContact O-N 3.24Å; A563-S565 PolarHBondContact O-N 3.42Å
566	L	66.1	Low	60.5	Low	90 Å²	90	97.8 Å²	97.8	47%	0.471	55%	0.553	S	S	.	*	S	Bend	trans	-76.2	129.8	177.5	-74.1	157.2	0	0	0	109.9	E562	E562-L566 PolarHBondContact O-N 2.8Å
567	P	47.2	Very low	57.7	Low	104 Å²	104	103.2 Å²	103.2	68%	0.675	58%	0.583	S	S	*	*			trans	-58.1	145.6	170.5	-14.5	25.3	0	0	0	110	V569	P567-V569 PolarHBondContact O-N 2.94Å
568	S	45.1	Very low	54.9	Low	121 Å²	121	105.8 Å²	105.8	85%	0.846	59%	0.594	S	S	*	*			trans	-57	102.5	169.6	52.9	0	0	0	0	109.1	D570	S568-D570 PolarHBondContact O-N 3.32Å
569	V	42.2	Very low	52	Low	105 Å²	105	114.3 Å²	114.3	64%	0.636	63%	0.632	S	S	*	*			trans	-77.1	119.7	176.1	-178.7	0	0	0	0	107.7	P567 I571	P567-V569 PolarHBondContact O-N 2.94Å; V569-I571 PolarHBondContact O-N 3.41Å
570	D	32.7	Very low	49.2	Very low	137 Å²	137	119.2 Å²	119.2	73%	0.733	66%	0.658	S	S	*	*			trans	-55.2	120.8	166.7	-83.9	-35.8	0	0	0	109.2	S568 N572 N573	S568-D570 PolarHBondContact O-N 3.32Å; D570-N572 PolarHBondContact O-N 2.82Å; D570-N573 PolarHBondContact O-N 3.24Å; D570-N573 VanDerWaalsContact O-N 3.15Å
571	I	39.1	Very low	46.7	Very low	155 Å²	155	121.1 Å²	121.1	80%	0.795	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-54.9	-16.9	-171.6	-67.5	171.1	0	0	0	113.1	V569	V569-I571 PolarHBondContact O-N 3.41Å
572	N	30.6	Very low	44.4	Very low	151 Å²	151	125.3 Å²	125.3	81%	0.807	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-80.7	-12.4	-178	-67.7	-20.5	0	0	0	115.3	D570	D570-N572 PolarHBondContact O-N 2.82Å
573	N	30	Very low	42.4	Very low	120 Å²	120	125.1 Å²	125.1	64%	0.642	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-105.2	12.2	-177.3	-103.3	-15.2	0	0	0	115.6	D570 N575	D570-N573 PolarHBondContact O-N 3.24Å; D570-N573 VanDerWaalsContact O-N 3.15Å; N573-N575 PolarHBondContact O-N 3.17Å
574	A	37.5	Very low	41	Very low	73 Å²	73	126.6 Å²	126.6	60%	0.603	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-8	-179.1	0	0	0	0	0	115.4
575	N	30.6	Very low	39.8	Very low	134 Å²	134	121.3 Å²	121.3	72%	0.717	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-9.9	-176.5	-82	-34	0	0	0	115.6	N573	N573-N575 PolarHBondContact O-N 3.17Å
576	L	28.8	Very low	38.9	Very low	142 Å²	142	119 Å²	119	74%	0.743	64%	0.641	S	S	*	*	S	Bend	trans	-92.7	-11.2	-174.2	-88.8	154.2	0	0	0	115.8	K578	L576-K578 PolarHBondContact O-N 3.25Å
577	N	27.8	Very low	38.9	Very low	140 Å²	140	121.3 Å²	121.3	75%	0.749	65%	0.65	S	S	*	*			trans	-94.5	28.2	-177.8	-80.8	-17.2	0	0	0	115.2	K579	N577-K579 VanDerWaalsContact C-N 3.31Å; N577-K579 PolarHBondContact O-N 3.35Å
578	K	30.7	Very low	40.6	Very low	173 Å²	173	118 Å²	118	75%	0.752	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-3.8	178.2	-86.4	-177.7	178.3	171.8	0	115.8	L576	L576-K578 PolarHBondContact O-N 3.25Å
579	K	29.7	Very low	42.7	Very low	207 Å²	207	117.7 Å²	117.7	90%	0.9	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-14.7	-179.8	-90.6	-174.1	176.3	179.8	0	115.2	N577	N577-K579 VanDerWaalsContact C-N 3.31Å; N577-K579 PolarHBondContact O-N 3.35Å
580	N	29.2	Very low	45.1	Very low	128 Å²	128	118.2 Å²	118.2	68%	0.684	60%	0.598	S	S	*	*	S	Bend	trans	-108.2	107.9	166.9	-75.2	-18.9	0	0	0	107.6	K582	N580-K582 PolarHBondContact O-N 3.33Å
581	N	31.9	Very low	48.1	Very low	166 Å²	166	117.6 Å²	117.6	89%	0.888	59%	0.585	S	S	*	*			trans	-62.1	13.2	172.5	-93.9	-18.7	0	0	0	114.1	S583	N581-S583 PolarHBondContact O-N 3.22Å; N581-S583 VanDerWaalsContact O-N 3.16Å
582	K	38.1	Very low	50.9	Low	150 Å²	150	110.3 Å²	110.3	65%	0.652	55%	0.548	S	S	*	.			trans	-78.4	90.8	166.6	-69.2	-177.7	179	177.7	0	106.9	N580 N584	N580-K582 PolarHBondContact O-N 3.33Å; K582-N584 PolarHBondContact O-N 3.37Å; K582-N584 VanDerWaalsContact O-N 3.14Å
583	S	40.4	Very low	54.1	Low	46 Å²	46	108.3 Å²	108.3	32%	0.322	54%	0.535	S	S	.	.			trans	-55.5	119.2	164.4	-171.3	0	0	0	0	106.2	N581 S585	N581-S583 PolarHBondContact O-N 3.22Å; N581-S583 VanDerWaalsContact O-N 3.16Å; S583-S585 PolarHBondContact O-N 3.01Å
584	N	49.7	Very low	57.3	Low	75 Å²	75	104.6 Å²	104.6	40%	0.401	52%	0.517	S	S	.	.			trans	-58.8	111.7	175.9	-84.8	-23.3	0	0	0	107.9	K582 H586 E587	K582-N584 PolarHBondContact O-N 3.37Å; K582-N584 VanDerWaalsContact O-N 3.14Å; N584-H586 PolarHBondContact O-N 3.34Å; N584-E587 HydrophobicContact CB-CG 4.14Å; N584-E587 WeakPolarHBondContact O-CB 3.42Å; N584-E587 PolarHBondContact O-N 3.04Å
585	S	52.6	Low	60.1	Low	31 Å²	31	105.4 Å²	105.4	22%	0.217	51%	0.509	C	S	.	.	H	α-helix	trans	-49.7	-31.6	-179.8	56.1	0	0	0	0	112.5	G525 S583 E587 L588 Y589	G525-S585 WeakPolarHBondContact O-CA 3.44Å; G525-S585 WeakPolarHBondContact O-CB 3.21Å; S583-S585 PolarHBondContact O-N 3.01Å; S585-E587 PolarHBondContact O-N 3.32Å; S585-L588 PolarHBondContact O-N 3.35Å; S585-Y589 PolarHBondContact O-N 2.92Å
586	H	57.4	Low	63.1	Low	50 Å²	50	101.6 Å²	101.6	23%	0.231	49%	0.492	C	S	.	.	H	α-helix	trans	-60.2	-38.3	175	-64.1	-60.8	0	0	0	114.6	L559 E562 N584 L588 Y589	L559-H586 PolarHBondContact O-CE1 3.18Å; E562-H586 IonicContact OE2-NE2 3Å; N584-H586 PolarHBondContact O-N 3.34Å; H586-L588 PolarHBondContact O-N 3.31Å; H586-Y589 PolarHBondContact O-N 2.8Å
587	E	66.9	Low	66.2	Low	139 Å²	139	98.3 Å²	98.3	65%	0.65	48%	0.481	S	S	*	.	H	α-helix	trans	-65.9	-23.9	178.7	-69.7	176.3	-171.9	0	0	111.7	N584 S585	N584-E587 HydrophobicContact CB-CG 4.14Å; N584-E587 WeakPolarHBondContact O-CB 3.42Å; N584-E587 PolarHBondContact O-N 3.04Å; S585-E587 PolarHBondContact O-N 3.32Å
588	L	80.9	Confident	69.3	Low	35 Å²	35	97.6 Å²	97.6	18%	0.183	47%	0.473	C	S	.	.	H	α-helix	trans	-90.1	-23.7	179.1	-65.4	177.9	0	0	0	113.1	R523 S585 H586 R590	R523-L588 VanDerWaalsContact CZ-O 3.3Å; R523-L588 PolarHBondContact NE-O 2.93Å; R523-L588 PolarHBondContact NH2-O 3.27Å; S585-L588 PolarHBondContact O-N 3.35Å; H586-L588 PolarHBondContact O-N 3.31Å; L588-R590 PolarHBondContact O-N 3.24Å; L588-R590 VanDerWaalsContact O-N 3.16Å
589	Y	89.7	Confident	72.3	Confident	114 Å²	114	92.5 Å²	92.5	45%	0.447	45%	0.454	S	S	.	.			trans	-59.9	119.8	179.1	173.4	-92.4	0	0	0	110.5	E522 R523 S585 H586	E522-Y589 HydrophobicContact CG-CE2 4.37Å; R523-Y589 WeakPolarHBondContact O-CA 3.24Å; S585-Y589 PolarHBondContact O-N 2.92Å; H586-Y589 PolarHBondContact O-N 2.8Å
590	R	93.5	Very high	75.4	Confident	116 Å²	116	83.1 Å²	83.1	44%	0.438	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	135.5	176	-169.6	163.7	176.6	176.4	1.4	111.5	N507 R523 L588 F592	N507-R590 PolarHBondContact ND2-NH1 3.16Å; R523-R590 PolarHBondContact N-O 3.23Å; R523-R590 PolarHBondContact O-N 3.16Å; L588-R590 PolarHBondContact O-N 3.24Å; L588-R590 VanDerWaalsContact O-N 3.16Å; R590-F592 HydrophobicContact CB-CE2 3.75Å; R590-F592 HydrophobicContact CB-CZ 3.92Å; R590-F592 VanDerWaalsContact CD-CZ 3.48Å; R590-F592 HydrophobicContact CG-CD1 4.47Å; R590-F592 HydrophobicContact CG-CD2 4.25Å; R590-F592 HydrophobicContact CG-CE1 4.04Å; R590-F592 HydrophobicContact CG-CE2 3.76Å; R590-F592 HydrophobicContact CG-CZ 3.66Å
591	R	95.4	Very high	78.6	Confident	125 Å²	125	82.3 Å²	82.3	47%	0.472	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126	167.8	-175	179.3	-70	170.9	0.2	109.3	P520 E522 M593	P520-R591 HydrophobicContact CB-CG 4.42Å; E522-R591 HydrophobicContact CB-CG 4.45Å; E522-R591 HydrophobicContact CG-CB 4.5Å; E522-R591 IonicContact OE2-CZ 3.05Å; E522-R591 IonicContact OE2-NE 3.67Å; E522-R591 PolarHBondContact OE2-NE 2.98Å; E522-R591 IonicContact OE2-NH2 3.59Å; E522-R591 PolarHBondContact OE2-NH2 3.47Å; R591-M593 HydrophobicContact CG-SD 4.23Å
592	F	97.6	Very high	81.6	Confident	2 Å²	2	76.5 Å²	76.5	1%	0.009	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.7	179.5	-58.6	-95.2	0	0	0	108.4	N507 L510 Q511 S514 P520 V521 R590	N507-F592 HydrophobicContact CB-CE1 4Å; N507-F592 HydrophobicContact CB-CZ 4.15Å; N507-F592 WeakPolarHBondContact O-CE1 3.15Å; L510-F592 HydrophobicContact CB-CD1 4.24Å; L510-F592 HydrophobicContact CB-CD2 3.69Å; L510-F592 HydrophobicContact CB-CE1 4.16Å; L510-F592 HydrophobicContact CB-CE2 3.62Å; L510-F592 HydrophobicContact CB-CG 4.01Å; L510-F592 HydrophobicContact CB-CZ 3.84Å; L510-F592 HydrophobicContact CD1-CD2 4.05Å; L510-F592 HydrophobicContact CD1-CE2 3.43Å; L510-F592 VanDerWaalsContact CD1-CE2 3.43Å; L510-F592 HydrophobicContact CD1-CZ 4Å; L510-F592 HydrophobicContact CG-CE2 4.18Å; Q511-F592 HydrophobicContact CB-CD1 3.95Å; S514-F592 WeakPolarHBondContact CB-O 3.47Å; S514-F592 PolarHBondContact OG-O 3.49Å; P520-F592 WeakPolarHBondContact CA-O 3.41Å; V521-F592 HydrophobicContact CB-CB 4.41Å; V521-F592 PolarHBondContact N-O 2.75Å; V521-F592 PolarHBondContact O-N 3.07Å; R590-F592 HydrophobicContact CB-CE2 3.75Å; R590-F592 HydrophobicContact CB-CZ 3.92Å; R590-F592 VanDerWaalsContact CD-CZ 3.48Å; R590-F592 HydrophobicContact CG-CD1 4.47Å; R590-F592 HydrophobicContact CG-CD2 4.25Å; R590-F592 HydrophobicContact CG-CE1 4.04Å; R590-F592 HydrophobicContact CG-CE2 3.76Å; R590-F592 HydrophobicContact CG-CZ 3.66Å
593	M	98	Very high	84.3	Confident	109 Å²	109	69.4 Å²	69.4	54%	0.537	35%	0.35	S	S	.	.			trans	-83.5	146.9	175.5	-61.9	-59.4	-70.9	0	0	109.5	Q511 S514 P520 R591 E595	Q511-M593 PolarHBondContact NE2-O 3.35Å; S514-M593 VanDerWaalsContact OG-C 3.32Å; P520-M593 HydrophobicContact CB-SD 3.95Å; P520-M593 HydrophobicContact CG-CE 3.92Å; P520-M593 HydrophobicContact CG-SD 3.72Å; R591-M593 HydrophobicContact CG-SD 4.23Å; M593-E595 PolarHBondContact O-N 2.92Å
594	P	97.7	Very high	86.9	Confident	41 Å²	41	70.8 Å²	70.8	27%	0.266	35%	0.35	S	S	.	.			trans	-53.1	131.1	167.8	-23.7	34.2	0	0	0	109.4	S514	S514-P594 WeakPolarHBondContact OG-CD 3.42Å; S514-P594 VanDerWaalsContact OG-N 3.15Å
595	E	96.2	Very high	89.1	Confident	91 Å²	91	73.6 Å²	73.6	43%	0.425	36%	0.359	S	S	.	.			trans	-70.5	-165.5	178.8	-74.6	177.1	108.6	0	0	111.6	Q511 N515 M593 I599 C600	Q511-E595 HydrophobicContact CG-CG 4.33Å; Q511-E595 WeakPolarHBondContact CG-OE2 3.35Å; N515-E595 PolarHBondContact ND2-OE2 2.96Å; N515-E595 PolarHBondContact OD1-N 2.78Å; M593-E595 PolarHBondContact O-N 2.92Å; E595-I599 HydrophobicContact CB-CB 4.39Å; E595-I599 HydrophobicContact CB-CD1 4.15Å; E595-I599 HydrophobicContact CB-CG2 4.25Å; E595-C600 PolarHBondContact O-SG 3.11Å; E595-C600 VanDerWaalsContact O-SG 3.39Å
596	S	93.8	Very high	91.2	Very high	53 Å²	53	72.1 Å²	72.1	37%	0.371	35%	0.349	S	S	.	.			trans	-51.3	156.5	-177.6	90.6	0	0	0	0	112.9	E598 I599 C600	S596-E598 WeakPolarHBondContact CB-OE2 3.18Å; S596-E598 PolarHBondContact O-N 2.93Å; S596-E598 PolarHBondContact OG-OE2 3.23Å; S596-I599 PolarHBondContact O-N 3.33Å; S596-I599 PolarHBondContact OG-N 3.06Å; S596-C600 WeakPolarHBondContact O-CB 3.49Å; S596-C600 PolarHBondContact O-N 3.32Å; S596-C600 PolarHBondContact O-SG 3.16Å
597	S	92.6	Very high	93.1	Very high	73 Å²	73	69.8 Å²	69.8	51%	0.51	34%	0.338	S	S	.	.	H	α-helix	trans	-59.1	-36.8	-177.4	86.9	0	0	0	0	111.5	C600 I601	S597-C600 PolarHBondContact O-N 3.46Å; S597-I601 WeakPolarHBondContact O-CB 3.46Å; S597-I601 WeakPolarHBondContact O-CD1 3.49Å; S597-I601 WeakPolarHBondContact O-CG1 3.13Å; S597-I601 PolarHBondContact O-N 2.66Å
598	E	94.2	Very high	94.5	Very high	125 Å²	125	67.9 Å²	67.9	58%	0.584	33%	0.329	S	S	*	.	H	α-helix	trans	-65.7	-49	-178.7	-55.5	70.5	-144.4	0	0	110.9	S596 I601 S602	S596-E598 WeakPolarHBondContact CB-OE2 3.18Å; S596-E598 PolarHBondContact O-N 2.93Å; S596-E598 PolarHBondContact OG-OE2 3.23Å; E598-I601 PolarHBondContact O-N 2.69Å; E598-S602 WeakPolarHBondContact O-CB 3.47Å; E598-S602 PolarHBondContact O-N 3.48Å
599	I	93.7	Very high	95.1	Very high	67 Å²	67	68.3 Å²	68.3	34%	0.344	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-48.2	177	-67.8	171.6	0	0	0	109.9	E595 S596 I601 S602 I603	E595-I599 HydrophobicContact CB-CB 4.39Å; E595-I599 HydrophobicContact CB-CD1 4.15Å; E595-I599 HydrophobicContact CB-CG2 4.25Å; S596-I599 PolarHBondContact O-N 3.33Å; S596-I599 PolarHBondContact OG-N 3.06Å; I599-I601 VanDerWaalsContact C-N 3.35Å; I599-I601 PolarHBondContact O-N 2.83Å; I599-S602 PolarHBondContact O-N 3.4Å; I599-I603 HydrophobicContact CG2-CD1 3.64Å; I599-I603 HydrophobicContact CG2-CG1 4.49Å; I599-I603 WeakPolarHBondContact O-CG1 3.48Å; I599-I603 PolarHBondContact O-N 3.02Å
600	C	94.9	Very high	95.4	Very high	9 Å²	9	63 Å²	63	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-40.9	179.2	-74.3	0	0	0	0	112.5	E595 S596 S597 K604	E595-C600 PolarHBondContact O-SG 3.11Å; E595-C600 VanDerWaalsContact O-SG 3.39Å; S596-C600 WeakPolarHBondContact O-CB 3.49Å; S596-C600 PolarHBondContact O-N 3.32Å; S596-C600 PolarHBondContact O-SG 3.16Å; S597-C600 PolarHBondContact O-N 3.46Å; C600-K604 VanDerWaalsContact O-CB 3.28Å; C600-K604 WeakPolarHBondContact O-CB 3.21Å; C600-K604 WeakPolarHBondContact O-CD 3.44Å; C600-K604 WeakPolarHBondContact O-CG 3.36Å; C600-K604 PolarHBondContact O-N 3.32Å
601	I	95	Very high	95.5	Very high	112 Å²	112	58.8 Å²	58.8	57%	0.574	30%	0.298	S	S	*	.	H	α-helix	trans	-64.6	-45.7	177	-73.7	163.6	0	0	0	110.4	S597 E598 I599 K604 K605	S597-I601 WeakPolarHBondContact O-CB 3.46Å; S597-I601 WeakPolarHBondContact O-CD1 3.49Å; S597-I601 WeakPolarHBondContact O-CG1 3.13Å; S597-I601 PolarHBondContact O-N 2.66Å; E598-I601 PolarHBondContact O-N 2.69Å; I599-I601 VanDerWaalsContact C-N 3.35Å; I599-I601 PolarHBondContact O-N 2.83Å; I601-K604 PolarHBondContact O-N 3.36Å; I601-K605 WeakPolarHBondContact O-CB 3.3Å; I601-K605 PolarHBondContact O-N 2.97Å
602	S	94.8	Very high	95.3	Very high	44 Å²	44	59.5 Å²	59.5	31%	0.308	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-49.5	178.5	-175.4	0	0	0	0	111.9	E598 I599 K604 K605 R606	E598-S602 WeakPolarHBondContact O-CB 3.47Å; E598-S602 PolarHBondContact O-N 3.48Å; I599-S602 PolarHBondContact O-N 3.4Å; S602-K604 PolarHBondContact O-N 3.1Å; S602-K605 WeakPolarHBondContact O-CB 3.47Å; S602-K605 PolarHBondContact O-N 3.47Å; S602-R606 PolarHBondContact O-N 3.15Å
603	I	95.9	Very high	95	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-40.5	179.3	-66.3	168.5	0	0	0	111.3	F477 N515 T516 I599 K605 R606 Y607	F477-I603 HydrophobicContact CE1-CG2 4.27Å; N515-I603 HydrophobicContact CB-CD1 3.63Å; T516-I603 VanDerWaalsContact OG1-CG2 3.31Å; T516-I603 WeakPolarHBondContact OG1-CG2 3.48Å; I599-I603 HydrophobicContact CG2-CD1 3.64Å; I599-I603 HydrophobicContact CG2-CG1 4.49Å; I599-I603 WeakPolarHBondContact O-CG1 3.48Å; I599-I603 PolarHBondContact O-N 3.02Å; I603-K605 VanDerWaalsContact C-N 3.32Å; I603-K605 PolarHBondContact O-N 2.88Å; I603-R606 WeakPolarHBondContact O-CB 3.37Å; I603-R606 PolarHBondContact O-N 3.09Å; I603-Y607 PolarHBondContact O-N 3.37Å
604	K	95.2	Very high	94.5	Very high	75 Å²	75	58.4 Å²	58.4	33%	0.326	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-38.4	175.2	-76	170.2	-174.5	172.2	0	111.8	C600 I601 S602 Y607 H608	C600-K604 VanDerWaalsContact O-CB 3.28Å; C600-K604 WeakPolarHBondContact O-CB 3.21Å; C600-K604 WeakPolarHBondContact O-CD 3.44Å; C600-K604 WeakPolarHBondContact O-CG 3.36Å; C600-K604 PolarHBondContact O-N 3.32Å; I601-K604 PolarHBondContact O-N 3.36Å; S602-K604 PolarHBondContact O-N 3.1Å; K604-Y607 PolarHBondContact O-N 2.97Å; K604-H608 PolarHBondContact O-CD2 3.15Å; K604-H608 PolarHBondContact O-N 3.35Å
605	K	95.4	Very high	94.1	Very high	133 Å²	133	59.4 Å²	59.4	58%	0.578	31%	0.311	S	S	*	.	H	α-helix	trans	-60.2	-45.1	173	-177.3	-179.2	177.6	-178.6	0	111.1	I601 S602 I603 H608 I609	I601-K605 WeakPolarHBondContact O-CB 3.3Å; I601-K605 PolarHBondContact O-N 2.97Å; S602-K605 WeakPolarHBondContact O-CB 3.47Å; S602-K605 PolarHBondContact O-N 3.47Å; I603-K605 VanDerWaalsContact C-N 3.32Å; I603-K605 PolarHBondContact O-N 2.88Å; K605-H608 PolarHBondContact O-N 3.39Å; K605-I609 HydrophobicContact CG-CD1 4.32Å; K605-I609 WeakPolarHBondContact O-CG1 3.3Å; K605-I609 PolarHBondContact O-N 3.16Å; K605-I609 VanDerWaalsContact O-N 3.1Å
606	R	95.9	Very high	93.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-48.3	173.3	-71.2	-174.7	60.2	65.6	0.4	112	A414 T415 I419 F420 E473 F477 S602 I603 H608 I609 W610	A414-R606 PolarHBondContact O-NH1 3.4Å; T415-R606 HydrophobicContact CG2-CG 4.18Å; T415-R606 WeakPolarHBondContact OG1-CD 3.32Å; T415-R606 WeakPolarHBondContact OG1-CG 3.35Å; T415-R606 PolarHBondContact OG1-NH1 3.27Å; I419-R606 PolarHBondContact O-NH2 3.4Å; F420-R606 HydrophobicContact CE1-CB 4.34Å; E473-R606 IonicContact OE1-CZ 2.9Å; E473-R606 IonicContact OE1-NE 3.4Å; E473-R606 PolarHBondContact OE1-NE 3.42Å; E473-R606 IonicContact OE2-CZ 3.67Å; E473-R606 IonicContact OE2-NE 2.84Å; E473-R606 PolarHBondContact OE2-NE 3.4Å; E473-R606 IonicContact OE2-NH2 3.53Å; E473-R606 PolarHBondContact OE2-NH2 3.07Å; F477-R606 HydrophobicContact CE2-CB 4.47Å; F477-R606 HydrophobicContact CZ-CB 3.75Å; S602-R606 PolarHBondContact O-N 3.15Å; I603-R606 WeakPolarHBondContact O-CB 3.37Å; I603-R606 PolarHBondContact O-N 3.09Å; R606-H608 VanDerWaalsContact C-N 3.31Å; R606-H608 PolarHBondContact O-N 3Å; R606-I609 PolarHBondContact O-N 2.74Å; R606-W610 WeakPolarHBondContact O-CB 3.32Å; R606-W610 PolarHBondContact O-N 2.83Å
607	Y	97.2	Very high	93	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-57.1	-43.7	176.6	169	-103.9	0	0	0	112	F477 K480 L481 E484 I603 K604 W610 S611	F477-Y607 HydrophobicContact CB-CD2 3.96Å; F477-Y607 HydrophobicContact CB-CE2 4.44Å; F477-Y607 AromaticContact CD1-CD2 3.94Å; F477-Y607 HydrophobicContact CD1-CD2 3.94Å; F477-Y607 HydrophobicContact CD1-CG 4.43Å; F477-Y607 AromaticContact CG-CD2 3.97Å; F477-Y607 HydrophobicContact CG-CD2 3.97Å; F477-Y607 WeakPolarHBondContact O-CE2 3.46Å; K480-Y607 HydrophobicContact CB-CD2 4.09Å; K480-Y607 HydrophobicContact CB-CE1 4.5Å; K480-Y607 HydrophobicContact CB-CE2 3.71Å; K480-Y607 HydrophobicContact CG-CD1 3.93Å; K480-Y607 HydrophobicContact CG-CD2 4.02Å; K480-Y607 HydrophobicContact CG-CE1 3.49Å; K480-Y607 VanDerWaalsContact CG-CE1 3.49Å; K480-Y607 HydrophobicContact CG-CE2 3.6Å; K480-Y607 HydrophobicContact CG-CG 4.17Å; L481-Y607 WeakPolarHBondContact CA-OH 3.34Å; L481-Y607 HydrophobicContact CB-CE2 4.4Å; L481-Y607 PolarHBondContact N-OH 3.39Å; E484-Y607 VanDerWaalsContact CD-OH 3.24Å; E484-Y607 WeakPolarHBondContact OE1-CE1 3.48Å; E484-Y607 PolarHBondContact OE2-OH 3.25Å; I603-Y607 PolarHBondContact O-N 3.37Å; K604-Y607 PolarHBondContact O-N 2.97Å; Y607-W610 HydrophobicContact CD2-CE3 4.08Å; Y607-W610 HydrophobicContact CD2-CZ3 4.45Å; Y607-W610 HydrophobicContact CE2-CE3 4.03Å; Y607-W610 HydrophobicContact CE2-CZ3 4.02Å; Y607-W610 PolarHBondContact O-N 3.41Å; Y607-S611 VanDerWaalsContact O-CB 3.29Å; Y607-S611 WeakPolarHBondContact O-CB 3.42Å; Y607-S611 PolarHBondContact O-N 3.37Å; Y607-S611 PolarHBondContact O-OG 3.35Å
608	H	96	Very high	92.2	Very high	98 Å²	98	58.4 Å²	58.4	45%	0.454	30%	0.301	S	S	.	.	H	α-helix	trans	-60.3	-48.8	178	-73.2	-50.3	0	0	0	111.5	K604 K605 R606 W610 S611 H612	K604-H608 PolarHBondContact O-CD2 3.15Å; K604-H608 PolarHBondContact O-N 3.35Å; K605-H608 PolarHBondContact O-N 3.39Å; R606-H608 VanDerWaalsContact C-N 3.31Å; R606-H608 PolarHBondContact O-N 3Å; H608-W610 PolarHBondContact O-N 3.17Å; H608-S611 PolarHBondContact O-N 2.85Å; H608-S611 PolarHBondContact O-OG 2.84Å; H608-H612 PolarHBondContact O-CD2 3.08Å; H608-H612 PolarHBondContact O-N 3.46Å; H608-H612 VanDerWaalsContact O-N 3.1Å
609	I	95.1	Very high	90.9	Very high	45 Å²	45	56.4 Å²	56.4	23%	0.231	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-50.7	175.7	-63.5	165.3	0	0	0	110.4	T415 F420 K605 R606 S611 H612 L613	T415-I609 HydrophobicContact CG2-CD1 4.2Å; F420-I609 HydrophobicContact CE2-CB 4.41Å; F420-I609 HydrophobicContact CE2-CG2 3.64Å; F420-I609 HydrophobicContact CZ-CB 4.13Å; F420-I609 HydrophobicContact CZ-CG2 3.86Å; K605-I609 HydrophobicContact CG-CD1 4.32Å; K605-I609 WeakPolarHBondContact O-CG1 3.3Å; K605-I609 PolarHBondContact O-N 3.16Å; K605-I609 VanDerWaalsContact O-N 3.1Å; R606-I609 PolarHBondContact O-N 2.74Å; I609-S611 VanDerWaalsContact C-N 3.32Å; I609-S611 PolarHBondContact O-N 2.9Å; I609-H612 PolarHBondContact O-N 3.25Å; I609-L613 HydrophobicContact CG2-CD1 3.7Å; I609-L613 HydrophobicContact CG2-CG 4.35Å; I609-L613 WeakPolarHBondContact O-CG 3.29Å; I609-L613 PolarHBondContact O-N 3.05Å
610	W	95.5	Very high	89.4	Confident	1 Å²	1	63 Å²	63	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-56.3	-44	178.1	176.5	90.5	0	0	0	112.5	F420 Y421 I422 P423 F477 L481 R606 Y607 H608 H612 L613 R614	F420-W610 HydrophobicContact CD1-CB 3.94Å; F420-W610 AromaticContact CD1-CD1 3.76Å; F420-W610 HydrophobicContact CD1-CG 4.26Å; F420-W610 HydrophobicContact CE1-CB 3.94Å; Y421-W610 PolarHBondContact O-NE1 3.44Å; I422-W610 HydrophobicContact CD1-CG 4.33Å; P423-W610 HydrophobicContact CG-CZ2 4.35Å; F477-W610 HydrophobicContact CB-CD2 3.9Å; F477-W610 HydrophobicContact CB-CE3 3.77Å; F477-W610 HydrophobicContact CB-CH2 3.99Å; F477-W610 HydrophobicContact CB-CZ2 4.1Å; F477-W610 HydrophobicContact CB-CZ3 3.83Å; F477-W610 HydrophobicContact CD2-CB 3.74Å; F477-W610 AromaticContact CD2-CD1 3.69Å; F477-W610 AromaticContact CD2-CD2 3.62Å; F477-W610 HydrophobicContact CD2-CD2 3.62Å; F477-W610 HydrophobicContact CD2-CE3 4.16Å; F477-W610 AromaticContact CD2-CG 3.4Å; F477-W610 HydrophobicContact CD2-CG 3.4Å; F477-W610 HydrophobicContact CE2-CB 3.8Å; F477-W610 AromaticContact CE2-CG 3.92Å; F477-W610 HydrophobicContact CE2-CG 3.92Å; F477-W610 HydrophobicContact CG-CD2 4.16Å; F477-W610 HydrophobicContact CG-CE3 4.28Å; F477-W610 HydrophobicContact CG-CG 4.36Å; L481-W610 HydrophobicContact CB-CZ3 4.28Å; L481-W610 HydrophobicContact CD2-CH2 4.09Å; L481-W610 HydrophobicContact CD2-CZ3 4.08Å; R606-W610 WeakPolarHBondContact O-CB 3.32Å; R606-W610 PolarHBondContact O-N 2.83Å; Y607-W610 HydrophobicContact CD2-CE3 4.08Å; Y607-W610 HydrophobicContact CD2-CZ3 4.45Å; Y607-W610 HydrophobicContact CE2-CE3 4.03Å; Y607-W610 HydrophobicContact CE2-CZ3 4.02Å; Y607-W610 PolarHBondContact O-N 3.41Å; H608-W610 PolarHBondContact O-N 3.17Å; W610-H612 PolarHBondContact O-N 3.4Å; W610-L613 PolarHBondContact O-N 3.41Å; W610-R614 VanDerWaalsContact CH2-CD 3.46Å; W610-R614 VanDerWaalsContact O-CB 3.24Å; W610-R614 WeakPolarHBondContact O-CB 3.36Å; W610-R614 PolarHBondContact O-N 3.37Å
611	S	94.6	Very high	87.1	Confident	28 Å²	28	71.6 Å²	71.6	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-66.4	-38.9	-177.8	74.4	0	0	0	0	112.2	Y607 H608 I609 A615	Y607-S611 VanDerWaalsContact O-CB 3.29Å; Y607-S611 WeakPolarHBondContact O-CB 3.42Å; Y607-S611 PolarHBondContact O-N 3.37Å; Y607-S611 PolarHBondContact O-OG 3.35Å; H608-S611 PolarHBondContact O-N 2.85Å; H608-S611 PolarHBondContact O-OG 2.84Å; I609-S611 VanDerWaalsContact C-N 3.32Å; I609-S611 PolarHBondContact O-N 2.9Å; S611-A615 WeakPolarHBondContact O-CB 3.28Å; S611-A615 PolarHBondContact O-N 3.34Å; S611-A615 VanDerWaalsContact O-N 3.08Å
612	H	92.5	Very high	84	Confident	140 Å²	140	71.7 Å²	71.7	65%	0.648	37%	0.372	S	S	*	.	H	α-helix	trans	-69.2	-45.4	176	-81.5	-69.2	0	0	0	111.7	H608 I609 W610 A615 S616	H608-H612 PolarHBondContact O-CD2 3.08Å; H608-H612 PolarHBondContact O-N 3.46Å; H608-H612 VanDerWaalsContact O-N 3.1Å; I609-H612 PolarHBondContact O-N 3.25Å; W610-H612 PolarHBondContact O-N 3.4Å; H612-A615 PolarHBondContact O-N 3.01Å; H612-S616 PolarHBondContact O-N 3.1Å
613	L	89.9	Confident	80.9	Confident	49 Å²	49	75.4 Å²	75.4	26%	0.257	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-49.7	175.1	-70.6	171.3	0	0	0	110.5	F420 I422 I454 I609 W610 A615 S616 Y617	F420-L613 HydrophobicContact CD2-CD1 3.91Å; F420-L613 HydrophobicContact CE2-CD1 4.03Å; I422-L613 HydrophobicContact CD1-CB 4.41Å; I454-L613 HydrophobicContact CD1-CD1 3.68Å; I609-L613 HydrophobicContact CG2-CD1 3.7Å; I609-L613 HydrophobicContact CG2-CG 4.35Å; I609-L613 WeakPolarHBondContact O-CG 3.29Å; I609-L613 PolarHBondContact O-N 3.05Å; W610-L613 PolarHBondContact O-N 3.41Å; L613-A615 PolarHBondContact O-N 3.45Å; L613-S616 PolarHBondContact O-N 3.28Å; L613-S616 PolarHBondContact O-OG 3.19Å; L613-Y617 WeakPolarHBondContact O-CD2 3.39Å; L613-Y617 PolarHBondContact O-N 3.16Å
614	R	89.1	Confident	77.6	Confident	40 Å²	40	79.1 Å²	79.1	15%	0.151	43%	0.432	C	S	.	.	H	α-helix	trans	-55.5	-39.7	176.9	-177.1	176.5	177.8	-76.2	-1.2	112.4	I422 P423 W610 S616 Y617 L618	I422-R614 HydrophobicContact CG2-CB 3.95Å; I422-R614 HydrophobicContact CG2-CG 3.91Å; P423-R614 PolarHBondContact O-NE 2.71Å; W610-R614 VanDerWaalsContact CH2-CD 3.46Å; W610-R614 VanDerWaalsContact O-CB 3.24Å; W610-R614 WeakPolarHBondContact O-CB 3.36Å; W610-R614 PolarHBondContact O-N 3.37Å; R614-S616 VanDerWaalsContact C-N 3.32Å; R614-S616 PolarHBondContact O-N 2.9Å; R614-Y617 PolarHBondContact O-N 3.35Å; R614-L618 PolarHBondContact O-N 3.28Å
615	A	88.1	Confident	74.4	Confident	61 Å²	61	82.6 Å²	82.6	50%	0.504	45%	0.454	S	S	.	.	H	α-helix	trans	-65.5	-31.7	177.6	0	0	0	0	0	113.1	S611 H612 L613	S611-A615 WeakPolarHBondContact O-CB 3.28Å; S611-A615 PolarHBondContact O-N 3.34Å; S611-A615 VanDerWaalsContact O-N 3.08Å; H612-A615 PolarHBondContact O-N 3.01Å; L613-A615 PolarHBondContact O-N 3.45Å
616	S	86.3	Confident	71.1	Confident	85 Å²	85	85.5 Å²	85.5	59%	0.594	47%	0.466	S	S	*	.	H	α-helix	trans	-73.7	-25.5	176.9	71.3	0	0	0	0	113.4	H612 L613 R614	H612-S616 PolarHBondContact O-N 3.1Å; L613-S616 PolarHBondContact O-N 3.28Å; L613-S616 PolarHBondContact O-OG 3.19Å; R614-S616 VanDerWaalsContact C-N 3.32Å; R614-S616 PolarHBondContact O-N 2.9Å
617	Y	81.2	Confident	67.9	Low	60 Å²	60	93.3 Å²	93.3	24%	0.235	51%	0.507	C	S	.	.	H	α-helix	trans	-81.3	-17.1	175.3	-75.7	-81.7	0	0	0	114.1	I422 T428 H432 L452 I454 L613 R614	I422-Y617 HydrophobicContact CG2-CD2 4.31Å; T428-Y617 VanDerWaalsContact CG2-O 3.29Å; T428-Y617 WeakPolarHBondContact CG2-O 3.34Å; H432-Y617 AromaticContact CE1-CD1 3.69Å; H432-Y617 AromaticContact NE2-CD1 3.7Å; H432-Y617 PolarHBondContact NE2-O 2.75Å; L452-Y617 HydrophobicContact CD1-CE1 4.34Å; L452-Y617 HydrophobicContact CD2-CD1 3.94Å; L452-Y617 HydrophobicContact CD2-CE1 3.92Å; I454-Y617 HydrophobicContact CG2-CE2 4.46Å; L613-Y617 WeakPolarHBondContact O-CD2 3.39Å; L613-Y617 PolarHBondContact O-N 3.16Å; R614-Y617 PolarHBondContact O-N 3.35Å
618	L	76	Confident	65.2	Low	51 Å²	51	103 Å²	103	27%	0.267	57%	0.566	S	S	.	*	S	Bend	trans	-77.2	146.4	176	-71.1	174.1	0	0	0	110.7	R614 K620	R614-L618 PolarHBondContact O-N 3.28Å; L618-K620 PolarHBondContact O-N 2.73Å
619	P	67.3	Low	63.7	Low	84 Å²	84	103.3 Å²	103.3	55%	0.545	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-55.5	127.9	174	-19.8	30.3	0	0	0	109.7	T428 K621	T428-P619 HydrophobicContact CG2-CG 4.32Å; P619-K621 PolarHBondContact O-N 2.88Å
620	K	60.8	Low	62.1	Low	204 Å²	204	106.4 Å²	106.4	89%	0.887	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-55.4	117.4	167	-71.6	-176.8	-179.8	177.1	0	106.1	L618 S622	L618-K620 PolarHBondContact O-N 2.73Å; K620-S622 PolarHBondContact O-N 3.23Å
621	K	46.9	Very low	60.2	Low	190 Å²	190	112.2 Å²	112.2	83%	0.826	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-50.7	117.4	169.2	-79.9	-176	176.9	179.8	0	105.4	P619 T623	P619-K621 PolarHBondContact O-N 2.88Å; K621-T623 VanDerWaalsContact C-N 3.26Å; K621-T623 PolarHBondContact O-N 3.09Å
622	S	30.1	Very low	58.2	Low	114 Å²	114	117.2 Å²	117.2	80%	0.797	65%	0.648	S	S	*	*			trans	-57.2	100.6	170.4	59	0	0	0	0	105.7	K620 G624	K620-S622 PolarHBondContact O-N 3.23Å; S622-G624 PolarHBondContact O-N 3.15Å
623	T	30.8	Very low	56	Low	122 Å²	122	115.8 Å²	115.8	75%	0.748	65%	0.648	S	S	*	*			trans	-63.3	94.8	166.1	42.2	0	0	0	0	104.4	K621 L625	K621-T623 VanDerWaalsContact C-N 3.26Å; K621-T623 PolarHBondContact O-N 3.09Å; T623-L625 PolarHBondContact O-N 2.99Å
624	G	26.2	Very low	53.8	Low	80 Å²	80	120.2 Å²	120.2	83%	0.825	67%	0.674	S	S	*	*			trans	-69.4	42.2	175.4	0	0	0	0	0	112.2	S622	S622-G624 PolarHBondContact O-N 3.15Å
625	L	26.5	Very low	51.3	Low	147 Å²	147	125.9 Å²	125.9	77%	0.77	71%	0.711	S	S	*	*			trans	-98	81.7	159.1	-92.1	137.1	0	0	0	105.6	T623 L627	T623-L625 PolarHBondContact O-N 2.99Å; L625-L627 VanDerWaalsContact C-N 3.3Å; L625-L627 PolarHBondContact O-N 3.11Å
626	K	27.9	Very low	48.4	Very low	195 Å²	195	130.9 Å²	130.9	85%	0.848	73%	0.727	S	S	*	*			trans	-66.7	105.1	146.8	-78	-173.1	175	-174.5	0	104.2	V628	K626-V628 PolarHBondContact O-N 2.9Å; K626-V628 VanDerWaalsContact O-N 3.1Å
627	L	27.7	Very low	45.3	Very low	164 Å²	164	134.8 Å²	134.8	86%	0.859	74%	0.738	S	S	*	*			trans	-54.2	113.7	154.7	-85.1	150.1	0	0	0	105.1	L625	L625-L627 VanDerWaalsContact C-N 3.3Å; L625-L627 PolarHBondContact O-N 3.11Å
628	V	41.6	Very low	42	Very low	206 Å²	206	141.5 Å²	141.5	100%	1.248	78%	0.784	S	S	*	*			trans	-72.1	0	163.1	174.7	0	0	0	0	107.2	K626	K626-V628 PolarHBondContact O-N 2.9Å; K626-V628 VanDerWaalsContact O-N 3.1Å

Retrieved 628 of 628 residues in 979.3 ms (Link to these results)

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