A0A087XBX2_POEFO Loading...

Double-strand break repair protein

Core component of the MRN complex, which plays a central role in double-strand break (DSB) repair, DNA recombination, maintenance of telomere integrity and meiosis. The MRN complex is involved in the repair of DNA double-strand breaks (DSBs) via homologous recombination (HR), an error-free mechanism which primarily occurs during S and G2 phases. The complex (1) mediates the end resection of damaged DNA, which generates proper single-stranded DNA, a key initial steps in HR, and is (2) required for the recruitment of other repair factors and efficient activation of ATM and ATR upon DNA damage. Within the MRN complex, MRE11 possesses both single-strand endonuclease activity and double-strand-specific 3'-5' exonuclease activity. MRE11 first endonucleolytically cleaves the 5' strand at DNA DSB ends to prevent non-homologous end joining (NHEJ) and licence HR. It then generates a single-stranded DNA gap via 3' to 5' exonucleolytic degradation, which is required for single-strand invasion and recombination.

AlphaFold DB , UniProt , Accession A0A087XBX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 722 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.8	Low	56.1	Low	187 Å²	187	119.2 Å²	119.2	92%	0.921	64%	0.636	S	S	*	*				0	-47.6	0	-89.7	-173.5	159.1	0	0	113.8	I3 I4	M1-I3 VanDerWaalsContact C-N 3.3Å; M1-I3 PolarHBondContact O-N 2.88Å; M1-I4 WeakPolarHBondContact O-CB 3.01Å; M1-I4 PolarHBondContact O-N 3.21Å
2	S	51.9	Low	56.3	Low	102 Å²	102	118.3 Å²	118.3	71%	0.713	63%	0.631	S	S	*	*	H	α-helix	trans	-51.9	-35.9	-166.3	-34.5	0	0	0	0	116.6	I4 Y5 L6	S2-I4 VanDerWaalsContact C-N 3.31Å; S2-I4 PolarHBondContact O-N 2.83Å; S2-Y5 PolarHBondContact O-N 2.84Å; S2-L6 PolarHBondContact O-N 3.14Å; S2-L6 VanDerWaalsContact O-N 3.08Å
3	I	56	Low	56.3	Low	151 Å²	151	118.5 Å²	118.5	77%	0.774	63%	0.625	S	S	*	*	H	α-helix	trans	-62.9	-35.6	177.8	-61	173.9	0	0	0	112	M1 L6 S7	M1-I3 VanDerWaalsContact C-N 3.3Å; M1-I3 PolarHBondContact O-N 2.88Å; I3-L6 PolarHBondContact O-N 2.89Å; I3-S7 PolarHBondContact O-N 2.79Å; I3-S7 VanDerWaalsContact O-N 3.11Å
4	I	62.4	Low	55.9	Low	112 Å²	112	123.9 Å²	123.9	57%	0.574	63%	0.633	S	S	*	*	H	α-helix	trans	-68.6	-42.4	179.1	-61.8	172.2	0	0	0	110.1	M1 S2 S7 L8	M1-I4 WeakPolarHBondContact O-CB 3.01Å; M1-I4 PolarHBondContact O-N 3.21Å; S2-I4 VanDerWaalsContact C-N 3.31Å; S2-I4 PolarHBondContact O-N 2.83Å; I4-S7 PolarHBondContact O-N 2.7Å; I4-L8 HydrophobicContact CG2-CD1 4.04Å; I4-L8 PolarHBondContact O-N 3.27Å
5	Y	54.7	Low	55.9	Low	159 Å²	159	119.7 Å²	119.7	62%	0.624	62%	0.62	S	S	*	*	H	α-helix	trans	-62.5	-42.6	175.5	-88.1	-87.9	0	0	0	112.3	S2 S7 L8 F9	S2-Y5 PolarHBondContact O-N 2.84Å; Y5-S7 VanDerWaalsContact C-N 3.35Å; Y5-S7 PolarHBondContact O-N 2.86Å; Y5-L8 PolarHBondContact O-N 3.42Å; Y5-F9 WeakPolarHBondContact O-CB 3.46Å; Y5-F9 PolarHBondContact O-N 3Å
6	L	55.8	Low	56	Low	137 Å²	137	120.6 Å²	120.6	72%	0.717	62%	0.62	S	S	*	*	H	α-helix	trans	-66	-37.9	179.6	-155.4	74.1	0	0	0	112.2	S2 I3 C10	S2-L6 PolarHBondContact O-N 3.14Å; S2-L6 VanDerWaalsContact O-N 3.08Å; I3-L6 PolarHBondContact O-N 2.89Å; L6-C10 WeakPolarHBondContact O-CB 3.05Å; L6-C10 PolarHBondContact O-N 3.16Å; L6-C10 VanDerWaalsContact O-N 3.1Å
7	S	55.5	Low	55.9	Low	81 Å²	81	119.9 Å²	119.9	57%	0.566	62%	0.617	S	S	*	*	H	α-helix	trans	-63.7	-47.8	173.7	-174.1	0	0	0	0	112	I3 I4 Y5 F9 C10 S11	I3-S7 PolarHBondContact O-N 2.79Å; I3-S7 VanDerWaalsContact O-N 3.11Å; I4-S7 PolarHBondContact O-N 2.7Å; Y5-S7 VanDerWaalsContact C-N 3.35Å; Y5-S7 PolarHBondContact O-N 2.86Å; S7-F9 PolarHBondContact O-N 3.42Å; S7-C10 PolarHBondContact O-N 2.91Å; S7-S11 WeakPolarHBondContact O-CB 3.22Å; S7-S11 PolarHBondContact O-N 3.49Å
8	L	58	Low	55.7	Low	97 Å²	97	118.7 Å²	118.7	51%	0.508	61%	0.611	S	S	.	*	H	α-helix	trans	-60.1	-43.5	176	-89.8	157.2	0	0	0	112.4	I4 Y5 S11 L12	I4-L8 HydrophobicContact CG2-CD1 4.04Å; I4-L8 PolarHBondContact O-N 3.27Å; Y5-L8 PolarHBondContact O-N 3.42Å; L8-S11 PolarHBondContact O-N 2.81Å; L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 WeakPolarHBondContact O-CG 3.23Å; L8-L12 PolarHBondContact O-N 3.23Å
9	F	59	Low	55.7	Low	144 Å²	144	116.3 Å²	116.3	63%	0.632	60%	0.602	S	S	*	*	H	α-helix	trans	-63.2	-46	178.9	-131.4	-90.3	0	0	0	111.8	Y5 S7 S11 L12 Q13	Y5-F9 WeakPolarHBondContact O-CB 3.46Å; Y5-F9 PolarHBondContact O-N 3Å; S7-F9 PolarHBondContact O-N 3.42Å; F9-S11 PolarHBondContact O-N 2.76Å; F9-L12 PolarHBondContact O-N 3.14Å; F9-Q13 WeakPolarHBondContact O-CB 3.46Å; F9-Q13 PolarHBondContact O-N 3.23Å
10	C	53.8	Low	55.3	Low	72 Å²	72	113.6 Å²	113.6	49%	0.486	59%	0.593	S	S	.	*	H	α-helix	trans	-64.4	-41.2	178.2	-163	0	0	0	0	111.9	L6 S7 Q13 W14	L6-C10 WeakPolarHBondContact O-CB 3.05Å; L6-C10 PolarHBondContact O-N 3.16Å; L6-C10 VanDerWaalsContact O-N 3.1Å; S7-C10 PolarHBondContact O-N 2.91Å; C10-Q13 PolarHBondContact O-N 2.96Å; C10-W14 WeakPolarHBondContact O-CB 3.37Å; C10-W14 PolarHBondContact O-N 2.88Å
11	S	57.8	Low	54.9	Low	69 Å²	69	114 Å²	114	48%	0.483	59%	0.592	S	S	.	*	H	α-helix	trans	-65.9	-41.1	176.8	-176.9	0	0	0	0	112.9	S7 L8 F9 S15	S7-S11 WeakPolarHBondContact O-CB 3.22Å; S7-S11 PolarHBondContact O-N 3.49Å; L8-S11 PolarHBondContact O-N 2.81Å; F9-S11 PolarHBondContact O-N 2.76Å; S11-S15 WeakPolarHBondContact O-CB 3.48Å; S11-S15 PolarHBondContact O-N 2.92Å; S11-S15 PolarHBondContact O-OG 2.64Å
12	L	58.7	Low	54.8	Low	109 Å²	109	110.2 Å²	110.2	57%	0.571	58%	0.575	S	S	*	*	H	α-helix	trans	-62.5	-44	172.6	-84.3	160.5	0	0	0	111.6	L8 F9 S15 H16	L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 WeakPolarHBondContact O-CG 3.23Å; L8-L12 PolarHBondContact O-N 3.23Å; F9-L12 PolarHBondContact O-N 3.14Å; L12-S15 PolarHBondContact O-N 2.86Å; L12-H16 WeakPolarHBondContact O-CB 3.45Å; L12-H16 PolarHBondContact O-N 3.33Å
13	Q	57.1	Low	54.5	Low	120 Å²	120	110.2 Å²	110.2	56%	0.561	57%	0.567	S	S	*	*	H	α-helix	trans	-70.2	-37.8	-178.2	-162.2	163.9	1.8	0	0	112.4	F9 C10 H16 L17	F9-Q13 WeakPolarHBondContact O-CB 3.46Å; F9-Q13 PolarHBondContact O-N 3.23Å; C10-Q13 PolarHBondContact O-N 2.96Å; Q13-H16 PolarHBondContact O-N 3.24Å; Q13-L17 WeakPolarHBondContact O-CD1 3.03Å; Q13-L17 PolarHBondContact O-N 3.28Å
14	W	49.5	Very low	53.9	Low	195 Å²	195	108.5 Å²	108.5	74%	0.739	56%	0.559	S	S	*	*	H	α-helix	trans	-62.6	-45.1	168.2	-96.8	62.3	0	0	0	112.2	C10 H16 L17 L18	C10-W14 WeakPolarHBondContact O-CB 3.37Å; C10-W14 PolarHBondContact O-N 2.88Å; W14-H16 VanDerWaalsContact C-N 3.28Å; W14-H16 PolarHBondContact O-N 2.77Å; W14-L17 PolarHBondContact O-N 2.77Å; W14-L18 WeakPolarHBondContact O-CB 3.34Å; W14-L18 PolarHBondContact O-N 3.3Å
15	S	57.1	Low	53	Low	61 Å²	61	112.3 Å²	112.3	43%	0.427	57%	0.566	S	S	.	*	H	α-helix	trans	-60.8	-39.2	177.3	-58.7	0	0	0	0	111.4	S11 L12 L18 T19	S11-S15 WeakPolarHBondContact O-CB 3.48Å; S11-S15 PolarHBondContact O-N 2.92Å; S11-S15 PolarHBondContact O-OG 2.64Å; L12-S15 PolarHBondContact O-N 2.86Å; S15-L18 PolarHBondContact O-N 2.75Å; S15-T19 WeakPolarHBondContact O-CB 3.39Å; S15-T19 PolarHBondContact O-N 3.36Å; S15-T19 PolarHBondContact O-OG1 2.81Å
16	H	57	Low	52.3	Low	134 Å²	134	107.1 Å²	107.1	62%	0.62	56%	0.556	S	S	*	*	H	α-helix	trans	-66.6	-44	177.1	-130.4	-51.5	0	0	0	112.1	L12 Q13 W14 T19 C20	L12-H16 WeakPolarHBondContact O-CB 3.45Å; L12-H16 PolarHBondContact O-N 3.33Å; Q13-H16 PolarHBondContact O-N 3.24Å; W14-H16 VanDerWaalsContact C-N 3.28Å; W14-H16 PolarHBondContact O-N 2.77Å; H16-T19 PolarHBondContact O-N 2.98Å; H16-C20 WeakPolarHBondContact O-CB 3.43Å; H16-C20 PolarHBondContact O-N 2.66Å; H16-C20 PolarHBondContact O-SG 3.14Å
17	L	54.6	Low	51.4	Low	109 Å²	109	103.8 Å²	103.8	57%	0.571	54%	0.544	S	S	*	.	H	α-helix	trans	-60.1	-46.1	173.1	-100.4	83.7	0	0	0	111.7	Q13 W14 T19 C20 Q21	Q13-L17 WeakPolarHBondContact O-CD1 3.03Å; Q13-L17 PolarHBondContact O-N 3.28Å; W14-L17 PolarHBondContact O-N 2.77Å; L17-T19 VanDerWaalsContact C-N 3.34Å; L17-T19 PolarHBondContact O-N 2.85Å; L17-C20 PolarHBondContact O-N 3.22Å; L17-Q21 WeakPolarHBondContact O-CG 3.43Å; L17-Q21 PolarHBondContact O-N 3.18Å
18	L	52	Low	50.6	Low	97 Å²	97	104.3 Å²	104.3	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-65.1	-39.5	-178.5	-150.5	76.9	0	0	0	111.4	W14 S15 Q21 L22	W14-L18 WeakPolarHBondContact O-CB 3.34Å; W14-L18 PolarHBondContact O-N 3.3Å; S15-L18 PolarHBondContact O-N 2.75Å; L18-Q21 PolarHBondContact O-N 2.8Å; L18-L22 HydrophobicContact CG-CD1 4.49Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 2.9Å
19	T	55.1	Low	49.6	Very low	73 Å²	73	104.1 Å²	104.1	45%	0.448	55%	0.55	S	S	.	.	H	α-helix	trans	-67.6	-39.3	175.7	-52.1	0	0	0	0	111.4	S15 H16 L17 L22 L23	S15-T19 WeakPolarHBondContact O-CB 3.39Å; S15-T19 PolarHBondContact O-N 3.36Å; S15-T19 PolarHBondContact O-OG1 2.81Å; H16-T19 PolarHBondContact O-N 2.98Å; L17-T19 VanDerWaalsContact C-N 3.34Å; L17-T19 PolarHBondContact O-N 2.85Å; T19-L22 PolarHBondContact O-N 2.84Å; T19-L23 HydrophobicContact CG2-CD1 4.05Å; T19-L23 HydrophobicContact CG2-CG 4.5Å; T19-L23 WeakPolarHBondContact O-CB 3.18Å; T19-L23 WeakPolarHBondContact O-CG 3.45Å; T19-L23 PolarHBondContact O-N 2.93Å
20	C	47.7	Very low	48.4	Very low	62 Å²	62	102.3 Å²	102.3	42%	0.419	55%	0.55	S	S	.	.	H	α-helix	trans	-66.6	-38.9	173.6	-69.2	0	0	0	0	112.4	H16 L17 L23 N24	H16-C20 WeakPolarHBondContact O-CB 3.43Å; H16-C20 PolarHBondContact O-N 2.66Å; H16-C20 PolarHBondContact O-SG 3.14Å; L17-C20 PolarHBondContact O-N 3.22Å; C20-L23 PolarHBondContact O-N 2.83Å; C20-N24 WeakPolarHBondContact O-CB 3.4Å; C20-N24 PolarHBondContact O-N 2.85Å
21	Q	48.3	Very low	47.3	Very low	123 Å²	123	105.4 Å²	105.4	58%	0.575	56%	0.559	S	S	*	*	H	α-helix	trans	-65.6	-38.2	173.3	-75.6	-178.2	-18.9	0	0	112.2	L17 L18 R25	L17-Q21 WeakPolarHBondContact O-CG 3.43Å; L17-Q21 PolarHBondContact O-N 3.18Å; L18-Q21 PolarHBondContact O-N 2.8Å; Q21-R25 WeakPolarHBondContact O-CB 3.24Å; Q21-R25 PolarHBondContact O-N 2.87Å
22	L	47.9	Very low	46.2	Very low	107 Å²	107	105 Å²	105	56%	0.56	56%	0.556	S	S	*	*	H	α-helix	trans	-70	-37.8	175.1	-74.9	165.8	0	0	0	112.3	L18 T19 R25 A26	L18-L22 HydrophobicContact CG-CD1 4.49Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 2.9Å; T19-L22 PolarHBondContact O-N 2.84Å; L22-R25 PolarHBondContact O-N 2.91Å; L22-A26 VanDerWaalsContact O-CB 3.26Å; L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 2.95Å
23	L	45.5	Very low	44.9	Very low	103 Å²	103	103.5 Å²	103.5	54%	0.539	56%	0.555	S	S	.	*	H	α-helix	trans	-68.7	-40.2	174.5	-78.7	166.6	0	0	0	112.3	T19 C20 A26 S27	T19-L23 HydrophobicContact CG2-CD1 4.05Å; T19-L23 HydrophobicContact CG2-CG 4.5Å; T19-L23 WeakPolarHBondContact O-CB 3.18Å; T19-L23 WeakPolarHBondContact O-CG 3.45Å; T19-L23 PolarHBondContact O-N 2.93Å; C20-L23 PolarHBondContact O-N 2.83Å; L23-A26 PolarHBondContact O-N 3.01Å; L23-S27 WeakPolarHBondContact O-CB 3.42Å; L23-S27 PolarHBondContact O-N 2.91Å; L23-S27 PolarHBondContact O-OG 3.24Å
24	N	44.4	Very low	43.7	Very low	114 Å²	114	105.9 Å²	105.9	61%	0.61	57%	0.566	S	S	*	*	H	α-helix	trans	-65	-43.1	172.5	-78.4	5.3	0	0	0	111.1	C20 S27 C28	C20-N24 WeakPolarHBondContact O-CB 3.4Å; C20-N24 PolarHBondContact O-N 2.85Å; N24-S27 PolarHBondContact O-N 2.61Å; N24-C28 PolarHBondContact O-N 3.5Å; N24-C28 PolarHBondContact O-SG 3.46Å; N24-C28 VanDerWaalsContact O-SG 3.32Å
25	R	42.9	Very low	43.4	Very low	192 Å²	192	101.3 Å²	101.3	73%	0.725	56%	0.556	S	S	*	*	H	α-helix	trans	-61.8	-43.3	173.1	-84.4	-174.9	163.3	-170.4	-5.6	112.5	Q21 L22 C28 V29	Q21-R25 WeakPolarHBondContact O-CB 3.24Å; Q21-R25 PolarHBondContact O-N 2.87Å; L22-R25 PolarHBondContact O-N 2.91Å; R25-C28 PolarHBondContact O-N 3.24Å; R25-V29 WeakPolarHBondContact O-CB 3.27Å; R25-V29 VanDerWaalsContact O-CG2 3.28Å; R25-V29 WeakPolarHBondContact O-CG2 3.34Å; R25-V29 PolarHBondContact O-N 3.27Å
26	A	40.3	Very low	42.8	Very low	50 Å²	50	102.2 Å²	102.2	41%	0.413	56%	0.559	S	S	.	*	H	α-helix	trans	-63.7	-42.1	177.5	0	0	0	0	0	111.8	L22 L23 V29 V30	L22-A26 VanDerWaalsContact O-CB 3.26Å; L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 2.95Å; L23-A26 PolarHBondContact O-N 3.01Å; A26-V29 PolarHBondContact O-N 3.12Å; A26-V30 WeakPolarHBondContact O-CG2 3.2Å; A26-V30 PolarHBondContact O-N 2.86Å
27	S	36.6	Very low	42.4	Very low	68 Å²	68	102 Å²	102	48%	0.476	56%	0.562	S	S	.	*	H	α-helix	trans	-64	-43.9	176.5	-55.8	0	0	0	0	111.6	L23 N24 V29 V30 M31	L23-S27 WeakPolarHBondContact O-CB 3.42Å; L23-S27 PolarHBondContact O-N 2.91Å; L23-S27 PolarHBondContact O-OG 3.24Å; N24-S27 PolarHBondContact O-N 2.61Å; S27-V29 PolarHBondContact O-N 2.75Å; S27-V30 PolarHBondContact O-N 3.4Å; S27-M31 WeakPolarHBondContact O-CB 3.47Å; S27-M31 WeakPolarHBondContact O-CG 3.43Å; S27-M31 PolarHBondContact O-N 3.28Å
28	C	38.4	Very low	42.6	Very low	91 Å²	91	101.2 Å²	101.2	62%	0.615	56%	0.558	S	S	*	*	H	α-helix	trans	-62.9	-40	173.6	-68.5	0	0	0	0	112.7	N24 R25 S32	N24-C28 PolarHBondContact O-N 3.5Å; N24-C28 PolarHBondContact O-SG 3.46Å; N24-C28 VanDerWaalsContact O-SG 3.32Å; R25-C28 PolarHBondContact O-N 3.24Å; C28-S32 WeakPolarHBondContact O-CB 3.37Å; C28-S32 PolarHBondContact O-N 3.1Å
29	V	37.2	Very low	43.9	Very low	94 Å²	94	98.6 Å²	98.6	57%	0.57	54%	0.544	S	S	*	.	H	α-helix	trans	-65.9	-46.6	177.6	167.6	0	0	0	0	111.1	R25 A26 S27 M31 S32	R25-V29 WeakPolarHBondContact O-CB 3.27Å; R25-V29 VanDerWaalsContact O-CG2 3.28Å; R25-V29 WeakPolarHBondContact O-CG2 3.34Å; R25-V29 PolarHBondContact O-N 3.27Å; A26-V29 PolarHBondContact O-N 3.12Å; S27-V29 PolarHBondContact O-N 2.75Å; V29-M31 PolarHBondContact O-N 3.49Å; V29-S32 PolarHBondContact O-N 3.03Å; V29-S32 VanDerWaalsContact O-N 3.1Å; V29-S32 PolarHBondContact O-OG 3.44Å
30	V	33.8	Very low	45.4	Very low	105 Å²	105	101.5 Å²	101.5	64%	0.636	55%	0.553	S	S	*	*	H	α-helix	trans	-67.9	-34.1	179.7	175.1	0	0	0	0	112	A26 S27 S32 S33	A26-V30 WeakPolarHBondContact O-CG2 3.2Å; A26-V30 PolarHBondContact O-N 2.86Å; S27-V30 PolarHBondContact O-N 3.4Å; V30-S32 VanDerWaalsContact C-N 3.31Å; V30-S32 PolarHBondContact O-N 3.47Å; V30-S33 PolarHBondContact O-OG 3.23Å
31	M	32	Very low	47.6	Very low	138 Å²	138	100.7 Å²	100.7	68%	0.68	54%	0.544	S	S	*	.	H	α-helix	trans	-75.9	-13.6	171.9	-71.6	-158.9	72.9	0	0	114.2	S27 V29 N35	S27-M31 WeakPolarHBondContact O-CB 3.47Å; S27-M31 WeakPolarHBondContact O-CG 3.43Å; S27-M31 PolarHBondContact O-N 3.28Å; V29-M31 PolarHBondContact O-N 3.49Å; M31-N35 PolarHBondContact O-ND2 3.48Å
32	S	34.4	Very low	49.8	Very low	59 Å²	59	95.1 Å²	95.1	41%	0.413	52%	0.519	S	S	.	.	H	α-helix	trans	-78.6	-36.7	178.2	71.5	0	0	0	0	113	C28 V29 V30 E34 N35 T36	C28-S32 WeakPolarHBondContact O-CB 3.37Å; C28-S32 PolarHBondContact O-N 3.1Å; V29-S32 PolarHBondContact O-N 3.03Å; V29-S32 VanDerWaalsContact O-N 3.1Å; V29-S32 PolarHBondContact O-OG 3.44Å; V30-S32 VanDerWaalsContact C-N 3.31Å; V30-S32 PolarHBondContact O-N 3.47Å; S32-E34 VanDerWaalsContact C-N 3.35Å; S32-E34 PolarHBondContact O-N 2.96Å; S32-N35 PolarHBondContact O-N 3.22Å; S32-T36 PolarHBondContact O-N 3.45Å
33	S	31.4	Very low	52.1	Low	78 Å²	78	90 Å²	90	55%	0.545	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-17.2	-167.7	45.2	0	0	0	0	116.3	V30	V30-S33 PolarHBondContact O-OG 3.23Å
34	E	31.5	Very low	54.6	Low	171 Å²	171	86.2 Å²	86.2	80%	0.799	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-20.3	174.3	-65.9	-172.2	146.9	0	0	112.7	S32	S32-E34 VanDerWaalsContact C-N 3.35Å; S32-E34 PolarHBondContact O-N 2.96Å
35	N	42.4	Very low	57.2	Low	98 Å²	98	80.8 Å²	80.8	52%	0.524	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-23.6	-178	-76.2	-64.5	0	0	0	113.7	M31 S32 L37 D38 D39	M31-N35 PolarHBondContact O-ND2 3.48Å; S32-N35 PolarHBondContact O-N 3.22Å; N35-L37 VanDerWaalsContact C-N 3.29Å; N35-L37 PolarHBondContact O-N 2.66Å; N35-D38 PolarHBondContact O-N 2.9Å; N35-D38 VanDerWaalsContact O-N 3.12Å; N35-D39 PolarHBondContact O-N 2.98Å
36	T	46.2	Very low	59.8	Low	80 Å²	80	71.6 Å²	71.6	49%	0.491	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-34.2	-175.4	43.6	0	0	0	0	113.8	S32 D38	S32-T36 PolarHBondContact O-N 3.45Å; T36-D38 VanDerWaalsContact C-N 3.3Å; T36-D38 PolarHBondContact O-N 3.42Å
37	L	47.3	Very low	62.5	Low	130 Å²	130	69.3 Å²	69.3	68%	0.681	39%	0.388	S	S	*	.	H	α-helix	trans	-73.5	-18.7	179.4	-66	172	0	0	0	113.5	N35	N35-L37 VanDerWaalsContact C-N 3.29Å; N35-L37 PolarHBondContact O-N 2.66Å
38	D	59.3	Low	65.4	Low	93 Å²	93	66.1 Å²	66.1	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-86.8	-29.3	178.4	-156.7	58.6	0	0	0	112	N35 T36 T42 K320	N35-D38 PolarHBondContact O-N 2.9Å; N35-D38 VanDerWaalsContact O-N 3.12Å; T36-D38 VanDerWaalsContact C-N 3.3Å; T36-D38 PolarHBondContact O-N 3.42Å; D38-T42 PolarHBondContact O-OG1 3.41Å; D38-K320 VanDerWaalsContact CG-NZ 3.33Å; D38-K320 PolarHBondContact O-NZ 3.2Å; D38-K320 IonicContact OD1-NZ 3.5Å; D38-K320 PolarHBondContact OD1-NZ 3.07Å; D38-K320 IonicContact OD2-NZ 3.53Å
39	D	79.6	Confident	68.2	Low	41 Å²	41	61.9 Å²	61.9	22%	0.219	34%	0.337	C	S	.	.	H	α-helix	trans	-76.2	-22.1	180	-106.2	-5	0	0	0	113.8	N35 D41 T42 K44 K201 R318	N35-D39 PolarHBondContact O-N 2.98Å; D39-D41 PolarHBondContact O-N 3.33Å; D39-T42 PolarHBondContact O-N 2.94Å; D39-K44 WeakPolarHBondContact OD1-CE 3.45Å; D39-K44 IonicContact OD1-NZ 2.71Å; D39-K44 WeakPolarHBondContact OD2-CE 3.42Å; D39-K44 IonicContact OD2-NZ 2.69Å; D39-K44 PolarHBondContact OD2-NZ 2.92Å; D39-K201 PolarHBondContact O-NZ 3.11Å; D39-R318 IonicContact OD1-CZ 2.84Å; D39-R318 IonicContact OD1-NH1 3.59Å; D39-R318 PolarHBondContact OD1-NH1 3.14Å; D39-R318 IonicContact OD1-NH2 3.19Å
40	E	86.8	Confident	71.1	Confident	134 Å²	134	57.4 Å²	57.4	63%	0.626	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-38.7	176.9	-75.6	-177.3	-169.5	0	0	112.6	K201	E40-K201 WeakPolarHBondContact O-CE 3.32Å; E40-K201 WeakPolarHBondContact O-CG 3.45Å
41	D	93	Very high	74.1	Confident	45 Å²	45	52.4 Å²	52.4	24%	0.241	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.8	176.7	-90.9	-6.9	0	0	0	113.4	D39 G202 S203 T204 K320	D39-D41 PolarHBondContact O-N 3.33Å; D41-G202 WeakPolarHBondContact OD1-CA 3.49Å; D41-S203 PolarHBondContact OD1-N 2.94Å; D41-S203 PolarHBondContact OD1-OG 2.89Å; D41-S203 PolarHBondContact OD2-OG 3.38Å; D41-T204 VanDerWaalsContact O-CB 3.27Å; D41-T204 WeakPolarHBondContact O-CB 3.32Å; D41-T204 PolarHBondContact O-OG1 3.36Å; D41-K320 HydrophobicContact CB-CD 4.48Å; D41-K320 HydrophobicContact CB-CG 4.44Å
42	T	95.2	Very high	77.2	Confident	6 Å²	6	45.9 Å²	45.9	4%	0.037	25%	0.248	C	C	.	.			trans	-109.5	117.9	-171	-59.7	0	0	0	0	111.3	D38 D39 K44 K201 R318 V319 K320	D38-T42 PolarHBondContact O-OG1 3.41Å; D39-T42 PolarHBondContact O-N 2.94Å; T42-K44 PolarHBondContact O-N 3Å; T42-K201 WeakPolarHBondContact O-CE 3.37Å; T42-K201 PolarHBondContact O-NZ 3.43Å; T42-R318 HydrophobicContact CG2-CB 4.09Å; T42-R318 HydrophobicContact CG2-CG 4.4Å; T42-V319 CarbonylContact C-O 3.5Å; T42-V319 WeakPolarHBondContact CA-O 3.16Å; T42-K320 WeakPolarHBondContact OG1-CD 3.48Å
43	F	96.7	Very high	80.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	128.6	167.6	-80.2	-81.7	0	0	0	110.1	I45 D83 F84 F121 L199 K201 T204 L206 R318 V319	F43-I45 HydrophobicContact CB-CD1 4.3Å; F43-I45 HydrophobicContact CB-CG1 4.25Å; F43-D83 WeakPolarHBondContact CA-OD2 3.45Å; F43-F84 HydrophobicContact CD1-CD1 4.41Å; F43-F84 AromaticContact CD1-CE1 3.85Å; F43-F84 HydrophobicContact CD1-CE1 3.85Å; F43-F84 HydrophobicContact CE1-CE1 4.07Å; F43-F121 HydrophobicContact CE1-CB 3.67Å; F43-F121 HydrophobicContact CE1-CD1 4.15Å; F43-F121 HydrophobicContact CE1-CD2 4.26Å; F43-F121 AromaticContact CE1-CG 3.77Å; F43-F121 HydrophobicContact CE1-CG 3.77Å; F43-F121 HydrophobicContact CZ-CB 4.05Å; F43-L199 HydrophobicContact CE1-CB 4.23Å; F43-L199 HydrophobicContact CZ-CB 3.79Å; F43-K201 HydrophobicContact CD1-CB 4.16Å; F43-K201 HydrophobicContact CD1-CD 4.27Å; F43-K201 HydrophobicContact CD2-CB 3.98Å; F43-K201 HydrophobicContact CE1-CB 3.77Å; F43-K201 HydrophobicContact CE2-CB 3.57Å; F43-K201 HydrophobicContact CG-CB 4.26Å; F43-K201 HydrophobicContact CG-CD 4.4Å; F43-K201 HydrophobicContact CZ-CB 3.46Å; F43-K201 VanDerWaalsContact CZ-CB 3.46Å; F43-T204 HydrophobicContact CD2-CG2 3.74Å; F43-T204 HydrophobicContact CE2-CG2 4Å; F43-L206 HydrophobicContact CD1-CD2 4.14Å; F43-L206 HydrophobicContact CD2-CB 4.16Å; F43-L206 HydrophobicContact CD2-CD2 4.07Å; F43-L206 HydrophobicContact CE1-CD2 4.17Å; F43-L206 HydrophobicContact CE2-CB 3.71Å; F43-L206 HydrophobicContact CE2-CD2 4.11Å; F43-L206 HydrophobicContact CG-CD2 4.07Å; F43-L206 HydrophobicContact CZ-CB 4.14Å; F43-L206 HydrophobicContact CZ-CD2 4.16Å; F43-R318 CarbonylContact O-C 3.57Å; F43-R318 VanDerWaalsContact O-CA 3.28Å; F43-R318 WeakPolarHBondContact O-CA 3.43Å; F43-V319 HydrophobicContact CB-CB 4.32Å; F43-V319 PolarHBondContact N-O 3.11Å; F43-V319 PolarHBondContact O-N 3.06Å
44	K	97.2	Very high	83.2	Confident	23 Å²	23	39.8 Å²	39.8	10%	0.1	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.6	167	-63.5	168.6	-174.3	173.6	0	108.1	D39 T42 Q81 V82 D83 L316	D39-K44 WeakPolarHBondContact OD1-CE 3.45Å; D39-K44 IonicContact OD1-NZ 2.71Å; D39-K44 WeakPolarHBondContact OD2-CE 3.42Å; D39-K44 IonicContact OD2-NZ 2.69Å; D39-K44 PolarHBondContact OD2-NZ 2.92Å; T42-K44 PolarHBondContact O-N 3Å; K44-Q81 WeakPolarHBondContact CD-O 3.28Å; K44-V82 HydrophobicContact CB-CB 4.33Å; K44-D83 PolarHBondContact N-OD2 2.81Å; K44-D83 PolarHBondContact O-N 2.85Å; K44-L316 HydrophobicContact CB-CD1 4.48Å
45	I	98	Very high	86.3	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.7	-175.9	-53.8	168.9	0	0	0	107.9	F43 I47 F84 L86 L206 L243 L317 V319	F43-I45 HydrophobicContact CB-CD1 4.3Å; F43-I45 HydrophobicContact CB-CG1 4.25Å; I45-I47 HydrophobicContact CG2-CG1 4.03Å; I45-F84 WeakPolarHBondContact CA-O 3.29Å; I45-F84 HydrophobicContact CB-CE2 4.44Å; I45-F84 HydrophobicContact CB-CZ 4.47Å; I45-F84 HydrophobicContact CD1-CE1 3.88Å; I45-F84 HydrophobicContact CD1-CE2 4.11Å; I45-F84 HydrophobicContact CD1-CZ 3.44Å; I45-F84 VanDerWaalsContact CD1-CZ 3.44Å; I45-F84 HydrophobicContact CG1-CD1 4.26Å; I45-F84 HydrophobicContact CG1-CE1 3.71Å; I45-F84 HydrophobicContact CG1-CE2 4.03Å; I45-F84 HydrophobicContact CG1-CZ 3.6Å; I45-F84 HydrophobicContact CG2-CD2 3.94Å; I45-F84 HydrophobicContact CG2-CE2 3.61Å; I45-F84 HydrophobicContact CG2-CZ 4.08Å; I45-L86 HydrophobicContact CG2-CB 3.83Å; I45-L206 HydrophobicContact CD1-CD2 3.84Å; I45-L243 HydrophobicContact CD1-CD2 4.18Å; I45-L317 HydrophobicContact CB-CB 4.25Å; I45-L317 HydrophobicContact CD1-CD2 4.11Å; I45-L317 PolarHBondContact N-O 3.05Å; I45-L317 PolarHBondContact O-N 3Å; I45-V319 HydrophobicContact CD1-CG2 4.47Å
46	L	98.3	Very high	88.7	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.5	168.8	-166.1	72.2	0	0	0	109.3	I73 A77 V82 F84 I85 L86 I314 G315	L46-I73 HydrophobicContact CD2-CG2 3.98Å; L46-I73 WeakPolarHBondContact CD2-O 3.45Å; L46-A77 HydrophobicContact CD2-CB 3.67Å; L46-V82 HydrophobicContact CB-CB 4.5Å; L46-V82 HydrophobicContact CB-CG1 4.16Å; L46-V82 HydrophobicContact CB-CG2 4.16Å; L46-F84 PolarHBondContact N-O 3.29Å; L46-F84 VanDerWaalsContact N-O 3.08Å; L46-I85 HydrophobicContact CB-CG1 4.33Å; L46-I85 HydrophobicContact CB-CG2 4.45Å; L46-I85 CarbonylContact O-C 3.56Å; L46-I85 WeakPolarHBondContact O-CA 3.47Å; L46-L86 PolarHBondContact O-N 3.32Å; L46-I314 HydrophobicContact CD1-CD1 3.98Å; L46-I314 HydrophobicContact CD1-CG1 4.2Å; L46-I314 HydrophobicContact CD2-CD1 4.18Å; L46-I314 HydrophobicContact CG-CD1 4.45Å; L46-G315 CarbonylContact C-O 3.57Å; L46-G315 WeakPolarHBondContact CA-O 3.39Å
47	I	98	Very high	90.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.5	179.6	-52.2	-168.5	0	0	0	109.6	I45 L86 V272 P296 G315 L317 M326	I45-I47 HydrophobicContact CG2-CG1 4.03Å; I47-L86 WeakPolarHBondContact CA-O 3.31Å; I47-L86 HydrophobicContact CD1-CD2 4.34Å; I47-L86 HydrophobicContact CG1-CB 4.42Å; I47-V272 HydrophobicContact CD1-CG2 3.88Å; I47-V272 HydrophobicContact CG2-CG1 3.71Å; I47-V272 HydrophobicContact CG2-CG2 4.42Å; I47-P296 HydrophobicContact CG2-CG 3.85Å; I47-G315 PolarHBondContact N-O 3.14Å; I47-G315 PolarHBondContact O-N 2.67Å; I47-L317 HydrophobicContact CD1-CB 3.95Å; I47-L317 HydrophobicContact CD1-CD2 3.77Å; I47-L317 HydrophobicContact CD1-CG 4.47Å; I47-L317 HydrophobicContact CG1-CB 4.29Å; I47-M326 HydrophobicContact CD1-CE 4.11Å
48	S	97.4	Very high	93	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.2	170.4	-167.2	0	0	0	0	109.1	L86 L87 G88	S48-L86 PolarHBondContact N-O 2.96Å; S48-L87 WeakPolarHBondContact O-CA 3.07Å; S48-G88 PolarHBondContact O-N 2.97Å; S48-G88 VanDerWaalsContact O-N 3.12Å
49	T	97.1	Very high	94.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-150.6	164.5	174	-155.9	0	0	0	0	109.5	I51 G88 G274 P296	T49-I51 PolarHBondContact O-N 2.94Å; T49-G88 WeakPolarHBondContact OG1-CA 3.44Å; T49-G88 PolarHBondContact OG1-O 3.03Å; T49-G274 WeakPolarHBondContact OG1-CA 3.26Å; T49-P296 HydrophobicContact CG2-CB 4.05Å; T49-P296 HydrophobicContact CG2-CG 4.23Å
50	D	96.8	Very high	95.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.			trans	52.3	57.3	162.8	-59.9	-138.4	0	0	0	111	G89 D90 H247 G274 H275 H277 S298 S299	D50-G89 PolarHBondContact N-O 3.35Å; D50-D90 CarbonylContact C-O 3.47Å; D50-D90 WeakPolarHBondContact CA-O 3.5Å; D50-D90 HydrophobicContact CB-CB 4.36Å; D50-H247 IonicContact OD1-CE1 2.67Å; D50-H247 PolarHBondContact OD1-CE1 2.95Å; D50-H247 IonicContact OD2-CE1 2.61Å; D50-H247 PolarHBondContact OD2-CE1 3.39Å; D50-H247 IonicContact OD2-ND1 3.85Å; D50-G274 VanDerWaalsContact OD2-C 3.23Å; D50-H275 WeakPolarHBondContact OD1-CA 3.31Å; D50-H275 PolarHBondContact OD1-N 3.14Å; D50-H275 PolarHBondContact OD2-N 2.81Å; D50-H277 IonicContact OD1-CD2 3.67Å; D50-H277 PolarHBondContact OD1-CD2 3.42Å; D50-H277 VanDerWaalsContact OD1-CD2 3.25Å; D50-H277 IonicContact OD1-NE2 3.61Å; D50-H277 PolarHBondContact OD1-NE2 3.38Å; D50-S298 CarbonylContact O-C 3.38Å; D50-S298 VanDerWaalsContact O-CA 3.26Å; D50-S298 WeakPolarHBondContact O-CA 3.24Å; D50-S298 WeakPolarHBondContact O-CB 3.43Å; D50-S299 PolarHBondContact O-N 3.23Å
51	I	97.3	Very high	95.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.168	C	C	.	.			trans	-79	-28.5	-175.8	-69.5	160.1	0	0	0	110.4	T49 L53 L70 I73 L87 D90 L91 S299	T49-I51 PolarHBondContact O-N 2.94Å; I51-L53 VanDerWaalsContact C-N 3.3Å; I51-L53 HydrophobicContact CG2-CB 4.48Å; I51-L53 PolarHBondContact O-N 2.9Å; I51-L70 HydrophobicContact CD1-CD1 4.27Å; I51-L70 HydrophobicContact CG2-CB 4.2Å; I51-L70 HydrophobicContact CG2-CD1 4.4Å; I51-I73 HydrophobicContact CG1-CD1 4.35Å; I51-L87 HydrophobicContact CD1-CD1 4.38Å; I51-L87 HydrophobicContact CD1-CD2 3.75Å; I51-D90 PolarHBondContact N-O 3.48Å; I51-L91 HydrophobicContact CB-CD1 4.18Å; I51-L91 HydrophobicContact CD1-CD1 3.76Å; I51-L91 HydrophobicContact CG2-CD1 4.17Å; I51-S299 WeakPolarHBondContact CA-OG 3.37Å; I51-S299 PolarHBondContact O-OG 2.84Å
52	H	97.2	Very high	95.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.			trans	50.1	48.2	176.1	-73	-74.9	0	0	0	112.4	G54 Y55 D90 H93 H159 H277 T302	H52-G54 PolarHBondContact O-N 2.85Å; H52-Y55 WeakPolarHBondContact O-CB 3.36Å; H52-Y55 PolarHBondContact O-N 2.87Å; H52-D90 IonicContact CE1-OD2 2.69Å; H52-D90 PolarHBondContact CE1-OD2 2.76Å; H52-D90 PolarHBondContact N-O 2.86Å; H52-D90 IonicContact NE2-OD2 3.48Å; H52-D90 PolarHBondContact NE2-OD2 3.08Å; H52-H93 HydrophobicContact CB-CB 4.09Å; H52-H93 AromaticContact CE1-ND1 3.88Å; H52-H93 AromaticContact CG-ND1 3.82Å; H52-H93 AromaticContact ND1-CG 3.86Å; H52-H93 AromaticContact ND1-ND1 2.99Å; H52-H93 PolarHBondContact ND1-ND1 2.69Å; H52-H159 AromaticContact CE1-CD2 3.65Å; H52-H159 AromaticContact CE1-CG 3.85Å; H52-H277 AromaticContact CD2-CE1 3.92Å; H52-H277 AromaticContact CD2-NE2 3.73Å; H52-H277 AromaticContact NE2-CE1 3.42Å; H52-H277 PolarHBondContact NE2-CE1 3.18Å; H52-H277 AromaticContact NE2-NE2 3.05Å; H52-H277 PolarHBondContact NE2-NE2 3.25Å; H52-T302 HydrophobicContact CB-CG2 4.04Å
53	L	97.1	Very high	95.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-60.6	130.4	179	-158.3	72.5	0	0	0	110	I51 F67 L70 L91 F92 H93 C101 C105 M108	I51-L53 VanDerWaalsContact C-N 3.3Å; I51-L53 HydrophobicContact CG2-CB 4.48Å; I51-L53 PolarHBondContact O-N 2.9Å; L53-F67 HydrophobicContact CD1-CD1 3.52Å; L53-F67 HydrophobicContact CD1-CE1 3.78Å; L53-F67 HydrophobicContact CD1-CG 4.14Å; L53-F67 HydrophobicContact CD2-CD1 4.31Å; L53-F67 HydrophobicContact CD2-CE1 4.02Å; L53-F67 HydrophobicContact CG-CD1 3.91Å; L53-F67 HydrophobicContact CG-CE1 3.62Å; L53-F67 HydrophobicContact CG-CZ 4.36Å; L53-L70 HydrophobicContact CD1-CB 4.06Å; L53-L70 HydrophobicContact CD1-CD2 3.71Å; L53-L70 HydrophobicContact CD2-CD2 3.77Å; L53-L70 HydrophobicContact CG-CD2 4.32Å; L53-L91 WeakPolarHBondContact CB-O 3.42Å; L53-L91 PolarHBondContact N-O 2.82Å; L53-F92 HydrophobicContact CB-CD1 4.15Å; L53-F92 HydrophobicContact CD2-CD1 4.36Å; L53-F92 HydrophobicContact CD2-CE1 4.04Å; L53-H93 PolarHBondContact O-N 3.25Å; L53-C101 PolarHBondContact O-SG 2.82Å; L53-C105 HydrophobicContact CD2-CB 3.5Å; L53-C105 VanDerWaalsContact CD2-CB 3.5Å; L53-M108 HydrophobicContact CD1-CE 4.42Å
54	G	94.8	Very high	95.4	Very high	9 Å²	9	32 Å²	32	9%	0.093	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-8.6	-172.6	0	0	0	0	0	115.4	H52 L56 E57 S66	H52-G54 PolarHBondContact O-N 2.85Å; G54-L56 PolarHBondContact O-N 2.81Å; G54-L56 VanDerWaalsContact O-N 3.14Å; G54-E57 VanDerWaalsContact O-CB 3.28Å; G54-E57 WeakPolarHBondContact O-CB 3.43Å; G54-E57 PolarHBondContact O-N 2.87Å; G54-S66 PolarHBondContact N-OG 3.5Å
55	Y	96	Very high	95.4	Very high	29 Å²	29	31.3 Å²	31.3	11%	0.114	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	122.1	174.3	172.8	-95.2	0	0	0	111.5	H52 E57 R62 H93 V300 T302	H52-Y55 WeakPolarHBondContact O-CB 3.36Å; H52-Y55 PolarHBondContact O-N 2.87Å; Y55-E57 PolarHBondContact O-N 2.82Å; Y55-R62 PolarHBondContact OH-NH2 2.94Å; Y55-H93 AromaticContact CD2-CD2 3.87Å; Y55-H93 AromaticContact CD2-CE1 3.67Å; Y55-H93 AromaticContact CD2-ND1 3.89Å; Y55-H93 AromaticContact CD2-NE2 3.61Å; Y55-V300 HydrophobicContact CD1-CG1 3.92Å; Y55-V300 HydrophobicContact CE1-CG1 4.32Å; Y55-T302 HydrophobicContact CD2-CG2 3.9Å; Y55-T302 HydrophobicContact CE2-CG2 4.04Å; Y55-T302 HydrophobicContact CG-CG2 4.21Å; Y55-T302 WeakPolarHBondContact OH-CA 3.48Å; Y55-T302 PolarHBondContact OH-O 2.86Å
56	L	93.6	Very high	95.3	Very high	71 Å²	71	31.4 Å²	31.4	37%	0.372	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	33.8	-174	-61.6	179.4	0	0	0	115.1	G54 K58 D59 G63	G54-L56 PolarHBondContact O-N 2.81Å; G54-L56 VanDerWaalsContact O-N 3.14Å; L56-K58 PolarHBondContact O-N 2.94Å; L56-D59 HydrophobicContact CB-CB 4.11Å; L56-D59 WeakPolarHBondContact O-CB 3.42Å; L56-D59 PolarHBondContact O-N 2.91Å; L56-G63 WeakPolarHBondContact O-CA 3.38Å
57	E	91.5	Very high	95.3	Very high	26 Å²	26	32.1 Å²	32.1	12%	0.121	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-25.8	179.6	179.2	172	-140.9	0	0	114.8	G54 Y55 F67 S98 R100 C101	G54-E57 VanDerWaalsContact O-CB 3.28Å; G54-E57 WeakPolarHBondContact O-CB 3.43Å; G54-E57 PolarHBondContact O-N 2.87Å; Y55-E57 PolarHBondContact O-N 2.82Å; E57-F67 HydrophobicContact CG-CE2 4.22Å; E57-S98 VanDerWaalsContact OE2-CB 3.22Å; E57-S98 WeakPolarHBondContact OE2-CB 3.3Å; E57-S98 PolarHBondContact OE2-OG 3.32Å; E57-R100 VanDerWaalsContact CG-NH1 3.25Å; E57-R100 PolarHBondContact O-NH1 3.11Å; E57-R100 VanDerWaalsContact OE1-CB 3.28Å; E57-R100 WeakPolarHBondContact OE1-CB 3.46Å; E57-R100 WeakPolarHBondContact OE1-CD 3.46Å; E57-R100 WeakPolarHBondContact OE1-CG 3.33Å; E57-R100 IonicContact OE1-CZ 3.87Å; E57-R100 IonicContact OE1-NE 3.16Å; E57-R100 PolarHBondContact OE1-NE 2.82Å; E57-R100 IonicContact OE1-NH1 3.76Å; E57-C101 PolarHBondContact OE1-N 3.15Å
58	K	91.9	Very high	95.2	Very high	204 Å²	204	35.6 Å²	35.6	89%	0.887	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.3	178.6	-63.3	169.1	-175.9	162	0	113.9	L56	L56-K58 PolarHBondContact O-N 2.94Å
59	D	93.6	Very high	95.2	Very high	65 Å²	65	35.5 Å²	35.5	35%	0.348	20%	0.196	S	C	.	.			trans	-82.7	131.7	-179.6	-174.8	-86.3	0	0	0	111.9	L56 I61 R62 G63	L56-D59 HydrophobicContact CB-CB 4.11Å; L56-D59 WeakPolarHBondContact O-CB 3.42Å; L56-D59 PolarHBondContact O-N 2.91Å; D59-I61 VanDerWaalsContact C-N 3.26Å; D59-I61 PolarHBondContact O-N 2.9Å; D59-I61 WeakPolarHBondContact OD1-CA 3.39Å; D59-I61 WeakPolarHBondContact OD1-CB 3.28Å; D59-I61 PolarHBondContact OD1-N 2.83Å; D59-R62 HydrophobicContact CB-CB 4.33Å; D59-R62 PolarHBondContact OD1-N 2.91Å; D59-G63 WeakPolarHBondContact O-CA 3.43Å; D59-G63 PolarHBondContact O-N 2.71Å
60	A	92.6	Very high	95.2	Very high	109 Å²	109	35.7 Å²	35.7	90%	0.901	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-15.1	-174.6	0	0	0	0	0	114.7
61	I	93.3	Very high	95.2	Very high	55 Å²	55	37.6 Å²	37.6	28%	0.282	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-41.3	-179.8	-61.4	170.3	0	0	0	110.7	D59 R335 K390 A420	D59-I61 VanDerWaalsContact C-N 3.26Å; D59-I61 PolarHBondContact O-N 2.9Å; D59-I61 WeakPolarHBondContact OD1-CA 3.39Å; D59-I61 WeakPolarHBondContact OD1-CB 3.28Å; D59-I61 PolarHBondContact OD1-N 2.83Å; I61-R335 PolarHBondContact O-NH2 2.84Å; I61-K390 HydrophobicContact CD1-CD 4.12Å; I61-K390 HydrophobicContact CG2-CB 4.39Å; I61-K390 HydrophobicContact CG2-CD 4.24Å; I61-A420 HydrophobicContact CG2-CB 3.73Å
62	R	94.6	Very high	95.3	Very high	22 Å²	22	38 Å²	38	8%	0.083	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-17.1	-171.1	-60.2	176.1	72.7	-171.6	3	114.5	Y55 D59 S64 D65 A301 A420	Y55-R62 PolarHBondContact OH-NH2 2.94Å; D59-R62 HydrophobicContact CB-CB 4.33Å; D59-R62 PolarHBondContact OD1-N 2.91Å; R62-S64 PolarHBondContact O-N 2.92Å; R62-D65 WeakPolarHBondContact O-CB 3.49Å; R62-D65 VanDerWaalsContact O-CG 3.25Å; R62-D65 PolarHBondContact O-N 2.8Å; R62-A301 PolarHBondContact NH2-O 3.18Å; R62-A420 HydrophobicContact CG-CB 4.11Å
63	G	93.2	Very high	95.3	Very high	5 Å²	5	38.1 Å²	38.1	5%	0.052	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	12.9	-172.3	0	0	0	0	0	117.1	L56 D59 R100	L56-G63 WeakPolarHBondContact O-CA 3.38Å; D59-G63 WeakPolarHBondContact O-CA 3.43Å; D59-G63 PolarHBondContact O-N 2.71Å; G63-R100 PolarHBondContact O-NH2 3.47Å; G63-R100 VanDerWaalsContact O-NH2 3.1Å
64	S	94.5	Very high	95.3	Very high	49 Å²	49	38.3 Å²	38.3	34%	0.343	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-8.1	168.1	58.6	0	0	0	0	113.6	R62 S66 F67 N68	R62-S64 PolarHBondContact O-N 2.92Å; S64-S66 PolarHBondContact O-N 3.41Å; S64-F67 PolarHBondContact O-N 3.4Å; S64-N68 PolarHBondContact O-N 2.77Å; S64-N68 PolarHBondContact O-ND2 2.79Å
65	D	96.3	Very high	95.4	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-49.8	-170.1	-70	-4.8	0	0	0	112.8	R62 F67 N68 T69 R335	R62-D65 WeakPolarHBondContact O-CB 3.49Å; R62-D65 VanDerWaalsContact O-CG 3.25Å; R62-D65 PolarHBondContact O-N 2.8Å; D65-F67 PolarHBondContact O-N 2.87Å; D65-N68 PolarHBondContact O-N 2.8Å; D65-T69 WeakPolarHBondContact O-CB 3.45Å; D65-T69 PolarHBondContact O-N 2.81Å; D65-T69 PolarHBondContact O-OG1 3.36Å; D65-R335 IonicContact OD1-CZ 3.94Å; D65-R335 IonicContact OD1-NE 2.85Å; D65-R335 IonicContact OD1-NH2 3.72Å; D65-R335 PolarHBondContact OD1-NH2 2.7Å; D65-R335 IonicContact OD2-CZ 3.3Å; D65-R335 IonicContact OD2-NE 3.76Å; D65-R335 PolarHBondContact OD2-NE 3.07Å; D65-R335 IonicContact OD2-NH2 2.69Å; D65-R335 PolarHBondContact OD2-NH2 2.96Å
66	S	96.8	Very high	95.5	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.014	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-36.1	180	52.7	0	0	0	0	112.6	G54 S64 T69 L70	G54-S66 PolarHBondContact N-OG 3.5Å; S64-S66 PolarHBondContact O-N 3.41Å; S66-T69 PolarHBondContact O-N 2.8Å; S66-L70 WeakPolarHBondContact O-CB 3.34Å; S66-L70 PolarHBondContact O-N 2.9Å
67	F	97	Very high	95.6	Very high	16 Å²	16	37.2 Å²	37.2	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-67.8	-44	175.8	-59.6	-73.6	0	0	0	112.3	L53 E57 S64 D65 T69 N71 C101 M108	L53-F67 HydrophobicContact CD1-CD1 3.52Å; L53-F67 HydrophobicContact CD1-CE1 3.78Å; L53-F67 HydrophobicContact CD1-CG 4.14Å; L53-F67 HydrophobicContact CD2-CD1 4.31Å; L53-F67 HydrophobicContact CD2-CE1 4.02Å; L53-F67 HydrophobicContact CG-CD1 3.91Å; L53-F67 HydrophobicContact CG-CE1 3.62Å; L53-F67 HydrophobicContact CG-CZ 4.36Å; E57-F67 HydrophobicContact CG-CE2 4.22Å; S64-F67 PolarHBondContact O-N 3.4Å; D65-F67 PolarHBondContact O-N 2.87Å; F67-T69 VanDerWaalsContact C-N 3.32Å; F67-T69 PolarHBondContact O-N 3.29Å; F67-N71 PolarHBondContact O-N 2.91Å; F67-C101 HydrophobicContact CE1-CB 4.26Å; F67-C101 HydrophobicContact CZ-CB 3.99Å; F67-M108 HydrophobicContact CD1-CE 4.11Å
68	N	96.6	Very high	95.8	Very high	73 Å²	73	40 Å²	40	39%	0.39	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-40.7	176.3	-65.7	-25.7	0	0	0	111.1	S64 D65 N71 E72	S64-N68 PolarHBondContact O-N 2.77Å; S64-N68 PolarHBondContact O-ND2 2.79Å; D65-N68 PolarHBondContact O-N 2.8Å; N68-N71 PolarHBondContact O-N 3.4Å; N68-E72 PolarHBondContact O-N 2.8Å
69	T	97.3	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-70	-42.7	179.9	-49.5	0	0	0	0	111.8	D65 S66 F67 N71 E72 I73 L331 T333 V334	D65-T69 WeakPolarHBondContact O-CB 3.45Å; D65-T69 PolarHBondContact O-N 2.81Å; D65-T69 PolarHBondContact O-OG1 3.36Å; S66-T69 PolarHBondContact O-N 2.8Å; F67-T69 VanDerWaalsContact C-N 3.32Å; F67-T69 PolarHBondContact O-N 3.29Å; T69-N71 VanDerWaalsContact C-N 3.31Å; T69-N71 PolarHBondContact O-N 2.85Å; T69-E72 PolarHBondContact O-N 2.9Å; T69-E72 VanDerWaalsContact O-N 3.14Å; T69-I73 HydrophobicContact CG2-CD1 4.15Å; T69-I73 VanDerWaalsContact O-CG1 3.28Å; T69-I73 WeakPolarHBondContact O-CG1 3.04Å; T69-I73 PolarHBondContact O-N 3.41Å; T69-L331 HydrophobicContact CG2-CD1 3.87Å; T69-T333 WeakPolarHBondContact CA-OG1 3.48Å; T69-V334 HydrophobicContact CG2-CG2 3.66Å
70	L	97.7	Very high	96	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-38.4	172.4	179.7	55.9	0	0	0	111.9	I51 L53 S66 I73 L74 L91 M108	I51-L70 HydrophobicContact CD1-CD1 4.27Å; I51-L70 HydrophobicContact CG2-CB 4.2Å; I51-L70 HydrophobicContact CG2-CD1 4.4Å; L53-L70 HydrophobicContact CD1-CB 4.06Å; L53-L70 HydrophobicContact CD1-CD2 3.71Å; L53-L70 HydrophobicContact CD2-CD2 3.77Å; L53-L70 HydrophobicContact CG-CD2 4.32Å; S66-L70 WeakPolarHBondContact O-CB 3.34Å; S66-L70 PolarHBondContact O-N 2.9Å; L70-I73 PolarHBondContact O-N 3.45Å; L70-L74 HydrophobicContact CD1-CD1 3.89Å; L70-L74 HydrophobicContact CD1-CG 3.91Å; L70-L74 HydrophobicContact CG-CD1 3.96Å; L70-L74 HydrophobicContact CG-CG 4.42Å; L70-L74 WeakPolarHBondContact O-CB 3.33Å; L70-L74 VanDerWaalsContact O-CG 3.32Å; L70-L74 WeakPolarHBondContact O-CG 3.09Å; L70-L74 PolarHBondContact O-N 2.98Å; L70-L91 HydrophobicContact CD2-CD1 4.4Å; L70-M108 HydrophobicContact CB-CE 4.24Å; L70-M108 HydrophobicContact CD2-CE 3.71Å; L70-M108 HydrophobicContact CG-CE 4.04Å
71	N	97.4	Very high	96.1	Very high	41 Å²	41	38.4 Å²	38.4	22%	0.219	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-44.4	172.4	-175.7	102.2	0	0	0	111.3	F67 N68 T69 L74 E75 M108 K111 Y112	F67-N71 PolarHBondContact O-N 2.91Å; N68-N71 PolarHBondContact O-N 3.4Å; T69-N71 VanDerWaalsContact C-N 3.31Å; T69-N71 PolarHBondContact O-N 2.85Å; N71-L74 PolarHBondContact O-N 2.83Å; N71-E75 WeakPolarHBondContact O-CB 3.46Å; N71-E75 PolarHBondContact O-N 2.65Å; N71-M108 HydrophobicContact CB-SD 3.9Å; N71-K111 PolarHBondContact OD1-NZ 3.3Å; N71-Y112 PolarHBondContact ND2-OH 3.1Å; N71-Y112 WeakPolarHBondContact OD1-CE2 3.2Å; N71-Y112 PolarHBondContact OD1-OH 3.22Å; N71-Y112 VanDerWaalsContact OD1-OH 3.14Å
72	E	97.8	Very high	96.3	Very high	10 Å²	10	36 Å²	36	5%	0.047	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-42.7	175	178.8	170.1	-155.2	0	0	112.3	N68 T69 E75 C76 L331 K332 T333	N68-E72 PolarHBondContact O-N 2.8Å; T69-E72 PolarHBondContact O-N 2.9Å; T69-E72 VanDerWaalsContact O-N 3.14Å; E72-E75 PolarHBondContact O-N 3.34Å; E72-C76 WeakPolarHBondContact O-CB 3.38Å; E72-C76 PolarHBondContact O-N 2.79Å; E72-C76 PolarHBondContact O-SG 2.76Å; E72-L331 HydrophobicContact CG-CD2 4.15Å; E72-K332 VanDerWaalsContact OE1-CB 3.26Å; E72-K332 WeakPolarHBondContact OE1-CB 3.32Å; E72-K332 VanDerWaalsContact OE1-CG 3.23Å; E72-K332 WeakPolarHBondContact OE1-CG 3.47Å; E72-K332 PolarHBondContact OE1-N 3.49Å; E72-K332 VanDerWaalsContact OE1-N 3.15Å; E72-K332 IonicContact OE1-NZ 3.79Å; E72-K332 PolarHBondContact OE1-NZ 2.77Å; E72-K332 PolarHBondContact OE2-N 2.94Å; E72-T333 HydrophobicContact CB-CG2 4.06Å; E72-T333 WeakPolarHBondContact OE2-CB 3.42Å; E72-T333 WeakPolarHBondContact OE2-CG2 3.34Å; E72-T333 PolarHBondContact OE2-N 3.2Å; E72-T333 PolarHBondContact OE2-OG1 3.15Å
73	I	98	Very high	96.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-61.9	-46.8	-180	-66	164.5	0	0	0	110.9	L46 I51 T69 L70 C76 A77 I314 L331	L46-I73 HydrophobicContact CD2-CG2 3.98Å; L46-I73 WeakPolarHBondContact CD2-O 3.45Å; I51-I73 HydrophobicContact CG1-CD1 4.35Å; T69-I73 HydrophobicContact CG2-CD1 4.15Å; T69-I73 VanDerWaalsContact O-CG1 3.28Å; T69-I73 WeakPolarHBondContact O-CG1 3.04Å; T69-I73 PolarHBondContact O-N 3.41Å; L70-I73 PolarHBondContact O-N 3.45Å; I73-C76 PolarHBondContact O-N 2.83Å; I73-A77 PolarHBondContact O-N 2.98Å; I73-I314 HydrophobicContact CD1-CG2 4.31Å; I73-I314 HydrophobicContact CG1-CD1 4.3Å; I73-I314 HydrophobicContact CG1-CG2 3.97Å; I73-I314 HydrophobicContact CG2-CD1 4.42Å; I73-L331 HydrophobicContact CG1-CD2 3.85Å
74	L	97.9	Very high	96.6	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-70.3	-31.5	179.1	-66	173.1	0	0	0	112.7	L70 N71 A77 K78 I85 M108 L109 Y112	L70-L74 HydrophobicContact CD1-CD1 3.89Å; L70-L74 HydrophobicContact CD1-CG 3.91Å; L70-L74 HydrophobicContact CG-CD1 3.96Å; L70-L74 HydrophobicContact CG-CG 4.42Å; L70-L74 WeakPolarHBondContact O-CB 3.33Å; L70-L74 VanDerWaalsContact O-CG 3.32Å; L70-L74 WeakPolarHBondContact O-CG 3.09Å; L70-L74 PolarHBondContact O-N 2.98Å; N71-L74 PolarHBondContact O-N 2.83Å; L74-A77 WeakPolarHBondContact O-CB 3.47Å; L74-A77 PolarHBondContact O-N 2.95Å; L74-K78 PolarHBondContact O-N 3.41Å; L74-I85 HydrophobicContact CD2-CD1 3.61Å; L74-M108 HydrophobicContact CD1-CB 3.8Å; L74-L109 HydrophobicContact CD1-CD2 4.24Å; L74-L109 HydrophobicContact CD2-CD2 4.04Å; L74-Y112 HydrophobicContact CB-CD1 4.48Å; L74-Y112 HydrophobicContact CB-CD2 3.63Å; L74-Y112 HydrophobicContact CB-CE2 4.33Å; L74-Y112 HydrophobicContact CB-CG 3.72Å; L74-Y112 HydrophobicContact CD1-CD2 4.33Å
75	E	96.9	Very high	96.7	Very high	82 Å²	82	33.3 Å²	33.3	38%	0.383	16%	0.162	S	C	.	.	H	α-helix	trans	-67.1	-45.7	171.6	-167.2	144.1	-96.2	0	0	111	N71 E72 A77 K78 E79 Y112	N71-E75 WeakPolarHBondContact O-CB 3.46Å; N71-E75 PolarHBondContact O-N 2.65Å; E72-E75 PolarHBondContact O-N 3.34Å; E75-A77 VanDerWaalsContact C-N 3.29Å; E75-A77 PolarHBondContact O-N 2.99Å; E75-K78 PolarHBondContact O-N 3.23Å; E75-K78 VanDerWaalsContact O-N 3.1Å; E75-E79 WeakPolarHBondContact O-CG 3.35Å; E75-E79 PolarHBondContact O-N 3.28Å; E75-Y112 HydrophobicContact CB-CD1 4.42Å; E75-Y112 HydrophobicContact CB-CE1 3.65Å; E75-Y112 VanDerWaalsContact CD-OH 3.28Å; E75-Y112 HydrophobicContact CG-CE1 3.91Å; E75-Y112 WeakPolarHBondContact OE1-CE1 3.39Å; E75-Y112 PolarHBondContact OE1-OH 3Å
76	C	96.4	Very high	96.8	Very high	4 Å²	4	33 Å²	33	3%	0.027	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-38	173.9	-67.7	0	0	0	0	112.3	E72 I73 K78 N80 I314	E72-C76 WeakPolarHBondContact O-CB 3.38Å; E72-C76 PolarHBondContact O-N 2.79Å; E72-C76 PolarHBondContact O-SG 2.76Å; I73-C76 PolarHBondContact O-N 2.83Å; C76-K78 VanDerWaalsContact C-N 3.34Å; C76-K78 PolarHBondContact O-N 3.27Å; C76-N80 WeakPolarHBondContact O-CB 3.28Å; C76-N80 PolarHBondContact O-N 3.22Å; C76-N80 PolarHBondContact O-ND2 2.64Å; C76-I314 HydrophobicContact CB-CD1 3.85Å
77	A	96.5	Very high	96.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-45.9	174.5	0	0	0	0	0	111.7	L46 I73 L74 E75 Q81 V82 I85 I150	L46-A77 HydrophobicContact CD2-CB 3.67Å; I73-A77 PolarHBondContact O-N 2.98Å; L74-A77 WeakPolarHBondContact O-CB 3.47Å; L74-A77 PolarHBondContact O-N 2.95Å; E75-A77 VanDerWaalsContact C-N 3.29Å; E75-A77 PolarHBondContact O-N 2.99Å; A77-Q81 PolarHBondContact O-N 3.08Å; A77-V82 HydrophobicContact CB-CG2 3.83Å; A77-V82 PolarHBondContact O-N 2.87Å; A77-I85 HydrophobicContact CB-CD1 3.57Å; A77-I85 HydrophobicContact CB-CG1 3.98Å; A77-I150 HydrophobicContact CB-CD1 4.48Å
78	K	95.3	Very high	96.8	Very high	85 Å²	85	32.5 Å²	32.5	37%	0.37	16%	0.158	S	C	.	.	H	α-helix	trans	-73.1	-38.5	-177.9	-161.3	164	-166	137.2	0	112.5	L74 E75 C76 Q81 K111 Y112 M114 I150	L74-K78 PolarHBondContact O-N 3.41Å; E75-K78 PolarHBondContact O-N 3.23Å; E75-K78 VanDerWaalsContact O-N 3.1Å; C76-K78 VanDerWaalsContact C-N 3.34Å; C76-K78 PolarHBondContact O-N 3.27Å; K78-Q81 PolarHBondContact O-N 2.97Å; K78-K111 PolarHBondContact NZ-O 3.24Å; K78-Y112 HydrophobicContact CB-CD1 4.18Å; K78-Y112 HydrophobicContact CD-CD1 3.82Å; K78-Y112 PolarHBondContact NZ-O 2.73Å; K78-M114 PolarHBondContact NZ-O 3Å; K78-I150 HydrophobicContact CB-CD1 4.32Å
79	E	95.5	Very high	96.7	Very high	139 Å²	139	29.1 Å²	29.1	65%	0.65	14%	0.141	S	C	*	.	H	α-helix	trans	-64.2	-41.8	174.8	-73.7	-169.2	153.1	0	0	112.6	E75 Q81	E75-E79 WeakPolarHBondContact O-CG 3.35Å; E75-E79 PolarHBondContact O-N 3.28Å; E79-Q81 VanDerWaalsContact C-N 3.29Å; E79-Q81 PolarHBondContact O-N 3.14Å
80	N	95.1	Very high	96.7	Very high	54 Å²	54	29.2 Å²	29.2	29%	0.289	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.9	-178.7	-71.8	-88.6	0	0	0	113.7	C76 V82 L316	C76-N80 WeakPolarHBondContact O-CB 3.28Å; C76-N80 PolarHBondContact O-N 3.22Å; C76-N80 PolarHBondContact O-ND2 2.64Å; N80-V82 HydrophobicContact CB-CG1 4Å; N80-V82 PolarHBondContact O-N 2.77Å; N80-L316 HydrophobicContact CB-CD2 4.29Å
81	Q	94.3	Very high	96.7	Very high	150 Å²	150	29.1 Å²	29.1	70%	0.701	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	56.3	-176.5	-59	176.4	12.3	0	0	111.2	K44 A77 K78 E79	K44-Q81 WeakPolarHBondContact CD-O 3.28Å; A77-Q81 PolarHBondContact O-N 3.08Å; K78-Q81 PolarHBondContact O-N 2.97Å; E79-Q81 VanDerWaalsContact C-N 3.29Å; E79-Q81 PolarHBondContact O-N 3.14Å
82	V	96.4	Very high	96.7	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.036	13%	0.13	C	C	.	.			trans	-73	146.1	177.1	-52.7	0	0	0	0	110.5	K44 L46 A77 N80 I85 I150 L316	K44-V82 HydrophobicContact CB-CB 4.33Å; L46-V82 HydrophobicContact CB-CB 4.5Å; L46-V82 HydrophobicContact CB-CG1 4.16Å; L46-V82 HydrophobicContact CB-CG2 4.16Å; A77-V82 HydrophobicContact CB-CG2 3.83Å; A77-V82 PolarHBondContact O-N 2.87Å; N80-V82 HydrophobicContact CB-CG1 4Å; N80-V82 PolarHBondContact O-N 2.77Å; V82-I85 HydrophobicContact CG2-CG1 4.31Å; V82-I150 HydrophobicContact CG2-CG2 3.92Å; V82-L316 HydrophobicContact CG1-CD1 3.6Å
83	D	96.5	Very high	96.6	Very high	16 Å²	16	28.8 Å²	28.8	9%	0.086	14%	0.137	C	C	.	.	S	Bend	trans	-69.5	-41.6	178	-63	-67.8	0	0	0	110.5	F43 K44 T120 F121 P151 K201	F43-D83 WeakPolarHBondContact CA-OD2 3.45Å; K44-D83 PolarHBondContact N-OD2 2.81Å; K44-D83 PolarHBondContact O-N 2.85Å; D83-T120 PolarHBondContact OD1-OG1 3.41Å; D83-F121 HydrophobicContact CB-CD1 3.96Å; D83-F121 HydrophobicContact CB-CE1 4Å; D83-F121 WeakPolarHBondContact O-CE1 3.32Å; D83-P151 WeakPolarHBondContact O-CD 3.26Å; D83-K201 IonicContact OD1-NZ 2.66Å; D83-K201 PolarHBondContact OD1-NZ 3.49Å; D83-K201 IonicContact OD2-NZ 3.91Å; D83-K201 PolarHBondContact OD2-NZ 2.67Å
84	F	97.5	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	167.3	172.7	66.5	-93.8	0	0	0	112.8	F43 I45 L46 L86 F121 P151 F153 L199 L206	F43-F84 HydrophobicContact CD1-CD1 4.41Å; F43-F84 AromaticContact CD1-CE1 3.85Å; F43-F84 HydrophobicContact CD1-CE1 3.85Å; F43-F84 HydrophobicContact CE1-CE1 4.07Å; I45-F84 WeakPolarHBondContact CA-O 3.29Å; I45-F84 HydrophobicContact CB-CE2 4.44Å; I45-F84 HydrophobicContact CB-CZ 4.47Å; I45-F84 HydrophobicContact CD1-CE1 3.88Å; I45-F84 HydrophobicContact CD1-CE2 4.11Å; I45-F84 HydrophobicContact CD1-CZ 3.44Å; I45-F84 VanDerWaalsContact CD1-CZ 3.44Å; I45-F84 HydrophobicContact CG1-CD1 4.26Å; I45-F84 HydrophobicContact CG1-CE1 3.71Å; I45-F84 HydrophobicContact CG1-CE2 4.03Å; I45-F84 HydrophobicContact CG1-CZ 3.6Å; I45-F84 HydrophobicContact CG2-CD2 3.94Å; I45-F84 HydrophobicContact CG2-CE2 3.61Å; I45-F84 HydrophobicContact CG2-CZ 4.08Å; L46-F84 PolarHBondContact N-O 3.29Å; L46-F84 VanDerWaalsContact N-O 3.08Å; F84-L86 HydrophobicContact CE2-CB 4.29Å; F84-F121 HydrophobicContact CB-CE1 4.19Å; F84-F121 HydrophobicContact CB-CZ 4.1Å; F84-F121 HydrophobicContact CD1-CD1 4.48Å; F84-F121 AromaticContact CD1-CE1 3.77Å; F84-F121 HydrophobicContact CD1-CE1 3.77Å; F84-F121 HydrophobicContact CD1-CE2 4.49Å; F84-F121 AromaticContact CD1-CZ 3.78Å; F84-F121 HydrophobicContact CD1-CZ 3.78Å; F84-F121 HydrophobicContact CG-CE1 4.45Å; F84-F121 HydrophobicContact CG-CZ 4.29Å; F84-P151 VanDerWaalsContact CA-O 3.31Å; F84-P151 WeakPolarHBondContact CA-O 3.34Å; F84-P151 HydrophobicContact CB-CB 4.27Å; F84-P151 VanDerWaalsContact CB-O 3.32Å; F84-P151 WeakPolarHBondContact CB-O 3.37Å; F84-F153 HydrophobicContact CB-CD2 4.12Å; F84-F153 HydrophobicContact CB-CE2 4.1Å; F84-F153 AromaticContact CD2-CD2 3.58Å; F84-F153 HydrophobicContact CD2-CD2 3.58Å; F84-F153 HydrophobicContact CD2-CE2 4.1Å; F84-F153 HydrophobicContact CE2-CD2 4.11Å; F84-F153 AromaticContact CG-CD2 3.99Å; F84-F153 HydrophobicContact CG-CD2 3.99Å; F84-F153 HydrophobicContact CG-CE2 4.06Å; F84-L199 HydrophobicContact CE1-CD1 3.81Å; F84-L199 HydrophobicContact CZ-CD1 3.78Å; F84-L206 HydrophobicContact CE1-CD2 4.09Å; F84-L206 HydrophobicContact CZ-CD2 3.93Å
85	I	98.3	Very high	96	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.4	172	-51.8	-179.9	0	0	0	108.8	L46 L74 A77 V82 L87 I150 P151 V152 F153	L46-I85 HydrophobicContact CB-CG1 4.33Å; L46-I85 HydrophobicContact CB-CG2 4.45Å; L46-I85 CarbonylContact O-C 3.56Å; L46-I85 WeakPolarHBondContact O-CA 3.47Å; L74-I85 HydrophobicContact CD2-CD1 3.61Å; A77-I85 HydrophobicContact CB-CD1 3.57Å; A77-I85 HydrophobicContact CB-CG1 3.98Å; V82-I85 HydrophobicContact CG2-CG1 4.31Å; I85-L87 HydrophobicContact CG2-CD2 3.89Å; I85-L87 HydrophobicContact CG2-CG 4.24Å; I85-I150 HydrophobicContact CD1-CG2 4.37Å; I85-I150 HydrophobicContact CG1-CG2 3.93Å; I85-P151 PolarHBondContact N-O 3.1Å; I85-V152 HydrophobicContact CB-CG1 4.3Å; I85-V152 HydrophobicContact CB-CG2 4.24Å; I85-V152 HydrophobicContact CD1-CG2 4.24Å; I85-V152 CarbonylContact O-C 3.52Å; I85-V152 WeakPolarHBondContact O-CA 3.45Å; I85-F153 PolarHBondContact O-N 3.18Å
86	L	98.3	Very high	95.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.9	172.5	177.2	60.5	0	0	0	109.7	I45 L46 I47 S48 F84 F153 F183 L208 L243 A245 V272	I45-L86 HydrophobicContact CG2-CB 3.83Å; L46-L86 PolarHBondContact O-N 3.32Å; I47-L86 WeakPolarHBondContact CA-O 3.31Å; I47-L86 HydrophobicContact CD1-CD2 4.34Å; I47-L86 HydrophobicContact CG1-CB 4.42Å; S48-L86 PolarHBondContact N-O 2.96Å; F84-L86 HydrophobicContact CE2-CB 4.29Å; L86-F153 WeakPolarHBondContact CA-O 3.45Å; L86-F153 HydrophobicContact CD1-CB 4.36Å; L86-F183 HydrophobicContact CD1-CE1 4.05Å; L86-F183 HydrophobicContact CD1-CZ 3.85Å; L86-L208 HydrophobicContact CD1-CD1 4.15Å; L86-L208 HydrophobicContact CD1-CD2 4.46Å; L86-L208 HydrophobicContact CD2-CD1 4.2Å; L86-L243 HydrophobicContact CD2-CD2 3.92Å; L86-L243 HydrophobicContact CD2-CG 4.38Å; L86-A245 HydrophobicContact CD1-CB 4.45Å; L86-V272 HydrophobicContact CD2-CG2 4.23Å
87	L	98.1	Very high	95.6	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.047	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.2	179.3	-60.7	-177.3	0	0	0	111	S48 I51 I85 G89 L91 V152 F153 S154 I155	S48-L87 WeakPolarHBondContact O-CA 3.07Å; I51-L87 HydrophobicContact CD1-CD1 4.38Å; I51-L87 HydrophobicContact CD1-CD2 3.75Å; I85-L87 HydrophobicContact CG2-CD2 3.89Å; I85-L87 HydrophobicContact CG2-CG 4.24Å; L87-G89 VanDerWaalsContact C-N 3.34Å; L87-G89 PolarHBondContact O-N 3.22Å; L87-L91 HydrophobicContact CD1-CD1 4.21Å; L87-L91 HydrophobicContact CD1-CD2 4.36Å; L87-V152 HydrophobicContact CD1-CG1 3.72Å; L87-V152 HydrophobicContact CG-CG1 4.03Å; L87-F153 PolarHBondContact N-O 3.47Å; L87-S154 WeakPolarHBondContact CB-OG 3.3Å; L87-I155 PolarHBondContact O-N 3.13Å
88	G	95.7	Very high	95.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.			trans	-88.1	20.7	-176	0	0	0	0	0	116.1	S48 T49 I155 H247	S48-G88 PolarHBondContact O-N 2.97Å; S48-G88 VanDerWaalsContact O-N 3.12Å; T49-G88 WeakPolarHBondContact OG1-CA 3.44Å; T49-G88 PolarHBondContact OG1-O 3.03Å; G88-I155 VanDerWaalsContact C-CG1 3.5Å; G88-H247 WeakPolarHBondContact O-CB 3.27Å; G88-H247 PolarHBondContact O-ND1 3.49Å
89	G	94.8	Very high	95.4	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.021	22%	0.215	C	C	.	.	S	Bend	trans	98.3	175.7	-175.4	0	0	0	0	0	114.1	D50 L87 L91 I155	D50-G89 PolarHBondContact N-O 3.35Å; L87-G89 VanDerWaalsContact C-N 3.34Å; L87-G89 PolarHBondContact O-N 3.22Å; G89-L91 PolarHBondContact O-N 2.81Å; G89-I155 WeakPolarHBondContact CA-O 3.33Å
90	D	96.4	Very high	95.4	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.011	21%	0.208	C	C	.	.			trans	49.2	50.9	-178.2	-81.3	17	0	0	0	112.9	D50 I51 H52 F92 G157 N158 H159 D160 H247	D50-D90 CarbonylContact C-O 3.47Å; D50-D90 WeakPolarHBondContact CA-O 3.5Å; D50-D90 HydrophobicContact CB-CB 4.36Å; I51-D90 PolarHBondContact N-O 3.48Å; H52-D90 IonicContact CE1-OD2 2.69Å; H52-D90 PolarHBondContact CE1-OD2 2.76Å; H52-D90 PolarHBondContact N-O 2.86Å; H52-D90 IonicContact NE2-OD2 3.48Å; H52-D90 PolarHBondContact NE2-OD2 3.08Å; D90-F92 VanDerWaalsContact C-N 3.34Å; D90-G157 WeakPolarHBondContact OD1-CA 3.27Å; D90-N158 PolarHBondContact OD1-N 2.98Å; D90-H159 PolarHBondContact OD1-N 2.89Å; D90-H159 IonicContact OD2-CD2 3.69Å; D90-H159 PolarHBondContact OD2-CD2 2.96Å; D90-H159 IonicContact OD2-CG 3.87Å; D90-D160 PolarHBondContact N-OD1 3.21Å; D90-H247 IonicContact OD1-CE1 3.72Å; D90-H247 IonicContact OD1-NE2 3.72Å; D90-H247 IonicContact OD2-CE1 2.7Å; D90-H247 IonicContact OD2-NE2 3.67Å
91	L	97.2	Very high	95.4	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	19%	0.194	C	C	.	.	S	Bend	trans	-66.3	-40.7	170	177.1	58.3	0	0	0	110.3	I51 L53 L70 L87 G89 D160 L171 L174	I51-L91 HydrophobicContact CB-CD1 4.18Å; I51-L91 HydrophobicContact CD1-CD1 3.76Å; I51-L91 HydrophobicContact CG2-CD1 4.17Å; L53-L91 WeakPolarHBondContact CB-O 3.42Å; L53-L91 PolarHBondContact N-O 2.82Å; L70-L91 HydrophobicContact CD2-CD1 4.4Å; L87-L91 HydrophobicContact CD1-CD1 4.21Å; L87-L91 HydrophobicContact CD1-CD2 4.36Å; G89-L91 PolarHBondContact O-N 2.81Å; L91-D160 WeakPolarHBondContact CA-OD2 3.32Å; L91-D160 WeakPolarHBondContact CB-OD2 3.39Å; L91-D160 PolarHBondContact N-OD2 2.75Å; L91-L171 HydrophobicContact CB-CD2 4Å; L91-L171 HydrophobicContact CD2-CD2 3.67Å; L91-L171 HydrophobicContact CG-CD2 4.43Å; L91-L174 HydrophobicContact CD2-CD1 3.61Å
92	F	97.3	Very high	95.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-107	151.5	174.8	-60.9	-83.5	0	0	0	111.7	L53 D90 P97 L102 C105 H159 D160 A170 L174	L53-F92 HydrophobicContact CB-CD1 4.15Å; L53-F92 HydrophobicContact CD2-CD1 4.36Å; L53-F92 HydrophobicContact CD2-CE1 4.04Å; D90-F92 VanDerWaalsContact C-N 3.34Å; F92-P97 HydrophobicContact CB-CB 4.35Å; F92-P97 HydrophobicContact CD1-CB 3.57Å; F92-P97 HydrophobicContact CD1-CG 3.99Å; F92-P97 HydrophobicContact CE1-CB 4Å; F92-P97 HydrophobicContact CE1-CG 4.16Å; F92-P97 HydrophobicContact CG-CB 4.05Å; F92-P97 HydrophobicContact CG-CG 4.2Å; F92-L102 HydrophobicContact CE1-CD1 4.32Å; F92-L102 HydrophobicContact CZ-CD1 3.84Å; F92-C105 HydrophobicContact CE1-CB 4.05Å; F92-C105 HydrophobicContact CZ-CB 4.08Å; F92-H159 WeakPolarHBondContact O-CB 3.24Å; F92-D160 HydrophobicContact CB-CB 4.22Å; F92-D160 HydrophobicContact CD2-CB 4.42Å; F92-D160 PolarHBondContact N-OD2 3.33Å; F92-A170 HydrophobicContact CD2-CB 3.49Å; F92-A170 VanDerWaalsContact CD2-CB 3.49Å; F92-A170 HydrophobicContact CE2-CB 3.77Å; F92-A170 HydrophobicContact CG-CB 4.22Å; F92-L174 HydrophobicContact CE2-CD1 3.8Å; F92-L174 HydrophobicContact CE2-CG 4.39Å; F92-L174 HydrophobicContact CZ-CD1 3.94Å; F92-L174 HydrophobicContact CZ-CG 4.4Å
93	H	95.8	Very high	95.4	Very high	43 Å²	43	43.5 Å²	43.5	20%	0.199	20%	0.196	C	C	.	.	S	Bend	trans	-87	-17.7	175.4	-171.1	60.8	0	0	0	113.8	H52 L53 Y55 H159	H52-H93 HydrophobicContact CB-CB 4.09Å; H52-H93 AromaticContact CE1-ND1 3.88Å; H52-H93 AromaticContact CG-ND1 3.82Å; H52-H93 AromaticContact ND1-CG 3.86Å; H52-H93 AromaticContact ND1-ND1 2.99Å; H52-H93 PolarHBondContact ND1-ND1 2.69Å; L53-H93 PolarHBondContact O-N 3.25Å; Y55-H93 AromaticContact CD2-CD2 3.87Å; Y55-H93 AromaticContact CD2-CE1 3.67Å; Y55-H93 AromaticContact CD2-ND1 3.89Å; Y55-H93 AromaticContact CD2-NE2 3.61Å; H93-H159 AromaticContact CE1-CE1 3.45Å; H93-H159 PolarHBondContact CE1-CE1 2.95Å; H93-H159 VanDerWaalsContact CE1-CE1 3.45Å; H93-H159 AromaticContact CE1-ND1 3.64Å; H93-H159 AromaticContact ND1-CE1 3.77Å; H93-H159 AromaticContact ND1-ND1 3.56Å; H93-H159 PolarHBondContact O-ND1 3.02Å
94	E	92.2	Very high	95.4	Very high	98 Å²	98	44.2 Å²	44.2	46%	0.458	20%	0.202	S	C	.	.	S	Bend	trans	-129.8	130	178.3	-64.3	177.6	173.7	0	0	108.2	K96 P97 H159	E94-K96 PolarHBondContact O-N 3.48Å; E94-P97 WeakPolarHBondContact O-CD 3.42Å; E94-H159 CarbonylContact C-O 3.56Å
95	N	91.1	Very high	95.4	Very high	50 Å²	50	44.2 Å²	44.2	27%	0.267	20%	0.202	S	C	.	.	S	Bend	trans	-64.8	-24.2	-178	58.6	10	0	0	0	113.6	P97 H159 D161 T163	N95-P97 WeakPolarHBondContact O-CD 3.45Å; N95-H159 VanDerWaalsContact CA-O 3.27Å; N95-H159 WeakPolarHBondContact CA-O 3.45Å; N95-H159 WeakPolarHBondContact CB-O 3.43Å; N95-H159 PolarHBondContact N-O 3.29Å; N95-D161 VanDerWaalsContact CB-OD1 3.26Å; N95-D161 WeakPolarHBondContact CB-OD1 3.5Å; N95-D161 PolarHBondContact ND2-OD1 3.35Å; N95-T163 HydrophobicContact CB-CG2 4.37Å
96	K	91.4	Very high	95.3	Very high	116 Å²	116	46.7 Å²	46.7	50%	0.504	22%	0.215	S	C	.	.	S	Bend	trans	-105.4	71.4	167	-61.2	176.3	-172.8	179.1	0	109.3	E94 T163 D496	E94-K96 PolarHBondContact O-N 3.48Å; K96-T163 HydrophobicContact CG-CG2 4.49Å; K96-D496 IonicContact NZ-OD2 2.72Å; K96-D496 PolarHBondContact NZ-OD2 3.44Å
97	P	93.3	Very high	95.2	Very high	20 Å²	20	50 Å²	50	13%	0.13	24%	0.235	C	C	.	.			trans	-64.9	144.4	-169.3	27.4	-36.5	0	0	0	112.3	F92 E94 N95 C101 A170	F92-P97 HydrophobicContact CB-CB 4.35Å; F92-P97 HydrophobicContact CD1-CB 3.57Å; F92-P97 HydrophobicContact CD1-CG 3.99Å; F92-P97 HydrophobicContact CE1-CB 4Å; F92-P97 HydrophobicContact CE1-CG 4.16Å; F92-P97 HydrophobicContact CG-CB 4.05Å; F92-P97 HydrophobicContact CG-CG 4.2Å; E94-P97 WeakPolarHBondContact O-CD 3.42Å; N95-P97 WeakPolarHBondContact O-CD 3.45Å; P97-C101 HydrophobicContact CB-CB 4.5Å; P97-A170 HydrophobicContact CG-CB 3.94Å
98	S	94.8	Very high	95.2	Very high	35 Å²	35	50.5 Å²	50.5	25%	0.245	24%	0.237	C	C	.	.			trans	-56	150.7	-178.8	108	0	0	0	0	112.8	E57 R100 C101 L102	E57-S98 VanDerWaalsContact OE2-CB 3.22Å; E57-S98 WeakPolarHBondContact OE2-CB 3.3Å; E57-S98 PolarHBondContact OE2-OG 3.32Å; S98-R100 PolarHBondContact O-N 3.49Å; S98-R100 VanDerWaalsContact O-N 3.17Å; S98-R100 PolarHBondContact OG-N 2.95Å; S98-C101 WeakPolarHBondContact O-CA 3.23Å; S98-C101 WeakPolarHBondContact O-CB 3.36Å; S98-C101 PolarHBondContact O-N 3.47Å; S98-C101 PolarHBondContact OG-N 3.45Å; S98-L102 PolarHBondContact O-N 3.44Å
99	R	94.4	Very high	95.2	Very high	225 Å²	225	50.8 Å²	50.8	85%	0.849	24%	0.239	S	C	*	.	H	α-helix	trans	-54.8	-34.7	175.8	-71.6	-176.3	-73.8	175.5	-7.2	113	H103	R99-H103 WeakPolarHBondContact O-CB 3.45Å; R99-H103 PolarHBondContact O-N 3.25Å
100	R	93.6	Very high	95.3	Very high	130 Å²	130	58.8 Å²	58.8	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-73	-40.7	175.3	175.6	-176.8	158.3	-139.5	-13.9	110.7	E57 G63 S98 S104	E57-R100 VanDerWaalsContact CG-NH1 3.25Å; E57-R100 PolarHBondContact O-NH1 3.11Å; E57-R100 VanDerWaalsContact OE1-CB 3.28Å; E57-R100 WeakPolarHBondContact OE1-CB 3.46Å; E57-R100 WeakPolarHBondContact OE1-CD 3.46Å; E57-R100 WeakPolarHBondContact OE1-CG 3.33Å; E57-R100 IonicContact OE1-CZ 3.87Å; E57-R100 IonicContact OE1-NE 3.16Å; E57-R100 PolarHBondContact OE1-NE 2.82Å; E57-R100 IonicContact OE1-NH1 3.76Å; G63-R100 PolarHBondContact O-NH2 3.47Å; G63-R100 VanDerWaalsContact O-NH2 3.1Å; S98-R100 PolarHBondContact O-N 3.49Å; S98-R100 VanDerWaalsContact O-N 3.17Å; S98-R100 PolarHBondContact OG-N 2.95Å; R100-S104 VanDerWaalsContact O-CB 3.27Å; R100-S104 WeakPolarHBondContact O-CB 3.35Å; R100-S104 PolarHBondContact O-N 2.91Å; R100-S104 PolarHBondContact O-OG 3.43Å
101	C	95.1	Very high	95.3	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.007	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-54.1	177.9	-175.6	0	0	0	0	112	L53 E57 F67 P97 S98 S104 C105	L53-C101 PolarHBondContact O-SG 2.82Å; E57-C101 PolarHBondContact OE1-N 3.15Å; F67-C101 HydrophobicContact CE1-CB 4.26Å; F67-C101 HydrophobicContact CZ-CB 3.99Å; P97-C101 HydrophobicContact CB-CB 4.5Å; S98-C101 WeakPolarHBondContact O-CA 3.23Å; S98-C101 WeakPolarHBondContact O-CB 3.36Å; S98-C101 PolarHBondContact O-N 3.47Å; S98-C101 PolarHBondContact OG-N 3.45Å; C101-S104 PolarHBondContact O-N 2.82Å; C101-C105 PolarHBondContact O-N 3.36Å
102	L	95.8	Very high	95.3	Very high	35 Å²	35	64.3 Å²	64.3	18%	0.183	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-44.9	-179.8	-175	62.3	0	0	0	112.2	F92 S98 S104 C105 I106 L173 L174	F92-L102 HydrophobicContact CE1-CD1 4.32Å; F92-L102 HydrophobicContact CZ-CD1 3.84Å; S98-L102 PolarHBondContact O-N 3.44Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 2.88Å; L102-C105 WeakPolarHBondContact O-CB 3.38Å; L102-C105 PolarHBondContact O-N 2.88Å; L102-I106 HydrophobicContact CD1-CD1 4.15Å; L102-I106 HydrophobicContact CG-CD1 3.96Å; L102-I106 WeakPolarHBondContact O-CG1 3.34Å; L102-I106 PolarHBondContact O-N 3.39Å; L102-L173 HydrophobicContact CD2-CD1 4.11Å; L102-L174 HydrophobicContact CD1-CD2 3.96Å
103	H	96	Very high	95.2	Very high	126 Å²	126	64.4 Å²	64.4	58%	0.583	29%	0.293	S	S	*	.	H	α-helix	trans	-59.8	-42.4	175.3	177.8	-79.1	0	0	0	112.1	R99 T107	R99-H103 WeakPolarHBondContact O-CB 3.45Å; R99-H103 PolarHBondContact O-N 3.25Å; H103-T107 PolarHBondContact CE1-OG1 2.88Å; H103-T107 VanDerWaalsContact O-CB 3.3Å; H103-T107 WeakPolarHBondContact O-CB 3.26Å; H103-T107 PolarHBondContact O-N 3.47Å; H103-T107 PolarHBondContact O-OG1 2.94Å
104	S	95.9	Very high	95.1	Very high	31 Å²	31	64.2 Å²	64.2	22%	0.217	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-44.2	176.6	-59.9	0	0	0	0	111.5	R100 C101 L102 T107 M108	R100-S104 VanDerWaalsContact O-CB 3.27Å; R100-S104 WeakPolarHBondContact O-CB 3.35Å; R100-S104 PolarHBondContact O-N 2.91Å; R100-S104 PolarHBondContact O-OG 3.43Å; C101-S104 PolarHBondContact O-N 2.82Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 2.88Å; S104-T107 PolarHBondContact O-N 3.43Å; S104-M108 WeakPolarHBondContact O-CE 3.38Å; S104-M108 WeakPolarHBondContact O-CG 3.38Å; S104-M108 PolarHBondContact O-N 2.72Å
105	C	97.2	Very high	95.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.3	-54.9	176.1	-164.4	0	0	0	0	111.6	L53 F92 C101 L102 T107 M108 L109	L53-C105 HydrophobicContact CD2-CB 3.5Å; L53-C105 VanDerWaalsContact CD2-CB 3.5Å; F92-C105 HydrophobicContact CE1-CB 4.05Å; F92-C105 HydrophobicContact CZ-CB 4.08Å; C101-C105 PolarHBondContact O-N 3.36Å; L102-C105 WeakPolarHBondContact O-CB 3.38Å; L102-C105 PolarHBondContact O-N 2.88Å; C105-T107 VanDerWaalsContact C-N 3.28Å; C105-T107 PolarHBondContact O-N 3.28Å; C105-M108 PolarHBondContact O-N 3.47Å; C105-M108 VanDerWaalsContact O-N 3.16Å; C105-L109 WeakPolarHBondContact O-CB 3.5Å; C105-L109 WeakPolarHBondContact O-CG 3.31Å; C105-L109 PolarHBondContact O-N 2.91Å
106	I	96.9	Very high	95.1	Very high	55 Å²	55	65.3 Å²	65.3	28%	0.282	31%	0.307	S	S	.	.	H	α-helix	trans	-56.2	-42.7	177.6	-70.5	170.3	0	0	0	111	L102 R110 L174 L179	L102-I106 HydrophobicContact CD1-CD1 4.15Å; L102-I106 HydrophobicContact CG-CD1 3.96Å; L102-I106 WeakPolarHBondContact O-CG1 3.34Å; L102-I106 PolarHBondContact O-N 3.39Å; I106-R110 WeakPolarHBondContact O-CB 3.46Å; I106-R110 PolarHBondContact O-N 3.19Å; I106-L174 HydrophobicContact CD1-CD2 4.33Å; I106-L174 HydrophobicContact CG1-CD2 3.61Å; I106-L179 HydrophobicContact CB-CD1 4.17Å; I106-L179 HydrophobicContact CG1-CD1 4.26Å; I106-L179 HydrophobicContact CG2-CD1 3.83Å
107	T	96.6	Very high	95	Very high	69 Å²	69	63.7 Å²	63.7	42%	0.423	31%	0.31	S	S	.	.	H	α-helix	trans	-65	-42.3	179	-59.6	0	0	0	0	112.2	H103 S104 C105 K111	H103-T107 PolarHBondContact CE1-OG1 2.88Å; H103-T107 VanDerWaalsContact O-CB 3.3Å; H103-T107 WeakPolarHBondContact O-CB 3.26Å; H103-T107 PolarHBondContact O-N 3.47Å; H103-T107 PolarHBondContact O-OG1 2.94Å; S104-T107 PolarHBondContact O-N 3.43Å; C105-T107 VanDerWaalsContact C-N 3.28Å; C105-T107 PolarHBondContact O-N 3.28Å; T107-K111 WeakPolarHBondContact O-CB 3.45Å; T107-K111 PolarHBondContact O-N 3.16Å; T107-K111 VanDerWaalsContact O-N 3.07Å
108	M	97.1	Very high	94.9	Very high	19 Å²	19	67.8 Å²	67.8	9%	0.094	34%	0.337	C	S	.	.	H	α-helix	trans	-71.5	-47.2	179.8	-70.4	-177	-68.4	0	0	111.8	L53 F67 L70 N71 L74 S104 C105 R110 K111 Y112	L53-M108 HydrophobicContact CD1-CE 4.42Å; F67-M108 HydrophobicContact CD1-CE 4.11Å; L70-M108 HydrophobicContact CB-CE 4.24Å; L70-M108 HydrophobicContact CD2-CE 3.71Å; L70-M108 HydrophobicContact CG-CE 4.04Å; N71-M108 HydrophobicContact CB-SD 3.9Å; L74-M108 HydrophobicContact CD1-CB 3.8Å; S104-M108 WeakPolarHBondContact O-CE 3.38Å; S104-M108 WeakPolarHBondContact O-CG 3.38Å; S104-M108 PolarHBondContact O-N 2.72Å; C105-M108 PolarHBondContact O-N 3.47Å; C105-M108 VanDerWaalsContact O-N 3.16Å; M108-R110 VanDerWaalsContact C-N 3.3Å; M108-R110 PolarHBondContact O-N 3.16Å; M108-K111 WeakPolarHBondContact O-CB 3.45Å; M108-K111 PolarHBondContact O-N 2.88Å; M108-K111 VanDerWaalsContact O-N 3.11Å; M108-Y112 WeakPolarHBondContact O-CD2 3.31Å; M108-Y112 PolarHBondContact O-N 3.28Å
109	L	97	Very high	94.8	Very high	7 Å²	7	67.7 Å²	67.7	4%	0.037	33%	0.334	C	S	.	.	H	α-helix	trans	-55.3	-47.4	173.7	-71.2	169.5	0	0	0	110.5	L74 C105 K111 Y112 C113 V152 L174 L179 V180	L74-L109 HydrophobicContact CD1-CD2 4.24Å; L74-L109 HydrophobicContact CD2-CD2 4.04Å; C105-L109 WeakPolarHBondContact O-CB 3.5Å; C105-L109 WeakPolarHBondContact O-CG 3.31Å; C105-L109 PolarHBondContact O-N 2.91Å; L109-K111 VanDerWaalsContact C-N 3.32Å; L109-K111 PolarHBondContact O-N 3.48Å; L109-Y112 PolarHBondContact O-N 3.28Å; L109-C113 WeakPolarHBondContact O-CA 3.13Å; L109-C113 WeakPolarHBondContact O-CB 3.48Å; L109-C113 PolarHBondContact O-N 3.15Å; L109-V152 HydrophobicContact CD2-CG2 4.06Å; L109-L174 HydrophobicContact CD1-CD1 4.1Å; L109-L174 HydrophobicContact CD1-CD2 4.31Å; L109-L179 HydrophobicContact CB-CB 4.23Å; L109-L179 HydrophobicContact CB-CD1 4.11Å; L109-L179 HydrophobicContact CB-CD2 4.41Å; L109-L179 HydrophobicContact CB-CG 4.5Å; L109-L179 HydrophobicContact CD1-CB 4.13Å; L109-V180 HydrophobicContact CD1-CG2 3.95Å
110	R	96	Very high	94.7	Very high	170 Å²	170	60.7 Å²	60.7	64%	0.642	32%	0.317	S	S	*	.	H	α-helix	trans	-61.3	-35.1	177.1	-168.7	171.5	-166	176	6.7	113.9	I106 M108 M114 L179	I106-R110 WeakPolarHBondContact O-CB 3.46Å; I106-R110 PolarHBondContact O-N 3.19Å; M108-R110 VanDerWaalsContact C-N 3.3Å; M108-R110 PolarHBondContact O-N 3.16Å; R110-M114 HydrophobicContact CG-CG 4.39Å; R110-M114 HydrophobicContact CG-SD 3.79Å; R110-L179 HydrophobicContact CB-CD2 4.48Å
111	K	96.1	Very high	94.7	Very high	113 Å²	113	54.5 Å²	54.5	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-71	-37.9	178.9	174.7	-171.8	169.3	-159.1	0	112.8	N71 K78 T107 M108 L109	N71-K111 PolarHBondContact OD1-NZ 3.3Å; K78-K111 PolarHBondContact NZ-O 3.24Å; T107-K111 WeakPolarHBondContact O-CB 3.45Å; T107-K111 PolarHBondContact O-N 3.16Å; T107-K111 VanDerWaalsContact O-N 3.07Å; M108-K111 WeakPolarHBondContact O-CB 3.45Å; M108-K111 PolarHBondContact O-N 2.88Å; M108-K111 VanDerWaalsContact O-N 3.11Å; L109-K111 VanDerWaalsContact C-N 3.32Å; L109-K111 PolarHBondContact O-N 3.48Å
112	Y	96.9	Very high	94.5	Very high	8 Å²	8	59.4 Å²	59.4	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-101.2	-42.1	-173.1	-70.2	-77.9	0	0	0	113.7	N71 L74 E75 K78 M108 L109	N71-Y112 PolarHBondContact ND2-OH 3.1Å; N71-Y112 WeakPolarHBondContact OD1-CE2 3.2Å; N71-Y112 PolarHBondContact OD1-OH 3.22Å; N71-Y112 VanDerWaalsContact OD1-OH 3.14Å; L74-Y112 HydrophobicContact CB-CD1 4.48Å; L74-Y112 HydrophobicContact CB-CD2 3.63Å; L74-Y112 HydrophobicContact CB-CE2 4.33Å; L74-Y112 HydrophobicContact CB-CG 3.72Å; L74-Y112 HydrophobicContact CD1-CD2 4.33Å; E75-Y112 HydrophobicContact CB-CD1 4.42Å; E75-Y112 HydrophobicContact CB-CE1 3.65Å; E75-Y112 VanDerWaalsContact CD-OH 3.28Å; E75-Y112 HydrophobicContact CG-CE1 3.91Å; E75-Y112 WeakPolarHBondContact OE1-CE1 3.39Å; E75-Y112 PolarHBondContact OE1-OH 3Å; K78-Y112 HydrophobicContact CB-CD1 4.18Å; K78-Y112 HydrophobicContact CD-CD1 3.82Å; K78-Y112 PolarHBondContact NZ-O 2.73Å; M108-Y112 WeakPolarHBondContact O-CD2 3.31Å; M108-Y112 PolarHBondContact O-N 3.28Å; L109-Y112 PolarHBondContact O-N 3.28Å
113	C	95.9	Very high	94.3	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-87.1	-18.6	-171.8	-60.2	0	0	0	0	115.1	L109 S149 I150	L109-C113 WeakPolarHBondContact O-CA 3.13Å; L109-C113 WeakPolarHBondContact O-CB 3.48Å; L109-C113 PolarHBondContact O-N 3.15Å; C113-S149 PolarHBondContact O-N 2.98Å; C113-S149 PolarHBondContact O-OG 3.45Å; C113-S149 VanDerWaalsContact O-OG 3.07Å; C113-I150 VanDerWaalsContact CB-O 3.31Å; C113-I150 WeakPolarHBondContact CB-O 3.47Å; C113-I150 PolarHBondContact O-N 2.85Å
114	M	94.8	Very high	93.9	Very high	39 Å²	39	57 Å²	57	19%	0.192	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-92.4	147.8	171.1	-56.4	-164.4	84.7	0	0	111.8	K78 R110 L146 N147 I148 S149 L179	K78-M114 PolarHBondContact NZ-O 3Å; R110-M114 HydrophobicContact CG-CG 4.39Å; R110-M114 HydrophobicContact CG-SD 3.79Å; M114-L146 HydrophobicContact CE-CB 4.26Å; M114-L146 HydrophobicContact CE-CD2 4.12Å; M114-N147 WeakPolarHBondContact CA-O 3.35Å; M114-N147 WeakPolarHBondContact CB-O 3.25Å; M114-I148 HydrophobicContact CE-CD1 3.97Å; M114-I148 HydrophobicContact CG-CD1 4.02Å; M114-S149 VanDerWaalsContact C-OG 3.31Å; M114-L179 HydrophobicContact CG-CD2 4.5Å
115	G	92.6	Very high	93.4	Very high	23 Å²	23	56.5 Å²	56.5	24%	0.237	31%	0.307	C	S	.	.	S	Bend	trans	162.8	173.8	179.1	0	0	0	0	0	113.6	S117 N147 S149	G115-S117 VanDerWaalsContact C-N 3.27Å; G115-S117 PolarHBondContact O-N 2.8Å; G115-N147 PolarHBondContact N-O 3.12Å; G115-N147 VanDerWaalsContact O-CG 3.31Å; G115-N147 PolarHBondContact O-ND2 3.49Å; G115-N147 PolarHBondContact O-OD1 3.02Å; G115-S149 PolarHBondContact N-OG 3.34Å
116	D	90.6	Very high	92.6	Very high	148 Å²	148	60.9 Å²	60.9	79%	0.791	33%	0.33	S	S	*	.	S	Bend	trans	-84.1	7.7	-172.9	-49.5	-53.7	0	0	0	114.7	N147	D116-N147 PolarHBondContact OD1-ND2 2.9Å
117	S	89.5	Confident	91.9	Very high	81 Å²	81	59.8 Å²	59.8	57%	0.566	32%	0.324	S	S	*	.	S	Bend	trans	-86.6	118.3	176.6	-56.4	0	0	0	0	109.7	G115 S149	G115-S117 VanDerWaalsContact C-N 3.27Å; G115-S117 PolarHBondContact O-N 2.8Å; S117-S149 VanDerWaalsContact O-CA 3.29Å; S117-S149 WeakPolarHBondContact O-CA 3.49Å; S117-S149 VanDerWaalsContact O-CB 3.22Å; S117-S149 WeakPolarHBondContact O-CB 3.44Å
118	P	90.9	Very high	91.1	Very high	107 Å²	107	60 Å²	60	70%	0.695	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-72.4	144.2	-176.1	29.9	-35.4	0	0	0	111.9	T120	P118-T120 PolarHBondContact O-N 3.2Å
119	V	92.6	Very high	90.2	Very high	32 Å²	32	63.8 Å²	63.8	19%	0.194	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-66.6	130.8	172.5	-178.8	0	0	0	0	109.9	F121 Y141 I148 P151	V119-F121 HydrophobicContact CG1-CD1 3.51Å; V119-F121 HydrophobicContact CG1-CD2 4.41Å; V119-F121 HydrophobicContact CG1-CE1 3.32Å; V119-F121 HydrophobicContact CG1-CE2 4.25Å; V119-F121 HydrophobicContact CG1-CG 4.07Å; V119-F121 HydrophobicContact CG1-CZ 3.72Å; V119-Y141 HydrophobicContact CB-CD2 3.62Å; V119-Y141 HydrophobicContact CB-CE2 3.9Å; V119-Y141 HydrophobicContact CB-CG 4.22Å; V119-Y141 HydrophobicContact CG1-CD2 3.73Å; V119-Y141 HydrophobicContact CG1-CE1 4.48Å; V119-Y141 HydrophobicContact CG1-CE2 3.55Å; V119-Y141 HydrophobicContact CG1-CG 4.25Å; V119-Y141 HydrophobicContact CG2-CD2 3.77Å; V119-Y141 HydrophobicContact CG2-CE2 4.46Å; V119-Y141 HydrophobicContact CG2-CG 3.87Å; V119-I148 WeakPolarHBondContact CG2-O 3.48Å; V119-P151 HydrophobicContact CG1-CG 4.23Å; V119-P151 HydrophobicContact CG2-CG 3.82Å
120	T	91.2	Very high	89.3	Confident	78 Å²	78	64.2 Å²	64.2	48%	0.479	35%	0.347	S	S	.	.			trans	-91.3	-3.7	-169.6	67.9	0	0	0	0	114.5	D83 P118 K201	D83-T120 PolarHBondContact OD1-OG1 3.41Å; P118-T120 PolarHBondContact O-N 3.2Å; T120-K201 WeakPolarHBondContact OG1-CD 3.4Å; T120-K201 WeakPolarHBondContact OG1-CE 3.44Å
121	F	93.3	Very high	88.5	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	32%	0.318	C	S	.	.			trans	-124.4	147	-173.3	67.9	-93.9	0	0	0	112.9	F43 D83 F84 V119 Y141 P151 F153 L199 Q200 K201	F43-F121 HydrophobicContact CE1-CB 3.67Å; F43-F121 HydrophobicContact CE1-CD1 4.15Å; F43-F121 HydrophobicContact CE1-CD2 4.26Å; F43-F121 AromaticContact CE1-CG 3.77Å; F43-F121 HydrophobicContact CE1-CG 3.77Å; F43-F121 HydrophobicContact CZ-CB 4.05Å; D83-F121 HydrophobicContact CB-CD1 3.96Å; D83-F121 HydrophobicContact CB-CE1 4Å; D83-F121 WeakPolarHBondContact O-CE1 3.32Å; F84-F121 HydrophobicContact CB-CE1 4.19Å; F84-F121 HydrophobicContact CB-CZ 4.1Å; F84-F121 HydrophobicContact CD1-CD1 4.48Å; F84-F121 AromaticContact CD1-CE1 3.77Å; F84-F121 HydrophobicContact CD1-CE1 3.77Å; F84-F121 HydrophobicContact CD1-CE2 4.49Å; F84-F121 AromaticContact CD1-CZ 3.78Å; F84-F121 HydrophobicContact CD1-CZ 3.78Å; F84-F121 HydrophobicContact CG-CE1 4.45Å; F84-F121 HydrophobicContact CG-CZ 4.29Å; V119-F121 HydrophobicContact CG1-CD1 3.51Å; V119-F121 HydrophobicContact CG1-CD2 4.41Å; V119-F121 HydrophobicContact CG1-CE1 3.32Å; V119-F121 HydrophobicContact CG1-CE2 4.25Å; V119-F121 HydrophobicContact CG1-CG 4.07Å; V119-F121 HydrophobicContact CG1-CZ 3.72Å; F121-Y141 VanDerWaalsContact CD2-OH 3.31Å; F121-Y141 WeakPolarHBondContact CD2-OH 3.42Å; F121-Y141 AromaticContact CE2-CE1 3.89Å; F121-Y141 HydrophobicContact CE2-CE1 3.89Å; F121-Y141 AromaticContact CE2-CZ 3.7Å; F121-Y141 WeakPolarHBondContact CE2-OH 3.37Å; F121-Y141 HydrophobicContact CZ-CE1 4.15Å; F121-Y141 PolarHBondContact O-OH 3.37Å; F121-P151 HydrophobicContact CZ-CG 4.08Å; F121-F153 HydrophobicContact CE2-CE2 4.43Å; F121-F153 HydrophobicContact CE2-CZ 4.49Å; F121-F153 HydrophobicContact CZ-CE2 4.19Å; F121-L199 HydrophobicContact CD2-CD2 3.85Å; F121-L199 HydrophobicContact CE2-CD2 3.75Å; F121-Q200 WeakPolarHBondContact CA-O 3.22Å; F121-Q200 WeakPolarHBondContact CB-O 3.29Å; F121-K201 HydrophobicContact CB-CB 3.86Å; F121-K201 HydrophobicContact CB-CG 4.33Å
122	N	91.1	Very high	87.3	Confident	104 Å²	104	54.8 Å²	54.8	56%	0.556	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	151.7	-179.6	-65.2	-52.5	0	0	0	111.2	L199 Q200	N122-L199 WeakPolarHBondContact O-CA 3.47Å; N122-Q200 PolarHBondContact N-O 2.94Å; N122-Q200 PolarHBondContact O-N 3.47Å
123	I	91.3	Very high	86	Confident	17 Å²	17	56 Å²	56	9%	0.087	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.4	165.9	-78.2	167.5	0	0	0	109.7	Q127 V139 Y141 I197 L198 L199	I123-Q127 HydrophobicContact CG2-CG 3.78Å; I123-V139 HydrophobicContact CD1-CB 4.11Å; I123-V139 HydrophobicContact CD1-CG1 3.26Å; I123-V139 HydrophobicContact CD1-CG2 3.82Å; I123-Y141 HydrophobicContact CD1-CE1 4.34Å; I123-I197 HydrophobicContact CD1-CG2 4.18Å; I123-I197 HydrophobicContact CG1-CG2 4.23Å; I123-L198 CarbonylContact C-O 3.58Å; I123-L198 WeakPolarHBondContact CA-O 3.43Å; I123-L199 HydrophobicContact CD1-CD2 4.09Å; I123-L199 HydrophobicContact CG1-CD2 3.44Å; I123-L199 VanDerWaalsContact CG1-CD2 3.44Å
124	L	88.4	Confident	84.9	Confident	94 Å²	94	57.1 Å²	57.1	49%	0.492	33%	0.33	S	S	.	.			trans	-113.8	-9	176.3	-54.2	-175	0	0	0	113.1	L198 Q200 W240	L124-L198 HydrophobicContact CB-CB 4.22Å; L124-L198 PolarHBondContact N-O 3.45Å; L124-Q200 HydrophobicContact CD1-CB 4.15Å; L124-Q200 HydrophobicContact CG-CB 4.5Å; L124-W240 HydrophobicContact CD1-CH2 4.23Å
125	S	84.8	Confident	84.1	Confident	20 Å²	20	64 Å²	64	14%	0.14	36%	0.361	C	S	.	.	S	Bend	trans	-80.6	159	175	52.2	0	0	0	0	111.8	Q127 N130 L198	S125-Q127 PolarHBondContact O-N 3.42Å; S125-Q127 VanDerWaalsContact O-N 3.14Å; S125-N130 PolarHBondContact OG-OD1 3.48Å; S125-L198 PolarHBondContact OG-N 3.32Å; S125-L198 VanDerWaalsContact OG-N 3.11Å
126	D	80.9	Confident	83.6	Confident	92 Å²	92	67.6 Å²	67.6	49%	0.492	37%	0.371	S	S	.	.			trans	-69.1	108.2	168.3	-171.7	-22.3	0	0	0	109.2	T128 I129	D126-T128 PolarHBondContact O-N 2.98Å; D126-T128 WeakPolarHBondContact OD1-CB 3.4Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.45Å; D126-T128 PolarHBondContact OD1-N 3.48Å; D126-T128 PolarHBondContact OD1-OG1 3.31Å; D126-I129 HydrophobicContact CB-CD1 3.91Å; D126-I129 HydrophobicContact CB-CG1 4.07Å; D126-I129 PolarHBondContact O-N 3.1Å
127	Q	83.3	Confident	83	Confident	31 Å²	31	62.6 Å²	62.6	15%	0.145	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-26.1	-176.2	-64.9	-179.9	52.9	0	0	112	I123 S125 I129 N130 F131 P137	I123-Q127 HydrophobicContact CG2-CG 3.78Å; S125-Q127 PolarHBondContact O-N 3.42Å; S125-Q127 VanDerWaalsContact O-N 3.14Å; Q127-I129 PolarHBondContact O-N 3.09Å; Q127-N130 PolarHBondContact O-N 2.94Å; Q127-F131 HydrophobicContact CB-CD2 3.98Å; Q127-F131 HydrophobicContact CB-CE2 4.39Å; Q127-F131 HydrophobicContact CG-CE2 4.45Å; Q127-F131 VanDerWaalsContact O-CD2 3.3Å; Q127-F131 WeakPolarHBondContact O-CD2 3.45Å; Q127-F131 PolarHBondContact O-N 2.96Å; Q127-P137 CarbonylContact C-O 3.59Å; Q127-P137 WeakPolarHBondContact CB-O 3.26Å
128	T	79	Confident	82.7	Confident	74 Å²	74	63.9 Å²	63.9	45%	0.454	34%	0.339	S	S	.	.	H	α-helix	trans	-67.5	-22.9	179.1	72.1	0	0	0	0	113.2	D126 N132 P137	D126-T128 PolarHBondContact O-N 2.98Å; D126-T128 WeakPolarHBondContact OD1-CB 3.4Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.45Å; D126-T128 PolarHBondContact OD1-N 3.48Å; D126-T128 PolarHBondContact OD1-OG1 3.31Å; T128-N132 WeakPolarHBondContact O-CB 3.34Å; T128-P137 HydrophobicContact CG2-CB 4.11Å; T128-P137 HydrophobicContact CG2-CG 4.44Å
129	I	78.3	Confident	82.5	Confident	99 Å²	99	58.8 Å²	58.8	51%	0.508	31%	0.306	S	S	.	.	H	α-helix	trans	-81.4	-35.1	177.1	-56.5	179.6	0	0	0	110.9	D126 Q127	D126-I129 HydrophobicContact CB-CD1 3.91Å; D126-I129 HydrophobicContact CB-CG1 4.07Å; D126-I129 PolarHBondContact O-N 3.1Å; Q127-I129 PolarHBondContact O-N 3.09Å
130	N	77	Confident	82.3	Confident	16 Å²	16	57.7 Å²	57.7	9%	0.086	30%	0.299	C	S	.	.	H	α-helix	trans	-90.4	-26.5	-175.8	-67.2	126.3	0	0	0	114	S125 Q127 S195 I197	S125-N130 PolarHBondContact OG-OD1 3.48Å; Q127-N130 PolarHBondContact O-N 2.94Å; N130-S195 PolarHBondContact ND2-O 3.21Å; N130-S195 VanDerWaalsContact ND2-O 3.08Å; N130-I197 HydrophobicContact CB-CD1 4.44Å; N130-I197 HydrophobicContact CB-CG1 3.84Å; N130-I197 VanDerWaalsContact CG-CG1 3.47Å
131	F	79.6	Confident	82.2	Confident	6 Å²	6	55.7 Å²	55.7	3%	0.026	28%	0.283	C	S	.	.			trans	-123	48.3	-172.6	-52.1	-63	0	0	0	111.9	Q127 V139 F153 N181 H182 F183 I197	Q127-F131 HydrophobicContact CB-CD2 3.98Å; Q127-F131 HydrophobicContact CB-CE2 4.39Å; Q127-F131 HydrophobicContact CG-CE2 4.45Å; Q127-F131 VanDerWaalsContact O-CD2 3.3Å; Q127-F131 WeakPolarHBondContact O-CD2 3.45Å; Q127-F131 PolarHBondContact O-N 2.96Å; F131-V139 HydrophobicContact CD2-CG1 4.03Å; F131-V139 HydrophobicContact CE1-CG1 4.44Å; F131-V139 HydrophobicContact CE2-CG1 3.33Å; F131-V139 HydrophobicContact CZ-CG1 3.59Å; F131-F153 HydrophobicContact CZ-CE1 4.14Å; F131-N181 HydrophobicContact CD1-CB 4.37Å; F131-N181 HydrophobicContact CE1-CB 3.76Å; F131-N181 HydrophobicContact CZ-CB 4.35Å; F131-H182 VanDerWaalsContact CD1-O 3.28Å; F131-H182 WeakPolarHBondContact CD1-O 3.31Å; F131-F183 HydrophobicContact CE1-CB 4.22Å; F131-I197 HydrophobicContact CE1-CD1 4.12Å; F131-I197 HydrophobicContact CZ-CD1 3.68Å; F131-I197 HydrophobicContact CZ-CG1 4.16Å
132	N	70.9	Confident	82	Confident	79 Å²	79	59.7 Å²	59.7	42%	0.422	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.1	-173.1	71.4	-28.9	0	0	0	114.9	T128 T134 H187	T128-N132 WeakPolarHBondContact O-CB 3.34Å; N132-T134 VanDerWaalsContact C-N 3.33Å; N132-T134 PolarHBondContact O-N 2.78Å; N132-H187 PolarHBondContact ND2-CE1 3.28Å; N132-H187 PolarHBondContact ND2-NE2 2.81Å; N132-H187 PolarHBondContact OD1-CE1 3.03Å; N132-H187 PolarHBondContact OD1-NE2 2.84Å
133	T	70.3	Confident	81.8	Confident	32 Å²	32	55.9 Å²	55.9	20%	0.196	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.5	-178.2	63.4	0	0	0	0	114.2	D172	T133-D172 WeakPolarHBondContact CB-OD1 3.46Å; T133-D172 PolarHBondContact OG1-OD1 3.25Å
134	T	73.6	Confident	81.6	Confident	26 Å²	26	64.5 Å²	64.5	16%	0.16	32%	0.321	C	S	.	.	S	Bend	trans	-132.3	165.8	179	84.9	0	0	0	0	112.4	N132 F136 A176	N132-T134 VanDerWaalsContact C-N 3.33Å; N132-T134 PolarHBondContact O-N 2.78Å; T134-F136 PolarHBondContact O-N 2.88Å; T134-F136 PolarHBondContact OG1-N 3Å; T134-F136 VanDerWaalsContact OG1-N 3.13Å; T134-F136 PolarHBondContact OG1-O 2.94Å; T134-A176 HydrophobicContact CG2-CB 4.49Å
135	Q	77.5	Confident	81.7	Confident	184 Å²	184	66.7 Å²	66.7	86%	0.86	33%	0.333	S	S	*	.	S	Bend	trans	-73.7	1.1	174.1	-61.4	-175.1	12.2	0	0	113.8	P137	Q135-P137 VanDerWaalsContact C-CD 3.48Å; Q135-P137 VanDerWaalsContact O-CD 3.24Å; Q135-P137 WeakPolarHBondContact O-CD 3.36Å
136	F	81.1	Confident	82	Confident	99 Å²	99	68.3 Å²	68.3	43%	0.434	34%	0.34	S	S	.	.			trans	-112.6	81.9	174.6	-53.5	-64.5	0	0	0	109.1	T134 W138	T134-F136 PolarHBondContact O-N 2.88Å; T134-F136 PolarHBondContact OG1-N 3Å; T134-F136 VanDerWaalsContact OG1-N 3.13Å; T134-F136 PolarHBondContact OG1-O 2.94Å; F136-W138 HydrophobicContact CB-CZ2 4.3Å; F136-W138 AromaticContact CD1-CH2 3.93Å; F136-W138 HydrophobicContact CD1-CH2 3.93Å; F136-W138 AromaticContact CD1-CZ2 3.66Å; F136-W138 HydrophobicContact CD1-CZ2 3.66Å; F136-W138 HydrophobicContact CG-CZ2 4.43Å; F136-W138 PolarHBondContact O-N 3.35Å
137	P	78.1	Confident	82.6	Confident	43 Å²	43	68 Å²	68	28%	0.279	34%	0.338	S	S	.	.			trans	-80	38.6	-174.5	36	-40.1	0	0	0	112.9	Q127 T128 Q135	Q127-P137 CarbonylContact C-O 3.59Å; Q127-P137 WeakPolarHBondContact CB-O 3.26Å; T128-P137 HydrophobicContact CG2-CB 4.11Å; T128-P137 HydrophobicContact CG2-CG 4.44Å; Q135-P137 VanDerWaalsContact C-CD 3.48Å; Q135-P137 VanDerWaalsContact O-CD 3.24Å; Q135-P137 WeakPolarHBondContact O-CD 3.36Å
138	W	82.8	Confident	83.2	Confident	108 Å²	108	66.8 Å²	66.8	41%	0.409	33%	0.333	S	S	.	.	S	Bend	trans	-137.8	155.9	177.7	58	79.7	0	0	0	110.3	F136 D143	F136-W138 HydrophobicContact CB-CZ2 4.3Å; F136-W138 AromaticContact CD1-CH2 3.93Å; F136-W138 HydrophobicContact CD1-CH2 3.93Å; F136-W138 AromaticContact CD1-CZ2 3.66Å; F136-W138 HydrophobicContact CD1-CZ2 3.66Å; F136-W138 HydrophobicContact CG-CZ2 4.43Å; F136-W138 PolarHBondContact O-N 3.35Å; W138-D143 PolarHBondContact NE1-OD2 2.96Å
139	V	86.9	Confident	83.9	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.316	C	S	.	.			trans	-68.2	145.7	178.8	-70.5	0	0	0	0	112.5	I123 F131 Y141 Q142 F153 N181	I123-V139 HydrophobicContact CD1-CB 4.11Å; I123-V139 HydrophobicContact CD1-CG1 3.26Å; I123-V139 HydrophobicContact CD1-CG2 3.82Å; F131-V139 HydrophobicContact CD2-CG1 4.03Å; F131-V139 HydrophobicContact CE1-CG1 4.44Å; F131-V139 HydrophobicContact CE2-CG1 3.33Å; F131-V139 HydrophobicContact CZ-CG1 3.59Å; V139-Y141 HydrophobicContact CB-CD1 3.92Å; V139-Y141 HydrophobicContact CB-CE1 3.9Å; V139-Y141 HydrophobicContact CG1-CE1 4.46Å; V139-Y141 HydrophobicContact CG2-CD1 3.63Å; V139-Y141 HydrophobicContact CG2-CE1 3.42Å; V139-Y141 VanDerWaalsContact CG2-CE1 3.42Å; V139-Y141 HydrophobicContact CG2-CG 4.28Å; V139-Y141 PolarHBondContact O-N 2.7Å; V139-Q142 HydrophobicContact CG2-CB 4.1Å; V139-Q142 HydrophobicContact CG2-CG 3.76Å; V139-Q142 PolarHBondContact O-N 3.44Å; V139-F153 HydrophobicContact CG1-CE1 4.43Å; V139-N181 VanDerWaalsContact CA-OD1 3.32Å; V139-N181 WeakPolarHBondContact CA-OD1 3.33Å; V139-N181 WeakPolarHBondContact CB-OD1 3.38Å
140	N	89.8	Confident	84.8	Confident	8 Å²	8	59.8 Å²	59.8	4%	0.043	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-59.1	-24.7	-172.4	71	-24.9	0	0	0	115.1	I148 G178 N181	N140-I148 HydrophobicContact CB-CG1 4.25Å; N140-I148 WeakPolarHBondContact O-CG1 3.45Å; N140-G178 VanDerWaalsContact CB-O 3.27Å; N140-G178 WeakPolarHBondContact CB-O 3.47Å; N140-G178 PolarHBondContact ND2-O 3.38Å; N140-N181 PolarHBondContact N-OD1 2.92Å; N140-N181 PolarHBondContact OD1-ND2 3.29Å; N140-N181 PolarHBondContact OD1-OD1 3.41Å
141	Y	88.4	Confident	85.7	Confident	36 Å²	36	59 Å²	59	14%	0.141	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-88.2	-0.7	178.7	75.7	-91.5	0	0	0	114.7	V119 F121 I123 V139 P151	V119-Y141 HydrophobicContact CB-CD2 3.62Å; V119-Y141 HydrophobicContact CB-CE2 3.9Å; V119-Y141 HydrophobicContact CB-CG 4.22Å; V119-Y141 HydrophobicContact CG1-CD2 3.73Å; V119-Y141 HydrophobicContact CG1-CE1 4.48Å; V119-Y141 HydrophobicContact CG1-CE2 3.55Å; V119-Y141 HydrophobicContact CG1-CG 4.25Å; V119-Y141 HydrophobicContact CG2-CD2 3.77Å; V119-Y141 HydrophobicContact CG2-CE2 4.46Å; V119-Y141 HydrophobicContact CG2-CG 3.87Å; F121-Y141 VanDerWaalsContact CD2-OH 3.31Å; F121-Y141 WeakPolarHBondContact CD2-OH 3.42Å; F121-Y141 AromaticContact CE2-CE1 3.89Å; F121-Y141 HydrophobicContact CE2-CE1 3.89Å; F121-Y141 AromaticContact CE2-CZ 3.7Å; F121-Y141 WeakPolarHBondContact CE2-OH 3.37Å; F121-Y141 HydrophobicContact CZ-CE1 4.15Å; F121-Y141 PolarHBondContact O-OH 3.37Å; I123-Y141 HydrophobicContact CD1-CE1 4.34Å; V139-Y141 HydrophobicContact CB-CD1 3.92Å; V139-Y141 HydrophobicContact CB-CE1 3.9Å; V139-Y141 HydrophobicContact CG1-CE1 4.46Å; V139-Y141 HydrophobicContact CG2-CD1 3.63Å; V139-Y141 HydrophobicContact CG2-CE1 3.42Å; V139-Y141 VanDerWaalsContact CG2-CE1 3.42Å; V139-Y141 HydrophobicContact CG2-CG 4.28Å; V139-Y141 PolarHBondContact O-N 2.7Å; Y141-P151 HydrophobicContact CD1-CB 4.04Å; Y141-P151 HydrophobicContact CD1-CG 3.46Å; Y141-P151 VanDerWaalsContact CD1-CG 3.46Å; Y141-P151 HydrophobicContact CE1-CG 4.04Å; Y141-P151 HydrophobicContact CG-CG 3.88Å
142	Q	88.7	Confident	86.6	Confident	85 Å²	85	58.9 Å²	58.9	40%	0.397	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-102.4	1.2	168.8	-69.3	-175.6	-1.2	0	0	112.5	V139	V139-Q142 HydrophobicContact CG2-CB 4.1Å; V139-Q142 HydrophobicContact CG2-CG 3.76Å; V139-Q142 PolarHBondContact O-N 3.44Å
143	D	87.8	Confident	87.8	Confident	25 Å²	25	55.1 Å²	55.1	13%	0.134	27%	0.27	C	S	.	.			trans	-75.9	123.6	177.1	-163.8	-72.2	0	0	0	111.7	W138 N145 L146	W138-D143 PolarHBondContact NE1-OD2 2.96Å; D143-N145 PolarHBondContact O-N 3.23Å; D143-N145 WeakPolarHBondContact OD1-CA 3.23Å; D143-N145 VanDerWaalsContact OD1-CB 3.24Å; D143-N145 WeakPolarHBondContact OD1-CB 3.38Å; D143-N145 PolarHBondContact OD1-N 3.12Å; D143-N145 PolarHBondContact OD1-ND2 3.42Å; D143-L146 HydrophobicContact CB-CB 4.33Å; D143-L146 PolarHBondContact O-N 3.35Å
144	E	87.2	Confident	89.1	Confident	197 Å²	197	53.6 Å²	53.6	92%	0.921	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-16.7	-178.4	-60.1	-170.5	157.6	0	0	113.9
145	N	90.6	Very high	90.2	Very high	140 Å²	140	52.3 Å²	52.3	75%	0.749	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-12.1	-175.9	-48.6	-89.6	0	0	0	113.5	D143	D143-N145 PolarHBondContact O-N 3.23Å; D143-N145 WeakPolarHBondContact OD1-CA 3.23Å; D143-N145 VanDerWaalsContact OD1-CB 3.24Å; D143-N145 WeakPolarHBondContact OD1-CB 3.38Å; D143-N145 PolarHBondContact OD1-N 3.12Å; D143-N145 PolarHBondContact OD1-ND2 3.42Å
146	L	90.3	Very high	91	Very high	55 Å²	55	43.8 Å²	43.8	29%	0.288	21%	0.213	S	C	.	.			trans	-128.5	110.2	-168.8	-62.4	178.5	0	0	0	113	M114 D143 I148	M114-L146 HydrophobicContact CE-CB 4.26Å; M114-L146 HydrophobicContact CE-CD2 4.12Å; D143-L146 HydrophobicContact CB-CB 4.33Å; D143-L146 PolarHBondContact O-N 3.35Å; L146-I148 HydrophobicContact CB-CD1 4.3Å; L146-I148 HydrophobicContact CB-CG1 4.31Å; L146-I148 PolarHBondContact O-N 2.64Å
147	N	93.7	Very high	91.7	Very high	84 Å²	84	39.1 Å²	39.1	45%	0.449	19%	0.192	S	C	.	.			trans	-81.2	85.3	176.4	-157.1	15.5	0	0	0	111.7	M114 G115 D116	M114-N147 WeakPolarHBondContact CA-O 3.35Å; M114-N147 WeakPolarHBondContact CB-O 3.25Å; G115-N147 PolarHBondContact N-O 3.12Å; G115-N147 VanDerWaalsContact O-CG 3.31Å; G115-N147 PolarHBondContact O-ND2 3.49Å; G115-N147 PolarHBondContact O-OD1 3.02Å; D116-N147 PolarHBondContact OD1-ND2 2.9Å
148	I	95.1	Very high	92.4	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.036	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-89.4	122.8	177	-53.2	-57.6	0	0	0	109.9	M114 V119 N140 L146 P151 G178	M114-I148 HydrophobicContact CE-CD1 3.97Å; M114-I148 HydrophobicContact CG-CD1 4.02Å; V119-I148 WeakPolarHBondContact CG2-O 3.48Å; N140-I148 HydrophobicContact CB-CG1 4.25Å; N140-I148 WeakPolarHBondContact O-CG1 3.45Å; L146-I148 HydrophobicContact CB-CD1 4.3Å; L146-I148 HydrophobicContact CB-CG1 4.31Å; L146-I148 PolarHBondContact O-N 2.64Å; I148-P151 HydrophobicContact CG2-CG 4.22Å; I148-G178 WeakPolarHBondContact CD1-O 3.43Å
149	S	94.4	Very high	92.8	Very high	15 Å²	15	37.8 Å²	37.8	11%	0.105	19%	0.189	C	C	.	.	S	Bend	trans	-100.5	-24.2	176.8	57.2	0	0	0	0	114.4	C113 M114 G115 S117	C113-S149 PolarHBondContact O-N 2.98Å; C113-S149 PolarHBondContact O-OG 3.45Å; C113-S149 VanDerWaalsContact O-OG 3.07Å; M114-S149 VanDerWaalsContact C-OG 3.31Å; G115-S149 PolarHBondContact N-OG 3.34Å; S117-S149 VanDerWaalsContact O-CA 3.29Å; S117-S149 WeakPolarHBondContact O-CA 3.49Å; S117-S149 VanDerWaalsContact O-CB 3.22Å; S117-S149 WeakPolarHBondContact O-CB 3.44Å
150	I	96.8	Very high	92.9	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.056	19%	0.189	C	C	.	.	S	Bend	trans	-136.9	97.2	176.3	-51.1	176.5	0	0	0	108	A77 K78 V82 I85 C113	A77-I150 HydrophobicContact CB-CD1 4.48Å; K78-I150 HydrophobicContact CB-CD1 4.32Å; V82-I150 HydrophobicContact CG2-CG2 3.92Å; I85-I150 HydrophobicContact CD1-CG2 4.37Å; I85-I150 HydrophobicContact CG1-CG2 3.93Å; C113-I150 VanDerWaalsContact CB-O 3.31Å; C113-I150 WeakPolarHBondContact CB-O 3.47Å; C113-I150 PolarHBondContact O-N 2.85Å
151	P	96.6	Very high	92.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.			trans	-59.2	147.3	172.4	-24.7	36.1	0	0	0	111.6	D83 F84 I85 V119 F121 Y141 I148 F153	D83-P151 WeakPolarHBondContact O-CD 3.26Å; F84-P151 VanDerWaalsContact CA-O 3.31Å; F84-P151 WeakPolarHBondContact CA-O 3.34Å; F84-P151 HydrophobicContact CB-CB 4.27Å; F84-P151 VanDerWaalsContact CB-O 3.32Å; F84-P151 WeakPolarHBondContact CB-O 3.37Å; I85-P151 PolarHBondContact N-O 3.1Å; V119-P151 HydrophobicContact CG1-CG 4.23Å; V119-P151 HydrophobicContact CG2-CG 3.82Å; F121-P151 HydrophobicContact CZ-CG 4.08Å; Y141-P151 HydrophobicContact CD1-CB 4.04Å; Y141-P151 HydrophobicContact CD1-CG 3.46Å; Y141-P151 VanDerWaalsContact CD1-CG 3.46Å; Y141-P151 HydrophobicContact CE1-CG 4.04Å; Y141-P151 HydrophobicContact CG-CG 3.88Å; I148-P151 HydrophobicContact CG2-CG 4.22Å; P151-F153 HydrophobicContact CB-CE2 3.92Å
152	V	97.6	Very high	92.7	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.3	170.1	-175.3	0	0	0	0	107.4	I85 L87 L109 V180 N181	I85-V152 HydrophobicContact CB-CG1 4.3Å; I85-V152 HydrophobicContact CB-CG2 4.24Å; I85-V152 HydrophobicContact CD1-CG2 4.24Å; I85-V152 CarbonylContact O-C 3.52Å; I85-V152 WeakPolarHBondContact O-CA 3.45Å; L87-V152 HydrophobicContact CD1-CG1 3.72Å; L87-V152 HydrophobicContact CG-CG1 4.03Å; L109-V152 HydrophobicContact CD2-CG2 4.06Å; V152-V180 HydrophobicContact CB-CG2 4.25Å; V152-V180 HydrophobicContact CG1-CG1 4.33Å; V152-V180 HydrophobicContact CG1-CG2 4.25Å; V152-N181 WeakPolarHBondContact O-CB 3.2Å; V152-N181 PolarHBondContact O-N 2.95Å; V152-N181 PolarHBondContact O-ND2 2.72Å
153	F	97	Very high	92.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.1	171.7	-68	-91.2	0	0	0	108.1	F84 I85 L86 L87 F121 F131 V139 P151 N181 F183 I197 L208	F84-F153 HydrophobicContact CB-CD2 4.12Å; F84-F153 HydrophobicContact CB-CE2 4.1Å; F84-F153 AromaticContact CD2-CD2 3.58Å; F84-F153 HydrophobicContact CD2-CD2 3.58Å; F84-F153 HydrophobicContact CD2-CE2 4.1Å; F84-F153 HydrophobicContact CE2-CD2 4.11Å; F84-F153 AromaticContact CG-CD2 3.99Å; F84-F153 HydrophobicContact CG-CD2 3.99Å; F84-F153 HydrophobicContact CG-CE2 4.06Å; I85-F153 PolarHBondContact O-N 3.18Å; L86-F153 WeakPolarHBondContact CA-O 3.45Å; L86-F153 HydrophobicContact CD1-CB 4.36Å; L87-F153 PolarHBondContact N-O 3.47Å; F121-F153 HydrophobicContact CE2-CE2 4.43Å; F121-F153 HydrophobicContact CE2-CZ 4.49Å; F121-F153 HydrophobicContact CZ-CE2 4.19Å; F131-F153 HydrophobicContact CZ-CE1 4.14Å; V139-F153 HydrophobicContact CG1-CE1 4.43Å; P151-F153 HydrophobicContact CB-CE2 3.92Å; F153-N181 WeakPolarHBondContact CA-O 3.33Å; F153-N181 HydrophobicContact CD1-CB 3.74Å; F153-N181 HydrophobicContact CE1-CB 3.88Å; F153-N181 HydrophobicContact CG-CB 4.4Å; F153-F183 HydrophobicContact CB-CD1 4.12Å; F153-F183 HydrophobicContact CB-CE1 3.8Å; F153-I197 HydrophobicContact CD1-CD1 4.05Å; F153-I197 HydrophobicContact CE1-CD1 4.18Å; F153-L208 HydrophobicContact CB-CD2 4.31Å; F153-L208 HydrophobicContact CD1-CD2 4.38Å; F153-L208 HydrophobicContact CG-CD2 4.28Å
154	S	96.9	Very high	91.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.4	179	-162.1	0	0	0	0	111.2	L87 N181 H182 F183	L87-S154 WeakPolarHBondContact CB-OG 3.3Å; S154-N181 PolarHBondContact N-O 2.83Å; S154-N181 VanDerWaalsContact N-O 3.12Å; S154-H182 WeakPolarHBondContact O-CA 3.28Å; S154-H182 PolarHBondContact O-CD2 2.9Å; S154-F183 VanDerWaalsContact C-CE1 3.49Å; S154-F183 VanDerWaalsContact O-CD1 3.24Å; S154-F183 WeakPolarHBondContact O-CD1 3.46Å; S154-F183 PolarHBondContact O-N 3.18Å
155	I	96.2	Very high	90.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.225	C	C	.	.			trans	-82.5	161.8	153.9	62.6	175	0	0	0	109	L87 G88 G89 L171 F183 L211 A245 H247	L87-I155 PolarHBondContact O-N 3.13Å; G88-I155 VanDerWaalsContact C-CG1 3.5Å; G89-I155 WeakPolarHBondContact CA-O 3.33Å; I155-L171 VanDerWaalsContact O-CD1 3.25Å; I155-L171 WeakPolarHBondContact O-CD1 3.15Å; I155-F183 HydrophobicContact CG2-CD1 4.35Å; I155-F183 HydrophobicContact CG2-CD2 4.47Å; I155-F183 HydrophobicContact CG2-CE1 3.92Å; I155-F183 HydrophobicContact CG2-CE2 4.09Å; I155-F183 HydrophobicContact CG2-CZ 3.78Å; I155-L211 WeakPolarHBondContact CD1-O 3.16Å; I155-A245 HydrophobicContact CD1-CB 4.2Å; I155-A245 HydrophobicContact CG2-CB 4.4Å; I155-H247 HydrophobicContact CD1-CB 3.93Å
156	H	95.1	Very high	90	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.023	23%	0.227	C	C	.	.			trans	-84.2	145.9	165.8	69.9	83	0	0	0	111.1	L171 H182 H185 G212 S213	H156-L171 HydrophobicContact CB-CD1 3.98Å; H156-H182 AromaticContact CD2-NE2 3.51Å; H156-H185 AromaticContact CD2-ND1 3.74Å; H156-H185 AromaticContact NE2-ND1 3.2Å; H156-H185 PolarHBondContact NE2-ND1 3.27Å; H156-H185 VanDerWaalsContact NE2-ND1 3.2Å; H156-G212 CarbonylContact O-C 3.48Å; H156-G212 VanDerWaalsContact O-CA 3.25Å; H156-G212 WeakPolarHBondContact O-CA 3.26Å; H156-S213 PolarHBondContact CE1-N 3.32Å; H156-S213 PolarHBondContact CE1-O 3.13Å; H156-S213 VanDerWaalsContact CE1-O 3.32Å; H156-S213 PolarHBondContact ND1-N 2.63Å; H156-S213 PolarHBondContact O-N 2.78Å
157	G	95	Very high	89.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.23	C	C	.	.			trans	-93.9	-148.2	170.1	0	0	0	0	0	111.6	D90 D160 S213 H247	D90-G157 WeakPolarHBondContact OD1-CA 3.27Å; G157-D160 WeakPolarHBondContact CA-OD1 3.21Å; G157-D160 PolarHBondContact N-OD1 2.8Å; G157-S213 WeakPolarHBondContact O-CB 3.37Å; G157-H247 VanDerWaalsContact CA-CD2 3.48Å; G157-H247 WeakPolarHBondContact CA-CD2 3.41Å
158	N	93.3	Very high	89.1	Confident	60 Å²	60	35.6 Å²	35.6	32%	0.321	23%	0.225	S	C	.	.	S	Bend	trans	-107.5	-6.9	178.1	71.5	-95.4	0	0	0	114.1	D90 H247 H275	D90-N158 PolarHBondContact OD1-N 2.98Å; N158-H247 PolarHBondContact OD1-NE2 3.47Å; N158-H275 PolarHBondContact OD1-CE1 3.06Å; N158-H275 PolarHBondContact OD1-ND1 3.24Å
159	H	90.8	Very high	88.9	Confident	64 Å²	64	35.4 Å²	35.4	30%	0.296	22%	0.224	S	C	.	.	S	Bend	trans	-96.4	-26	169	-83.2	-99.4	0	0	0	112.6	H52 D90 F92 H93 E94 N95	H52-H159 AromaticContact CE1-CD2 3.65Å; H52-H159 AromaticContact CE1-CG 3.85Å; D90-H159 PolarHBondContact OD1-N 2.89Å; D90-H159 IonicContact OD2-CD2 3.69Å; D90-H159 PolarHBondContact OD2-CD2 2.96Å; D90-H159 IonicContact OD2-CG 3.87Å; F92-H159 WeakPolarHBondContact O-CB 3.24Å; H93-H159 AromaticContact CE1-CE1 3.45Å; H93-H159 PolarHBondContact CE1-CE1 2.95Å; H93-H159 VanDerWaalsContact CE1-CE1 3.45Å; H93-H159 AromaticContact CE1-ND1 3.64Å; H93-H159 AromaticContact ND1-CE1 3.77Å; H93-H159 AromaticContact ND1-ND1 3.56Å; H93-H159 PolarHBondContact O-ND1 3.02Å; E94-H159 CarbonylContact C-O 3.56Å; N95-H159 VanDerWaalsContact CA-O 3.27Å; N95-H159 WeakPolarHBondContact CA-O 3.45Å; N95-H159 WeakPolarHBondContact CB-O 3.43Å; N95-H159 PolarHBondContact N-O 3.29Å
160	D	89.7	Confident	88.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-107.4	43.5	170.5	55.5	9.8	0	0	0	112.5	D90 L91 F92 G157 C169 A170	D90-D160 PolarHBondContact N-OD1 3.21Å; L91-D160 WeakPolarHBondContact CA-OD2 3.32Å; L91-D160 WeakPolarHBondContact CB-OD2 3.39Å; L91-D160 PolarHBondContact N-OD2 2.75Å; F92-D160 HydrophobicContact CB-CB 4.22Å; F92-D160 HydrophobicContact CD2-CB 4.42Å; F92-D160 PolarHBondContact N-OD2 3.33Å; G157-D160 WeakPolarHBondContact CA-OD1 3.21Å; G157-D160 PolarHBondContact N-OD1 2.8Å; D160-C169 WeakPolarHBondContact O-CB 3.5Å; D160-A170 HydrophobicContact CB-CB 4.35Å
161	D	88.1	Confident	88.5	Confident	58 Å²	58	34.2 Å²	34.2	31%	0.31	22%	0.217	S	C	.	.			trans	-70.5	155.9	-177.6	74.4	-45.6	0	0	0	113.9	N95 T163	N95-D161 VanDerWaalsContact CB-OD1 3.26Å; N95-D161 WeakPolarHBondContact CB-OD1 3.5Å; N95-D161 PolarHBondContact ND2-OD1 3.35Å; D161-T163 PolarHBondContact O-N 2.95Å
162	P	86.6	Confident	88.3	Confident	37 Å²	37	34.6 Å²	34.6	24%	0.24	22%	0.219	C	C	.	.			trans	-70.6	125.4	177.9	-13.3	28.5	0	0	0	111.6	G167 C169	P162-G167 VanDerWaalsContact CB-O 3.31Å; P162-G167 WeakPolarHBondContact CB-O 3.4Å; P162-C169 HydrophobicContact CB-CB 4.25Å; P162-C169 HydrophobicContact CG-CB 4.24Å
163	T	79.9	Confident	88	Confident	46 Å²	46	38.9 Å²	38.9	28%	0.282	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-142.2	169.2	-168.7	-163.4	0	0	0	0	113.4	N95 K96 D161 L168	N95-T163 HydrophobicContact CB-CG2 4.37Å; K96-T163 HydrophobicContact CG-CG2 4.49Å; D161-T163 PolarHBondContact O-N 2.95Å; T163-L168 PolarHBondContact N-O 2.82Å; T163-L168 PolarHBondContact O-N 3.02Å; T163-L168 VanDerWaalsContact O-N 3.14Å
164	G	73.4	Confident	87.8	Confident	57 Å²	57	38.9 Å²	38.9	59%	0.588	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	-179.1	-178.3	0	0	0	0	0	114.7	E166 G167	G164-E166 VanDerWaalsContact C-N 3.29Å; G164-E166 PolarHBondContact O-N 2.87Å; G164-G167 PolarHBondContact O-N 2.93Å; G164-G167 VanDerWaalsContact O-N 3.08Å
165	A	69.3	Low	87.6	Confident	118 Å²	118	39.7 Å²	39.7	98%	0.975	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.1	-170.2	0	0	0	0	0	114.9
166	E	74.3	Confident	87.4	Confident	167 Å²	167	42.3 Å²	42.3	78%	0.78	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-2.7	175.8	-63.1	-173	160.4	0	0	112.8	G164 L168	G164-E166 VanDerWaalsContact C-N 3.29Å; G164-E166 PolarHBondContact O-N 2.87Å; E166-L168 HydrophobicContact CB-CD1 4.15Å; E166-L168 HydrophobicContact CB-CG 4.01Å
167	G	80.7	Confident	87.2	Confident	34 Å²	34	44.2 Å²	44.2	35%	0.351	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	36.5	178.9	0	0	0	0	0	114.3	P162 G164	P162-G167 VanDerWaalsContact CB-O 3.31Å; P162-G167 WeakPolarHBondContact CB-O 3.4Å; G164-G167 PolarHBondContact O-N 2.93Å; G164-G167 VanDerWaalsContact O-N 3.08Å
168	L	85.2	Confident	87	Confident	66 Å²	66	44.7 Å²	44.7	35%	0.346	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-94.1	144.8	-176.8	-62.7	175.7	0	0	0	111.4	T163 E166 D172	T163-L168 PolarHBondContact N-O 2.82Å; T163-L168 PolarHBondContact O-N 3.02Å; T163-L168 VanDerWaalsContact O-N 3.14Å; E166-L168 HydrophobicContact CB-CD1 4.15Å; E166-L168 HydrophobicContact CB-CG 4.01Å; L168-D172 HydrophobicContact CD2-CB 4.35Å
169	C	89.2	Confident	87	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.02	27%	0.274	C	S	.	.			trans	-103.3	169	173.9	74.5	0	0	0	0	112.3	D160 P162 L171 D172 H182	D160-C169 WeakPolarHBondContact O-CB 3.5Å; P162-C169 HydrophobicContact CB-CB 4.25Å; P162-C169 HydrophobicContact CG-CB 4.24Å; C169-L171 PolarHBondContact O-N 3.48Å; C169-L171 PolarHBondContact SG-N 2.82Å; C169-L171 VanDerWaalsContact SG-N 3.45Å; C169-D172 PolarHBondContact N-OD2 3.33Å; C169-D172 PolarHBondContact O-N 3.49Å; C169-D172 VanDerWaalsContact O-N 3.1Å; C169-D172 PolarHBondContact SG-OD2 3.07Å; C169-H182 PolarHBondContact SG-CE1 2.86Å
170	A	91.4	Very high	87.2	Confident	2 Å²	2	39.2 Å²	39.2	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-23.5	176.5	0	0	0	0	0	113.5	F92 P97 D160	F92-A170 HydrophobicContact CD2-CB 3.49Å; F92-A170 VanDerWaalsContact CD2-CB 3.49Å; F92-A170 HydrophobicContact CE2-CB 3.77Å; F92-A170 HydrophobicContact CG-CB 4.22Å; P97-A170 HydrophobicContact CG-CB 3.94Å; D160-A170 HydrophobicContact CB-CB 4.35Å
171	L	92.7	Very high	87.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-74.4	-29.3	175.8	-54.3	177.2	0	0	0	112.6	L91 I155 H156 C169 L173 L174 S175 H182	L91-L171 HydrophobicContact CB-CD2 4Å; L91-L171 HydrophobicContact CD2-CD2 3.67Å; L91-L171 HydrophobicContact CG-CD2 4.43Å; I155-L171 VanDerWaalsContact O-CD1 3.25Å; I155-L171 WeakPolarHBondContact O-CD1 3.15Å; H156-L171 HydrophobicContact CB-CD1 3.98Å; C169-L171 PolarHBondContact O-N 3.48Å; C169-L171 PolarHBondContact SG-N 2.82Å; C169-L171 VanDerWaalsContact SG-N 3.45Å; L171-L173 VanDerWaalsContact C-N 3.28Å; L171-L173 PolarHBondContact O-N 3.1Å; L171-L174 HydrophobicContact CD2-CD1 4.41Å; L171-L174 CarbonylContact O-C 3.58Å; L171-L174 WeakPolarHBondContact O-CA 3.47Å; L171-L174 WeakPolarHBondContact O-CB 3.36Å; L171-L174 PolarHBondContact O-N 3Å; L171-S175 PolarHBondContact O-N 3.06Å; L171-H182 HydrophobicContact CB-CB 4.2Å
172	D	91.6	Very high	87.7	Confident	8 Å²	8	36.8 Å²	36.8	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-32	178.3	-62.4	-50	0	0	0	111.5	T133 L168 C169 L174 S175 A176 H182	T133-D172 WeakPolarHBondContact CB-OD1 3.46Å; T133-D172 PolarHBondContact OG1-OD1 3.25Å; L168-D172 HydrophobicContact CD2-CB 4.35Å; C169-D172 PolarHBondContact N-OD2 3.33Å; C169-D172 PolarHBondContact O-N 3.49Å; C169-D172 VanDerWaalsContact O-N 3.1Å; C169-D172 PolarHBondContact SG-OD2 3.07Å; D172-L174 VanDerWaalsContact C-N 3.34Å; D172-S175 PolarHBondContact O-N 3.28Å; D172-A176 WeakPolarHBondContact O-CB 3.44Å; D172-A176 PolarHBondContact O-N 2.92Å; D172-H182 IonicContact OD1-CE1 3.69Å; D172-H182 IonicContact OD1-CG 3.36Å; D172-H182 IonicContact OD1-ND1 3.94Å; D172-H182 PolarHBondContact OD1-ND1 2.61Å; D172-H182 IonicContact OD2-ND1 3.79Å
173	L	91.7	Very high	88	Confident	91 Å²	91	35.2 Å²	35.2	48%	0.476	24%	0.237	S	C	.	.	H	α-helix	trans	-64.7	-37.7	170.6	-60.8	178.3	0	0	0	112	L102 L171 S177	L102-L173 HydrophobicContact CD2-CD1 4.11Å; L171-L173 VanDerWaalsContact C-N 3.28Å; L171-L173 PolarHBondContact O-N 3.1Å; L173-S177 PolarHBondContact O-N 3.22Å
174	L	93.4	Very high	88.4	Confident	0 Å²	0	34 Å²	34	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-71.7	-34.7	174	-61.7	-178.3	0	0	0	111.6	L91 F92 L102 I106 L109 L171 D172 S177 G178 L179 V180	L91-L174 HydrophobicContact CD2-CD1 3.61Å; F92-L174 HydrophobicContact CE2-CD1 3.8Å; F92-L174 HydrophobicContact CE2-CG 4.39Å; F92-L174 HydrophobicContact CZ-CD1 3.94Å; F92-L174 HydrophobicContact CZ-CG 4.4Å; L102-L174 HydrophobicContact CD1-CD2 3.96Å; I106-L174 HydrophobicContact CD1-CD2 4.33Å; I106-L174 HydrophobicContact CG1-CD2 3.61Å; L109-L174 HydrophobicContact CD1-CD1 4.1Å; L109-L174 HydrophobicContact CD1-CD2 4.31Å; L171-L174 HydrophobicContact CD2-CD1 4.41Å; L171-L174 CarbonylContact O-C 3.58Å; L171-L174 WeakPolarHBondContact O-CA 3.47Å; L171-L174 WeakPolarHBondContact O-CB 3.36Å; L171-L174 PolarHBondContact O-N 3Å; D172-L174 VanDerWaalsContact C-N 3.34Å; L174-S177 PolarHBondContact O-N 3.43Å; L174-S177 PolarHBondContact O-OG 2.84Å; L174-G178 PolarHBondContact O-N 3.42Å; L174-L179 PolarHBondContact O-N 2.87Å; L174-V180 HydrophobicContact CB-CB 3.96Å; L174-V180 HydrophobicContact CB-CG2 3.81Å; L174-V180 HydrophobicContact CD1-CG2 3.85Å; L174-V180 HydrophobicContact CG-CG2 4.48Å
175	S	92.5	Very high	89	Confident	17 Å²	17	33.6 Å²	33.6	12%	0.119	22%	0.216	C	C	.	.	H	α-helix	trans	-68.9	-45.5	176.6	-158.9	0	0	0	0	112.1	L171 D172 S177 G178 V180	L171-S175 PolarHBondContact O-N 3.06Å; D172-S175 PolarHBondContact O-N 3.28Å; S175-S177 PolarHBondContact O-N 2.87Å; S175-G178 WeakPolarHBondContact O-CA 3.45Å; S175-G178 PolarHBondContact O-N 3.43Å; S175-V180 VanDerWaalsContact CA-O 3.22Å; S175-V180 WeakPolarHBondContact CA-O 3.45Å; S175-V180 WeakPolarHBondContact CB-O 3.38Å; S175-V180 PolarHBondContact OG-O 3.36Å
176	A	90.6	Very high	89.5	Confident	56 Å²	56	29.4 Å²	29.4	46%	0.463	18%	0.179	S	C	.	.	H	α-helix	trans	-64.2	-20.4	172.7	0	0	0	0	0	113.2	T134 D172	T134-A176 HydrophobicContact CG2-CB 4.49Å; D172-A176 WeakPolarHBondContact O-CB 3.44Å; D172-A176 PolarHBondContact O-N 2.92Å
177	S	91.1	Very high	89.6	Confident	45 Å²	45	26.7 Å²	26.7	32%	0.315	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.1	170.4	80.5	0	0	0	0	114.3	L173 L174 S175	L173-S177 PolarHBondContact O-N 3.22Å; L174-S177 PolarHBondContact O-N 3.43Å; L174-S177 PolarHBondContact O-OG 2.84Å; S175-S177 PolarHBondContact O-N 2.87Å
178	G	91.4	Very high	89.5	Confident	9 Å²	9	27.9 Å²	27.9	9%	0.093	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	23.9	-178.6	0	0	0	0	0	114.8	N140 I148 L174 S175	N140-G178 VanDerWaalsContact CB-O 3.27Å; N140-G178 WeakPolarHBondContact CB-O 3.47Å; N140-G178 PolarHBondContact ND2-O 3.38Å; I148-G178 WeakPolarHBondContact CD1-O 3.43Å; L174-G178 PolarHBondContact O-N 3.42Å; S175-G178 WeakPolarHBondContact O-CA 3.45Å; S175-G178 PolarHBondContact O-N 3.43Å
179	L	93.9	Very high	89.1	Confident	9 Å²	9	30 Å²	30	5%	0.047	19%	0.185	C	C	.	.	S	Bend	trans	-105.3	-22.1	-176.5	-66.5	177.3	0	0	0	114.3	I106 L109 R110 M114 L174	I106-L179 HydrophobicContact CB-CD1 4.17Å; I106-L179 HydrophobicContact CG1-CD1 4.26Å; I106-L179 HydrophobicContact CG2-CD1 3.83Å; L109-L179 HydrophobicContact CB-CB 4.23Å; L109-L179 HydrophobicContact CB-CD1 4.11Å; L109-L179 HydrophobicContact CB-CD2 4.41Å; L109-L179 HydrophobicContact CB-CG 4.5Å; L109-L179 HydrophobicContact CD1-CB 4.13Å; R110-L179 HydrophobicContact CB-CD2 4.48Å; M114-L179 HydrophobicContact CG-CD2 4.5Å; L174-L179 PolarHBondContact O-N 2.87Å
180	V	95.1	Very high	88.7	Confident	1 Å²	1	37 Å²	37	1%	0.006	22%	0.218	C	C	.	.			trans	-137	146.3	178.8	178.2	0	0	0	0	108.7	L109 V152 L174 S175	L109-V180 HydrophobicContact CD1-CG2 3.95Å; V152-V180 HydrophobicContact CB-CG2 4.25Å; V152-V180 HydrophobicContact CG1-CG1 4.33Å; V152-V180 HydrophobicContact CG1-CG2 4.25Å; L174-V180 HydrophobicContact CB-CB 3.96Å; L174-V180 HydrophobicContact CB-CG2 3.81Å; L174-V180 HydrophobicContact CD1-CG2 3.85Å; L174-V180 HydrophobicContact CG-CG2 4.48Å; S175-V180 VanDerWaalsContact CA-O 3.22Å; S175-V180 WeakPolarHBondContact CA-O 3.45Å; S175-V180 WeakPolarHBondContact CB-O 3.38Å; S175-V180 PolarHBondContact OG-O 3.36Å
181	N	94.4	Very high	88.6	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	99.7	169.2	-53.6	-86.6	0	0	0	106.9	F131 V139 N140 V152 F153 S154	F131-N181 HydrophobicContact CD1-CB 4.37Å; F131-N181 HydrophobicContact CE1-CB 3.76Å; F131-N181 HydrophobicContact CZ-CB 4.35Å; V139-N181 VanDerWaalsContact CA-OD1 3.32Å; V139-N181 WeakPolarHBondContact CA-OD1 3.33Å; V139-N181 WeakPolarHBondContact CB-OD1 3.38Å; N140-N181 PolarHBondContact N-OD1 2.92Å; N140-N181 PolarHBondContact OD1-ND2 3.29Å; N140-N181 PolarHBondContact OD1-OD1 3.41Å; V152-N181 WeakPolarHBondContact O-CB 3.2Å; V152-N181 PolarHBondContact O-N 2.95Å; V152-N181 PolarHBondContact O-ND2 2.72Å; F153-N181 WeakPolarHBondContact CA-O 3.33Å; F153-N181 HydrophobicContact CD1-CB 3.74Å; F153-N181 HydrophobicContact CE1-CB 3.88Å; F153-N181 HydrophobicContact CG-CB 4.4Å; S154-N181 PolarHBondContact N-O 2.83Å; S154-N181 VanDerWaalsContact N-O 3.12Å
182	H	93.8	Very high	88.5	Confident	3 Å²	3	41.6 Å²	41.6	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.6	176.1	179.5	-152.1	0	0	0	109.4	F131 S154 H156 C169 L171 D172	F131-H182 VanDerWaalsContact CD1-O 3.28Å; F131-H182 WeakPolarHBondContact CD1-O 3.31Å; S154-H182 WeakPolarHBondContact O-CA 3.28Å; S154-H182 PolarHBondContact O-CD2 2.9Å; H156-H182 AromaticContact CD2-NE2 3.51Å; C169-H182 PolarHBondContact SG-CE1 2.86Å; L171-H182 HydrophobicContact CB-CB 4.2Å; D172-H182 IonicContact OD1-CE1 3.69Å; D172-H182 IonicContact OD1-CG 3.36Å; D172-H182 IonicContact OD1-ND1 3.94Å; D172-H182 PolarHBondContact OD1-ND1 2.61Å; D172-H182 IonicContact OD2-ND1 3.79Å
183	F	92.6	Very high	88.4	Confident	4 Å²	4	47 Å²	47	2%	0.018	27%	0.265	C	S	.	.			trans	-146.4	168.1	-179.7	78	-71.4	0	0	0	112.2	L86 F131 F153 S154 I155 H185 I197 L208	L86-F183 HydrophobicContact CD1-CE1 4.05Å; L86-F183 HydrophobicContact CD1-CZ 3.85Å; F131-F183 HydrophobicContact CE1-CB 4.22Å; F153-F183 HydrophobicContact CB-CD1 4.12Å; F153-F183 HydrophobicContact CB-CE1 3.8Å; S154-F183 VanDerWaalsContact C-CE1 3.49Å; S154-F183 VanDerWaalsContact O-CD1 3.24Å; S154-F183 WeakPolarHBondContact O-CD1 3.46Å; S154-F183 PolarHBondContact O-N 3.18Å; I155-F183 HydrophobicContact CG2-CD1 4.35Å; I155-F183 HydrophobicContact CG2-CD2 4.47Å; I155-F183 HydrophobicContact CG2-CE1 3.92Å; I155-F183 HydrophobicContact CG2-CE2 4.09Å; I155-F183 HydrophobicContact CG2-CZ 3.78Å; F183-H185 VanDerWaalsContact C-N 3.34Å; F183-H185 PolarHBondContact O-N 2.57Å; F183-I197 HydrophobicContact CB-CD1 3.7Å; F183-I197 HydrophobicContact CD1-CD1 4.45Å; F183-I197 HydrophobicContact CD2-CD1 3.67Å; F183-I197 HydrophobicContact CE2-CD1 4.42Å; F183-I197 HydrophobicContact CG-CD1 3.69Å; F183-L208 HydrophobicContact CE1-CD2 4.45Å; F183-L208 HydrophobicContact CE2-CD1 4.12Å; F183-L208 HydrophobicContact CE2-CD2 4.06Å; F183-L208 HydrophobicContact CE2-CG 3.74Å; F183-L208 HydrophobicContact CZ-CD1 4.02Å; F183-L208 HydrophobicContact CZ-CD2 3.9Å; F183-L208 HydrophobicContact CZ-CG 3.93Å
184	G	87.5	Confident	88.5	Confident	20 Å²	20	43 Å²	43	21%	0.206	24%	0.244	C	C	.	.			trans	78.4	11.8	176.3	0	0	0	0	0	115.4	S186 G210 G212	G184-S186 PolarHBondContact O-N 2.91Å; G184-G210 VanDerWaalsContact CA-O 3.26Å; G184-G210 WeakPolarHBondContact CA-O 3.33Å; G184-G212 PolarHBondContact O-N 3.35Å
185	H	86.6	Confident	88.4	Confident	49 Å²	49	44.9 Å²	44.9	23%	0.227	26%	0.257	C	S	.	.			trans	-76.6	114.2	178.7	-178.6	51.7	0	0	0	112.1	H156 F183 H187	H156-H185 AromaticContact CD2-ND1 3.74Å; H156-H185 AromaticContact NE2-ND1 3.2Å; H156-H185 PolarHBondContact NE2-ND1 3.27Å; H156-H185 VanDerWaalsContact NE2-ND1 3.2Å; F183-H185 VanDerWaalsContact C-N 3.34Å; F183-H185 PolarHBondContact O-N 2.57Å; H185-H187 AromaticContact CD2-CE1 3.31Å; H185-H187 PolarHBondContact CD2-CE1 3.42Å; H185-H187 AromaticContact CD2-ND1 3.67Å; H185-H187 AromaticContact CD2-NE2 3.83Å; H185-H187 PolarHBondContact O-N 2.72Å; H185-H187 PolarHBondContact O-ND1 2.83Å
186	S	80.3	Confident	88.5	Confident	30 Å²	30	44.7 Å²	44.7	21%	0.21	26%	0.255	C	S	.	.			trans	-86.7	107.3	-175.4	63.4	0	0	0	0	112.5	G184 I214	G184-S186 PolarHBondContact O-N 2.91Å; S186-I214 WeakPolarHBondContact OG-CD1 3.4Å
187	H	75.6	Confident	88.6	Confident	110 Å²	110	42 Å²	42	51%	0.509	23%	0.233	S	C	.	.			trans	-81.1	-27.4	-176.5	-65.9	61.8	0	0	0	114	N132 H185	N132-H187 PolarHBondContact ND2-CE1 3.28Å; N132-H187 PolarHBondContact ND2-NE2 2.81Å; N132-H187 PolarHBondContact OD1-CE1 3.03Å; N132-H187 PolarHBondContact OD1-NE2 2.84Å; H185-H187 AromaticContact CD2-CE1 3.31Å; H185-H187 PolarHBondContact CD2-CE1 3.42Å; H185-H187 AromaticContact CD2-ND1 3.67Å; H185-H187 AromaticContact CD2-NE2 3.83Å; H185-H187 PolarHBondContact O-N 2.72Å; H185-H187 PolarHBondContact O-ND1 2.83Å
188	S	78.7	Confident	88.8	Confident	60 Å²	60	41.1 Å²	41.1	42%	0.42	23%	0.225	S	C	.	.			trans	-84	135.3	-174.9	163.9	0	0	0	0	111.7	M191 R218	S188-M191 WeakPolarHBondContact CB-O 3.42Å; S188-M191 PolarHBondContact OG-N 3.5Å; S188-M191 PolarHBondContact OG-O 2.88Å; S188-R218 PolarHBondContact O-NH2 2.78Å
189	V	76.4	Confident	89	Confident	110 Å²	110	40.7 Å²	40.7	67%	0.667	22%	0.22	S	C	*	.	S	Bend	trans	-80.2	-38.2	-178.2	-177.6	0	0	0	0	111.7	R218	V189-R218 PolarHBondContact O-NH2 3.24Å
190	E	81.8	Confident	89	Confident	151 Å²	151	43.1 Å²	43.1	71%	0.706	23%	0.232	S	C	*	.	S	Bend	trans	-95.2	-31.5	-167.8	-59.8	-169.5	151.5	0	0	114.9	M222 Q227	E190-M222 WeakPolarHBondContact O-CE 3.12Å; E190-Q227 PolarHBondContact O-NE2 3.19Å
191	M	87.8	Confident	89	Confident	94 Å²	94	43.6 Å²	43.6	46%	0.463	23%	0.234	S	C	.	.			trans	-141.1	141.2	175.8	-61.6	-157.9	-51	0	0	111.1	S188 Q227	S188-M191 WeakPolarHBondContact CB-O 3.42Å; S188-M191 PolarHBondContact OG-N 3.5Å; S188-M191 PolarHBondContact OG-O 2.88Å; M191-Q227 CarbonylContact C-O 3.54Å; M191-Q227 VanDerWaalsContact CA-O 3.29Å; M191-Q227 WeakPolarHBondContact CA-O 3.4Å; M191-Q227 HydrophobicContact CG-CB 4.24Å; M191-Q227 HydrophobicContact CG-CG 4.42Å
192	I	91.1	Very high	88.9	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	109.2	179.6	-66.5	157.8	0	0	0	108.7	I194 L211 I214 L219 M222 Q227 V228 T229	I192-I194 HydrophobicContact CG2-CD1 4.29Å; I192-I194 HydrophobicContact CG2-CG1 3.79Å; I192-L211 HydrophobicContact CG2-CD1 3.83Å; I192-I214 HydrophobicContact CD1-CD1 3.5Å; I192-I214 VanDerWaalsContact CD1-CD1 3.5Å; I192-I214 HydrophobicContact CG1-CD1 4.34Å; I192-L219 HydrophobicContact CD1-CD1 3.67Å; I192-M222 HydrophobicContact CD1-CE 3.58Å; I192-M222 HydrophobicContact CD1-SD 3.77Å; I192-M222 HydrophobicContact CG1-CE 3.65Å; I192-M222 HydrophobicContact CG1-SD 4.45Å; I192-Q227 PolarHBondContact N-O 3.04Å; I192-V228 HydrophobicContact CB-CG1 4.35Å; I192-V228 HydrophobicContact CB-CG2 4.41Å; I192-V228 HydrophobicContact CD1-CG2 4.32Å; I192-V228 HydrophobicContact CG2-CG1 4.28Å; I192-V228 WeakPolarHBondContact O-CA 3.48Å; I192-T229 PolarHBondContact O-N 3Å
193	E	90.9	Very high	88.8	Confident	121 Å²	121	49.4 Å²	49.4	57%	0.565	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.4	172.4	-58.5	-168	162.1	0	0	109.4	T229	E193-T229 WeakPolarHBondContact CA-O 3.22Å
194	I	92.7	Very high	88.9	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.8	-176.2	-51.1	-176	0	0	0	109.5	I192 Y209 L211 V228 T229 M230 L231 F244	I192-I194 HydrophobicContact CG2-CD1 4.29Å; I192-I194 HydrophobicContact CG2-CG1 3.79Å; I194-Y209 HydrophobicContact CG2-CD1 4.16Å; I194-L211 HydrophobicContact CD1-CB 4.33Å; I194-L211 HydrophobicContact CD1-CD1 4.26Å; I194-L211 HydrophobicContact CD1-CD2 4.31Å; I194-V228 HydrophobicContact CD1-CG1 4.21Å; I194-T229 PolarHBondContact N-O 2.86Å; I194-M230 HydrophobicContact CB-CG 4.26Å; I194-M230 HydrophobicContact CD1-CE 4.34Å; I194-M230 HydrophobicContact CD1-CG 4.24Å; I194-L231 PolarHBondContact O-N 2.82Å; I194-F244 HydrophobicContact CD1-CE2 4.01Å; I194-F244 HydrophobicContact CD1-CZ 3.83Å; I194-F244 HydrophobicContact CG2-CE2 4.39Å
195	S	91.8	Very high	89.3	Confident	39 Å²	39	50 Å²	50	27%	0.273	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-96.7	121.9	179.1	-65.7	0	0	0	0	111.9	N130	N130-S195 PolarHBondContact ND2-O 3.21Å; N130-S195 VanDerWaalsContact ND2-O 3.08Å
196	P	93.7	Very high	89.7	Confident	14 Å²	14	47.7 Å²	47.7	9%	0.091	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-75.7	141.1	180	28.3	-33.3	0	0	0	113.1	L198 A207 L208 Y209 L231	P196-L198 HydrophobicContact CB-CD2 4.04Å; P196-L198 HydrophobicContact CG-CD2 3.96Å; P196-A207 HydrophobicContact CB-CB 4.2Å; P196-L208 CarbonylContact C-O 3.59Å; P196-L208 WeakPolarHBondContact CA-O 3.37Å; P196-Y209 HydrophobicContact CB-CD1 3.74Å; P196-Y209 HydrophobicContact CB-CD2 4.08Å; P196-Y209 HydrophobicContact CB-CE1 3.59Å; P196-Y209 HydrophobicContact CB-CE2 3.94Å; P196-Y209 HydrophobicContact CB-CG 3.98Å; P196-Y209 HydrophobicContact CG-CD1 4.14Å; P196-Y209 HydrophobicContact CG-CE1 3.57Å; P196-Y209 HydrophobicContact CG-CE2 4.49Å; P196-L231 WeakPolarHBondContact CD-O 3.33Å; P196-L231 WeakPolarHBondContact CG-O 3.5Å
197	I	94.1	Very high	90.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	126.8	160.3	-60.3	162.3	0	0	0	107.5	I123 N130 F131 F153 F183 L199 L208	I123-I197 HydrophobicContact CD1-CG2 4.18Å; I123-I197 HydrophobicContact CG1-CG2 4.23Å; N130-I197 HydrophobicContact CB-CD1 4.44Å; N130-I197 HydrophobicContact CB-CG1 3.84Å; N130-I197 VanDerWaalsContact CG-CG1 3.47Å; F131-I197 HydrophobicContact CE1-CD1 4.12Å; F131-I197 HydrophobicContact CZ-CD1 3.68Å; F131-I197 HydrophobicContact CZ-CG1 4.16Å; F153-I197 HydrophobicContact CD1-CD1 4.05Å; F153-I197 HydrophobicContact CE1-CD1 4.18Å; F183-I197 HydrophobicContact CB-CD1 3.7Å; F183-I197 HydrophobicContact CD1-CD1 4.45Å; F183-I197 HydrophobicContact CD2-CD1 3.67Å; F183-I197 HydrophobicContact CE2-CD1 4.42Å; F183-I197 HydrophobicContact CG-CD1 3.69Å; I197-L199 HydrophobicContact CG2-CD2 3.86Å; I197-L199 HydrophobicContact CG2-CG 4.12Å; I197-L208 HydrophobicContact CB-CB 4.34Å; I197-L208 HydrophobicContact CD1-CD2 4.4Å; I197-L208 PolarHBondContact N-O 2.83Å; I197-L208 PolarHBondContact O-N 3.31Å
198	L	94.4	Very high	91.5	Very high	26 Å²	26	41 Å²	41	14%	0.136	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	110	-176.7	-60.4	-176.5	0	0	0	110.6	I123 L124 S125 P196 A207 P233 W240	I123-L198 CarbonylContact C-O 3.58Å; I123-L198 WeakPolarHBondContact CA-O 3.43Å; L124-L198 HydrophobicContact CB-CB 4.22Å; L124-L198 PolarHBondContact N-O 3.45Å; S125-L198 PolarHBondContact OG-N 3.32Å; S125-L198 VanDerWaalsContact OG-N 3.11Å; P196-L198 HydrophobicContact CB-CD2 4.04Å; P196-L198 HydrophobicContact CG-CD2 3.96Å; L198-A207 HydrophobicContact CD2-CB 3.87Å; L198-P233 HydrophobicContact CD1-CB 4.49Å; L198-P233 HydrophobicContact CD2-CG 3.83Å; L198-W240 HydrophobicContact CB-CH2 3.72Å; L198-W240 HydrophobicContact CB-CZ3 3.82Å; L198-W240 HydrophobicContact CD1-CH2 4.14Å; L198-W240 HydrophobicContact CD1-CZ2 4.24Å; L198-W240 HydrophobicContact CD2-CD2 4.44Å; L198-W240 HydrophobicContact CD2-CE3 4.06Å; L198-W240 HydrophobicContact CD2-CH2 4.09Å; L198-W240 HydrophobicContact CD2-CZ2 4.42Å; L198-W240 HydrophobicContact CD2-CZ3 3.89Å; L198-W240 HydrophobicContact CG-CH2 4.19Å; L198-W240 HydrophobicContact CG-CZ3 4.33Å
199	L	94.8	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.4	-176.2	-57	173.8	0	0	0	110.5	F43 F84 F121 N122 I123 I197 L206 L208	F43-L199 HydrophobicContact CE1-CB 4.23Å; F43-L199 HydrophobicContact CZ-CB 3.79Å; F84-L199 HydrophobicContact CE1-CD1 3.81Å; F84-L199 HydrophobicContact CZ-CD1 3.78Å; F121-L199 HydrophobicContact CD2-CD2 3.85Å; F121-L199 HydrophobicContact CE2-CD2 3.75Å; N122-L199 WeakPolarHBondContact O-CA 3.47Å; I123-L199 HydrophobicContact CD1-CD2 4.09Å; I123-L199 HydrophobicContact CG1-CD2 3.44Å; I123-L199 VanDerWaalsContact CG1-CD2 3.44Å; I197-L199 HydrophobicContact CG2-CD2 3.86Å; I197-L199 HydrophobicContact CG2-CG 4.12Å; L199-L206 HydrophobicContact CB-CB 4.13Å; L199-L206 HydrophobicContact CB-CD2 4.37Å; L199-L206 HydrophobicContact CB-CG 4.33Å; L199-L206 HydrophobicContact CD1-CD2 3.83Å; L199-L206 HydrophobicContact CD1-CG 4.22Å; L199-L206 PolarHBondContact N-O 3.38Å; L199-L206 PolarHBondContact O-N 3.45Å; L199-L208 HydrophobicContact CD1-CB 4.39Å; L199-L208 HydrophobicContact CD1-CD2 4.45Å
200	Q	94.8	Very high	93.2	Very high	60 Å²	60	33.1 Å²	33.1	28%	0.28	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.6	170.7	-176	177	-17.2	0	0	111.4	F121 N122 L124 G202 T204 K205	F121-Q200 WeakPolarHBondContact CA-O 3.22Å; F121-Q200 WeakPolarHBondContact CB-O 3.29Å; N122-Q200 PolarHBondContact N-O 2.94Å; N122-Q200 PolarHBondContact O-N 3.47Å; L124-Q200 HydrophobicContact CD1-CB 4.15Å; L124-Q200 HydrophobicContact CG-CB 4.5Å; Q200-G202 PolarHBondContact NE2-O 3.2Å; Q200-T204 WeakPolarHBondContact CA-O 3.47Å; Q200-K205 HydrophobicContact CG-CG 4.35Å
201	K	94.7	Very high	93.8	Very high	11 Å²	11	26.2 Å²	26.2	5%	0.048	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	114.8	171.5	-173.5	-179	170.3	179.9	0	108.7	D39 E40 T42 F43 D83 T120 F121 S203 T204	D39-K201 PolarHBondContact O-NZ 3.11Å; E40-K201 WeakPolarHBondContact O-CE 3.32Å; E40-K201 WeakPolarHBondContact O-CG 3.45Å; T42-K201 WeakPolarHBondContact O-CE 3.37Å; T42-K201 PolarHBondContact O-NZ 3.43Å; F43-K201 HydrophobicContact CD1-CB 4.16Å; F43-K201 HydrophobicContact CD1-CD 4.27Å; F43-K201 HydrophobicContact CD2-CB 3.98Å; F43-K201 HydrophobicContact CE1-CB 3.77Å; F43-K201 HydrophobicContact CE2-CB 3.57Å; F43-K201 HydrophobicContact CG-CB 4.26Å; F43-K201 HydrophobicContact CG-CD 4.4Å; F43-K201 HydrophobicContact CZ-CB 3.46Å; F43-K201 VanDerWaalsContact CZ-CB 3.46Å; D83-K201 IonicContact OD1-NZ 2.66Å; D83-K201 PolarHBondContact OD1-NZ 3.49Å; D83-K201 IonicContact OD2-NZ 3.91Å; D83-K201 PolarHBondContact OD2-NZ 2.67Å; T120-K201 WeakPolarHBondContact OG1-CD 3.4Å; T120-K201 WeakPolarHBondContact OG1-CE 3.44Å; F121-K201 HydrophobicContact CB-CB 3.86Å; F121-K201 HydrophobicContact CB-CG 4.33Å; K201-S203 PolarHBondContact O-N 3.04Å; K201-T204 PolarHBondContact N-O 3.2Å; K201-T204 PolarHBondContact O-N 3.21Å
202	G	92.2	Very high	94.1	Very high	46 Å²	46	21.7 Å²	21.7	47%	0.474	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-122.9	-173.2	0	0	0	0	0	111.8	D41 Q200	D41-G202 WeakPolarHBondContact OD1-CA 3.49Å; Q200-G202 PolarHBondContact NE2-O 3.2Å
203	S	92.3	Very high	94.2	Very high	81 Å²	81	22.7 Å²	22.7	57%	0.566	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.2	174.4	75.1	0	0	0	0	114.8	D41 K201	D41-S203 PolarHBondContact OD1-N 2.94Å; D41-S203 PolarHBondContact OD1-OG 2.89Å; D41-S203 PolarHBondContact OD2-OG 3.38Å; K201-S203 PolarHBondContact O-N 3.04Å
204	T	95.3	Very high	94.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.7	-176	-63.9	0	0	0	0	112.1	D41 F43 Q200 K201 V319 G321	D41-T204 VanDerWaalsContact O-CB 3.27Å; D41-T204 WeakPolarHBondContact O-CB 3.32Å; D41-T204 PolarHBondContact O-OG1 3.36Å; F43-T204 HydrophobicContact CD2-CG2 3.74Å; F43-T204 HydrophobicContact CE2-CG2 4Å; Q200-T204 WeakPolarHBondContact CA-O 3.47Å; K201-T204 PolarHBondContact N-O 3.2Å; K201-T204 PolarHBondContact O-N 3.21Å; T204-V319 HydrophobicContact CG2-CG1 4.44Å; T204-G321 PolarHBondContact OG1-N 3.15Å
205	K	95.3	Very high	94.2	Very high	38 Å²	38	21.2 Å²	21.2	17%	0.165	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.7	175.9	-68.8	-174.4	177	-175.5	0	110.5	Q200 D236 W240 F241	Q200-K205 HydrophobicContact CG-CG 4.35Å; K205-D236 IonicContact NZ-OD2 2.7Å; K205-D236 PolarHBondContact NZ-OD2 3.13Å; K205-W240 HydrophobicContact CB-CD2 3.91Å; K205-W240 HydrophobicContact CB-CE3 3.62Å; K205-W240 HydrophobicContact CB-CH2 4.32Å; K205-W240 HydrophobicContact CB-CZ3 3.83Å; K205-W240 HydrophobicContact CD-CD2 4.44Å; K205-W240 HydrophobicContact CD-CH2 4.28Å; K205-W240 HydrophobicContact CD-CZ2 4.03Å; K205-W240 HydrophobicContact CG-CH2 4.42Å; K205-W240 HydrophobicContact CG-CZ3 4.38Å; K205-F241 PolarHBondContact O-N 3.32Å
206	L	96.2	Very high	94.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.3	-174.6	166.9	64.2	0	0	0	109.7	F43 I45 F84 L199 F241 L243	F43-L206 HydrophobicContact CD1-CD2 4.14Å; F43-L206 HydrophobicContact CD2-CB 4.16Å; F43-L206 HydrophobicContact CD2-CD2 4.07Å; F43-L206 HydrophobicContact CE1-CD2 4.17Å; F43-L206 HydrophobicContact CE2-CB 3.71Å; F43-L206 HydrophobicContact CE2-CD2 4.11Å; F43-L206 HydrophobicContact CG-CD2 4.07Å; F43-L206 HydrophobicContact CZ-CB 4.14Å; F43-L206 HydrophobicContact CZ-CD2 4.16Å; I45-L206 HydrophobicContact CD1-CD2 3.84Å; F84-L206 HydrophobicContact CE1-CD2 4.09Å; F84-L206 HydrophobicContact CZ-CD2 3.93Å; L199-L206 HydrophobicContact CB-CB 4.13Å; L199-L206 HydrophobicContact CB-CD2 4.37Å; L199-L206 HydrophobicContact CB-CG 4.33Å; L199-L206 HydrophobicContact CD1-CD2 3.83Å; L199-L206 HydrophobicContact CD1-CG 4.22Å; L199-L206 PolarHBondContact N-O 3.38Å; L199-L206 PolarHBondContact O-N 3.45Å; L206-F241 HydrophobicContact CD1-CD1 3.74Å; L206-L243 HydrophobicContact CD1-CB 3.83Å; L206-L243 HydrophobicContact CD1-CD2 4.17Å
207	A	95.9	Very high	94.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	109.4	174.8	0	0	0	0	0	108.7	P196 L198 Y209 W240 F241 L243	P196-A207 HydrophobicContact CB-CB 4.2Å; L198-A207 HydrophobicContact CD2-CB 3.87Å; A207-Y209 HydrophobicContact CB-CD2 4.44Å; A207-Y209 HydrophobicContact CB-CE2 3.69Å; A207-Y209 WeakPolarHBondContact O-CD2 3.39Å; A207-W240 HydrophobicContact CB-CB 4.21Å; A207-W240 HydrophobicContact CB-CD2 4.42Å; A207-W240 HydrophobicContact CB-CE3 4.04Å; A207-F241 PolarHBondContact N-O 3.21Å; A207-L243 PolarHBondContact O-N 3.26Å
208	L	96.4	Very high	94	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	104.6	-179.2	174.9	62	0	0	0	109.8	L86 F153 F183 P196 I197 L199 L243	L86-L208 HydrophobicContact CD1-CD1 4.15Å; L86-L208 HydrophobicContact CD1-CD2 4.46Å; L86-L208 HydrophobicContact CD2-CD1 4.2Å; F153-L208 HydrophobicContact CB-CD2 4.31Å; F153-L208 HydrophobicContact CD1-CD2 4.38Å; F153-L208 HydrophobicContact CG-CD2 4.28Å; F183-L208 HydrophobicContact CE1-CD2 4.45Å; F183-L208 HydrophobicContact CE2-CD1 4.12Å; F183-L208 HydrophobicContact CE2-CD2 4.06Å; F183-L208 HydrophobicContact CE2-CG 3.74Å; F183-L208 HydrophobicContact CZ-CD1 4.02Å; F183-L208 HydrophobicContact CZ-CD2 3.9Å; F183-L208 HydrophobicContact CZ-CG 3.93Å; P196-L208 CarbonylContact C-O 3.59Å; P196-L208 WeakPolarHBondContact CA-O 3.37Å; I197-L208 HydrophobicContact CB-CB 4.34Å; I197-L208 HydrophobicContact CD1-CD2 4.4Å; I197-L208 PolarHBondContact N-O 2.83Å; I197-L208 PolarHBondContact O-N 3.31Å; L199-L208 HydrophobicContact CD1-CB 4.39Å; L199-L208 HydrophobicContact CD1-CD2 4.45Å; L208-L243 WeakPolarHBondContact CA-O 3.14Å; L208-L243 HydrophobicContact CD1-CB 4.48Å; L208-L243 HydrophobicContact CD1-CD2 4.12Å; L208-L243 HydrophobicContact CD1-CG 4.07Å
209	Y	96.1	Very high	93.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	148.3	171.7	-56.7	-102.6	0	0	0	108.9	I194 P196 A207 M230 N242 L243 F244 A245 F267	I194-Y209 HydrophobicContact CG2-CD1 4.16Å; P196-Y209 HydrophobicContact CB-CD1 3.74Å; P196-Y209 HydrophobicContact CB-CD2 4.08Å; P196-Y209 HydrophobicContact CB-CE1 3.59Å; P196-Y209 HydrophobicContact CB-CE2 3.94Å; P196-Y209 HydrophobicContact CB-CG 3.98Å; P196-Y209 HydrophobicContact CG-CD1 4.14Å; P196-Y209 HydrophobicContact CG-CE1 3.57Å; P196-Y209 HydrophobicContact CG-CE2 4.49Å; A207-Y209 HydrophobicContact CB-CD2 4.44Å; A207-Y209 HydrophobicContact CB-CE2 3.69Å; A207-Y209 WeakPolarHBondContact O-CD2 3.39Å; Y209-M230 HydrophobicContact CD1-CB 4.44Å; Y209-M230 HydrophobicContact CE1-CB 4.29Å; Y209-N242 HydrophobicContact CE2-CB 4.07Å; Y209-N242 PolarHBondContact OH-OD1 3.32Å; Y209-L243 PolarHBondContact N-O 2.83Å; Y209-F244 WeakPolarHBondContact O-CA 3.18Å; Y209-A245 PolarHBondContact O-N 2.76Å; Y209-F267 HydrophobicContact CE1-CE2 4.31Å; Y209-F267 HydrophobicContact CE1-CZ 4.19Å; Y209-F267 AromaticContact CE2-CE2 3.98Å; Y209-F267 HydrophobicContact CE2-CE2 3.98Å; Y209-F267 AromaticContact CZ-CE2 3.65Å; Y209-F267 AromaticContact CZ-CZ 3.99Å; Y209-F267 WeakPolarHBondContact OH-CE2 3.49Å
210	G	95.1	Very high	93.8	Very high	4 Å²	4	30 Å²	30	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	144.7	176.1	0	0	0	0	0	111.6	G184 A245	G184-G210 VanDerWaalsContact CA-O 3.26Å; G184-G210 WeakPolarHBondContact CA-O 3.33Å; G210-A245 WeakPolarHBondContact CA-O 3.26Å
211	L	94.6	Very high	93.7	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	110.4	170.8	-174.2	64.2	0	0	0	108.5	I155 I192 I194 I214 L219 F244 A245 I246	I155-L211 WeakPolarHBondContact CD1-O 3.16Å; I192-L211 HydrophobicContact CG2-CD1 3.83Å; I194-L211 HydrophobicContact CD1-CB 4.33Å; I194-L211 HydrophobicContact CD1-CD1 4.26Å; I194-L211 HydrophobicContact CD1-CD2 4.31Å; L211-I214 HydrophobicContact CD1-CD1 3.9Å; L211-I214 HydrophobicContact CG-CD1 4.42Å; L211-L219 HydrophobicContact CD2-CD1 4.15Å; L211-L219 HydrophobicContact CD2-CD2 3.66Å; L211-F244 HydrophobicContact CB-CE2 3.97Å; L211-F244 HydrophobicContact CB-CZ 4.06Å; L211-A245 PolarHBondContact N-O 3.45Å; L211-I246 HydrophobicContact CB-CG2 4.13Å
212	G	93.3	Very high	93.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.			trans	-62.4	162	170.6	0	0	0	0	0	111.7	H156 G184 I214	H156-G212 CarbonylContact O-C 3.48Å; H156-G212 VanDerWaalsContact O-CA 3.25Å; H156-G212 WeakPolarHBondContact O-CA 3.26Å; G184-G212 PolarHBondContact O-N 3.35Å; G212-I214 PolarHBondContact O-N 3.47Å
213	S	94.2	Very high	93.6	Very high	24 Å²	24	33 Å²	33	17%	0.168	16%	0.164	C	C	.	.			trans	-62.3	134.7	-173.5	-165.1	0	0	0	0	113	H156 G157 H247	H156-S213 PolarHBondContact CE1-N 3.32Å; H156-S213 PolarHBondContact CE1-O 3.13Å; H156-S213 VanDerWaalsContact CE1-O 3.32Å; H156-S213 PolarHBondContact ND1-N 2.63Å; H156-S213 PolarHBondContact O-N 2.78Å; G157-S213 WeakPolarHBondContact O-CB 3.37Å; S213-H247 PolarHBondContact OG-O 2.91Å
214	I	92.3	Very high	93.6	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	16%	0.161	C	C	.	.			trans	-128.3	143.4	174.2	-62.2	175.6	0	0	0	106.5	S186 I192 L211 G212 D216 R218 L219 Q248	S186-I214 WeakPolarHBondContact OG-CD1 3.4Å; I192-I214 HydrophobicContact CD1-CD1 3.5Å; I192-I214 VanDerWaalsContact CD1-CD1 3.5Å; I192-I214 HydrophobicContact CG1-CD1 4.34Å; L211-I214 HydrophobicContact CD1-CD1 3.9Å; L211-I214 HydrophobicContact CG-CD1 4.42Å; G212-I214 PolarHBondContact O-N 3.47Å; I214-D216 PolarHBondContact O-N 2.95Å; I214-D216 VanDerWaalsContact O-N 3.16Å; I214-R218 HydrophobicContact CG2-CB 4.33Å; I214-R218 HydrophobicContact CG2-CG 4.23Å; I214-L219 HydrophobicContact CB-CB 4.35Å; I214-L219 HydrophobicContact CD1-CD1 4.42Å; I214-L219 HydrophobicContact CG2-CB 4.11Å; I214-Q248 PolarHBondContact O-NE2 3.22Å; I214-Q248 PolarHBondContact O-OE1 2.73Å
215	P	91.6	Very high	93.5	Very high	92 Å²	92	37.5 Å²	37.5	60%	0.597	18%	0.184	S	C	*	.			trans	-53.8	124.4	176.7	-28.3	36	0	0	0	112	E217 R218 L219	P215-E217 VanDerWaalsContact C-N 3.29Å; P215-E217 PolarHBondContact O-N 3.35Å; P215-E217 VanDerWaalsContact O-N 3.15Å; P215-R218 WeakPolarHBondContact O-CA 3.12Å; P215-R218 WeakPolarHBondContact O-CB 3.48Å; P215-R218 PolarHBondContact O-N 3.01Å; P215-L219 PolarHBondContact O-N 2.93Å; P215-L219 VanDerWaalsContact O-N 3.16Å
216	D	92.2	Very high	93.3	Very high	28 Å²	28	44.3 Å²	44.3	15%	0.15	21%	0.214	C	C	.	.	H	α-helix	trans	-56.1	-40.5	-165.2	-57.8	-95.6	0	0	0	113	I214 R218 L219 Y220 Q248 N249	I214-D216 PolarHBondContact O-N 2.95Å; I214-D216 VanDerWaalsContact O-N 3.16Å; D216-R218 VanDerWaalsContact C-N 3.25Å; D216-R218 PolarHBondContact O-N 3.37Å; D216-L219 PolarHBondContact O-N 3.34Å; D216-Y220 VanDerWaalsContact O-CB 3.23Å; D216-Y220 WeakPolarHBondContact O-CB 3.48Å; D216-Y220 PolarHBondContact O-N 3.44Å; D216-Q248 PolarHBondContact OD1-OE1 3.05Å; D216-N249 WeakPolarHBondContact OD1-CB 3.34Å; D216-N249 PolarHBondContact OD1-N 2.92Å; D216-N249 PolarHBondContact OD2-ND2 3.37Å
217	E	90.4	Very high	93.1	Very high	111 Å²	111	46.8 Å²	46.8	52%	0.519	23%	0.226	S	C	.	.	H	α-helix	trans	-58.7	-36	177.3	-65.3	-177.2	-171.2	0	0	112.7	P215 R221 N257	P215-E217 VanDerWaalsContact C-N 3.29Å; P215-E217 PolarHBondContact O-N 3.35Å; P215-E217 VanDerWaalsContact O-N 3.15Å; E217-R221 WeakPolarHBondContact O-CB 3.5Å; E217-R221 PolarHBondContact O-N 3.25Å; E217-N257 PolarHBondContact OE1-ND2 3.25Å
218	R	91.1	Very high	93	Very high	72 Å²	72	47.8 Å²	47.8	27%	0.272	23%	0.231	S	C	.	.	H	α-helix	trans	-70.9	-49.2	175.9	175.7	-178.5	169.8	-150.1	-9.4	109.8	S188 V189 I214 P215 D216 R221 M222	S188-R218 PolarHBondContact O-NH2 2.78Å; V189-R218 PolarHBondContact O-NH2 3.24Å; I214-R218 HydrophobicContact CG2-CB 4.33Å; I214-R218 HydrophobicContact CG2-CG 4.23Å; P215-R218 WeakPolarHBondContact O-CA 3.12Å; P215-R218 WeakPolarHBondContact O-CB 3.48Å; P215-R218 PolarHBondContact O-N 3.01Å; D216-R218 VanDerWaalsContact C-N 3.25Å; D216-R218 PolarHBondContact O-N 3.37Å; R218-R221 PolarHBondContact O-N 3.36Å; R218-M222 HydrophobicContact CG-SD 3.92Å; R218-M222 VanDerWaalsContact O-CG 3.31Å; R218-M222 WeakPolarHBondContact O-CG 3.21Å; R218-M222 PolarHBondContact O-N 3.5Å
219	L	92.8	Very high	92.7	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-41.1	-177.5	-176.3	62.1	0	0	0	111.7	I192 L211 I214 P215 D216 R221 M222 F223 V228 Q248 I259	I192-L219 HydrophobicContact CD1-CD1 3.67Å; L211-L219 HydrophobicContact CD2-CD1 4.15Å; L211-L219 HydrophobicContact CD2-CD2 3.66Å; I214-L219 HydrophobicContact CB-CB 4.35Å; I214-L219 HydrophobicContact CD1-CD1 4.42Å; I214-L219 HydrophobicContact CG2-CB 4.11Å; P215-L219 PolarHBondContact O-N 2.93Å; P215-L219 VanDerWaalsContact O-N 3.16Å; D216-L219 PolarHBondContact O-N 3.34Å; L219-R221 VanDerWaalsContact C-N 3.33Å; L219-R221 PolarHBondContact O-N 3.34Å; L219-M222 PolarHBondContact O-N 3.46Å; L219-M222 VanDerWaalsContact O-N 3.1Å; L219-F223 HydrophobicContact CD1-CD2 4.09Å; L219-F223 HydrophobicContact CD1-CE2 3.82Å; L219-F223 HydrophobicContact CD2-CE2 3.83Å; L219-F223 HydrophobicContact CG-CD2 3.82Å; L219-F223 HydrophobicContact CG-CE2 3.58Å; L219-F223 WeakPolarHBondContact O-CD2 3.42Å; L219-F223 PolarHBondContact O-N 2.77Å; L219-V228 HydrophobicContact CD1-CG2 3.95Å; L219-Q248 HydrophobicContact CD2-CG 3.88Å; L219-I259 HydrophobicContact CB-CD1 4.04Å; L219-I259 HydrophobicContact CD2-CD1 4.01Å; L219-I259 HydrophobicContact CD2-CG1 4.14Å; L219-I259 HydrophobicContact CG-CD1 3.94Å
220	Y	93.6	Very high	92.6	Very high	50 Å²	50	51.4 Å²	51.4	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-54.6	-48.2	172.4	-173.1	-81.1	0	0	0	111.4	D216 M222 F223 V224 T256 Y258 P260 F263	D216-Y220 VanDerWaalsContact O-CB 3.23Å; D216-Y220 WeakPolarHBondContact O-CB 3.48Å; D216-Y220 PolarHBondContact O-N 3.44Å; Y220-M222 VanDerWaalsContact C-N 3.33Å; Y220-M222 PolarHBondContact O-N 2.8Å; Y220-F223 PolarHBondContact O-N 2.97Å; Y220-V224 HydrophobicContact CD1-CG2 3.99Å; Y220-V224 HydrophobicContact CE1-CG2 3.7Å; Y220-V224 WeakPolarHBondContact O-CG2 3.4Å; Y220-V224 PolarHBondContact O-N 3.2Å; Y220-T256 HydrophobicContact CD1-CG2 3.77Å; Y220-T256 HydrophobicContact CE1-CG2 3.82Å; Y220-T256 HydrophobicContact CG-CG2 4.41Å; Y220-Y258 VanDerWaalsContact CD2-O 3.3Å; Y220-Y258 WeakPolarHBondContact CD2-O 3.32Å; Y220-P260 HydrophobicContact CD2-CG 4.44Å; Y220-P260 HydrophobicContact CE2-CG 3.83Å; Y220-F263 HydrophobicContact CD1-CE2 4.38Å; Y220-F263 HydrophobicContact CD2-CD2 4.43Å; Y220-F263 AromaticContact CD2-CE2 3.57Å; Y220-F263 HydrophobicContact CD2-CE2 3.57Å; Y220-F263 HydrophobicContact CD2-CZ 4.25Å; Y220-F263 HydrophobicContact CE1-CE2 4.34Å; Y220-F263 HydrophobicContact CE1-CZ 4.38Å; Y220-F263 AromaticContact CE2-CE2 3.54Å; Y220-F263 HydrophobicContact CE2-CE2 3.54Å; Y220-F263 AromaticContact CE2-CZ 3.74Å; Y220-F263 HydrophobicContact CE2-CZ 3.74Å; Y220-F263 HydrophobicContact CG-CE2 4.02Å; Y220-F263 AromaticContact CZ-CE2 3.94Å; Y220-F263 AromaticContact CZ-CZ 3.8Å
221	R	92.3	Very high	92.4	Very high	149 Å²	149	54.8 Å²	54.8	56%	0.562	27%	0.269	S	S	*	.	H	α-helix	trans	-61.6	-40	176.1	-175.2	177.1	69.5	-152	2.3	111.9	E217 R218 L219 V224 N225	E217-R221 WeakPolarHBondContact O-CB 3.5Å; E217-R221 PolarHBondContact O-N 3.25Å; R218-R221 PolarHBondContact O-N 3.36Å; L219-R221 VanDerWaalsContact C-N 3.33Å; L219-R221 PolarHBondContact O-N 3.34Å; R221-V224 PolarHBondContact O-N 3.31Å; R221-N225 WeakPolarHBondContact O-CB 3.25Å; R221-N225 PolarHBondContact O-N 2.98Å
222	M	91.6	Very high	92.2	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-67.9	-38.9	178.6	-68.8	177.2	77	0	0	112.1	E190 I192 R218 L219 Y220 N225 K226 Q227 V228	E190-M222 WeakPolarHBondContact O-CE 3.12Å; I192-M222 HydrophobicContact CD1-CE 3.58Å; I192-M222 HydrophobicContact CD1-SD 3.77Å; I192-M222 HydrophobicContact CG1-CE 3.65Å; I192-M222 HydrophobicContact CG1-SD 4.45Å; R218-M222 HydrophobicContact CG-SD 3.92Å; R218-M222 VanDerWaalsContact O-CG 3.31Å; R218-M222 WeakPolarHBondContact O-CG 3.21Å; R218-M222 PolarHBondContact O-N 3.5Å; L219-M222 PolarHBondContact O-N 3.46Å; L219-M222 VanDerWaalsContact O-N 3.1Å; Y220-M222 VanDerWaalsContact C-N 3.33Å; Y220-M222 PolarHBondContact O-N 2.8Å; M222-N225 PolarHBondContact O-N 2.89Å; M222-K226 PolarHBondContact O-N 2.8Å; M222-K226 VanDerWaalsContact O-N 3.11Å; M222-Q227 HydrophobicContact CB-CB 4.13Å; M222-Q227 HydrophobicContact CE-CB 4.32Å; M222-Q227 HydrophobicContact CG-CB 4.42Å; M222-Q227 PolarHBondContact O-N 3.2Å; M222-V228 HydrophobicContact CB-CG2 3.88Å
223	F	92.8	Very high	92	Very high	28 Å²	28	59 Å²	59	12%	0.123	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-47.5	170.6	-81.8	-65.4	0	0	0	112.3	L219 Y220 N225 K226 V228 I259 F263 L264	L219-F223 HydrophobicContact CD1-CD2 4.09Å; L219-F223 HydrophobicContact CD1-CE2 3.82Å; L219-F223 HydrophobicContact CD2-CE2 3.83Å; L219-F223 HydrophobicContact CG-CD2 3.82Å; L219-F223 HydrophobicContact CG-CE2 3.58Å; L219-F223 WeakPolarHBondContact O-CD2 3.42Å; L219-F223 PolarHBondContact O-N 2.77Å; Y220-F223 PolarHBondContact O-N 2.97Å; F223-N225 VanDerWaalsContact C-N 3.27Å; F223-N225 PolarHBondContact O-N 3.46Å; F223-K226 PolarHBondContact O-N 2.88Å; F223-V228 HydrophobicContact CD1-CB 3.9Å; F223-V228 HydrophobicContact CD1-CG1 4.31Å; F223-V228 HydrophobicContact CD1-CG2 3.97Å; F223-V228 HydrophobicContact CD2-CG2 4.44Å; F223-V228 HydrophobicContact CE1-CB 3.85Å; F223-V228 HydrophobicContact CE1-CG1 3.74Å; F223-V228 HydrophobicContact CE1-CG2 4.14Å; F223-V228 HydrophobicContact CG-CG2 4.13Å; F223-V228 HydrophobicContact CZ-CB 4.48Å; F223-V228 HydrophobicContact CZ-CG1 4.07Å; F223-V228 HydrophobicContact CZ-CG2 4.45Å; F223-I259 HydrophobicContact CD2-CD1 4.32Å; F223-I259 HydrophobicContact CD2-CG2 4.37Å; F223-I259 HydrophobicContact CE2-CD1 4.43Å; F223-I259 HydrophobicContact CE2-CG2 3.97Å; F223-F263 HydrophobicContact CB-CB 4.18Å; F223-F263 HydrophobicContact CB-CD2 3.38Å; F223-F263 HydrophobicContact CB-CE2 3.91Å; F223-F263 HydrophobicContact CB-CG 3.98Å; F223-F263 HydrophobicContact CD1-CB 3.96Å; F223-F263 WeakPolarHBondContact CD1-O 3.24Å; F223-F263 HydrophobicContact CD2-CB 4.17Å; F223-F263 AromaticContact CD2-CD2 3.92Å; F223-F263 HydrophobicContact CD2-CD2 3.92Å; F223-F263 HydrophobicContact CE1-CB 4.34Å; F223-F263 VanDerWaalsContact CE1-O 3.28Å; F223-F263 WeakPolarHBondContact CE1-O 3.48Å; F223-F263 HydrophobicContact CG-CB 3.87Å; F223-F263 AromaticContact CG-CD2 3.78Å; F223-F263 HydrophobicContact CG-CD2 3.78Å; F223-F263 HydrophobicContact CG-CG 4.2Å; F223-L264 HydrophobicContact CE1-CD2 4.45Å; F223-L264 HydrophobicContact CZ-CD2 3.87Å
224	V	92.8	Very high	91.5	Very high	84 Å²	84	67.9 Å²	67.9	51%	0.509	32%	0.322	S	S	.	.	H	α-helix	trans	-58.9	-39.5	177.2	169.5	0	0	0	0	111.7	Y220 R221 K226 F263	Y220-V224 HydrophobicContact CD1-CG2 3.99Å; Y220-V224 HydrophobicContact CE1-CG2 3.7Å; Y220-V224 WeakPolarHBondContact O-CG2 3.4Å; Y220-V224 PolarHBondContact O-N 3.2Å; R221-V224 PolarHBondContact O-N 3.31Å; V224-K226 VanDerWaalsContact C-N 3.27Å; V224-K226 PolarHBondContact O-N 3.23Å; V224-F263 HydrophobicContact CG2-CE2 4.1Å; V224-F263 HydrophobicContact CG2-CZ 3.89Å
225	N	93.4	Very high	91.1	Very high	90 Å²	90	74.7 Å²	74.7	48%	0.481	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.8	176.6	-69.5	-8.8	0	0	0	114.2	R221 M222 F223 Q227	R221-N225 WeakPolarHBondContact O-CB 3.25Å; R221-N225 PolarHBondContact O-N 2.98Å; M222-N225 PolarHBondContact O-N 2.89Å; F223-N225 VanDerWaalsContact C-N 3.27Å; F223-N225 PolarHBondContact O-N 3.46Å; N225-Q227 VanDerWaalsContact C-N 3.28Å; N225-Q227 HydrophobicContact CB-CG 3.76Å; N225-Q227 PolarHBondContact ND2-OE1 2.85Å; N225-Q227 PolarHBondContact O-N 3.28Å
226	K	91.4	Very high	90.5	Very high	181 Å²	181	74 Å²	74	79%	0.787	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	36.1	-171.6	-52.6	-171.3	177.7	-168.3	0	114.2	M222 F223 V224 V228	M222-K226 PolarHBondContact O-N 2.8Å; M222-K226 VanDerWaalsContact O-N 3.11Å; F223-K226 PolarHBondContact O-N 2.88Å; V224-K226 VanDerWaalsContact C-N 3.27Å; V224-K226 PolarHBondContact O-N 3.23Å; K226-V228 VanDerWaalsContact C-N 3.34Å
227	Q	91.3	Very high	89.9	Confident	53 Å²	53	76.5 Å²	76.5	25%	0.248	36%	0.355	C	S	.	.			trans	-93.5	13.2	176	-64.9	176.5	-74.5	0	0	112.7	E190 M191 I192 M222 N225	E190-Q227 PolarHBondContact O-NE2 3.19Å; M191-Q227 CarbonylContact C-O 3.54Å; M191-Q227 VanDerWaalsContact CA-O 3.29Å; M191-Q227 WeakPolarHBondContact CA-O 3.4Å; M191-Q227 HydrophobicContact CG-CB 4.24Å; M191-Q227 HydrophobicContact CG-CG 4.42Å; I192-Q227 PolarHBondContact N-O 3.04Å; M222-Q227 HydrophobicContact CB-CB 4.13Å; M222-Q227 HydrophobicContact CE-CB 4.32Å; M222-Q227 HydrophobicContact CG-CB 4.42Å; M222-Q227 PolarHBondContact O-N 3.2Å; N225-Q227 VanDerWaalsContact C-N 3.28Å; N225-Q227 HydrophobicContact CB-CG 3.76Å; N225-Q227 PolarHBondContact ND2-OE1 2.85Å; N225-Q227 PolarHBondContact O-N 3.28Å
228	V	93.1	Very high	89.6	Confident	20 Å²	20	76.5 Å²	76.5	12%	0.121	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.1	173.4	-172.8	0	0	0	0	107.8	I192 I194 L219 M222 F223 K226	I192-V228 HydrophobicContact CB-CG1 4.35Å; I192-V228 HydrophobicContact CB-CG2 4.41Å; I192-V228 HydrophobicContact CD1-CG2 4.32Å; I192-V228 HydrophobicContact CG2-CG1 4.28Å; I192-V228 WeakPolarHBondContact O-CA 3.48Å; I194-V228 HydrophobicContact CD1-CG1 4.21Å; L219-V228 HydrophobicContact CD1-CG2 3.95Å; M222-V228 HydrophobicContact CB-CG2 3.88Å; F223-V228 HydrophobicContact CD1-CB 3.9Å; F223-V228 HydrophobicContact CD1-CG1 4.31Å; F223-V228 HydrophobicContact CD1-CG2 3.97Å; F223-V228 HydrophobicContact CD2-CG2 4.44Å; F223-V228 HydrophobicContact CE1-CB 3.85Å; F223-V228 HydrophobicContact CE1-CG1 3.74Å; F223-V228 HydrophobicContact CE1-CG2 4.14Å; F223-V228 HydrophobicContact CG-CG2 4.13Å; F223-V228 HydrophobicContact CZ-CB 4.48Å; F223-V228 HydrophobicContact CZ-CG1 4.07Å; F223-V228 HydrophobicContact CZ-CG2 4.45Å; K226-V228 VanDerWaalsContact C-N 3.34Å
229	T	91.9	Very high	89.6	Confident	59 Å²	59	77.4 Å²	77.4	36%	0.362	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133.2	-179.3	53.5	0	0	0	0	110.8	I192 E193 I194	I192-T229 PolarHBondContact O-N 3Å; E193-T229 WeakPolarHBondContact CA-O 3.22Å; I194-T229 PolarHBondContact N-O 2.86Å
230	M	92.7	Very high	89.7	Confident	18 Å²	18	77.8 Å²	77.8	9%	0.089	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.1	174.6	-55	-161.6	-162.9	0	0	110.6	I194 Y209 R232 F244 D265 F267 I268	I194-M230 HydrophobicContact CB-CG 4.26Å; I194-M230 HydrophobicContact CD1-CE 4.34Å; I194-M230 HydrophobicContact CD1-CG 4.24Å; Y209-M230 HydrophobicContact CD1-CB 4.44Å; Y209-M230 HydrophobicContact CE1-CB 4.29Å; M230-R232 PolarHBondContact O-N 2.85Å; M230-F244 HydrophobicContact CE-CD1 4.05Å; M230-F244 HydrophobicContact CE-CE1 3.47Å; M230-F244 VanDerWaalsContact CE-CE1 3.47Å; M230-F244 HydrophobicContact CE-CE2 4.49Å; M230-F244 HydrophobicContact CE-CZ 3.71Å; M230-F244 HydrophobicContact SD-CE1 4.43Å; M230-F244 HydrophobicContact SD-CZ 4.46Å; M230-D265 WeakPolarHBondContact CG-OD2 3.47Å; M230-F267 HydrophobicContact CB-CE1 4.07Å; M230-F267 HydrophobicContact CB-CZ 3.82Å; M230-F267 HydrophobicContact SD-CZ 4.15Å; M230-I268 HydrophobicContact CE-CD1 3.96Å; M230-I268 HydrophobicContact SD-CD1 3.97Å
231	L	91.4	Very high	89.8	Confident	74 Å²	74	75.5 Å²	75.5	39%	0.387	36%	0.362	S	S	.	.			trans	-83.5	103.6	-177.8	-58.8	-171.7	0	0	0	110.4	I194 P196	I194-L231 PolarHBondContact O-N 2.82Å; P196-L231 WeakPolarHBondContact CD-O 3.33Å; P196-L231 WeakPolarHBondContact CG-O 3.5Å
232	R	90	Very high	90	Very high	87 Å²	87	68.5 Å²	68.5	33%	0.328	34%	0.335	S	S	.	.			trans	-71.6	151	176.8	-67.8	-174.3	71.2	-165.2	-0.6	112	M230 Q237 D238 F267	M230-R232 PolarHBondContact O-N 2.85Å; R232-Q237 PolarHBondContact NH2-O 2.85Å; R232-D238 IonicContact NH2-OD1 3.67Å; R232-F267 HydrophobicContact CG-CD1 4.31Å; R232-F267 HydrophobicContact CG-CD2 4.26Å; R232-F267 HydrophobicContact CG-CE1 4.03Å; R232-F267 HydrophobicContact CG-CE2 4Å; R232-F267 HydrophobicContact CG-CG 4.44Å; R232-F267 HydrophobicContact CG-CZ 3.88Å
233	P	88.2	Confident	90.3	Very high	8 Å²	8	68.2 Å²	68.2	5%	0.052	33%	0.334	C	S	.	.			trans	-53.1	147.8	175	-27	35.2	0	0	0	113.1	L198 E235 Q237 W240	L198-P233 HydrophobicContact CD1-CB 4.49Å; L198-P233 HydrophobicContact CD2-CG 3.83Å; P233-E235 VanDerWaalsContact C-N 3.33Å; P233-Q237 WeakPolarHBondContact O-CG 3.45Å; P233-Q237 PolarHBondContact O-NE2 3.34Å; P233-W240 HydrophobicContact CG-CD2 4.11Å; P233-W240 HydrophobicContact CG-CG 3.99Å
234	K	83.8	Confident	90.5	Very high	210 Å²	210	66.9 Å²	66.9	91%	0.913	33%	0.328	S	S	*	.	S	Bend	trans	-75.3	-24.3	176.3	-67.2	177	-177.2	169.5	0	113.1
235	E	83.9	Confident	90.7	Very high	147 Å²	147	62.9 Å²	62.9	69%	0.687	30%	0.304	S	S	*	.	S	Bend	trans	-119.7	146.6	-176.1	-62.1	-179	-178	0	0	110.4	P233 Q237 W240	P233-E235 VanDerWaalsContact C-N 3.33Å; E235-Q237 VanDerWaalsContact C-N 3.28Å; E235-Q237 PolarHBondContact O-N 3.37Å; E235-Q237 VanDerWaalsContact O-N 3.16Å; E235-W240 PolarHBondContact O-NE1 3.15Å
236	D	79.4	Confident	90.9	Very high	78 Å²	78	58.8 Å²	58.8	42%	0.417	28%	0.282	S	S	.	.			trans	54.7	34.9	169	-85.2	11.6	0	0	0	115.4	K205 D238 N239	K205-D236 IonicContact NZ-OD2 2.7Å; K205-D236 PolarHBondContact NZ-OD2 3.13Å; D236-D238 PolarHBondContact O-N 2.92Å; D236-N239 HydrophobicContact CB-CB 4.18Å; D236-N239 VanDerWaalsContact CG-ND2 3.34Å; D236-N239 PolarHBondContact O-N 2.93Å; D236-N239 PolarHBondContact OD2-ND2 3.07Å
237	Q	80.5	Confident	91.1	Very high	80 Å²	80	50.1 Å²	50.1	37%	0.374	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-27.1	-170.7	-79.2	-169.8	1	0	0	116.7	R232 P233 E235	R232-Q237 PolarHBondContact NH2-O 2.85Å; P233-Q237 WeakPolarHBondContact O-CG 3.45Å; P233-Q237 PolarHBondContact O-NE2 3.34Å; E235-Q237 VanDerWaalsContact C-N 3.28Å; E235-Q237 PolarHBondContact O-N 3.37Å; E235-Q237 VanDerWaalsContact O-N 3.16Å
238	D	83.8	Confident	91.3	Very high	111 Å²	111	47.8 Å²	47.8	59%	0.594	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-3.5	-178.5	-57	-41.2	0	0	0	114.1	R232 D236 R322	R232-D238 IonicContact NH2-OD1 3.67Å; D236-D238 PolarHBondContact O-N 2.92Å; D238-R322 WeakPolarHBondContact O-CD 3.29Å; D238-R322 PolarHBondContact O-NH1 3.49Å
239	N	91.2	Very high	91.4	Very high	92 Å²	92	48 Å²	48	49%	0.492	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-20.2	176.6	-66.2	-26.5	0	0	0	113.1	D236 R322	D236-N239 HydrophobicContact CB-CB 4.18Å; D236-N239 VanDerWaalsContact CG-ND2 3.34Å; D236-N239 PolarHBondContact O-N 2.93Å; D236-N239 PolarHBondContact OD2-ND2 3.07Å; N239-R322 WeakPolarHBondContact O-CG 3.49Å
240	W	94.1	Very high	91.4	Very high	9 Å²	9	47.5 Å²	47.5	3%	0.034	23%	0.225	C	C	.	.	S	Bend	trans	-71.3	134.5	176.5	-62.3	92.7	0	0	0	111.2	L124 L198 K205 A207 P233 E235 N242 R322	L124-W240 HydrophobicContact CD1-CH2 4.23Å; L198-W240 HydrophobicContact CB-CH2 3.72Å; L198-W240 HydrophobicContact CB-CZ3 3.82Å; L198-W240 HydrophobicContact CD1-CH2 4.14Å; L198-W240 HydrophobicContact CD1-CZ2 4.24Å; L198-W240 HydrophobicContact CD2-CD2 4.44Å; L198-W240 HydrophobicContact CD2-CE3 4.06Å; L198-W240 HydrophobicContact CD2-CH2 4.09Å; L198-W240 HydrophobicContact CD2-CZ2 4.42Å; L198-W240 HydrophobicContact CD2-CZ3 3.89Å; L198-W240 HydrophobicContact CG-CH2 4.19Å; L198-W240 HydrophobicContact CG-CZ3 4.33Å; K205-W240 HydrophobicContact CB-CD2 3.91Å; K205-W240 HydrophobicContact CB-CE3 3.62Å; K205-W240 HydrophobicContact CB-CH2 4.32Å; K205-W240 HydrophobicContact CB-CZ3 3.83Å; K205-W240 HydrophobicContact CD-CD2 4.44Å; K205-W240 HydrophobicContact CD-CH2 4.28Å; K205-W240 HydrophobicContact CD-CZ2 4.03Å; K205-W240 HydrophobicContact CG-CH2 4.42Å; K205-W240 HydrophobicContact CG-CZ3 4.38Å; A207-W240 HydrophobicContact CB-CB 4.21Å; A207-W240 HydrophobicContact CB-CD2 4.42Å; A207-W240 HydrophobicContact CB-CE3 4.04Å; P233-W240 HydrophobicContact CG-CD2 4.11Å; P233-W240 HydrophobicContact CG-CG 3.99Å; E235-W240 PolarHBondContact O-NE1 3.15Å; W240-N242 PolarHBondContact O-ND2 2.84Å; W240-N242 VanDerWaalsContact O-ND2 3.14Å; W240-R322 VanDerWaalsContact O-CD 3.23Å; W240-R322 WeakPolarHBondContact O-CD 3.48Å; W240-R322 PolarHBondContact O-NE 3.44Å
241	F	96.5	Very high	91.1	Very high	3 Å²	3	49 Å²	49	1%	0.013	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.3	159.3	-176.9	-93.2	0	0	0	108.9	K205 L206 A207 L243 D269 L270 V319 R322 M324	K205-F241 PolarHBondContact O-N 3.32Å; L206-F241 HydrophobicContact CD1-CD1 3.74Å; A207-F241 PolarHBondContact N-O 3.21Å; F241-L243 HydrophobicContact CD1-CB 4.27Å; F241-L243 HydrophobicContact CE1-CB 4.12Å; F241-D269 WeakPolarHBondContact CA-OD2 3.46Å; F241-D269 HydrophobicContact CD2-CB 3.63Å; F241-D269 HydrophobicContact CE1-CB 4.5Å; F241-D269 HydrophobicContact CE2-CB 3.43Å; F241-D269 VanDerWaalsContact CE2-CB 3.43Å; F241-D269 HydrophobicContact CG-CB 4.27Å; F241-D269 HydrophobicContact CZ-CB 3.92Å; F241-L270 HydrophobicContact CE1-CB 4.07Å; F241-L270 HydrophobicContact CZ-CB 3.69Å; F241-L270 HydrophobicContact CZ-CD2 4.27Å; F241-V319 HydrophobicContact CB-CG1 3.92Å; F241-V319 HydrophobicContact CD1-CG1 3.76Å; F241-V319 HydrophobicContact CD1-CG2 4.26Å; F241-V319 HydrophobicContact CD2-CG1 3.97Å; F241-V319 HydrophobicContact CE1-CG1 4.22Å; F241-V319 HydrophobicContact CE1-CG2 4.03Å; F241-V319 HydrophobicContact CE2-CG1 4.41Å; F241-V319 HydrophobicContact CG-CG1 3.6Å; F241-V319 HydrophobicContact CZ-CG2 4.42Å; F241-R322 HydrophobicContact CB-CG 4.39Å; F241-M324 HydrophobicContact CE2-CB 3.82Å; F241-M324 HydrophobicContact CE2-CG 3.94Å; F241-M324 HydrophobicContact CZ-CB 3.73Å; F241-M324 HydrophobicContact CZ-CG 3.85Å
242	N	96.3	Very high	90.9	Very high	1 Å²	1	53 Å²	53	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.8	-174.2	-59.2	-82.2	0	0	0	109.7	Y209 W240 F267 D269 L270	Y209-N242 HydrophobicContact CE2-CB 4.07Å; Y209-N242 PolarHBondContact OH-OD1 3.32Å; W240-N242 PolarHBondContact O-ND2 2.84Å; W240-N242 VanDerWaalsContact O-ND2 3.14Å; N242-F267 HydrophobicContact CB-CD2 4.15Å; N242-F267 HydrophobicContact CB-CE2 4.22Å; N242-F267 PolarHBondContact ND2-O 3.46Å; N242-D269 PolarHBondContact N-OD2 2.89Å; N242-D269 PolarHBondContact ND2-OD2 3.14Å; N242-D269 PolarHBondContact O-N 2.88Å; N242-L270 PolarHBondContact O-N 3.04Å; N242-L270 VanDerWaalsContact O-N 3.14Å
243	L	97.1	Very high	90.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.1	-179.3	178.9	58.3	0	0	0	109	I45 L86 L206 A207 L208 Y209 F241 L270 V272 L317	I45-L243 HydrophobicContact CD1-CD2 4.18Å; L86-L243 HydrophobicContact CD2-CD2 3.92Å; L86-L243 HydrophobicContact CD2-CG 4.38Å; L206-L243 HydrophobicContact CD1-CB 3.83Å; L206-L243 HydrophobicContact CD1-CD2 4.17Å; A207-L243 PolarHBondContact O-N 3.26Å; L208-L243 WeakPolarHBondContact CA-O 3.14Å; L208-L243 HydrophobicContact CD1-CB 4.48Å; L208-L243 HydrophobicContact CD1-CD2 4.12Å; L208-L243 HydrophobicContact CD1-CG 4.07Å; Y209-L243 PolarHBondContact N-O 2.83Å; F241-L243 HydrophobicContact CD1-CB 4.27Å; F241-L243 HydrophobicContact CE1-CB 4.12Å; L243-L270 WeakPolarHBondContact CA-O 3.34Å; L243-L270 HydrophobicContact CD1-CB 4.03Å; L243-L270 HydrophobicContact CD1-CD2 3.88Å; L243-L270 HydrophobicContact CD1-CG 3.85Å; L243-V272 HydrophobicContact CD1-CG2 3.85Å; L243-L317 HydrophobicContact CD1-CD2 4.46Å; L243-L317 HydrophobicContact CD2-CD2 4.25Å
244	F	97.5	Very high	89.7	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.7	-178.8	-174.4	-148.8	0	0	0	111.2	I194 Y209 L211 M230 I246 L264 I268 L270 V271 V272	I194-F244 HydrophobicContact CD1-CE2 4.01Å; I194-F244 HydrophobicContact CD1-CZ 3.83Å; I194-F244 HydrophobicContact CG2-CE2 4.39Å; Y209-F244 WeakPolarHBondContact O-CA 3.18Å; L211-F244 HydrophobicContact CB-CE2 3.97Å; L211-F244 HydrophobicContact CB-CZ 4.06Å; M230-F244 HydrophobicContact CE-CD1 4.05Å; M230-F244 HydrophobicContact CE-CE1 3.47Å; M230-F244 VanDerWaalsContact CE-CE1 3.47Å; M230-F244 HydrophobicContact CE-CE2 4.49Å; M230-F244 HydrophobicContact CE-CZ 3.71Å; M230-F244 HydrophobicContact SD-CE1 4.43Å; M230-F244 HydrophobicContact SD-CZ 4.46Å; F244-I246 HydrophobicContact CD1-CG2 3.72Å; F244-I246 HydrophobicContact CD2-CG2 3.99Å; F244-I246 HydrophobicContact CE1-CG2 3.23Å; F244-I246 HydrophobicContact CE2-CG2 3.55Å; F244-I246 HydrophobicContact CG-CG2 4.09Å; F244-I246 HydrophobicContact CZ-CG2 3.16Å; F244-L264 HydrophobicContact CD1-CD1 4.38Å; F244-L264 HydrophobicContact CE1-CD1 4.4Å; F244-L264 HydrophobicContact CE1-CD2 4.03Å; F244-I268 HydrophobicContact CB-CD1 4.26Å; F244-I268 HydrophobicContact CB-CG2 4.05Å; F244-I268 HydrophobicContact CD1-CD1 3.8Å; F244-I268 HydrophobicContact CG-CD1 4.34Å; F244-L270 PolarHBondContact N-O 2.56Å; F244-V271 CarbonylContact O-C 3.52Å; F244-V271 WeakPolarHBondContact O-CA 3.42Å; F244-V272 PolarHBondContact O-N 3.43Å
245	A	97.3	Very high	89.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.2	173.1	0	0	0	0	0	111	L86 I155 Y209 G210 L211 V272	L86-A245 HydrophobicContact CD1-CB 4.45Å; I155-A245 HydrophobicContact CD1-CB 4.2Å; I155-A245 HydrophobicContact CG2-CB 4.4Å; Y209-A245 PolarHBondContact O-N 2.76Å; G210-A245 WeakPolarHBondContact CA-O 3.26Å; L211-A245 PolarHBondContact N-O 3.45Å; A245-V272 HydrophobicContact CB-CB 4.47Å
246	I	96.8	Very high	89.8	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.5	178	64.2	178.2	0	0	0	112.3	L211 F244 L264 V271 V272 W273 G274	L211-I246 HydrophobicContact CB-CG2 4.13Å; F244-I246 HydrophobicContact CD1-CG2 3.72Å; F244-I246 HydrophobicContact CD2-CG2 3.99Å; F244-I246 HydrophobicContact CE1-CG2 3.23Å; F244-I246 HydrophobicContact CE2-CG2 3.55Å; F244-I246 HydrophobicContact CG-CG2 4.09Å; F244-I246 HydrophobicContact CZ-CG2 3.16Å; I246-L264 HydrophobicContact CD1-CD1 4.03Å; I246-V271 HydrophobicContact CD1-CG1 4.12Å; I246-V271 HydrophobicContact CG1-CG1 4.22Å; I246-V272 PolarHBondContact N-O 3.22Å; I246-W273 HydrophobicContact CD1-CD2 3.84Å; I246-W273 HydrophobicContact CD1-CE3 3.8Å; I246-W273 HydrophobicContact CD1-CH2 3.9Å; I246-W273 HydrophobicContact CD1-CZ2 3.93Å; I246-W273 HydrophobicContact CD1-CZ3 3.83Å; I246-W273 HydrophobicContact CG1-CD2 4.14Å; I246-W273 HydrophobicContact CG1-CE3 4.41Å; I246-W273 HydrophobicContact CG1-CG 4.36Å; I246-G274 PolarHBondContact O-N 2.86Å
247	H	96.8	Very high	90.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.			trans	-122.6	87.9	176.4	-165.6	99.8	0	0	0	110	D50 G88 D90 I155 G157 N158 S213 H275	D50-H247 IonicContact OD1-CE1 2.67Å; D50-H247 PolarHBondContact OD1-CE1 2.95Å; D50-H247 IonicContact OD2-CE1 2.61Å; D50-H247 PolarHBondContact OD2-CE1 3.39Å; D50-H247 IonicContact OD2-ND1 3.85Å; G88-H247 WeakPolarHBondContact O-CB 3.27Å; G88-H247 PolarHBondContact O-ND1 3.49Å; D90-H247 IonicContact OD1-CE1 3.72Å; D90-H247 IonicContact OD1-NE2 3.72Å; D90-H247 IonicContact OD2-CE1 2.7Å; D90-H247 IonicContact OD2-NE2 3.67Å; I155-H247 HydrophobicContact CD1-CB 3.93Å; G157-H247 VanDerWaalsContact CA-CD2 3.48Å; G157-H247 WeakPolarHBondContact CA-CD2 3.41Å; N158-H247 PolarHBondContact OD1-NE2 3.47Å; S213-H247 PolarHBondContact OG-O 2.91Å; H247-H275 AromaticContact CD2-CG 3.92Å; H247-H275 AromaticContact CD2-ND1 3.54Å; H247-H275 VanDerWaalsContact CE1-CA 3.48Å; H247-H275 WeakPolarHBondContact CE1-CA 3.47Å; H247-H275 PolarHBondContact CE1-N 3.1Å; H247-H275 AromaticContact CE1-ND1 3.99Å; H247-H275 PolarHBondContact ND1-N 3.41Å; H247-H275 AromaticContact NE2-CG 3.67Å; H247-H275 AromaticContact NE2-ND1 3.04Å; H247-H275 PolarHBondContact NE2-ND1 3.45Å
248	Q	95.3	Very high	91	Very high	4 Å²	4	42 Å²	42	2%	0.019	22%	0.223	C	C	.	.	S	Bend	trans	-148.6	161.5	-172.3	-70	-67.6	-88.2	0	0	111.3	I214 D216 L219 I259 W273 H275	I214-Q248 PolarHBondContact O-NE2 3.22Å; I214-Q248 PolarHBondContact O-OE1 2.73Å; D216-Q248 PolarHBondContact OD1-OE1 3.05Å; L219-Q248 HydrophobicContact CD2-CG 3.88Å; Q248-I259 HydrophobicContact CB-CG1 3.9Å; Q248-I259 HydrophobicContact CG-CG1 3.99Å; Q248-W273 PolarHBondContact O-NE1 3.19Å; Q248-H275 WeakPolarHBondContact O-CB 3.3Å
249	N	95.1	Very high	91.5	Very high	25 Å²	25	36.8 Å²	36.8	13%	0.134	20%	0.195	C	C	.	.			trans	-67	133.5	171.4	-78.8	-82.7	0	0	0	111.4	D216 H253 Y258 I259 H275	D216-N249 WeakPolarHBondContact OD1-CB 3.34Å; D216-N249 PolarHBondContact OD1-N 2.92Å; D216-N249 PolarHBondContact OD2-ND2 3.37Å; N249-H253 PolarHBondContact OD1-CD2 3.31Å; N249-Y258 CarbonylContact O-C 3.52Å; N249-Y258 WeakPolarHBondContact O-CA 3.33Å; N249-I259 PolarHBondContact O-N 3.2Å; N249-H275 PolarHBondContact ND2-NE2 3.01Å; N249-H275 PolarHBondContact OD1-NE2 3.48Å
250	R	92.7	Very high	91.6	Very high	47 Å²	47	33 Å²	33	18%	0.177	18%	0.176	C	C	.	.			trans	-104.6	-38.2	175.5	-165.9	-177.4	177.9	-176.9	6.1	111.1	E261 W273 E276	R250-E261 IonicContact CZ-OE1 3.24Å; R250-E261 IonicContact NE-OE1 3.82Å; R250-E261 PolarHBondContact NE-OE1 2.95Å; R250-E261 IonicContact NH2-OE1 3.21Å; R250-E261 PolarHBondContact NH2-OE1 3.03Å; R250-W273 HydrophobicContact CB-CD2 4.3Å; R250-W273 HydrophobicContact CB-CZ2 3.79Å; R250-W273 HydrophobicContact CG-CD2 4.16Å; R250-W273 HydrophobicContact CG-CE3 4.45Å; R250-W273 HydrophobicContact CG-CH2 4.16Å; R250-W273 HydrophobicContact CG-CZ2 3.83Å; R250-W273 HydrophobicContact CG-CZ3 4.47Å; R250-E276 WeakPolarHBondContact CA-OE1 3.24Å; R250-E276 HydrophobicContact CB-CG 3.66Å; R250-E276 WeakPolarHBondContact CB-OE1 3.49Å; R250-E276 PolarHBondContact N-OE1 3.18Å
251	S	86.6	Confident	91.5	Very high	50 Å²	50	34.3 Å²	34.3	35%	0.35	18%	0.182	S	C	.	.	S	Bend	trans	-81.7	149.4	-177.8	102.7	0	0	0	0	111.5	H253 Y258 E276	S251-H253 PolarHBondContact O-N 3.41Å; S251-H253 PolarHBondContact OG-NE2 3.32Å; S251-Y258 VanDerWaalsContact O-CB 3.23Å; S251-Y258 WeakPolarHBondContact O-CB 3.28Å; S251-E276 WeakPolarHBondContact CB-OE1 3.45Å; S251-E276 PolarHBondContact N-OE1 3.49Å
252	K	85.9	Confident	91.3	Very high	158 Å²	158	38.7 Å²	38.7	69%	0.687	20%	0.203	S	C	*	.			trans	-82.8	82.9	-168.9	-58.9	-161	-176.9	-155.6	0	112.7	Y258	K252-Y258 HydrophobicContact CB-CD1 4.45Å; K252-Y258 HydrophobicContact CB-CE1 4.5Å; K252-Y258 HydrophobicContact CD-CE1 4.18Å; K252-Y258 HydrophobicContact CD-CE2 4.03Å; K252-Y258 WeakPolarHBondContact CE-OH 3.41Å; K252-Y258 HydrophobicContact CG-CD1 4.24Å; K252-Y258 HydrophobicContact CG-CD2 4.02Å; K252-Y258 HydrophobicContact CG-CE1 4.07Å; K252-Y258 HydrophobicContact CG-CE2 3.81Å; K252-Y258 HydrophobicContact CG-CG 4.24Å; K252-Y258 PolarHBondContact NZ-OH 3.27Å
253	H	74.6	Confident	91	Very high	134 Å²	134	41.3 Å²	41.3	62%	0.62	21%	0.214	S	C	*	.	S	Bend	trans	-76.7	-24.9	172.9	-68.9	-65.5	0	0	0	113.9	N249 S251	N249-H253 PolarHBondContact OD1-CD2 3.31Å; S251-H253 PolarHBondContact O-N 3.41Å; S251-H253 PolarHBondContact OG-NE2 3.32Å
254	G	79.5	Confident	90.8	Very high	23 Å²	23	41.4 Å²	41.4	24%	0.237	22%	0.215	C	C	.	.	S	Bend	trans	-156	-173.9	178.4	0	0	0	0	0	112.3	T256 Y258	G254-T256 VanDerWaalsContact C-N 3.28Å; G254-T256 PolarHBondContact O-N 3.02Å; G254-Y258 WeakPolarHBondContact O-CD1 3.2Å; G254-Y258 WeakPolarHBondContact O-CE1 3.47Å
255	P	81.1	Confident	90.5	Very high	103 Å²	103	44.6 Å²	44.6	67%	0.669	23%	0.232	S	C	*	.	S	Bend	trans	-68.2	-29.6	176.5	28.8	-34.2	0	0	0	112.6
256	T	88.4	Confident	90.3	Very high	48 Å²	48	50.2 Å²	50.2	29%	0.294	26%	0.262	S	S	.	.	S	Bend	trans	-128.7	-3	-172	42	0	0	0	0	113.4	Y220 G254 Y258	Y220-T256 HydrophobicContact CD1-CG2 3.77Å; Y220-T256 HydrophobicContact CE1-CG2 3.82Å; Y220-T256 HydrophobicContact CG-CG2 4.41Å; G254-T256 VanDerWaalsContact C-N 3.28Å; G254-T256 PolarHBondContact O-N 3.02Å; T256-Y258 VanDerWaalsContact C-N 3.3Å; T256-Y258 PolarHBondContact O-N 3.31Å
257	N	91.4	Very high	90.1	Very high	48 Å²	48	51.3 Å²	51.3	26%	0.257	27%	0.266	S	S	.	.	S	Bend	trans	-99.6	45.7	-167.5	-56.2	57.8	0	0	0	110.6	E217	E217-N257 PolarHBondContact OE1-ND2 3.25Å
258	Y	93.6	Very high	90	Very high	23 Å²	23	51.5 Å²	51.5	9%	0.09	27%	0.267	C	S	.	.	S	Bend	trans	-170.6	154.6	176.4	74.2	-72.5	0	0	0	108.2	Y220 N249 S251 K252 G254 T256 P260	Y220-Y258 VanDerWaalsContact CD2-O 3.3Å; Y220-Y258 WeakPolarHBondContact CD2-O 3.32Å; N249-Y258 CarbonylContact O-C 3.52Å; N249-Y258 WeakPolarHBondContact O-CA 3.33Å; S251-Y258 VanDerWaalsContact O-CB 3.23Å; S251-Y258 WeakPolarHBondContact O-CB 3.28Å; K252-Y258 HydrophobicContact CB-CD1 4.45Å; K252-Y258 HydrophobicContact CB-CE1 4.5Å; K252-Y258 HydrophobicContact CD-CE1 4.18Å; K252-Y258 HydrophobicContact CD-CE2 4.03Å; K252-Y258 WeakPolarHBondContact CE-OH 3.41Å; K252-Y258 HydrophobicContact CG-CD1 4.24Å; K252-Y258 HydrophobicContact CG-CD2 4.02Å; K252-Y258 HydrophobicContact CG-CE1 4.07Å; K252-Y258 HydrophobicContact CG-CE2 3.81Å; K252-Y258 HydrophobicContact CG-CG 4.24Å; K252-Y258 PolarHBondContact NZ-OH 3.27Å; G254-Y258 WeakPolarHBondContact O-CD1 3.2Å; G254-Y258 WeakPolarHBondContact O-CE1 3.47Å; T256-Y258 VanDerWaalsContact C-N 3.3Å; T256-Y258 PolarHBondContact O-N 3.31Å; Y258-P260 HydrophobicContact CD2-CG 4.38Å; Y258-P260 HydrophobicContact CE2-CB 4.22Å; Y258-P260 HydrophobicContact CE2-CG 3.74Å
259	I	94.1	Very high	90	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	27%	0.274	C	S	.	.			trans	-99.7	115.7	173.4	-56.6	-57.5	0	0	0	109.6	L219 F223 Q248 N249 F263 L264 W273	L219-I259 HydrophobicContact CB-CD1 4.04Å; L219-I259 HydrophobicContact CD2-CD1 4.01Å; L219-I259 HydrophobicContact CD2-CG1 4.14Å; L219-I259 HydrophobicContact CG-CD1 3.94Å; F223-I259 HydrophobicContact CD2-CD1 4.32Å; F223-I259 HydrophobicContact CD2-CG2 4.37Å; F223-I259 HydrophobicContact CE2-CD1 4.43Å; F223-I259 HydrophobicContact CE2-CG2 3.97Å; Q248-I259 HydrophobicContact CB-CG1 3.9Å; Q248-I259 HydrophobicContact CG-CG1 3.99Å; N249-I259 PolarHBondContact O-N 3.2Å; I259-F263 HydrophobicContact CG2-CB 4.45Å; I259-L264 HydrophobicContact CG2-CD2 4.42Å; I259-W273 HydrophobicContact CB-CZ2 4.36Å; I259-W273 WeakPolarHBondContact O-CH2 3.23Å
260	P	92.7	Very high	90.1	Very high	13 Å²	13	51.4 Å²	51.4	8%	0.084	27%	0.267	C	S	.	.			trans	-63	135.9	171.4	-17	28.8	0	0	0	110.9	Y220 Y258 Q262 F263	Y220-P260 HydrophobicContact CD2-CG 4.44Å; Y220-P260 HydrophobicContact CE2-CG 3.83Å; Y258-P260 HydrophobicContact CD2-CG 4.38Å; Y258-P260 HydrophobicContact CE2-CB 4.22Å; Y258-P260 HydrophobicContact CE2-CG 3.74Å; P260-Q262 VanDerWaalsContact CB-OE1 3.3Å; P260-Q262 PolarHBondContact O-N 3.25Å; P260-F263 HydrophobicContact CB-CD1 4.26Å; P260-F263 HydrophobicContact CB-CE1 4.44Å; P260-F263 HydrophobicContact CB-CG 4.42Å; P260-F263 HydrophobicContact CG-CD1 4.22Å; P260-F263 HydrophobicContact CG-CD2 4.19Å; P260-F263 HydrophobicContact CG-CE1 4.04Å; P260-F263 HydrophobicContact CG-CE2 4.02Å; P260-F263 HydrophobicContact CG-CG 4.3Å; P260-F263 HydrophobicContact CG-CZ 3.94Å; P260-F263 WeakPolarHBondContact O-CB 3.47Å; P260-F263 PolarHBondContact O-N 3.08Å
261	E	92.7	Very high	90.3	Very high	36 Å²	36	49.2 Å²	49.2	17%	0.168	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-56.9	-24.8	175.9	-58.1	-174.7	-169	0	0	112.4	R250 F263 L264 W273 N286 F291	R250-E261 IonicContact CZ-OE1 3.24Å; R250-E261 IonicContact NE-OE1 3.82Å; R250-E261 PolarHBondContact NE-OE1 2.95Å; R250-E261 IonicContact NH2-OE1 3.21Å; R250-E261 PolarHBondContact NH2-OE1 3.03Å; E261-F263 PolarHBondContact O-N 3.13Å; E261-L264 PolarHBondContact O-N 2.95Å; E261-W273 HydrophobicContact CG-CH2 4.16Å; E261-W273 HydrophobicContact CG-CZ3 3.86Å; E261-N286 WeakPolarHBondContact CB-ND2 3.31Å; E261-N286 PolarHBondContact OE2-ND2 3.05Å; E261-F291 HydrophobicContact CB-CZ 4.36Å; E261-F291 WeakPolarHBondContact O-CZ 3.26Å
262	Q	91.3	Very high	90.9	Very high	95 Å²	95	46.8 Å²	46.8	44%	0.444	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-65.8	-16.9	175.3	-63.8	79	11.6	0	0	114.5	P260 L264 Q289	P260-Q262 VanDerWaalsContact CB-OE1 3.3Å; P260-Q262 PolarHBondContact O-N 3.25Å; Q262-L264 VanDerWaalsContact C-N 3.33Å; Q262-Q289 PolarHBondContact O-NE2 3.45Å
263	F	91.2	Very high	91.4	Very high	56 Å²	56	39.3 Å²	39.3	25%	0.246	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-83.1	-12.6	179.4	-73.1	5.8	0	0	0	112.9	Y220 F223 V224 I259 P260 E261	Y220-F263 HydrophobicContact CD1-CE2 4.38Å; Y220-F263 HydrophobicContact CD2-CD2 4.43Å; Y220-F263 AromaticContact CD2-CE2 3.57Å; Y220-F263 HydrophobicContact CD2-CE2 3.57Å; Y220-F263 HydrophobicContact CD2-CZ 4.25Å; Y220-F263 HydrophobicContact CE1-CE2 4.34Å; Y220-F263 HydrophobicContact CE1-CZ 4.38Å; Y220-F263 AromaticContact CE2-CE2 3.54Å; Y220-F263 HydrophobicContact CE2-CE2 3.54Å; Y220-F263 AromaticContact CE2-CZ 3.74Å; Y220-F263 HydrophobicContact CE2-CZ 3.74Å; Y220-F263 HydrophobicContact CG-CE2 4.02Å; Y220-F263 AromaticContact CZ-CE2 3.94Å; Y220-F263 AromaticContact CZ-CZ 3.8Å; F223-F263 HydrophobicContact CB-CB 4.18Å; F223-F263 HydrophobicContact CB-CD2 3.38Å; F223-F263 HydrophobicContact CB-CE2 3.91Å; F223-F263 HydrophobicContact CB-CG 3.98Å; F223-F263 HydrophobicContact CD1-CB 3.96Å; F223-F263 WeakPolarHBondContact CD1-O 3.24Å; F223-F263 HydrophobicContact CD2-CB 4.17Å; F223-F263 AromaticContact CD2-CD2 3.92Å; F223-F263 HydrophobicContact CD2-CD2 3.92Å; F223-F263 HydrophobicContact CE1-CB 4.34Å; F223-F263 VanDerWaalsContact CE1-O 3.28Å; F223-F263 WeakPolarHBondContact CE1-O 3.48Å; F223-F263 HydrophobicContact CG-CB 3.87Å; F223-F263 AromaticContact CG-CD2 3.78Å; F223-F263 HydrophobicContact CG-CD2 3.78Å; F223-F263 HydrophobicContact CG-CG 4.2Å; V224-F263 HydrophobicContact CG2-CE2 4.1Å; V224-F263 HydrophobicContact CG2-CZ 3.89Å; I259-F263 HydrophobicContact CG2-CB 4.45Å; P260-F263 HydrophobicContact CB-CD1 4.26Å; P260-F263 HydrophobicContact CB-CE1 4.44Å; P260-F263 HydrophobicContact CB-CG 4.42Å; P260-F263 HydrophobicContact CG-CD1 4.22Å; P260-F263 HydrophobicContact CG-CD2 4.19Å; P260-F263 HydrophobicContact CG-CE1 4.04Å; P260-F263 HydrophobicContact CG-CE2 4.02Å; P260-F263 HydrophobicContact CG-CG 4.3Å; P260-F263 HydrophobicContact CG-CZ 3.94Å; P260-F263 WeakPolarHBondContact O-CB 3.47Å; P260-F263 PolarHBondContact O-N 3.08Å; E261-F263 PolarHBondContact O-N 3.13Å
264	L	92.8	Very high	92.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.18	C	C	.	.	S	Bend	trans	-86.4	144.6	177.9	-49.4	-171.6	0	0	0	110.2	F223 F244 I246 I259 E261 Q262 I268 V271 W273 Q289 F291	F223-L264 HydrophobicContact CE1-CD2 4.45Å; F223-L264 HydrophobicContact CZ-CD2 3.87Å; F244-L264 HydrophobicContact CD1-CD1 4.38Å; F244-L264 HydrophobicContact CE1-CD1 4.4Å; F244-L264 HydrophobicContact CE1-CD2 4.03Å; I246-L264 HydrophobicContact CD1-CD1 4.03Å; I259-L264 HydrophobicContact CG2-CD2 4.42Å; E261-L264 PolarHBondContact O-N 2.95Å; Q262-L264 VanDerWaalsContact C-N 3.33Å; L264-I268 HydrophobicContact CB-CD1 4.27Å; L264-V271 HydrophobicContact CD1-CG1 4.06Å; L264-V271 HydrophobicContact CD1-CG2 3.99Å; L264-W273 HydrophobicContact CD1-CZ3 4.1Å; L264-Q289 PolarHBondContact O-NE2 2.91Å; L264-F291 HydrophobicContact CB-CE1 3.89Å; L264-F291 HydrophobicContact CB-CZ 4.04Å; L264-F291 HydrophobicContact CD1-CZ 4.24Å
265	D	91	Very high	93	Very high	66 Å²	66	33.8 Å²	33.8	35%	0.353	18%	0.178	S	C	.	.			trans	-66	149.5	-176.5	-71.6	-53.2	0	0	0	113.4	M230 F267 I268	M230-D265 WeakPolarHBondContact CG-OD2 3.47Å; D265-F267 VanDerWaalsContact C-N 3.34Å; D265-F267 HydrophobicContact CB-CD1 3.56Å; D265-F267 HydrophobicContact CB-CE1 3.45Å; D265-F267 VanDerWaalsContact CB-CE1 3.45Å; D265-F267 HydrophobicContact CB-CZ 4.5Å; D265-F267 PolarHBondContact O-N 2.76Å; D265-I268 WeakPolarHBondContact O-CG1 3.35Å
266	D	91.9	Very high	93.7	Very high	118 Å²	118	30.3 Å²	30.3	63%	0.631	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-17.4	-174.2	68.9	-18.5	0	0	0	114.6	I268	D266-I268 VanDerWaalsContact C-N 3.27Å; D266-I268 PolarHBondContact O-N 3.09Å
267	F	92.8	Very high	94	Very high	26 Å²	26	29.5 Å²	29.5	11%	0.114	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.2	-179.3	77.6	-95.3	0	0	0	113.8	Y209 M230 R232 N242 D265	Y209-F267 HydrophobicContact CE1-CE2 4.31Å; Y209-F267 HydrophobicContact CE1-CZ 4.19Å; Y209-F267 AromaticContact CE2-CE2 3.98Å; Y209-F267 HydrophobicContact CE2-CE2 3.98Å; Y209-F267 AromaticContact CZ-CE2 3.65Å; Y209-F267 AromaticContact CZ-CZ 3.99Å; Y209-F267 WeakPolarHBondContact OH-CE2 3.49Å; M230-F267 HydrophobicContact CB-CE1 4.07Å; M230-F267 HydrophobicContact CB-CZ 3.82Å; M230-F267 HydrophobicContact SD-CZ 4.15Å; R232-F267 HydrophobicContact CG-CD1 4.31Å; R232-F267 HydrophobicContact CG-CD2 4.26Å; R232-F267 HydrophobicContact CG-CE1 4.03Å; R232-F267 HydrophobicContact CG-CE2 4Å; R232-F267 HydrophobicContact CG-CG 4.44Å; R232-F267 HydrophobicContact CG-CZ 3.88Å; N242-F267 HydrophobicContact CB-CD2 4.15Å; N242-F267 HydrophobicContact CB-CE2 4.22Å; N242-F267 PolarHBondContact ND2-O 3.46Å; D265-F267 VanDerWaalsContact C-N 3.34Å; D265-F267 HydrophobicContact CB-CD1 3.56Å; D265-F267 HydrophobicContact CB-CE1 3.45Å; D265-F267 VanDerWaalsContact CB-CE1 3.45Å; D265-F267 HydrophobicContact CB-CZ 4.5Å; D265-F267 PolarHBondContact O-N 2.76Å
268	I	95.3	Very high	94.2	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	15%	0.15	C	C	.	.			trans	-69.2	138.1	-179.9	-57	171.7	0	0	0	109.2	M230 F244 L264 D265 D266 V271 F291	M230-I268 HydrophobicContact CE-CD1 3.96Å; M230-I268 HydrophobicContact SD-CD1 3.97Å; F244-I268 HydrophobicContact CB-CD1 4.26Å; F244-I268 HydrophobicContact CB-CG2 4.05Å; F244-I268 HydrophobicContact CD1-CD1 3.8Å; F244-I268 HydrophobicContact CG-CD1 4.34Å; L264-I268 HydrophobicContact CB-CD1 4.27Å; D265-I268 WeakPolarHBondContact O-CG1 3.35Å; D266-I268 VanDerWaalsContact C-N 3.27Å; D266-I268 PolarHBondContact O-N 3.09Å; I268-V271 HydrophobicContact CG2-CG2 3.85Å; I268-F291 HydrophobicContact CB-CD1 4.35Å; I268-F291 WeakPolarHBondContact O-CB 3.41Å
269	D	95.6	Very high	94.3	Very high	28 Å²	28	30.4 Å²	30.4	15%	0.15	15%	0.151	C	C	.	.	S	Bend	trans	-93.9	-37.5	177.4	-63.5	-80.2	0	0	0	111.4	F241 N242 Y292 R322	F241-D269 WeakPolarHBondContact CA-OD2 3.46Å; F241-D269 HydrophobicContact CD2-CB 3.63Å; F241-D269 HydrophobicContact CE1-CB 4.5Å; F241-D269 HydrophobicContact CE2-CB 3.43Å; F241-D269 VanDerWaalsContact CE2-CB 3.43Å; F241-D269 HydrophobicContact CG-CB 4.27Å; F241-D269 HydrophobicContact CZ-CB 3.92Å; N242-D269 PolarHBondContact N-OD2 2.89Å; N242-D269 PolarHBondContact ND2-OD2 3.14Å; N242-D269 PolarHBondContact O-N 2.88Å; D269-Y292 PolarHBondContact O-N 2.84Å; D269-R322 IonicContact OD1-CZ 3.6Å; D269-R322 IonicContact OD1-NE 3.83Å; D269-R322 IonicContact OD1-NH2 3.57Å; D269-R322 PolarHBondContact OD1-NH2 3.31Å; D269-R322 IonicContact OD2-CZ 2.7Å; D269-R322 IonicContact OD2-NE 2.76Å; D269-R322 IonicContact OD2-NH2 3.97Å
270	L	97.1	Very high	94.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	130	179.5	176.8	61.8	0	0	0	112.3	F241 N242 L243 F244 P283 Y292 T294 L317	F241-L270 HydrophobicContact CE1-CB 4.07Å; F241-L270 HydrophobicContact CZ-CB 3.69Å; F241-L270 HydrophobicContact CZ-CD2 4.27Å; N242-L270 PolarHBondContact O-N 3.04Å; N242-L270 VanDerWaalsContact O-N 3.14Å; L243-L270 WeakPolarHBondContact CA-O 3.34Å; L243-L270 HydrophobicContact CD1-CB 4.03Å; L243-L270 HydrophobicContact CD1-CD2 3.88Å; L243-L270 HydrophobicContact CD1-CG 3.85Å; F244-L270 PolarHBondContact N-O 2.56Å; L270-P283 HydrophobicContact CD1-CB 4.46Å; L270-Y292 CarbonylContact C-O 3.59Å; L270-Y292 WeakPolarHBondContact CA-O 3.49Å; L270-T294 HydrophobicContact CD1-CG2 4Å; L270-L317 HydrophobicContact CD2-CD1 3.74Å; L270-L317 HydrophobicContact CD2-CD2 3.73Å; L270-L317 HydrophobicContact CD2-CG 4.42Å
271	V	97.5	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129	172.2	-177.6	0	0	0	0	109.8	F244 I246 L264 I268 W273 F291 Y292 V293 T294	F244-V271 CarbonylContact O-C 3.52Å; F244-V271 WeakPolarHBondContact O-CA 3.42Å; I246-V271 HydrophobicContact CD1-CG1 4.12Å; I246-V271 HydrophobicContact CG1-CG1 4.22Å; L264-V271 HydrophobicContact CD1-CG1 4.06Å; L264-V271 HydrophobicContact CD1-CG2 3.99Å; I268-V271 HydrophobicContact CG2-CG2 3.85Å; V271-W273 HydrophobicContact CG1-CE3 4Å; V271-W273 HydrophobicContact CG1-CZ3 4.49Å; V271-F291 HydrophobicContact CG2-CD2 4.04Å; V271-F291 HydrophobicContact CG2-CE2 4.04Å; V271-F291 HydrophobicContact CG2-CG 4.35Å; V271-F291 HydrophobicContact CG2-CZ 4.3Å; V271-Y292 PolarHBondContact N-O 2.99Å; V271-V293 HydrophobicContact CB-CG2 4.41Å; V271-V293 WeakPolarHBondContact O-CA 3.45Å; V271-T294 PolarHBondContact O-N 2.78Å
272	V	97.6	Very high	94.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.8	169.6	-178	0	0	0	0	107.9	I47 L86 L243 F244 A245 I246 T294 P296	I47-V272 HydrophobicContact CD1-CG2 3.88Å; I47-V272 HydrophobicContact CG2-CG1 3.71Å; I47-V272 HydrophobicContact CG2-CG2 4.42Å; L86-V272 HydrophobicContact CD2-CG2 4.23Å; L243-V272 HydrophobicContact CD1-CG2 3.85Å; F244-V272 PolarHBondContact O-N 3.43Å; A245-V272 HydrophobicContact CB-CB 4.47Å; I246-V272 PolarHBondContact N-O 3.22Å; V272-T294 HydrophobicContact CB-CG2 4.31Å; V272-T294 HydrophobicContact CG1-CG2 4.49Å; V272-T294 HydrophobicContact CG2-CG2 3.88Å; V272-P296 HydrophobicContact CG1-CG 4.36Å
273	W	97.2	Very high	94.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117	-179.4	-144.2	-63.9	0	0	0	109.5	I246 Q248 R250 I259 E261 L264 V271 V293 T294 Q295 P296	I246-W273 HydrophobicContact CD1-CD2 3.84Å; I246-W273 HydrophobicContact CD1-CE3 3.8Å; I246-W273 HydrophobicContact CD1-CH2 3.9Å; I246-W273 HydrophobicContact CD1-CZ2 3.93Å; I246-W273 HydrophobicContact CD1-CZ3 3.83Å; I246-W273 HydrophobicContact CG1-CD2 4.14Å; I246-W273 HydrophobicContact CG1-CE3 4.41Å; I246-W273 HydrophobicContact CG1-CG 4.36Å; Q248-W273 PolarHBondContact O-NE1 3.19Å; R250-W273 HydrophobicContact CB-CD2 4.3Å; R250-W273 HydrophobicContact CB-CZ2 3.79Å; R250-W273 HydrophobicContact CG-CD2 4.16Å; R250-W273 HydrophobicContact CG-CE3 4.45Å; R250-W273 HydrophobicContact CG-CH2 4.16Å; R250-W273 HydrophobicContact CG-CZ2 3.83Å; R250-W273 HydrophobicContact CG-CZ3 4.47Å; I259-W273 HydrophobicContact CB-CZ2 4.36Å; I259-W273 WeakPolarHBondContact O-CH2 3.23Å; E261-W273 HydrophobicContact CG-CH2 4.16Å; E261-W273 HydrophobicContact CG-CZ3 3.86Å; L264-W273 HydrophobicContact CD1-CZ3 4.1Å; V271-W273 HydrophobicContact CG1-CE3 4Å; V271-W273 HydrophobicContact CG1-CZ3 4.49Å; W273-V293 HydrophobicContact CB-CG1 4.32Å; W273-V293 HydrophobicContact CE3-CG1 3.88Å; W273-T294 PolarHBondContact N-O 2.82Å; W273-Q295 HydrophobicContact CB-CB 4.28Å; W273-P296 VanDerWaalsContact O-CD 3.27Å; W273-P296 WeakPolarHBondContact O-CD 3.14Å
274	G	94.3	Very high	94.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.			trans	-79.2	-94	-174.5	0	0	0	0	0	113.5	T49 D50 I246 E276	T49-G274 WeakPolarHBondContact OG1-CA 3.26Å; D50-G274 VanDerWaalsContact OD2-C 3.23Å; I246-G274 PolarHBondContact O-N 2.86Å; G274-E276 PolarHBondContact O-N 3.1Å
275	H	94.6	Very high	94.9	Very high	41 Å²	41	40.9 Å²	40.9	19%	0.19	20%	0.201	C	C	.	.	S	Bend	trans	-15.6	-31.3	177.8	-162.6	67.1	0	0	0	120.6	D50 N158 H247 Q248 N249 H277	D50-H275 WeakPolarHBondContact OD1-CA 3.31Å; D50-H275 PolarHBondContact OD1-N 3.14Å; D50-H275 PolarHBondContact OD2-N 2.81Å; N158-H275 PolarHBondContact OD1-CE1 3.06Å; N158-H275 PolarHBondContact OD1-ND1 3.24Å; H247-H275 AromaticContact CD2-CG 3.92Å; H247-H275 AromaticContact CD2-ND1 3.54Å; H247-H275 VanDerWaalsContact CE1-CA 3.48Å; H247-H275 WeakPolarHBondContact CE1-CA 3.47Å; H247-H275 PolarHBondContact CE1-N 3.1Å; H247-H275 AromaticContact CE1-ND1 3.99Å; H247-H275 PolarHBondContact ND1-N 3.41Å; H247-H275 AromaticContact NE2-CG 3.67Å; H247-H275 AromaticContact NE2-ND1 3.04Å; H247-H275 PolarHBondContact NE2-ND1 3.45Å; Q248-H275 WeakPolarHBondContact O-CB 3.3Å; N249-H275 PolarHBondContact ND2-NE2 3.01Å; N249-H275 PolarHBondContact OD1-NE2 3.48Å; H275-H277 PolarHBondContact O-CD2 3.04Å; H275-H277 PolarHBondContact O-N 3.48Å
276	E	94.2	Very high	94.9	Very high	30 Å²	30	38.5 Å²	38.5	14%	0.14	19%	0.188	C	C	.	.			trans	-84.8	96.4	-175.5	-73.6	-80.9	-172	0	0	110.6	R250 S251 G274 E278 Q295	R250-E276 WeakPolarHBondContact CA-OE1 3.24Å; R250-E276 HydrophobicContact CB-CG 3.66Å; R250-E276 WeakPolarHBondContact CB-OE1 3.49Å; R250-E276 PolarHBondContact N-OE1 3.18Å; S251-E276 WeakPolarHBondContact CB-OE1 3.45Å; S251-E276 PolarHBondContact N-OE1 3.49Å; G274-E276 PolarHBondContact O-N 3.1Å; E276-E278 PolarHBondContact O-N 2.96Å; E276-Q295 VanDerWaalsContact CB-CD 3.4Å; E276-Q295 HydrophobicContact CB-CG 3.84Å; E276-Q295 PolarHBondContact O-NE2 3.3Å
277	H	95.1	Very high	94.7	Very high	31 Å²	31	41.8 Å²	41.8	14%	0.144	20%	0.2	C	C	.	.			trans	-58.7	-13.8	-172	-73.2	-169.7	0	0	0	116.5	D50 H52 H275 G297 S298 T302 E308 K312	D50-H277 IonicContact OD1-CD2 3.67Å; D50-H277 PolarHBondContact OD1-CD2 3.42Å; D50-H277 VanDerWaalsContact OD1-CD2 3.25Å; D50-H277 IonicContact OD1-NE2 3.61Å; D50-H277 PolarHBondContact OD1-NE2 3.38Å; H52-H277 AromaticContact CD2-CE1 3.92Å; H52-H277 AromaticContact CD2-NE2 3.73Å; H52-H277 AromaticContact NE2-CE1 3.42Å; H52-H277 PolarHBondContact NE2-CE1 3.18Å; H52-H277 AromaticContact NE2-NE2 3.05Å; H52-H277 PolarHBondContact NE2-NE2 3.25Å; H275-H277 PolarHBondContact O-CD2 3.04Å; H275-H277 PolarHBondContact O-N 3.48Å; H277-G297 WeakPolarHBondContact O-CA 3.49Å; H277-S298 PolarHBondContact O-N 3.09Å; H277-T302 PolarHBondContact CE1-OG1 2.7Å; H277-T302 PolarHBondContact ND1-OG1 3.07Å; H277-E308 HydrophobicContact CB-CG 3.66Å; H277-E308 IonicContact CG-OE1 2.78Å; H277-E308 IonicContact ND1-OE1 2.61Å; H277-E308 PolarHBondContact ND1-OE1 2.72Å; H277-E308 IonicContact ND1-OE2 2.73Å; H277-K312 PolarHBondContact O-NZ 3Å
278	E	95.6	Very high	94.4	Very high	74 Å²	74	46.7 Å²	46.7	35%	0.346	22%	0.223	S	C	.	.	S	Bend	trans	-69.4	131.6	174.5	-171.7	-169.5	177.5	0	0	111.5	E276 L280 Q295 T310	E276-E278 PolarHBondContact O-N 2.96Å; E278-L280 HydrophobicContact CG-CD1 4.5Å; E278-L280 HydrophobicContact CG-CD2 4.39Å; E278-L280 HydrophobicContact CG-CG 4.02Å; E278-L280 PolarHBondContact O-N 2.84Å; E278-Q295 PolarHBondContact O-NE2 2.81Å; E278-T310 HydrophobicContact CG-CG2 3.9Å
279	C	96.3	Very high	94	Very high	17 Å²	17	48.7 Å²	48.7	12%	0.115	23%	0.232	C	C	.	.			trans	-80.8	79.8	-176	179.9	0	0	0	0	112.7	P296 T310 K311 K312 H313	C279-P296 WeakPolarHBondContact CA-O 3.39Å; C279-P296 PolarHBondContact SG-O 2.9Å; C279-P296 VanDerWaalsContact SG-O 3.34Å; C279-T310 WeakPolarHBondContact CB-OG1 3.35Å; C279-T310 PolarHBondContact N-OG1 3.33Å; C279-K311 PolarHBondContact SG-O 2.81Å; C279-K311 VanDerWaalsContact SG-O 3.33Å; C279-K312 HydrophobicContact CB-CD 4.17Å; C279-H313 PolarHBondContact SG-ND1 3.05Å; C279-H313 VanDerWaalsContact SG-ND1 3.35Å
280	L	95.4	Very high	93.7	Very high	45 Å²	45	51.9 Å²	51.9	24%	0.236	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	46.2	176.3	-63.4	-178.8	0	0	0	112.6	E278 T282 Q295	E278-L280 HydrophobicContact CG-CD1 4.5Å; E278-L280 HydrophobicContact CG-CD2 4.39Å; E278-L280 HydrophobicContact CG-CG 4.02Å; E278-L280 PolarHBondContact O-N 2.84Å; L280-T282 VanDerWaalsContact C-N 3.29Å; L280-T282 PolarHBondContact O-N 2.86Å; L280-Q295 CarbonylContact C-O 3.56Å; L280-Q295 WeakPolarHBondContact CA-O 3.37Å; L280-Q295 HydrophobicContact CB-CB 4.16Å; L280-Q295 PolarHBondContact N-O 3.24Å; L280-Q295 PolarHBondContact O-N 3.06Å
281	I	94.1	Very high	93.6	Very high	4 Å²	4	52 Å²	52	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-11.4	-168.2	-158.8	160.3	0	0	0	116.1	P283 T294 Q295 P296 H313 K328	I281-P283 WeakPolarHBondContact O-CD 3.42Å; I281-T294 PolarHBondContact O-OG1 3.27Å; I281-T294 VanDerWaalsContact O-OG1 3.13Å; I281-Q295 WeakPolarHBondContact CA-O 3.34Å; I281-Q295 PolarHBondContact N-O 3.4Å; I281-Q295 VanDerWaalsContact N-O 3.1Å; I281-P296 HydrophobicContact CD1-CB 3.91Å; I281-P296 HydrophobicContact CG1-CB 4.28Å; I281-H313 HydrophobicContact CD1-CB 3.98Å; I281-H313 WeakPolarHBondContact CD1-O 3.49Å; I281-H313 HydrophobicContact CG2-CB 3.96Å; I281-K328 HydrophobicContact CG2-CB 3.68Å; I281-K328 HydrophobicContact CG2-CD 4Å
282	T	95.3	Very high	93.5	Very high	88 Å²	88	56.3 Å²	56.3	54%	0.54	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	117.3	173.6	-57.3	0	0	0	0	108.4	L280 K284	L280-T282 VanDerWaalsContact C-N 3.29Å; L280-T282 PolarHBondContact O-N 2.86Å; T282-K284 PolarHBondContact O-N 2.7Å; T282-K284 VanDerWaalsContact O-N 3.15Å
283	P	94.6	Very high	93.5	Very high	27 Å²	27	56.4 Å²	56.4	18%	0.175	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	120	-172	-22.4	32.4	0	0	0	112.2	L270 I281 Y292 V293 M324 M326	L270-P283 HydrophobicContact CD1-CB 4.46Å; I281-P283 WeakPolarHBondContact O-CD 3.42Å; P283-Y292 HydrophobicContact CB-CD1 4.21Å; P283-V293 WeakPolarHBondContact CA-O 3.48Å; P283-M324 HydrophobicContact CB-CE 4.06Å; P283-M324 HydrophobicContact CG-CE 4.37Å; P283-M326 HydrophobicContact CG-CB 3.52Å; P283-M326 HydrophobicContact CG-CE 4.27Å; P283-M326 HydrophobicContact CG-CG 3.93Å
284	K	93.9	Very high	93.5	Very high	116 Å²	116	56.4 Å²	56.4	50%	0.504	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.7	175.3	-65.9	178.8	-176.1	173	0	108.7	T282 Y292 V293	T282-K284 PolarHBondContact O-N 2.7Å; T282-K284 VanDerWaalsContact O-N 3.15Å; K284-Y292 CarbonylContact O-C 3.57Å; K284-Y292 WeakPolarHBondContact O-CA 3.41Å; K284-V293 PolarHBondContact N-O 3.35Å; K284-V293 PolarHBondContact O-N 2.96Å
285	R	93.6	Very high	93.6	Very high	144 Å²	144	56.6 Å²	56.6	54%	0.543	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.9	177.1	-161.3	-176.8	-174.4	-162.3	1.1	110.2	L290 F291 Y292	R285-L290 WeakPolarHBondContact CG-O 3.44Å; R285-L290 PolarHBondContact NE-O 3.35Å; R285-L290 PolarHBondContact NH2-O 3.42Å; R285-F291 CarbonylContact C-O 3.6Å; R285-F291 WeakPolarHBondContact CA-O 3.29Å; R285-F291 WeakPolarHBondContact CG-O 3.46Å; R285-Y292 HydrophobicContact CB-CD1 3.95Å; R285-Y292 HydrophobicContact CB-CE1 3.81Å; R285-Y292 HydrophobicContact CG-CD1 4.28Å; R285-Y292 HydrophobicContact CG-CE1 4.07Å
286	N	90.9	Very high	93.6	Very high	16 Å²	16	54.7 Å²	54.7	9%	0.086	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-75.5	133	169.4	-174.7	-68.4	0	0	0	109.4	E261 Q288 Q289 L290 F291	E261-N286 WeakPolarHBondContact CB-ND2 3.31Å; E261-N286 PolarHBondContact OE2-ND2 3.05Å; N286-Q288 VanDerWaalsContact C-N 3.35Å; N286-Q288 WeakPolarHBondContact OD1-CA 3.42Å; N286-Q288 PolarHBondContact OD1-N 2.55Å; N286-Q289 PolarHBondContact OD1-N 3.31Å; N286-L290 WeakPolarHBondContact O-CA 3.46Å; N286-L290 PolarHBondContact O-N 3.14Å; N286-L290 VanDerWaalsContact O-N 3.14Å; N286-F291 HydrophobicContact CB-CD2 4.01Å; N286-F291 HydrophobicContact CB-CE2 3.92Å; N286-F291 PolarHBondContact N-O 2.97Å
287	E	88.8	Confident	93.5	Very high	186 Å²	186	53.5 Å²	53.5	87%	0.869	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-22	-176.8	-63.2	-170.7	157.1	0	0	113.8
288	Q	85.6	Confident	93.6	Very high	129 Å²	129	52 Å²	52	60%	0.603	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-54.9	-175.1	-65.4	178.5	-37.7	0	0	111.5	N286 L290	N286-Q288 VanDerWaalsContact C-N 3.35Å; N286-Q288 WeakPolarHBondContact OD1-CA 3.42Å; N286-Q288 PolarHBondContact OD1-N 2.55Å; Q288-L290 VanDerWaalsContact C-N 3.35Å
289	Q	85.8	Confident	93.6	Very high	46 Å²	46	48.6 Å²	48.6	22%	0.215	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-2.1	179	-60.5	-63.8	46.4	0	0	113.8	Q262 L264 N286 F291	Q262-Q289 PolarHBondContact O-NE2 3.45Å; L264-Q289 PolarHBondContact O-NE2 2.91Å; N286-Q289 PolarHBondContact OD1-N 3.31Å; Q289-F291 HydrophobicContact CB-CD1 3.5Å; Q289-F291 VanDerWaalsContact CB-CD1 3.5Å; Q289-F291 HydrophobicContact CB-CE1 3.28Å; Q289-F291 HydrophobicContact CB-CG 4.24Å; Q289-F291 HydrophobicContact CB-CZ 3.85Å; Q289-F291 HydrophobicContact CG-CD1 4.44Å; Q289-F291 HydrophobicContact CG-CE1 3.77Å; Q289-F291 HydrophobicContact CG-CZ 4.2Å; Q289-F291 PolarHBondContact O-N 2.96Å
290	L	90.9	Very high	93.6	Very high	95 Å²	95	48 Å²	48	50%	0.497	23%	0.228	S	C	.	.			trans	61.8	-10.9	173.4	-57.9	-176.8	0	0	0	117.4	R285 N286 Q288	R285-L290 WeakPolarHBondContact CG-O 3.44Å; R285-L290 PolarHBondContact NE-O 3.35Å; R285-L290 PolarHBondContact NH2-O 3.42Å; N286-L290 WeakPolarHBondContact O-CA 3.46Å; N286-L290 PolarHBondContact O-N 3.14Å; N286-L290 VanDerWaalsContact O-N 3.14Å; Q288-L290 VanDerWaalsContact C-N 3.35Å
291	F	94.3	Very high	93.5	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.018	22%	0.22	C	C	.	.			trans	-69	168.5	173.3	61	-125.5	0	0	0	113	E261 L264 I268 V271 R285 N286 Q289 V293	E261-F291 HydrophobicContact CB-CZ 4.36Å; E261-F291 WeakPolarHBondContact O-CZ 3.26Å; L264-F291 HydrophobicContact CB-CE1 3.89Å; L264-F291 HydrophobicContact CB-CZ 4.04Å; L264-F291 HydrophobicContact CD1-CZ 4.24Å; I268-F291 HydrophobicContact CB-CD1 4.35Å; I268-F291 WeakPolarHBondContact O-CB 3.41Å; V271-F291 HydrophobicContact CG2-CD2 4.04Å; V271-F291 HydrophobicContact CG2-CE2 4.04Å; V271-F291 HydrophobicContact CG2-CG 4.35Å; V271-F291 HydrophobicContact CG2-CZ 4.3Å; R285-F291 CarbonylContact C-O 3.6Å; R285-F291 WeakPolarHBondContact CA-O 3.29Å; R285-F291 WeakPolarHBondContact CG-O 3.46Å; N286-F291 HydrophobicContact CB-CD2 4.01Å; N286-F291 HydrophobicContact CB-CE2 3.92Å; N286-F291 PolarHBondContact N-O 2.97Å; Q289-F291 HydrophobicContact CB-CD1 3.5Å; Q289-F291 VanDerWaalsContact CB-CD1 3.5Å; Q289-F291 HydrophobicContact CB-CE1 3.28Å; Q289-F291 HydrophobicContact CB-CG 4.24Å; Q289-F291 HydrophobicContact CB-CZ 3.85Å; Q289-F291 HydrophobicContact CG-CD1 4.44Å; Q289-F291 HydrophobicContact CG-CE1 3.77Å; Q289-F291 HydrophobicContact CG-CZ 4.2Å; Q289-F291 PolarHBondContact O-N 2.96Å; F291-V293 HydrophobicContact CD2-CG2 3.88Å; F291-V293 HydrophobicContact CE2-CG2 3.55Å
292	Y	96.4	Very high	93.5	Very high	90 Å²	90	47.6 Å²	47.6	35%	0.353	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	141.5	172.3	-65.2	-93.5	0	0	0	111	D269 L270 V271 P283 K284 R285 M324	D269-Y292 PolarHBondContact O-N 2.84Å; L270-Y292 CarbonylContact C-O 3.59Å; L270-Y292 WeakPolarHBondContact CA-O 3.49Å; V271-Y292 PolarHBondContact N-O 2.99Å; P283-Y292 HydrophobicContact CB-CD1 4.21Å; K284-Y292 CarbonylContact O-C 3.57Å; K284-Y292 WeakPolarHBondContact O-CA 3.41Å; R285-Y292 HydrophobicContact CB-CD1 3.95Å; R285-Y292 HydrophobicContact CB-CE1 3.81Å; R285-Y292 HydrophobicContact CG-CD1 4.28Å; R285-Y292 HydrophobicContact CG-CE1 4.07Å; Y292-M324 HydrophobicContact CD1-CE 3.7Å; Y292-M324 HydrophobicContact CD2-CE 3.54Å; Y292-M324 HydrophobicContact CE1-CE 4.17Å; Y292-M324 HydrophobicContact CE2-CE 4.04Å; Y292-M324 HydrophobicContact CG-CE 3.35Å
293	V	96.6	Very high	93.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.1	169.8	-174.3	0	0	0	0	109.1	V271 W273 P283 K284 F291	V271-V293 HydrophobicContact CB-CG2 4.41Å; V271-V293 WeakPolarHBondContact O-CA 3.45Å; W273-V293 HydrophobicContact CB-CG1 4.32Å; W273-V293 HydrophobicContact CE3-CG1 3.88Å; P283-V293 WeakPolarHBondContact CA-O 3.48Å; K284-V293 PolarHBondContact N-O 3.35Å; K284-V293 PolarHBondContact O-N 2.96Å; F291-V293 HydrophobicContact CD2-CG2 3.88Å; F291-V293 HydrophobicContact CE2-CG2 3.55Å
294	T	96.9	Very high	93.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.2	166	-174.2	0	0	0	0	109.7	L270 V271 V272 W273 I281 M326	L270-T294 HydrophobicContact CD1-CG2 4Å; V271-T294 PolarHBondContact O-N 2.78Å; V272-T294 HydrophobicContact CB-CG2 4.31Å; V272-T294 HydrophobicContact CG1-CG2 4.49Å; V272-T294 HydrophobicContact CG2-CG2 3.88Å; W273-T294 PolarHBondContact N-O 2.82Å; I281-T294 PolarHBondContact O-OG1 3.27Å; I281-T294 VanDerWaalsContact O-OG1 3.13Å; T294-M326 HydrophobicContact CG2-CE 3.97Å
295	Q	96.4	Very high	93.2	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	95.8	179.2	175.5	-171	-45.4	0	0	106.7	W273 E276 E278 L280 I281 G297	W273-Q295 HydrophobicContact CB-CB 4.28Å; E276-Q295 VanDerWaalsContact CB-CD 3.4Å; E276-Q295 HydrophobicContact CB-CG 3.84Å; E276-Q295 PolarHBondContact O-NE2 3.3Å; E278-Q295 PolarHBondContact O-NE2 2.81Å; L280-Q295 CarbonylContact C-O 3.56Å; L280-Q295 WeakPolarHBondContact CA-O 3.37Å; L280-Q295 HydrophobicContact CB-CB 4.16Å; L280-Q295 PolarHBondContact N-O 3.24Å; L280-Q295 PolarHBondContact O-N 3.06Å; I281-Q295 WeakPolarHBondContact CA-O 3.34Å; I281-Q295 PolarHBondContact N-O 3.4Å; I281-Q295 VanDerWaalsContact N-O 3.1Å; Q295-G297 VanDerWaalsContact C-N 3.26Å; Q295-G297 PolarHBondContact O-N 3.22Å
296	P	94.4	Very high	93	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	20%	0.203	C	C	.	.			trans	-62.8	-33.4	-172.1	-21.7	32.8	0	0	0	113.1	I47 T49 V272 W273 C279 I281	I47-P296 HydrophobicContact CG2-CG 3.85Å; T49-P296 HydrophobicContact CG2-CB 4.05Å; T49-P296 HydrophobicContact CG2-CG 4.23Å; V272-P296 HydrophobicContact CG1-CG 4.36Å; W273-P296 VanDerWaalsContact O-CD 3.27Å; W273-P296 WeakPolarHBondContact O-CD 3.14Å; C279-P296 WeakPolarHBondContact CA-O 3.39Å; C279-P296 PolarHBondContact SG-O 2.9Å; C279-P296 VanDerWaalsContact SG-O 3.34Å; I281-P296 HydrophobicContact CD1-CB 3.91Å; I281-P296 HydrophobicContact CG1-CB 4.28Å
297	G	93.3	Very high	93	Very high	4 Å²	4	39 Å²	39	4%	0.041	21%	0.208	C	C	.	.			trans	76.9	161.3	-171.2	0	0	0	0	0	112.5	H277 Q295	H277-G297 WeakPolarHBondContact O-CA 3.49Å; Q295-G297 VanDerWaalsContact C-N 3.26Å; Q295-G297 PolarHBondContact O-N 3.22Å
298	S	96.4	Very high	93.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-69.5	147.5	-174.1	65.2	0	0	0	0	113.4	D50 H277 V300 K312	D50-S298 CarbonylContact O-C 3.38Å; D50-S298 VanDerWaalsContact O-CA 3.26Å; D50-S298 WeakPolarHBondContact O-CA 3.24Å; D50-S298 WeakPolarHBondContact O-CB 3.43Å; H277-S298 PolarHBondContact O-N 3.09Å; S298-V300 VanDerWaalsContact C-N 3.3Å; S298-V300 PolarHBondContact O-N 3.13Å; S298-V300 PolarHBondContact OG-O 3.5Å; S298-K312 WeakPolarHBondContact O-CD 3.29Å; S298-K312 WeakPolarHBondContact O-CE 3.39Å; S298-K312 VanDerWaalsContact O-CG 3.29Å; S298-K312 WeakPolarHBondContact O-CG 3.44Å; S298-K312 PolarHBondContact O-NZ 3Å; S298-K312 PolarHBondContact OG-NZ 3.35Å
299	S	95.4	Very high	93.5	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.014	15%	0.153	C	C	.	.	S	Bend	trans	-73.9	-21.7	178.8	89.5	0	0	0	0	113.3	D50 I51 V334	D50-S299 PolarHBondContact O-N 3.23Å; I51-S299 WeakPolarHBondContact CA-OG 3.37Å; I51-S299 PolarHBondContact O-OG 2.84Å; S299-V334 WeakPolarHBondContact O-CG2 3.47Å
300	V	95.6	Very high	93.9	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.036	16%	0.155	C	C	.	.	S	Bend	trans	-128.6	145	179.6	176.7	0	0	0	0	110.4	Y55 S298 T302	Y55-V300 HydrophobicContact CD1-CG1 3.92Å; Y55-V300 HydrophobicContact CE1-CG1 4.32Å; S298-V300 VanDerWaalsContact C-N 3.3Å; S298-V300 PolarHBondContact O-N 3.13Å; S298-V300 PolarHBondContact OG-O 3.5Å; V300-T302 PolarHBondContact O-N 2.88Å
301	A	94.8	Very high	94	Very high	7 Å²	7	26.9 Å²	26.9	6%	0.058	16%	0.156	C	C	.	.			trans	-75.7	104	171.6	0	0	0	0	0	110.6	R62 E308 F337 L392	R62-A301 PolarHBondContact NH2-O 3.18Å; A301-E308 VanDerWaalsContact C-OE2 3.24Å; A301-E308 WeakPolarHBondContact CA-OE2 3.47Å; A301-F337 HydrophobicContact CB-CD1 4.32Å; A301-L392 HydrophobicContact CB-CD1 4.05Å
302	T	93.7	Very high	94.1	Very high	32 Å²	32	27.1 Å²	27.1	20%	0.196	16%	0.157	C	C	.	.			trans	-88.5	-30.5	175	70.5	0	0	0	0	112.3	H52 Y55 H277 V300 E308	H52-T302 HydrophobicContact CB-CG2 4.04Å; Y55-T302 HydrophobicContact CD2-CG2 3.9Å; Y55-T302 HydrophobicContact CE2-CG2 4.04Å; Y55-T302 HydrophobicContact CG-CG2 4.21Å; Y55-T302 WeakPolarHBondContact OH-CA 3.48Å; Y55-T302 PolarHBondContact OH-O 2.86Å; H277-T302 PolarHBondContact CE1-OG1 2.7Å; H277-T302 PolarHBondContact ND1-OG1 3.07Å; V300-T302 PolarHBondContact O-N 2.88Å; T302-E308 PolarHBondContact N-OE2 3.02Å
303	S	92.1	Very high	94.2	Very high	48 Å²	48	24.1 Å²	24.1	34%	0.336	15%	0.146	S	C	.	.	S	Bend	trans	-122.2	148.1	177.9	85	0	0	0	0	112.5	S305 E308	S303-S305 PolarHBondContact O-N 3.31Å; S303-S305 WeakPolarHBondContact OG-CB 3.32Å; S303-S305 PolarHBondContact OG-OG 3.43Å; S303-E308 VanDerWaalsContact CB-OE1 3.29Å; S303-E308 WeakPolarHBondContact CB-OE1 3.12Å; S303-E308 PolarHBondContact N-OE1 2.95Å; S303-E308 PolarHBondContact N-OE2 3.25Å; S303-E308 VanDerWaalsContact OG-CD 3.23Å; S303-E308 PolarHBondContact OG-OE1 2.73Å
304	L	92.6	Very high	94.2	Very high	43 Å²	43	24 Å²	24	23%	0.225	15%	0.145	C	C	.	.			trans	-87.5	57.5	177.7	-61.4	176.2	0	0	0	111	F337 L392 R394 N421 D424	L304-F337 VanDerWaalsContact CA-CZ 3.47Å; L304-F337 HydrophobicContact CB-CE2 4.39Å; L304-F337 HydrophobicContact CB-CZ 3.9Å; L304-F337 HydrophobicContact CD2-CD2 4.09Å; L304-F337 HydrophobicContact CD2-CE1 4.27Å; L304-F337 HydrophobicContact CD2-CE2 3.69Å; L304-F337 HydrophobicContact CD2-CZ 3.8Å; L304-F337 HydrophobicContact CG-CZ 4.47Å; L304-L392 HydrophobicContact CD2-CB 4.38Å; L304-R394 HydrophobicContact CB-CB 4.3Å; L304-R394 HydrophobicContact CB-CG 4.11Å; L304-N421 WeakPolarHBondContact CD1-ND2 3.39Å; L304-D424 HydrophobicContact CD1-CB 3.88Å
305	S	91.9	Very high	94.2	Very high	35 Å²	35	24 Å²	24	25%	0.245	15%	0.145	C	C	.	.			trans	-107.4	157.6	-176.1	68.1	0	0	0	0	113.1	S303 G307 E308 A309 F337	S303-S305 PolarHBondContact O-N 3.31Å; S303-S305 WeakPolarHBondContact OG-CB 3.32Å; S303-S305 PolarHBondContact OG-OG 3.43Å; S305-G307 VanDerWaalsContact C-N 3.32Å; S305-G307 PolarHBondContact O-N 3.02Å; S305-E308 PolarHBondContact O-N 3.28Å; S305-A309 PolarHBondContact O-N 3.33Å; S305-F337 VanDerWaalsContact O-CE1 3.32Å; S305-F337 WeakPolarHBondContact O-CE1 3.23Å
306	P	90.8	Very high	94.3	Very high	66 Å²	66	24 Å²	24	43%	0.429	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-37.1	179	-26.3	35.8	0	0	0	114.5	E308 A309 I339	P306-E308 VanDerWaalsContact C-N 3.32Å; P306-E308 PolarHBondContact O-N 2.86Å; P306-A309 PolarHBondContact O-N 2.91Å; P306-I339 HydrophobicContact CG-CD1 4.13Å
307	G	89.8	Confident	94.4	Very high	20 Å²	20	24 Å²	24	21%	0.206	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-36.1	177.7	0	0	0	0	0	112.5	S305 A309 T310	S305-G307 VanDerWaalsContact C-N 3.32Å; S305-G307 PolarHBondContact O-N 3.02Å; G307-A309 PolarHBondContact O-N 2.91Å; G307-T310 WeakPolarHBondContact O-CB 3.09Å; G307-T310 WeakPolarHBondContact O-CG2 3.14Å; G307-T310 PolarHBondContact O-N 2.95Å; G307-T310 PolarHBondContact O-OG1 3.32Å
308	E	93.3	Very high	94.6	Very high	11 Å²	11	27.4 Å²	27.4	5%	0.051	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.6	179.6	-74.9	-172.7	-132.3	0	0	114.7	H277 A301 T302 S303 S305 P306 T310 K312 F337	H277-E308 HydrophobicContact CB-CG 3.66Å; H277-E308 IonicContact CG-OE1 2.78Å; H277-E308 IonicContact ND1-OE1 2.61Å; H277-E308 PolarHBondContact ND1-OE1 2.72Å; H277-E308 IonicContact ND1-OE2 2.73Å; A301-E308 VanDerWaalsContact C-OE2 3.24Å; A301-E308 WeakPolarHBondContact CA-OE2 3.47Å; T302-E308 PolarHBondContact N-OE2 3.02Å; S303-E308 VanDerWaalsContact CB-OE1 3.29Å; S303-E308 WeakPolarHBondContact CB-OE1 3.12Å; S303-E308 PolarHBondContact N-OE1 2.95Å; S303-E308 PolarHBondContact N-OE2 3.25Å; S303-E308 VanDerWaalsContact OG-CD 3.23Å; S303-E308 PolarHBondContact OG-OE1 2.73Å; S305-E308 PolarHBondContact O-N 3.28Å; P306-E308 VanDerWaalsContact C-N 3.32Å; P306-E308 PolarHBondContact O-N 2.86Å; E308-T310 PolarHBondContact O-N 3.38Å; E308-K312 WeakPolarHBondContact O-CE 3.21Å; E308-F337 HydrophobicContact CB-CD1 4.37Å; E308-F337 HydrophobicContact CB-CE1 4.27Å
309	A	92.7	Very high	94.6	Very high	32 Å²	32	27.4 Å²	27.4	26%	0.264	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.8	168.9	0	0	0	0	0	113.1	S305 P306 G307 F337 I339	S305-A309 PolarHBondContact O-N 3.33Å; P306-A309 PolarHBondContact O-N 2.91Å; G307-A309 PolarHBondContact O-N 2.91Å; A309-F337 HydrophobicContact CB-CD1 3.88Å; A309-F337 HydrophobicContact CB-CE1 3.96Å; A309-F337 HydrophobicContact CB-CG 4.34Å; A309-F337 HydrophobicContact CB-CZ 4.48Å; A309-I339 HydrophobicContact CB-CB 4.35Å; A309-I339 HydrophobicContact CB-CG2 3.42Å; A309-I339 VanDerWaalsContact CB-CG2 3.42Å
310	T	92.9	Very high	94.5	Very high	41 Å²	41	30.3 Å²	30.3	25%	0.252	17%	0.169	S	C	.	.	S	Bend	trans	-64.3	137.5	170.4	62.4	0	0	0	0	110.6	E278 C279 G307 E308 K312	E278-T310 HydrophobicContact CG-CG2 3.9Å; C279-T310 WeakPolarHBondContact CB-OG1 3.35Å; C279-T310 PolarHBondContact N-OG1 3.33Å; G307-T310 WeakPolarHBondContact O-CB 3.09Å; G307-T310 WeakPolarHBondContact O-CG2 3.14Å; G307-T310 PolarHBondContact O-N 2.95Å; G307-T310 PolarHBondContact O-OG1 3.32Å; E308-T310 PolarHBondContact O-N 3.38Å; T310-K312 WeakPolarHBondContact O-CD 3.35Å; T310-K312 PolarHBondContact O-N 3.38Å
311	K	94.1	Very high	94.4	Very high	117 Å²	117	31.4 Å²	31.4	51%	0.509	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-64	121.8	-179	-168.2	163	-160.9	149.6	0	110.2	C279 H313 E380	C279-K311 PolarHBondContact SG-O 2.81Å; C279-K311 VanDerWaalsContact SG-O 3.33Å; K311-H313 PolarHBondContact O-CE1 2.95Å; K311-H313 PolarHBondContact O-ND1 2.68Å; K311-E380 IonicContact NZ-OE1 3.87Å; K311-E380 PolarHBondContact NZ-OE1 3.14Å
312	K	96.5	Very high	94.2	Very high	9 Å²	9	36.1 Å²	36.1	4%	0.039	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-74.6	144.2	-174.2	-51.2	-52.9	-172.5	118	0	112.5	H277 C279 S298 E308 T310 L331 V334	H277-K312 PolarHBondContact O-NZ 3Å; C279-K312 HydrophobicContact CB-CD 4.17Å; S298-K312 WeakPolarHBondContact O-CD 3.29Å; S298-K312 WeakPolarHBondContact O-CE 3.39Å; S298-K312 VanDerWaalsContact O-CG 3.29Å; S298-K312 WeakPolarHBondContact O-CG 3.44Å; S298-K312 PolarHBondContact O-NZ 3Å; S298-K312 PolarHBondContact OG-NZ 3.35Å; E308-K312 WeakPolarHBondContact O-CE 3.21Å; T310-K312 WeakPolarHBondContact O-CD 3.35Å; T310-K312 PolarHBondContact O-N 3.38Å; K312-L331 HydrophobicContact CB-CD1 4.27Å; K312-L331 PolarHBondContact O-N 3.26Å; K312-V334 HydrophobicContact CB-CG2 4.45Å; K312-V334 HydrophobicContact CG-CG1 4.15Å
313	H	96.9	Very high	94.2	Very high	26 Å²	26	42.8 Å²	42.8	12%	0.12	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.3	-177.7	-63.6	73.6	0	0	0	110.2	C279 I281 K311 K328 I329	C279-H313 PolarHBondContact SG-ND1 3.05Å; C279-H313 VanDerWaalsContact SG-ND1 3.35Å; I281-H313 HydrophobicContact CD1-CB 3.98Å; I281-H313 WeakPolarHBondContact CD1-O 3.49Å; I281-H313 HydrophobicContact CG2-CB 3.96Å; K311-H313 PolarHBondContact O-CE1 2.95Å; K311-H313 PolarHBondContact O-ND1 2.68Å; H313-K328 HydrophobicContact CB-CB 4.48Å; H313-I329 CarbonylContact C-O 3.6Å; H313-I329 WeakPolarHBondContact CA-O 3.4Å; H313-I329 WeakPolarHBondContact CB-O 3.39Å
314	I	97.4	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	156.4	163.3	57.9	-173.6	0	0	0	110.4	L46 I73 C76 I329 L331	L46-I314 HydrophobicContact CD1-CD1 3.98Å; L46-I314 HydrophobicContact CD1-CG1 4.2Å; L46-I314 HydrophobicContact CD2-CD1 4.18Å; L46-I314 HydrophobicContact CG-CD1 4.45Å; I73-I314 HydrophobicContact CD1-CG2 4.31Å; I73-I314 HydrophobicContact CG1-CD1 4.3Å; I73-I314 HydrophobicContact CG1-CG2 3.97Å; I73-I314 HydrophobicContact CG2-CD1 4.42Å; C76-I314 HydrophobicContact CB-CD1 3.85Å; I314-I329 HydrophobicContact CG1-CB 3.96Å; I314-I329 HydrophobicContact CG1-CG2 4.35Å; I314-I329 PolarHBondContact N-O 3.37Å; I314-I329 PolarHBondContact O-N 2.84Å; I314-L331 HydrophobicContact CD1-CD2 4.04Å; I314-L331 HydrophobicContact CG1-CD2 4.34Å; I314-L331 HydrophobicContact CG2-CD1 4.26Å; I314-L331 HydrophobicContact CG2-CD2 4.15Å; I314-L331 HydrophobicContact CG2-CG 4.39Å
315	G	97	Very high	94.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.9	-173.2	0	0	0	0	0	111.3	L46 I47 L317	L46-G315 CarbonylContact C-O 3.57Å; L46-G315 WeakPolarHBondContact CA-O 3.39Å; I47-G315 PolarHBondContact N-O 3.14Å; I47-G315 PolarHBondContact O-N 2.67Å; G315-L317 PolarHBondContact O-N 3.37Å
316	L	97.6	Very high	94.6	Very high	4 Å²	4	45 Å²	45	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	96.4	163.7	-179.9	61.9	0	0	0	108.1	K44 N80 V82 Q327 I329	K44-L316 HydrophobicContact CB-CD1 4.48Å; N80-L316 HydrophobicContact CB-CD2 4.29Å; V82-L316 HydrophobicContact CG1-CD1 3.6Å; L316-Q327 HydrophobicContact CB-CB 4.29Å; L316-Q327 PolarHBondContact N-O 3.42Å; L316-Q327 PolarHBondContact O-N 3.32Å; L316-I329 HydrophobicContact CB-CD1 4Å
317	L	97.4	Very high	94.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.6	174.8	175.6	66.7	0	0	0	109.3	I45 I47 L243 L270 G315 V319 M324 M326	I45-L317 HydrophobicContact CB-CB 4.25Å; I45-L317 HydrophobicContact CD1-CD2 4.11Å; I45-L317 PolarHBondContact N-O 3.05Å; I45-L317 PolarHBondContact O-N 3Å; I47-L317 HydrophobicContact CD1-CB 3.95Å; I47-L317 HydrophobicContact CD1-CD2 3.77Å; I47-L317 HydrophobicContact CD1-CG 4.47Å; I47-L317 HydrophobicContact CG1-CB 4.29Å; L243-L317 HydrophobicContact CD1-CD2 4.46Å; L243-L317 HydrophobicContact CD2-CD2 4.25Å; L270-L317 HydrophobicContact CD2-CD1 3.74Å; L270-L317 HydrophobicContact CD2-CD2 3.73Å; L270-L317 HydrophobicContact CD2-CG 4.42Å; G315-L317 PolarHBondContact O-N 3.37Å; L317-V319 HydrophobicContact CD1-CG2 4.17Å; L317-V319 HydrophobicContact CD2-CG2 3.89Å; L317-V319 HydrophobicContact CG-CG2 3.82Å; L317-M324 HydrophobicContact CD1-CB 3.93Å; L317-M324 HydrophobicContact CD1-SD 4.42Å; L317-M326 HydrophobicContact CB-CE 4.02Å; L317-M326 HydrophobicContact CB-SD 3.99Å; L317-M326 HydrophobicContact CD1-CE 3.97Å; L317-M326 HydrophobicContact CG-CE 4.46Å
318	R	96.7	Very high	95.2	Very high	77 Å²	77	50.5 Å²	50.5	29%	0.291	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.4	169.6	-73.8	173	165.9	-88.9	4.2	109.2	D39 T42 F43 M324 N325	D39-R318 IonicContact OD1-CZ 2.84Å; D39-R318 IonicContact OD1-NH1 3.59Å; D39-R318 PolarHBondContact OD1-NH1 3.14Å; D39-R318 IonicContact OD1-NH2 3.19Å; T42-R318 HydrophobicContact CG2-CB 4.09Å; T42-R318 HydrophobicContact CG2-CG 4.4Å; F43-R318 CarbonylContact O-C 3.57Å; F43-R318 VanDerWaalsContact O-CA 3.28Å; F43-R318 WeakPolarHBondContact O-CA 3.43Å; R318-M324 CarbonylContact O-C 3.55Å; R318-M324 VanDerWaalsContact O-CA 3.24Å; R318-M324 WeakPolarHBondContact O-CA 3.12Å; R318-N325 PolarHBondContact N-O 3.06Å; R318-N325 PolarHBondContact O-N 3.48Å
319	V	96.4	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.4	177.8	-172.3	0	0	0	0	110.1	T42 F43 I45 T204 F241 L317 K323 M324	T42-V319 CarbonylContact C-O 3.5Å; T42-V319 WeakPolarHBondContact CA-O 3.16Å; F43-V319 HydrophobicContact CB-CB 4.32Å; F43-V319 PolarHBondContact N-O 3.11Å; F43-V319 PolarHBondContact O-N 3.06Å; I45-V319 HydrophobicContact CD1-CG2 4.47Å; T204-V319 HydrophobicContact CG2-CG1 4.44Å; F241-V319 HydrophobicContact CB-CG1 3.92Å; F241-V319 HydrophobicContact CD1-CG1 3.76Å; F241-V319 HydrophobicContact CD1-CG2 4.26Å; F241-V319 HydrophobicContact CD2-CG1 3.97Å; F241-V319 HydrophobicContact CE1-CG1 4.22Å; F241-V319 HydrophobicContact CE1-CG2 4.03Å; F241-V319 HydrophobicContact CE2-CG1 4.41Å; F241-V319 HydrophobicContact CG-CG1 3.6Å; F241-V319 HydrophobicContact CZ-CG2 4.42Å; L317-V319 HydrophobicContact CD1-CG2 4.17Å; L317-V319 HydrophobicContact CD2-CG2 3.89Å; L317-V319 HydrophobicContact CG-CG2 3.82Å; V319-K323 WeakPolarHBondContact CA-O 3.4Å; V319-M324 HydrophobicContact CG2-CB 4.32Å
320	K	94.9	Very high	95.5	Very high	63 Å²	63	52.5 Å²	52.5	27%	0.274	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	122.6	174.3	-168.6	176.1	-173.6	145.8	0	110.6	D38 D41 T42 R322 K323	D38-K320 VanDerWaalsContact CG-NZ 3.33Å; D38-K320 PolarHBondContact O-NZ 3.2Å; D38-K320 IonicContact OD1-NZ 3.5Å; D38-K320 PolarHBondContact OD1-NZ 3.07Å; D38-K320 IonicContact OD2-NZ 3.53Å; D41-K320 HydrophobicContact CB-CD 4.48Å; D41-K320 HydrophobicContact CB-CG 4.44Å; T42-K320 WeakPolarHBondContact OG1-CD 3.48Å; K320-R322 PolarHBondContact O-N 3.15Å; K320-K323 PolarHBondContact N-O 2.96Å; K320-K323 PolarHBondContact O-N 3.46Å
321	G	92.2	Very high	95.7	Very high	28 Å²	28	51.1 Å²	51.1	29%	0.289	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-122	-163.9	0	0	0	0	0	109.9	T204	T204-G321 PolarHBondContact OG1-N 3.15Å
322	R	91.4	Very high	95.7	Very high	106 Å²	106	49.2 Å²	49.2	40%	0.4	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	18.8	172.8	-69.7	-172.1	60.1	-164.1	-3.1	115	D238 N239 W240 F241 D269 K320	D238-R322 WeakPolarHBondContact O-CD 3.29Å; D238-R322 PolarHBondContact O-NH1 3.49Å; N239-R322 WeakPolarHBondContact O-CG 3.49Å; W240-R322 VanDerWaalsContact O-CD 3.23Å; W240-R322 WeakPolarHBondContact O-CD 3.48Å; W240-R322 PolarHBondContact O-NE 3.44Å; F241-R322 HydrophobicContact CB-CG 4.39Å; D269-R322 IonicContact OD1-CZ 3.6Å; D269-R322 IonicContact OD1-NE 3.83Å; D269-R322 IonicContact OD1-NH2 3.57Å; D269-R322 PolarHBondContact OD1-NH2 3.31Å; D269-R322 IonicContact OD2-CZ 2.7Å; D269-R322 IonicContact OD2-NE 2.76Å; D269-R322 IonicContact OD2-NH2 3.97Å; K320-R322 PolarHBondContact O-N 3.15Å
323	K	93	Very high	95.7	Very high	172 Å²	172	49.7 Å²	49.7	75%	0.748	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.4	175.6	-67.3	179.2	-177.7	174.4	0	110.1	V319 K320	V319-K323 WeakPolarHBondContact CA-O 3.4Å; K320-K323 PolarHBondContact N-O 2.96Å; K320-K323 PolarHBondContact O-N 3.46Å
324	M	94.3	Very high	95.7	Very high	46 Å²	46	49.6 Å²	49.6	23%	0.227	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	156.1	177	69.3	79.6	177.6	0	0	112.7	F241 P283 Y292 L317 R318 V319	F241-M324 HydrophobicContact CE2-CB 3.82Å; F241-M324 HydrophobicContact CE2-CG 3.94Å; F241-M324 HydrophobicContact CZ-CB 3.73Å; F241-M324 HydrophobicContact CZ-CG 3.85Å; P283-M324 HydrophobicContact CB-CE 4.06Å; P283-M324 HydrophobicContact CG-CE 4.37Å; Y292-M324 HydrophobicContact CD1-CE 3.7Å; Y292-M324 HydrophobicContact CD2-CE 3.54Å; Y292-M324 HydrophobicContact CE1-CE 4.17Å; Y292-M324 HydrophobicContact CE2-CE 4.04Å; Y292-M324 HydrophobicContact CG-CE 3.35Å; L317-M324 HydrophobicContact CD1-CB 3.93Å; L317-M324 HydrophobicContact CD1-SD 4.42Å; R318-M324 CarbonylContact O-C 3.55Å; R318-M324 VanDerWaalsContact O-CA 3.24Å; R318-M324 WeakPolarHBondContact O-CA 3.12Å; V319-M324 HydrophobicContact CG2-CB 4.32Å
325	N	95.8	Very high	95.6	Very high	100 Å²	100	50.5 Å²	50.5	54%	0.535	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	135.8	169.2	-176.6	-100	0	0	0	109.4	R318	R318-N325 PolarHBondContact N-O 3.06Å; R318-N325 PolarHBondContact O-N 3.48Å
326	M	95.7	Very high	95.5	Very high	27 Å²	27	51.3 Å²	51.3	13%	0.133	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.8	179.7	-174.2	69	77	0	0	110.4	I47 P283 T294 L317	I47-M326 HydrophobicContact CD1-CE 4.11Å; P283-M326 HydrophobicContact CG-CB 3.52Å; P283-M326 HydrophobicContact CG-CE 4.27Å; P283-M326 HydrophobicContact CG-CG 3.93Å; T294-M326 HydrophobicContact CG2-CE 3.97Å; L317-M326 HydrophobicContact CB-CE 4.02Å; L317-M326 HydrophobicContact CB-SD 3.99Å; L317-M326 HydrophobicContact CD1-CE 3.97Å; L317-M326 HydrophobicContact CG-CE 4.46Å
327	Q	96.6	Very high	95.4	Very high	95 Å²	95	52 Å²	52	44%	0.444	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.5	170	175.3	-178	-16.8	0	0	109.2	L316	L316-Q327 HydrophobicContact CB-CB 4.29Å; L316-Q327 PolarHBondContact N-O 3.42Å; L316-Q327 PolarHBondContact O-N 3.32Å
328	K	96.6	Very high	95.3	Very high	106 Å²	106	53.4 Å²	53.4	46%	0.461	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	138	173.2	68.4	177.1	-172	158.8	0	111.6	I281 H313	I281-K328 HydrophobicContact CG2-CB 3.68Å; I281-K328 HydrophobicContact CG2-CD 4Å; H313-K328 HydrophobicContact CB-CB 4.48Å
329	I	96.4	Very high	95.3	Very high	23 Å²	23	51.7 Å²	51.7	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.2	177.7	-59.1	175.8	0	0	0	107.4	H313 I314 L316	H313-I329 CarbonylContact C-O 3.6Å; H313-I329 WeakPolarHBondContact CA-O 3.4Å; H313-I329 WeakPolarHBondContact CB-O 3.39Å; I314-I329 HydrophobicContact CG1-CB 3.96Å; I314-I329 HydrophobicContact CG1-CG2 4.35Å; I314-I329 PolarHBondContact N-O 3.37Å; I314-I329 PolarHBondContact O-N 2.84Å; L316-I329 HydrophobicContact CB-CD1 4Å
330	P	96.2	Very high	95.2	Very high	63 Å²	63	54.5 Å²	54.5	41%	0.409	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	136.7	178.2	30.2	-33.5	0	0	0	110.8
331	L	96.1	Very high	95.1	Very high	11 Å²	11	55.8 Å²	55.8	6%	0.058	27%	0.274	C	S	.	.			trans	-77.4	147.6	174.2	-64.6	168.3	0	0	0	110.7	T69 E72 I73 K312 I314 V334	T69-L331 HydrophobicContact CG2-CD1 3.87Å; E72-L331 HydrophobicContact CG-CD2 4.15Å; I73-L331 HydrophobicContact CG1-CD2 3.85Å; K312-L331 HydrophobicContact CB-CD1 4.27Å; K312-L331 PolarHBondContact O-N 3.26Å; I314-L331 HydrophobicContact CD1-CD2 4.04Å; I314-L331 HydrophobicContact CG1-CD2 4.34Å; I314-L331 HydrophobicContact CG2-CD1 4.26Å; I314-L331 HydrophobicContact CG2-CD2 4.15Å; I314-L331 HydrophobicContact CG2-CG 4.39Å; L331-V334 HydrophobicContact CB-CG2 3.58Å; L331-V334 HydrophobicContact CD1-CG2 3.77Å; L331-V334 HydrophobicContact CG-CG2 4.32Å
332	K	94.6	Very high	95.1	Very high	77 Å²	77	54.7 Å²	54.7	34%	0.335	26%	0.261	S	S	.	.	S	Bend	trans	-112.4	-26.6	-173.4	-55.3	179	-146.7	81	0	112.9	E72 L386 T387	E72-K332 VanDerWaalsContact OE1-CB 3.26Å; E72-K332 WeakPolarHBondContact OE1-CB 3.32Å; E72-K332 VanDerWaalsContact OE1-CG 3.23Å; E72-K332 WeakPolarHBondContact OE1-CG 3.47Å; E72-K332 PolarHBondContact OE1-N 3.49Å; E72-K332 VanDerWaalsContact OE1-N 3.15Å; E72-K332 IonicContact OE1-NZ 3.79Å; E72-K332 PolarHBondContact OE1-NZ 2.77Å; E72-K332 PolarHBondContact OE2-N 2.94Å; K332-L386 HydrophobicContact CB-CB 4.09Å; K332-L386 HydrophobicContact CB-CD1 4.09Å; K332-L386 HydrophobicContact CD-CD1 3.99Å; K332-L386 CarbonylContact O-C 3.4Å; K332-T387 WeakPolarHBondContact O-CA 3.3Å; K332-T387 WeakPolarHBondContact O-CG2 3.44Å; K332-T387 PolarHBondContact O-N 3.01Å
333	T	96.1	Very high	95.1	Very high	19 Å²	19	51.1 Å²	51.1	12%	0.117	25%	0.251	C	S	.	.	S	Bend	trans	-86.4	-11.5	-179.2	52.4	0	0	0	0	113.7	T69 E72 L386 P388	T69-T333 WeakPolarHBondContact CA-OG1 3.48Å; E72-T333 HydrophobicContact CB-CG2 4.06Å; E72-T333 WeakPolarHBondContact OE2-CB 3.42Å; E72-T333 WeakPolarHBondContact OE2-CG2 3.34Å; E72-T333 PolarHBondContact OE2-N 3.2Å; E72-T333 PolarHBondContact OE2-OG1 3.15Å; T333-L386 HydrophobicContact CG2-CB 4.45Å; T333-P388 WeakPolarHBondContact O-CD 3.2Å; T333-P388 VanDerWaalsContact O-CG 3.32Å; T333-P388 WeakPolarHBondContact O-CG 3.37Å
334	V	96.4	Very high	94.9	Very high	25 Å²	25	43 Å²	43	15%	0.152	22%	0.216	C	C	.	.	S	Bend	trans	-67.8	132.8	178.9	-179.7	0	0	0	0	110.4	T69 S299 K312 L331 Q336	T69-V334 HydrophobicContact CG2-CG2 3.66Å; S299-V334 WeakPolarHBondContact O-CG2 3.47Å; K312-V334 HydrophobicContact CB-CG2 4.45Å; K312-V334 HydrophobicContact CG-CG1 4.15Å; L331-V334 HydrophobicContact CB-CG2 3.58Å; L331-V334 HydrophobicContact CD1-CG2 3.77Å; L331-V334 HydrophobicContact CG-CG2 4.32Å; V334-Q336 PolarHBondContact O-N 3.28Å
335	R	95.6	Very high	94.4	Very high	18 Å²	18	42.6 Å²	42.6	7%	0.068	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-66.5	124.6	175.5	-170.6	175.3	-59	-93.6	-3.2	110.4	I61 D65 P388 K390 L392	I61-R335 PolarHBondContact O-NH2 2.84Å; D65-R335 IonicContact OD1-CZ 3.94Å; D65-R335 IonicContact OD1-NE 2.85Å; D65-R335 IonicContact OD1-NH2 3.72Å; D65-R335 PolarHBondContact OD1-NH2 2.7Å; D65-R335 IonicContact OD2-CZ 3.3Å; D65-R335 IonicContact OD2-NE 3.76Å; D65-R335 PolarHBondContact OD2-NE 3.07Å; D65-R335 IonicContact OD2-NH2 2.69Å; D65-R335 PolarHBondContact OD2-NH2 2.96Å; R335-P388 HydrophobicContact CB-CB 4.43Å; R335-P388 HydrophobicContact CB-CG 4.23Å; R335-P388 HydrophobicContact CG-CB 4.4Å; R335-K390 VanDerWaalsContact CD-O 3.32Å; R335-K390 WeakPolarHBondContact CD-O 3.43Å; R335-K390 WeakPolarHBondContact CG-O 3.34Å; R335-K390 PolarHBondContact NH1-O 2.76Å; R335-L392 HydrophobicContact CG-CG 4.25Å
336	Q	94.8	Very high	93.9	Very high	17 Å²	17	43.6 Å²	43.6	8%	0.079	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-56.4	139.8	176	-60.9	167.7	-70.4	0	0	110.9	V334 F338 A377 E380 P391 L392	V334-Q336 PolarHBondContact O-N 3.28Å; Q336-F338 HydrophobicContact CB-CD2 4.42Å; Q336-F338 HydrophobicContact CB-CE2 3.8Å; Q336-F338 HydrophobicContact CG-CE2 4.47Å; Q336-A377 PolarHBondContact NE2-O 2.55Å; Q336-A377 PolarHBondContact OE1-O 3.17Å; Q336-E380 PolarHBondContact NE2-OE2 3.32Å; Q336-P391 HydrophobicContact CB-CB 4.25Å; Q336-L392 PolarHBondContact O-N 3.03Å
337	F	96.4	Very high	93.3	Very high	18 Å²	18	45.7 Å²	45.7	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	118.1	175.5	173.1	-150.1	0	0	0	110	A301 L304 S305 E308 A309 I339 L392 R394	A301-F337 HydrophobicContact CB-CD1 4.32Å; L304-F337 VanDerWaalsContact CA-CZ 3.47Å; L304-F337 HydrophobicContact CB-CE2 4.39Å; L304-F337 HydrophobicContact CB-CZ 3.9Å; L304-F337 HydrophobicContact CD2-CD2 4.09Å; L304-F337 HydrophobicContact CD2-CE1 4.27Å; L304-F337 HydrophobicContact CD2-CE2 3.69Å; L304-F337 HydrophobicContact CD2-CZ 3.8Å; L304-F337 HydrophobicContact CG-CZ 4.47Å; S305-F337 VanDerWaalsContact O-CE1 3.32Å; S305-F337 WeakPolarHBondContact O-CE1 3.23Å; E308-F337 HydrophobicContact CB-CD1 4.37Å; E308-F337 HydrophobicContact CB-CE1 4.27Å; A309-F337 HydrophobicContact CB-CD1 3.88Å; A309-F337 HydrophobicContact CB-CE1 3.96Å; A309-F337 HydrophobicContact CB-CG 4.34Å; A309-F337 HydrophobicContact CB-CZ 4.48Å; F337-I339 HydrophobicContact CE2-CB 4.01Å; F337-I339 HydrophobicContact CZ-CB 3.94Å; F337-I339 HydrophobicContact CZ-CD1 4.21Å; F337-L392 WeakPolarHBondContact CA-O 3.22Å; F337-L392 HydrophobicContact CB-CB 4.01Å; F337-L392 HydrophobicContact CB-CD1 4.35Å; F337-L392 HydrophobicContact CD2-CB 3.78Å; F337-L392 HydrophobicContact CG-CB 4.13Å; F337-R394 HydrophobicContact CE2-CB 3.81Å; F337-R394 HydrophobicContact CZ-CB 4.26Å
338	F	95.7	Very high	92.2	Very high	30 Å²	30	47.4 Å²	47.4	13%	0.132	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.5	175.3	-64.7	-91.1	0	0	0	110.3	Q336 M373 E376 A377 L392 I393 R394	Q336-F338 HydrophobicContact CB-CD2 4.42Å; Q336-F338 HydrophobicContact CB-CE2 3.8Å; Q336-F338 HydrophobicContact CG-CE2 4.47Å; F338-M373 HydrophobicContact CB-CB 4.19Å; F338-M373 HydrophobicContact CB-CG 4.15Å; F338-M373 HydrophobicContact CB-SD 3.82Å; F338-E376 HydrophobicContact CE1-CB 4.36Å; F338-E376 HydrophobicContact CE1-CG 3.83Å; F338-E376 HydrophobicContact CZ-CG 4.19Å; F338-A377 HydrophobicContact CD2-CB 4.13Å; F338-A377 HydrophobicContact CE2-CB 3.49Å; F338-A377 VanDerWaalsContact CE2-CB 3.49Å; F338-A377 HydrophobicContact CZ-CB 4.19Å; F338-L392 PolarHBondContact N-O 3.27Å; F338-I393 CarbonylContact O-C 3.56Å; F338-I393 WeakPolarHBondContact O-CA 3.48Å; F338-R394 PolarHBondContact O-N 3.05Å
339	I	95.3	Very high	91.2	Very high	41 Å²	41	50.4 Å²	50.4	21%	0.21	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135	175.3	-171.4	169.2	0	0	0	109.5	P306 A309 F337 R394 R396	P306-I339 HydrophobicContact CG-CD1 4.13Å; A309-I339 HydrophobicContact CB-CB 4.35Å; A309-I339 HydrophobicContact CB-CG2 3.42Å; A309-I339 VanDerWaalsContact CB-CG2 3.42Å; F337-I339 HydrophobicContact CE2-CB 4.01Å; F337-I339 HydrophobicContact CZ-CB 3.94Å; F337-I339 HydrophobicContact CZ-CD1 4.21Å; I339-R394 VanDerWaalsContact CA-O 3.29Å; I339-R394 WeakPolarHBondContact CA-O 3.44Å; I339-R394 HydrophobicContact CB-CB 4.47Å; I339-R394 HydrophobicContact CD1-CB 4.43Å; I339-R394 HydrophobicContact CD1-CG 4.35Å; I339-R394 HydrophobicContact CG1-CB 4.1Å; I339-R394 HydrophobicContact CG1-CG 4.37Å; I339-R394 WeakPolarHBondContact CG1-O 3.48Å; I339-R396 HydrophobicContact CD1-CG 4.45Å; I339-R396 HydrophobicContact CG1-CG 4.49Å
340	Q	94.8	Very high	90.1	Very high	59 Å²	59	53.9 Å²	53.9	28%	0.276	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.4	179.7	-175.8	171.6	55.3	0	0	110.8	M373 R394 L395 R396	Q340-M373 HydrophobicContact CB-CE 4.18Å; Q340-M373 HydrophobicContact CB-SD 3.86Å; Q340-R394 PolarHBondContact N-O 3.39Å; Q340-L395 HydrophobicContact CB-CD1 4.09Å; Q340-L395 HydrophobicContact CG-CD1 4.39Å; Q340-L395 CarbonylContact O-C 2.99Å; Q340-L395 WeakPolarHBondContact O-CA 3.21Å; Q340-R396 PolarHBondContact O-N 2.89Å
341	D	93.6	Very high	89.2	Confident	91 Å²	91	51.3 Å²	51.3	49%	0.487	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.2	176.5	-66.1	-7.5	0	0	0	110	R396	D341-R396 WeakPolarHBondContact CA-O 3.43Å; D341-R396 VanDerWaalsContact CG-NH2 3.25Å; D341-R396 WeakPolarHBondContact OD1-CB 3.23Å; D341-R396 IonicContact OD1-CZ 2.69Å; D341-R396 VanDerWaalsContact OD1-CZ 3.24Å; D341-R396 IonicContact OD1-NE 2.64Å; D341-R396 PolarHBondContact OD1-NE 3.18Å; D341-R396 IonicContact OD1-NH2 3.45Å; D341-R396 PolarHBondContact OD1-NH2 3.32Å; D341-R396 IonicContact OD2-CZ 2.67Å; D341-R396 IonicContact OD2-NE 3.83Å; D341-R396 IonicContact OD2-NH2 2.64Å; D341-R396 PolarHBondContact OD2-NH2 3.08Å
342	V	91.8	Very high	88.3	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	109	179.1	176.1	0	0	0	0	108	L344 Y347 L365 L395 R396 V397 D398	V342-L344 HydrophobicContact CG1-CD2 4.14Å; V342-Y347 HydrophobicContact CG1-CD2 4.49Å; V342-Y347 HydrophobicContact CG1-CE2 3.89Å; V342-L365 HydrophobicContact CG1-CD2 4.44Å; V342-L395 HydrophobicContact CG2-CD1 3.68Å; V342-L395 HydrophobicContact CG2-CG 4.19Å; V342-R396 PolarHBondContact N-O 3.35Å; V342-V397 CarbonylContact O-C 3.55Å; V342-V397 VanDerWaalsContact O-CA 3.31Å; V342-V397 WeakPolarHBondContact O-CA 3.39Å; V342-D398 PolarHBondContact O-N 3.08Å
343	V	91.8	Very high	87.4	Confident	31 Å²	31	52.2 Å²	52.2	19%	0.188	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.6	174.5	-179.2	0	0	0	0	108.3	A345 D346 Y347 D398	V343-A345 VanDerWaalsContact C-N 3.29Å; V343-A345 HydrophobicContact CG1-CB 4.17Å; V343-A345 PolarHBondContact O-N 3.4Å; V343-D346 HydrophobicContact CB-CB 4.43Å; V343-D346 WeakPolarHBondContact CG1-OD1 3.5Å; V343-D346 WeakPolarHBondContact O-CB 3.4Å; V343-D346 PolarHBondContact O-N 3.03Å; V343-Y347 VanDerWaalsContact O-CD2 3.24Å; V343-Y347 WeakPolarHBondContact O-CD2 3.19Å; V343-D398 HydrophobicContact CB-CB 4.46Å; V343-D398 HydrophobicContact CG1-CB 4.42Å; V343-D398 HydrophobicContact CG2-CB 4.18Å
344	L	87.5	Confident	86.4	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-70.4	-25.1	-174.2	-63.3	-175	0	0	0	113.4	V342 D346 Y347 F351 V362 V397 D398 F403	V342-L344 HydrophobicContact CG1-CD2 4.14Å; L344-D346 VanDerWaalsContact C-N 3.26Å; L344-D346 PolarHBondContact O-N 3.31Å; L344-Y347 PolarHBondContact O-N 3.11Å; L344-F351 HydrophobicContact CD2-CE2 4.31Å; L344-F351 HydrophobicContact CD2-CZ 4.48Å; L344-V362 HydrophobicContact CD1-CG1 3.87Å; L344-V362 HydrophobicContact CD1-CG2 4.22Å; L344-V362 HydrophobicContact CD2-CG1 3.85Å; L344-V362 HydrophobicContact CD2-CG2 4.37Å; L344-V397 HydrophobicContact CD1-CG1 3.93Å; L344-V397 HydrophobicContact CD2-CG1 3.86Å; L344-V397 HydrophobicContact CG-CG1 3.8Å; L344-D398 PolarHBondContact N-O 3.46Å; L344-F403 HydrophobicContact CB-CD2 3.54Å; L344-F403 HydrophobicContact CB-CE2 3.53Å; L344-F403 HydrophobicContact CB-CG 4.08Å; L344-F403 HydrophobicContact CB-CZ 4.07Å; L344-F403 HydrophobicContact CD1-CB 3.72Å; L344-F403 HydrophobicContact CD1-CD1 4.35Å; L344-F403 HydrophobicContact CD1-CD2 3.97Å; L344-F403 HydrophobicContact CD1-CG 3.76Å; L344-F403 HydrophobicContact CG-CD2 4.41Å
345	A	85.2	Confident	85.6	Confident	37 Å²	37	58.5 Å²	58.5	31%	0.306	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-64.8	-27.5	172.4	0	0	0	0	0	113	V343 Y347 E348	V343-A345 VanDerWaalsContact C-N 3.29Å; V343-A345 HydrophobicContact CG1-CB 4.17Å; V343-A345 PolarHBondContact O-N 3.4Å; A345-Y347 PolarHBondContact O-N 2.93Å; A345-Y347 VanDerWaalsContact O-N 3.09Å; A345-E348 WeakPolarHBondContact O-CG 3.32Å; A345-E348 PolarHBondContact O-N 3.06Å
346	D	85.4	Confident	84.8	Confident	122 Å²	122	63 Å²	63	65%	0.652	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-72.8	-1.4	178.2	-57.7	3.5	0	0	0	112.2	V343 L344	V343-D346 HydrophobicContact CB-CB 4.43Å; V343-D346 WeakPolarHBondContact CG1-OD1 3.5Å; V343-D346 WeakPolarHBondContact O-CB 3.4Å; V343-D346 PolarHBondContact O-N 3.03Å; L344-D346 VanDerWaalsContact C-N 3.26Å; L344-D346 PolarHBondContact O-N 3.31Å
347	Y	81.8	Confident	84.1	Confident	70 Å²	70	68 Å²	68	28%	0.275	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-121	24.3	-178.1	-63.1	-80.6	0	0	0	113.8	V342 V343 L344 A345 D349 L350 F351 L365	V342-Y347 HydrophobicContact CG1-CD2 4.49Å; V342-Y347 HydrophobicContact CG1-CE2 3.89Å; V343-Y347 VanDerWaalsContact O-CD2 3.24Å; V343-Y347 WeakPolarHBondContact O-CD2 3.19Å; L344-Y347 PolarHBondContact O-N 3.11Å; A345-Y347 PolarHBondContact O-N 2.93Å; A345-Y347 VanDerWaalsContact O-N 3.09Å; Y347-D349 PolarHBondContact O-N 3.45Å; Y347-D349 VanDerWaalsContact O-N 3.13Å; Y347-L350 HydrophobicContact CD1-CD1 3.77Å; Y347-L350 PolarHBondContact O-N 2.88Å; Y347-F351 HydrophobicContact CG-CZ 4.43Å; Y347-F351 PolarHBondContact O-N 3.14Å; Y347-L365 HydrophobicContact CD1-CD2 4.4Å; Y347-L365 HydrophobicContact CD2-CD2 4.2Å; Y347-L365 HydrophobicContact CE1-CD2 4.46Å; Y347-L365 HydrophobicContact CE2-CD2 4.31Å; Y347-L365 HydrophobicContact CG-CD2 4.26Å
348	E	74.3	Confident	83.6	Confident	131 Å²	131	67.9 Å²	67.9	61%	0.612	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-35.5	175.7	-80.7	176.6	-168.1	0	0	113.1	A345 L350 F351	A345-E348 WeakPolarHBondContact O-CG 3.32Å; A345-E348 PolarHBondContact O-N 3.06Å; E348-L350 PolarHBondContact O-N 3.28Å; E348-F351 PolarHBondContact O-N 2.94Å
349	D	74.8	Confident	83.1	Confident	170 Å²	170	68.3 Å²	68.3	91%	0.909	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.1	174.6	-73.5	-36.8	0	0	0	114.4	Y347	Y347-D349 PolarHBondContact O-N 3.45Å; Y347-D349 VanDerWaalsContact O-N 3.13Å
350	L	74.9	Confident	82.7	Confident	96 Å²	96	71.9 Å²	71.9	50%	0.503	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-34.8	-178.2	-61.5	-177.7	0	0	0	112.7	Y347 E348 K361	Y347-L350 HydrophobicContact CD1-CD1 3.77Å; Y347-L350 PolarHBondContact O-N 2.88Å; E348-L350 PolarHBondContact O-N 3.28Å; L350-K361 PolarHBondContact O-NZ 2.82Å
351	F	77.3	Confident	82.4	Confident	8 Å²	8	73.4 Å²	73.4	4%	0.035	39%	0.389	C	S	.	.			trans	-163.8	129.9	179.2	42.8	-94	0	0	0	112.8	L344 Y347 E348 T355 V358 K361 V362 L365 F403	L344-F351 HydrophobicContact CD2-CE2 4.31Å; L344-F351 HydrophobicContact CD2-CZ 4.48Å; Y347-F351 HydrophobicContact CG-CZ 4.43Å; Y347-F351 PolarHBondContact O-N 3.14Å; E348-F351 PolarHBondContact O-N 2.94Å; F351-T355 HydrophobicContact CB-CG2 4.4Å; F351-V358 HydrophobicContact CB-CG2 4.16Å; F351-V358 HydrophobicContact CD2-CG2 4.05Å; F351-V358 HydrophobicContact CG-CG2 4.38Å; F351-K361 HydrophobicContact CB-CD 3.71Å; F351-K361 HydrophobicContact CD1-CB 3.94Å; F351-K361 HydrophobicContact CD1-CD 4.07Å; F351-K361 HydrophobicContact CG-CB 4.34Å; F351-K361 HydrophobicContact CG-CD 4.25Å; F351-V362 HydrophobicContact CD2-CG2 4.02Å; F351-V362 HydrophobicContact CE2-CG2 3.66Å; F351-V362 HydrophobicContact CZ-CG2 4.07Å; F351-L365 HydrophobicContact CE1-CD2 4.06Å; F351-L365 HydrophobicContact CZ-CD2 3.72Å; F351-F403 AromaticContact CD2-CE1 3.92Å; F351-F403 HydrophobicContact CD2-CE1 3.92Å; F351-F403 HydrophobicContact CE2-CE1 4.33Å
352	T	77	Confident	82.2	Confident	56 Å²	56	69.1 Å²	69.1	34%	0.344	37%	0.367	S	S	.	.			trans	-91.5	163.3	166.2	58.7	0	0	0	0	111	D354 T355	T352-D354 PolarHBondContact O-N 3.43Å; T352-T355 PolarHBondContact N-OG1 3.28Å; T352-T355 VanDerWaalsContact N-OG1 3.08Å; T352-T355 WeakPolarHBondContact O-CB 3.21Å; T352-T355 PolarHBondContact O-N 3.45Å; T352-T355 PolarHBondContact O-OG1 2.85Å; T352-T355 PolarHBondContact OG1-OG1 2.93Å
353	P	74.4	Confident	82.2	Confident	51 Å²	51	70.5 Å²	70.5	33%	0.331	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.7	173.1	-27	35.5	0	0	0	113.7	T355 G401 F403	P353-T355 PolarHBondContact O-N 3.26Å; P353-G401 WeakPolarHBondContact CG-O 3.3Å; P353-F403 HydrophobicContact CG-CD1 4.38Å; P353-F403 HydrophobicContact CG-CE1 4Å; P353-F403 HydrophobicContact CG-CE2 4.47Å; P353-F403 HydrophobicContact CG-CZ 4.06Å
354	D	76.2	Confident	82.1	Confident	149 Å²	149	74 Å²	74	80%	0.797	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-4.1	178	-54.2	-65.7	0	0	0	114.2	T352 P356	T352-D354 PolarHBondContact O-N 3.43Å; D354-P356 WeakPolarHBondContact O-CD 2.88Å
355	T	78.8	Confident	82.3	Confident	27 Å²	27	75.2 Å²	75.2	17%	0.166	40%	0.397	C	S	.	.	S	Bend	trans	-68.3	125.2	-177.2	-69.5	0	0	0	0	111.1	F351 T352 P353 Q357 V358 K361	F351-T355 HydrophobicContact CB-CG2 4.4Å; T352-T355 PolarHBondContact N-OG1 3.28Å; T352-T355 VanDerWaalsContact N-OG1 3.08Å; T352-T355 WeakPolarHBondContact O-CB 3.21Å; T352-T355 PolarHBondContact O-N 3.45Å; T352-T355 PolarHBondContact O-OG1 2.85Å; T352-T355 PolarHBondContact OG1-OG1 2.93Å; P353-T355 PolarHBondContact O-N 3.26Å; T355-Q357 PolarHBondContact O-N 2.94Å; T355-V358 WeakPolarHBondContact O-CB 3.27Å; T355-V358 PolarHBondContact O-N 3.01Å; T355-K361 HydrophobicContact CG2-CD 4.06Å
356	P	78.4	Confident	82.7	Confident	113 Å²	113	73.5 Å²	73.5	73%	0.734	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	127.2	175.7	-28.2	35.9	0	0	0	112.4	D354 V358	D354-P356 WeakPolarHBondContact O-CD 2.88Å; P356-V358 VanDerWaalsContact C-N 3.32Å; P356-V358 PolarHBondContact O-N 2.83Å
357	Q	81.4	Confident	83.1	Confident	121 Å²	121	71.4 Å²	71.4	57%	0.565	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	26.7	-176.3	-50.3	-73.4	-67.9	0	0	114.8	T355 T359 K360 K361	T355-Q357 PolarHBondContact O-N 2.94Å; Q357-T359 PolarHBondContact O-N 2.75Å; Q357-T359 VanDerWaalsContact O-N 3.14Å; Q357-K360 HydrophobicContact CB-CD 4.49Å; Q357-K360 PolarHBondContact O-N 3.16Å; Q357-K360 VanDerWaalsContact OE1-CE 3.25Å; Q357-K361 PolarHBondContact O-N 2.84Å
358	V	85	Confident	83.7	Confident	16 Å²	16	70.5 Å²	70.5	10%	0.097	38%	0.375	C	S	.	.	H	α-helix	trans	-45.3	-44.2	175.3	59	0	0	0	0	113	F351 T355 P356 K360 K361 V362 F403	F351-V358 HydrophobicContact CB-CG2 4.16Å; F351-V358 HydrophobicContact CD2-CG2 4.05Å; F351-V358 HydrophobicContact CG-CG2 4.38Å; T355-V358 WeakPolarHBondContact O-CB 3.27Å; T355-V358 PolarHBondContact O-N 3.01Å; P356-V358 VanDerWaalsContact C-N 3.32Å; P356-V358 PolarHBondContact O-N 2.83Å; V358-K360 PolarHBondContact O-N 2.88Å; V358-K360 VanDerWaalsContact O-N 3.13Å; V358-K361 WeakPolarHBondContact O-CA 3.44Å; V358-K361 WeakPolarHBondContact O-CB 3.37Å; V358-K361 PolarHBondContact O-N 3.29Å; V358-V362 HydrophobicContact CG2-CG2 4.13Å; V358-V362 WeakPolarHBondContact O-CG2 3.27Å; V358-V362 PolarHBondContact O-N 2.76Å; V358-F403 HydrophobicContact CG2-CD1 3.89Å; V358-F403 HydrophobicContact CG2-CE1 4.09Å
359	T	85.8	Confident	84.6	Confident	39 Å²	39	66.1 Å²	66.1	24%	0.239	35%	0.354	C	S	.	.	H	α-helix	trans	-55	-35.2	179.3	-27.2	0	0	0	0	112.9	Q357 E363 E404 F406	Q357-T359 PolarHBondContact O-N 2.75Å; Q357-T359 VanDerWaalsContact O-N 3.14Å; T359-E363 WeakPolarHBondContact O-CB 3.33Å; T359-E363 PolarHBondContact O-N 3.26Å; T359-E404 HydrophobicContact CG2-CB 4.44Å; T359-F406 HydrophobicContact CG2-CB 4.13Å
360	K	87.5	Confident	85.6	Confident	117 Å²	117	58 Å²	58	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-79.7	-32.1	175.4	-68.5	179.8	-177.6	161	0	113	Q357 V358 V362 N364	Q357-K360 HydrophobicContact CB-CD 4.49Å; Q357-K360 PolarHBondContact O-N 3.16Å; Q357-K360 VanDerWaalsContact OE1-CE 3.25Å; V358-K360 PolarHBondContact O-N 2.88Å; V358-K360 VanDerWaalsContact O-N 3.13Å; K360-V362 VanDerWaalsContact C-N 3.35Å; K360-N364 WeakPolarHBondContact O-CB 3.13Å; K360-N364 PolarHBondContact O-N 2.8Å; K360-N364 PolarHBondContact O-ND2 3.49Å
361	K	87.7	Confident	86.6	Confident	90 Å²	90	54.4 Å²	54.4	39%	0.391	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-45.4	170.6	-74.1	-174	167.5	-170.2	0	110.3	L350 F351 T355 Q357 V358 N364 L365	L350-K361 PolarHBondContact O-NZ 2.82Å; F351-K361 HydrophobicContact CB-CD 3.71Å; F351-K361 HydrophobicContact CD1-CB 3.94Å; F351-K361 HydrophobicContact CD1-CD 4.07Å; F351-K361 HydrophobicContact CG-CB 4.34Å; F351-K361 HydrophobicContact CG-CD 4.25Å; T355-K361 HydrophobicContact CG2-CD 4.06Å; Q357-K361 PolarHBondContact O-N 2.84Å; V358-K361 WeakPolarHBondContact O-CA 3.44Å; V358-K361 WeakPolarHBondContact O-CB 3.37Å; V358-K361 PolarHBondContact O-N 3.29Å; K361-N364 PolarHBondContact O-N 2.91Å; K361-L365 PolarHBondContact O-N 2.9Å
362	V	89.3	Confident	87.4	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-44.8	176	-179.5	0	0	0	0	111.1	L344 F351 V358 K360 N364 L365 C366 F406	L344-V362 HydrophobicContact CD1-CG1 3.87Å; L344-V362 HydrophobicContact CD1-CG2 4.22Å; L344-V362 HydrophobicContact CD2-CG1 3.85Å; L344-V362 HydrophobicContact CD2-CG2 4.37Å; F351-V362 HydrophobicContact CD2-CG2 4.02Å; F351-V362 HydrophobicContact CE2-CG2 3.66Å; F351-V362 HydrophobicContact CZ-CG2 4.07Å; V358-V362 HydrophobicContact CG2-CG2 4.13Å; V358-V362 WeakPolarHBondContact O-CG2 3.27Å; V358-V362 PolarHBondContact O-N 2.76Å; K360-V362 VanDerWaalsContact C-N 3.35Å; V362-N364 VanDerWaalsContact C-N 3.29Å; V362-N364 PolarHBondContact O-N 2.97Å; V362-L365 PolarHBondContact O-N 3.47Å; V362-C366 PolarHBondContact O-N 3.08Å; V362-C366 PolarHBondContact O-SG 3.42Å; V362-F406 HydrophobicContact CG1-CE1 4.16Å
363	E	91.3	Very high	88.3	Confident	32 Å²	32	56.2 Å²	56.2	15%	0.15	30%	0.298	C	S	.	.	H	α-helix	trans	-57.4	-41.2	174.3	-165.5	-169	155.6	0	0	112.2	T359 F367 F406 F411 K414	T359-E363 WeakPolarHBondContact O-CB 3.33Å; T359-E363 PolarHBondContact O-N 3.26Å; E363-F367 WeakPolarHBondContact O-CB 3.48Å; E363-F367 PolarHBondContact O-N 3.26Å; E363-F406 HydrophobicContact CB-CD1 4.07Å; E363-F406 HydrophobicContact CB-CE1 4.13Å; E363-F406 HydrophobicContact CB-CG 4.4Å; E363-F406 HydrophobicContact CG-CD1 4.43Å; E363-F406 HydrophobicContact CG-CD2 4.28Å; E363-F406 HydrophobicContact CG-CE1 4.42Å; E363-F406 HydrophobicContact CG-CE2 4.27Å; E363-F406 HydrophobicContact CG-CG 4.36Å; E363-F406 HydrophobicContact CG-CZ 4.33Å; E363-F411 HydrophobicContact CG-CD2 3.98Å; E363-K414 IonicContact OE1-NZ 2.7Å; E363-K414 PolarHBondContact OE1-NZ 2.87Å
364	N	91.3	Very high	89.3	Confident	104 Å²	104	53.9 Å²	53.9	56%	0.556	28%	0.283	S	S	*	.	H	α-helix	trans	-70.2	-38.1	177.2	-72.4	-14.8	0	0	0	112.9	K360 K361 V362 F367 A368	K360-N364 WeakPolarHBondContact O-CB 3.13Å; K360-N364 PolarHBondContact O-N 2.8Å; K360-N364 PolarHBondContact O-ND2 3.49Å; K361-N364 PolarHBondContact O-N 2.91Å; V362-N364 VanDerWaalsContact C-N 3.29Å; V362-N364 PolarHBondContact O-N 2.97Å; N364-F367 PolarHBondContact O-N 2.98Å; N364-A368 PolarHBondContact O-N 2.8Å
365	L	91.6	Very high	90.1	Very high	29 Å²	29	52.1 Å²	52.1	15%	0.152	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-46	173.9	179	63.2	0	0	0	110.9	V342 Y347 F351 K361 V362 F367 A368 K369	V342-L365 HydrophobicContact CG1-CD2 4.44Å; Y347-L365 HydrophobicContact CD1-CD2 4.4Å; Y347-L365 HydrophobicContact CD2-CD2 4.2Å; Y347-L365 HydrophobicContact CE1-CD2 4.46Å; Y347-L365 HydrophobicContact CE2-CD2 4.31Å; Y347-L365 HydrophobicContact CG-CD2 4.26Å; F351-L365 HydrophobicContact CE1-CD2 4.06Å; F351-L365 HydrophobicContact CZ-CD2 3.72Å; K361-L365 PolarHBondContact O-N 2.9Å; V362-L365 PolarHBondContact O-N 3.47Å; L365-F367 VanDerWaalsContact C-N 3.3Å; L365-F367 PolarHBondContact O-N 3.33Å; L365-A368 PolarHBondContact O-N 2.98Å; L365-K369 PolarHBondContact O-N 3.48Å
366	C	92.6	Very high	90.8	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-39.6	174.4	-65.8	0	0	0	0	111.8	V362 K369 V370 L395 F406 F411 I426	V362-C366 PolarHBondContact O-N 3.08Å; V362-C366 PolarHBondContact O-SG 3.42Å; C366-K369 PolarHBondContact O-N 2.97Å; C366-V370 WeakPolarHBondContact O-CB 3.13Å; C366-V370 WeakPolarHBondContact O-CG2 3.5Å; C366-V370 PolarHBondContact O-N 3.33Å; C366-L395 HydrophobicContact CB-CD2 3.69Å; C366-F406 HydrophobicContact CB-CE1 4.43Å; C366-F406 HydrophobicContact CB-CZ 4.01Å; C366-F411 HydrophobicContact CB-CE2 3.87Å; C366-F411 HydrophobicContact CB-CZ 4.05Å; C366-I426 HydrophobicContact CB-CD1 3.94Å
367	F	93.8	Very high	91.5	Very high	77 Å²	77	50.4 Å²	50.4	34%	0.338	25%	0.25	S	C	.	.	H	α-helix	trans	-64.9	-40.3	176.2	-176.2	-89.7	0	0	0	112.4	E363 N364 L365 S371 F411 K414 F415	E363-F367 WeakPolarHBondContact O-CB 3.48Å; E363-F367 PolarHBondContact O-N 3.26Å; N364-F367 PolarHBondContact O-N 2.98Å; L365-F367 VanDerWaalsContact C-N 3.3Å; L365-F367 PolarHBondContact O-N 3.33Å; F367-S371 WeakPolarHBondContact O-CB 3.46Å; F367-S371 PolarHBondContact O-N 3.24Å; F367-S371 PolarHBondContact O-OG 3.25Å; F367-F411 HydrophobicContact CB-CE2 4.02Å; F367-F411 HydrophobicContact CB-CZ 4.43Å; F367-K414 HydrophobicContact CD2-CD 3.76Å; F367-K414 HydrophobicContact CE2-CB 4.21Å; F367-K414 HydrophobicContact CE2-CD 3.81Å; F367-F415 HydrophobicContact CD2-CE1 4.36Å; F367-F415 AromaticContact CD2-CE2 3.75Å; F367-F415 HydrophobicContact CD2-CE2 3.75Å; F367-F415 AromaticContact CD2-CZ 3.35Å; F367-F415 HydrophobicContact CD2-CZ 3.35Å; F367-F415 HydrophobicContact CE2-CE1 4.03Å; F367-F415 AromaticContact CE2-CE2 3.98Å; F367-F415 HydrophobicContact CE2-CE2 3.98Å; F367-F415 AromaticContact CE2-CZ 3.41Å; F367-F415 HydrophobicContact CE2-CZ 3.41Å; F367-F415 VanDerWaalsContact CE2-CZ 3.41Å; F367-F415 HydrophobicContact CG-CZ 4.23Å; F367-F415 HydrophobicContact CZ-CZ 4.34Å
368	A	94.1	Very high	91.9	Very high	51 Å²	51	49 Å²	49	42%	0.421	24%	0.243	S	C	.	.	H	α-helix	trans	-63.6	-48.9	174.8	0	0	0	0	0	111.5	N364 L365 V370 S371 E372	N364-A368 PolarHBondContact O-N 2.8Å; L365-A368 PolarHBondContact O-N 2.98Å; A368-V370 PolarHBondContact O-N 2.98Å; A368-S371 WeakPolarHBondContact O-CB 3.41Å; A368-S371 PolarHBondContact O-N 2.96Å; A368-S371 VanDerWaalsContact O-N 3.08Å; A368-E372 WeakPolarHBondContact O-CB 3.32Å; A368-E372 PolarHBondContact O-N 2.76Å
369	K	94.2	Very high	92.3	Very high	40 Å²	40	56.4 Å²	56.4	17%	0.174	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-38.2	179.3	-74.3	-77.6	151.2	-160.9	0	113.2	L365 C366 E372 M373 L395	L365-K369 PolarHBondContact O-N 3.48Å; C366-K369 PolarHBondContact O-N 2.97Å; K369-E372 WeakPolarHBondContact CD-OE2 3.42Å; K369-E372 WeakPolarHBondContact CE-OE2 3.15Å; K369-E372 IonicContact NZ-OE1 3.6Å; K369-E372 PolarHBondContact NZ-OE1 2.69Å; K369-E372 IonicContact NZ-OE2 3.55Å; K369-E372 PolarHBondContact NZ-OE2 3.49Å; K369-E372 PolarHBondContact O-N 2.84Å; K369-M373 WeakPolarHBondContact O-CE 3.42Å; K369-M373 PolarHBondContact O-N 3.26Å; K369-M373 VanDerWaalsContact O-N 3.14Å; K369-L395 HydrophobicContact CB-CD1 4.05Å
370	V	95	Very high	92.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-69	-33.7	172.8	173.9	0	0	0	0	111.9	C366 A368 M373 L374 I393 L395 F411 F415 I425	C366-V370 WeakPolarHBondContact O-CB 3.13Å; C366-V370 WeakPolarHBondContact O-CG2 3.5Å; C366-V370 PolarHBondContact O-N 3.33Å; A368-V370 PolarHBondContact O-N 2.98Å; V370-M373 HydrophobicContact CG2-CE 4.28Å; V370-L374 HydrophobicContact CG1-CD1 4.19Å; V370-L374 WeakPolarHBondContact O-CD1 3.2Å; V370-L374 VanDerWaalsContact O-CG 3.31Å; V370-L374 WeakPolarHBondContact O-CG 3.47Å; V370-L374 PolarHBondContact O-N 3.41Å; V370-L374 VanDerWaalsContact O-N 3.13Å; V370-I393 HydrophobicContact CG1-CD1 4.39Å; V370-I393 HydrophobicContact CG1-CG2 4.38Å; V370-I393 HydrophobicContact CG2-CG2 4.35Å; V370-L395 HydrophobicContact CG2-CB 4.48Å; V370-L395 HydrophobicContact CG2-CD2 4.41Å; V370-F411 HydrophobicContact CB-CZ 4.46Å; V370-F411 HydrophobicContact CG2-CE1 4.17Å; V370-F411 HydrophobicContact CG2-CZ 4.1Å; V370-F415 HydrophobicContact CB-CE1 4.29Å; V370-F415 HydrophobicContact CB-CZ 3.97Å; V370-F415 HydrophobicContact CG1-CD1 3.91Å; V370-F415 HydrophobicContact CG1-CD2 4.39Å; V370-F415 HydrophobicContact CG1-CE1 3.51Å; V370-F415 HydrophobicContact CG1-CE2 4.05Å; V370-F415 HydrophobicContact CG1-CG 4.32Å; V370-F415 HydrophobicContact CG1-CZ 3.57Å; V370-I425 HydrophobicContact CG1-CG2 4.16Å; V370-I425 HydrophobicContact CG2-CG2 3.83Å
371	S	95.4	Very high	92.5	Very high	20 Å²	20	54.9 Å²	54.9	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-69.2	-40.2	174.9	-57.9	0	0	0	0	112.3	F367 A368 L374 E375	F367-S371 WeakPolarHBondContact O-CB 3.46Å; F367-S371 PolarHBondContact O-N 3.24Å; F367-S371 PolarHBondContact O-OG 3.25Å; A368-S371 WeakPolarHBondContact O-CB 3.41Å; A368-S371 PolarHBondContact O-N 2.96Å; A368-S371 VanDerWaalsContact O-N 3.08Å; S371-L374 WeakPolarHBondContact O-CB 3.36Å; S371-L374 PolarHBondContact O-N 3.44Å; S371-L374 VanDerWaalsContact O-N 3.16Å; S371-E375 PolarHBondContact O-N 3Å
372	E	95.6	Very high	92.5	Very high	95 Å²	95	58 Å²	58	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-48.2	174.5	-175.2	-179.5	169.1	0	0	111.7	A368 K369 L374 E375 E376	A368-E372 WeakPolarHBondContact O-CB 3.32Å; A368-E372 PolarHBondContact O-N 2.76Å; K369-E372 WeakPolarHBondContact CD-OE2 3.42Å; K369-E372 WeakPolarHBondContact CE-OE2 3.15Å; K369-E372 IonicContact NZ-OE1 3.6Å; K369-E372 PolarHBondContact NZ-OE1 2.69Å; K369-E372 IonicContact NZ-OE2 3.55Å; K369-E372 PolarHBondContact NZ-OE2 3.49Å; K369-E372 PolarHBondContact O-N 2.84Å; E372-L374 VanDerWaalsContact C-N 3.3Å; E372-L374 PolarHBondContact O-N 2.88Å; E372-E375 PolarHBondContact O-N 2.75Å; E372-E376 PolarHBondContact O-N 3.3Å
373	M	95.1	Very high	92.1	Very high	7 Å²	7	61.2 Å²	61.2	3%	0.034	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-31.2	174.1	-72.5	-175.6	-78.2	0	0	113.3	F338 Q340 K369 V370 A377 I393 L395	F338-M373 HydrophobicContact CB-CB 4.19Å; F338-M373 HydrophobicContact CB-CG 4.15Å; F338-M373 HydrophobicContact CB-SD 3.82Å; Q340-M373 HydrophobicContact CB-CE 4.18Å; Q340-M373 HydrophobicContact CB-SD 3.86Å; K369-M373 WeakPolarHBondContact O-CE 3.42Å; K369-M373 PolarHBondContact O-N 3.26Å; K369-M373 VanDerWaalsContact O-N 3.14Å; V370-M373 HydrophobicContact CG2-CE 4.28Å; M373-A377 WeakPolarHBondContact O-CB 3.48Å; M373-A377 PolarHBondContact O-N 3.48Å; M373-I393 HydrophobicContact CB-CD1 4.1Å; M373-I393 HydrophobicContact CE-CG2 3.62Å; M373-I393 HydrophobicContact SD-CG2 4.05Å; M373-L395 HydrophobicContact CE-CD1 3.83Å
374	L	94.6	Very high	91.8	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-70.6	-41.1	173.9	-75	163.9	0	0	0	112	V370 S371 E372 E376 A377 E378 P391 I393 F415 R418 V419	V370-L374 HydrophobicContact CG1-CD1 4.19Å; V370-L374 WeakPolarHBondContact O-CD1 3.2Å; V370-L374 VanDerWaalsContact O-CG 3.31Å; V370-L374 WeakPolarHBondContact O-CG 3.47Å; V370-L374 PolarHBondContact O-N 3.41Å; V370-L374 VanDerWaalsContact O-N 3.13Å; S371-L374 WeakPolarHBondContact O-CB 3.36Å; S371-L374 PolarHBondContact O-N 3.44Å; S371-L374 VanDerWaalsContact O-N 3.16Å; E372-L374 VanDerWaalsContact C-N 3.3Å; E372-L374 PolarHBondContact O-N 2.88Å; L374-E376 VanDerWaalsContact C-N 3.31Å; L374-E376 PolarHBondContact O-N 3.43Å; L374-A377 PolarHBondContact O-N 3.2Å; L374-E378 WeakPolarHBondContact O-CB 3.32Å; L374-E378 WeakPolarHBondContact O-CG 3.49Å; L374-E378 PolarHBondContact O-N 3.44Å; L374-P391 HydrophobicContact CD2-CG 3.79Å; L374-I393 HydrophobicContact CD1-CD1 4.41Å; L374-I393 HydrophobicContact CD2-CD1 3.59Å; L374-I393 HydrophobicContact CG-CD1 3.54Å; L374-F415 HydrophobicContact CD1-CD1 3.73Å; L374-F415 HydrophobicContact CD1-CE1 3.83Å; L374-R418 HydrophobicContact CD1-CB 4.17Å; L374-R418 HydrophobicContact CD2-CB 4.12Å; L374-V419 HydrophobicContact CD2-CG1 4.06Å
375	E	94.4	Very high	91.4	Very high	112 Å²	112	62 Å²	62	52%	0.523	33%	0.327	S	S	.	.	H	α-helix	trans	-66.8	-31.2	175	-72.5	-179.9	-153.8	0	0	112.7	S371 E372 R379	S371-E375 PolarHBondContact O-N 3Å; E372-E375 PolarHBondContact O-N 2.75Å; E375-R379 WeakPolarHBondContact O-CB 3.4Å; E375-R379 PolarHBondContact O-N 2.93Å; E375-R379 VanDerWaalsContact O-N 3.15Å
376	E	92.5	Very high	91.3	Very high	102 Å²	102	65.6 Å²	65.6	48%	0.477	35%	0.347	S	S	.	.	H	α-helix	trans	-69.6	-44.6	170.6	-172.7	166.7	-147.5	0	0	111.8	F338 E372 L374 E378 R379 E380	F338-E376 HydrophobicContact CE1-CB 4.36Å; F338-E376 HydrophobicContact CE1-CG 3.83Å; F338-E376 HydrophobicContact CZ-CG 4.19Å; E372-E376 PolarHBondContact O-N 3.3Å; L374-E376 VanDerWaalsContact C-N 3.31Å; L374-E376 PolarHBondContact O-N 3.43Å; E376-E378 PolarHBondContact O-N 2.97Å; E376-R379 WeakPolarHBondContact O-CB 3.43Å; E376-R379 PolarHBondContact O-N 3Å; E376-R379 VanDerWaalsContact O-N 3.15Å; E376-E380 PolarHBondContact O-N 2.92Å
377	A	92.5	Very high	91.2	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-59	-46.7	176.3	0	0	0	0	0	112.5	Q336 F338 M373 L374 R379 R381 P391	Q336-A377 PolarHBondContact NE2-O 2.55Å; Q336-A377 PolarHBondContact OE1-O 3.17Å; F338-A377 HydrophobicContact CD2-CB 4.13Å; F338-A377 HydrophobicContact CE2-CB 3.49Å; F338-A377 VanDerWaalsContact CE2-CB 3.49Å; F338-A377 HydrophobicContact CZ-CB 4.19Å; M373-A377 WeakPolarHBondContact O-CB 3.48Å; M373-A377 PolarHBondContact O-N 3.48Å; L374-A377 PolarHBondContact O-N 3.2Å; A377-R379 VanDerWaalsContact C-N 3.3Å; A377-R379 PolarHBondContact O-N 3.49Å; A377-R381 VanDerWaalsContact O-CB 3.23Å; A377-R381 WeakPolarHBondContact O-CB 3.4Å; A377-R381 PolarHBondContact O-N 2.94Å; A377-P391 HydrophobicContact CB-CB 3.95Å; A377-P391 HydrophobicContact CB-CG 3.76Å
378	E	91.7	Very high	91.2	Very high	92 Å²	92	64 Å²	64	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-33.4	176.1	-72	174	-148.1	0	0	112.2	L374 E376 L382 R418	L374-E378 WeakPolarHBondContact O-CB 3.32Å; L374-E378 WeakPolarHBondContact O-CG 3.49Å; L374-E378 PolarHBondContact O-N 3.44Å; E376-E378 PolarHBondContact O-N 2.97Å; E378-L382 WeakPolarHBondContact O-CG 3.37Å; E378-L382 PolarHBondContact O-N 2.89Å; E378-R418 IonicContact OE1-CZ 3.14Å; E378-R418 IonicContact OE1-NE 3.48Å; E378-R418 IonicContact OE1-NH2 3.61Å; E378-R418 PolarHBondContact OE1-NH2 3.13Å
379	R	91.6	Very high	91	Very high	172 Å²	172	69.6 Å²	69.6	65%	0.649	36%	0.361	S	S	*	.	H	α-helix	trans	-71.4	-44.7	177.1	-174.4	-170.4	-47.8	-124.3	-2.4	113.3	E375 E376 A377 R381	E375-R379 WeakPolarHBondContact O-CB 3.4Å; E375-R379 PolarHBondContact O-N 2.93Å; E375-R379 VanDerWaalsContact O-N 3.15Å; E376-R379 WeakPolarHBondContact O-CB 3.43Å; E376-R379 PolarHBondContact O-N 3Å; E376-R379 VanDerWaalsContact O-N 3.15Å; A377-R379 VanDerWaalsContact C-N 3.3Å; A377-R379 PolarHBondContact O-N 3.49Å; R379-R381 VanDerWaalsContact C-N 3.34Å
380	E	88.8	Confident	91	Very high	80 Å²	80	69.8 Å²	69.8	37%	0.374	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-43.1	172.9	-91.6	-152.7	124.8	0	0	111.5	K311 Q336 E376 L382 G383 C384	K311-E380 IonicContact NZ-OE1 3.87Å; K311-E380 PolarHBondContact NZ-OE1 3.14Å; Q336-E380 PolarHBondContact NE2-OE2 3.32Å; E376-E380 PolarHBondContact O-N 2.92Å; E380-L382 VanDerWaalsContact C-N 3.28Å; E380-L382 PolarHBondContact O-N 3.16Å; E380-G383 WeakPolarHBondContact O-CA 3.35Å; E380-G383 PolarHBondContact O-N 2.97Å; E380-C384 PolarHBondContact O-N 3.31Å
381	R	89.2	Confident	91.1	Very high	44 Å²	44	70 Å²	70	17%	0.166	36%	0.363	C	S	.	.	H	α-helix	trans	-57	-36.6	179.6	168.5	-177.4	-51.1	-62.4	-13.2	113.6	A377 R379 G383 C384 T387 P388 E389	A377-R381 VanDerWaalsContact O-CB 3.23Å; A377-R381 WeakPolarHBondContact O-CB 3.4Å; A377-R381 PolarHBondContact O-N 2.94Å; R379-R381 VanDerWaalsContact C-N 3.34Å; R381-G383 PolarHBondContact O-N 3.08Å; R381-C384 CarbonylContact O-C 3.56Å; R381-C384 PolarHBondContact O-N 3.5Å; R381-T387 PolarHBondContact NH1-O 3.13Å; R381-T387 PolarHBondContact NH1-OG1 2.8Å; R381-P388 VanDerWaalsContact CZ-O 3.28Å; R381-P388 VanDerWaalsContact NH1-C 3.3Å; R381-P388 PolarHBondContact NH1-O 2.76Å; R381-P388 PolarHBondContact NH2-O 3.02Å; R381-E389 VanDerWaalsContact CZ-O 3.27Å; R381-E389 VanDerWaalsContact NH1-CA 3.29Å; R381-E389 PolarHBondContact NH2-O 2.72Å; R381-E389 VanDerWaalsContact NH2-O 3.13Å
382	L	87.6	Confident	91.1	Very high	154 Å²	154	69.1 Å²	69.1	81%	0.806	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-24.7	174.2	-78.1	161.7	0	0	0	113	E378 E380	E378-L382 WeakPolarHBondContact O-CG 3.37Å; E378-L382 PolarHBondContact O-N 2.89Å; E380-L382 VanDerWaalsContact C-N 3.28Å; E380-L382 PolarHBondContact O-N 3.16Å
383	G	82.4	Confident	91.2	Very high	71 Å²	71	64.6 Å²	64.6	73%	0.732	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-10.3	171.4	0	0	0	0	0	114.9	E380 R381	E380-G383 WeakPolarHBondContact O-CA 3.35Å; E380-G383 PolarHBondContact O-N 2.97Å; R381-G383 PolarHBondContact O-N 3.08Å
384	C	83.6	Confident	91.2	Very high	31 Å²	31	65.7 Å²	65.7	21%	0.209	34%	0.339	C	S	.	.			trans	-149.3	84.6	-173.9	-158.3	0	0	0	0	112.9	E380 R381 L386 T387	E380-C384 PolarHBondContact O-N 3.31Å; R381-C384 CarbonylContact O-C 3.56Å; R381-C384 PolarHBondContact O-N 3.5Å; C384-L386 PolarHBondContact O-N 2.95Å; C384-T387 HydrophobicContact CB-CG2 4.04Å; C384-T387 PolarHBondContact O-N 3.16Å; C384-T387 VanDerWaalsContact O-N 3.15Å; C384-T387 PolarHBondContact O-OG1 3.28Å
385	P	83.3	Confident	91.2	Very high	120 Å²	120	65.6 Å²	65.6	78%	0.779	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-0.9	-174.5	30.1	-37.1	0	0	0	115
386	L	89.3	Confident	91.2	Very high	106 Å²	106	63.2 Å²	63.2	56%	0.555	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.2	172.4	-68.9	169.5	0	0	0	113	K332 T333 C384	K332-L386 HydrophobicContact CB-CB 4.09Å; K332-L386 HydrophobicContact CB-CD1 4.09Å; K332-L386 HydrophobicContact CD-CD1 3.99Å; K332-L386 CarbonylContact O-C 3.4Å; T333-L386 HydrophobicContact CG2-CB 4.45Å; C384-L386 PolarHBondContact O-N 2.95Å
387	T	90.5	Very high	91.2	Very high	20 Å²	20	58.3 Å²	58.3	12%	0.123	30%	0.302	C	S	.	.	S	Bend	trans	-70.5	133.7	179.1	52.8	0	0	0	0	111.1	K332 R381 C384	K332-T387 WeakPolarHBondContact O-CA 3.3Å; K332-T387 WeakPolarHBondContact O-CG2 3.44Å; K332-T387 PolarHBondContact O-N 3.01Å; R381-T387 PolarHBondContact NH1-O 3.13Å; R381-T387 PolarHBondContact NH1-OG1 2.8Å; C384-T387 HydrophobicContact CB-CG2 4.04Å; C384-T387 PolarHBondContact O-N 3.16Å; C384-T387 VanDerWaalsContact O-N 3.15Å; C384-T387 PolarHBondContact O-OG1 3.28Å
388	P	93	Very high	91.2	Very high	23 Å²	23	58.8 Å²	58.8	15%	0.149	31%	0.305	C	S	.	.			trans	-60	137.1	177.3	-26.6	34.2	0	0	0	113.3	T333 R335 R381 K390	T333-P388 WeakPolarHBondContact O-CD 3.2Å; T333-P388 VanDerWaalsContact O-CG 3.32Å; T333-P388 WeakPolarHBondContact O-CG 3.37Å; R335-P388 HydrophobicContact CB-CB 4.43Å; R335-P388 HydrophobicContact CB-CG 4.23Å; R335-P388 HydrophobicContact CG-CB 4.4Å; R381-P388 VanDerWaalsContact CZ-O 3.28Å; R381-P388 VanDerWaalsContact NH1-C 3.3Å; R381-P388 PolarHBondContact NH1-O 2.76Å; R381-P388 PolarHBondContact NH2-O 3.02Å; P388-K390 PolarHBondContact O-N 2.94Å
389	E	91.3	Very high	91.1	Very high	169 Å²	169	57.5 Å²	57.5	79%	0.79	30%	0.296	S	S	*	.	S	Bend	trans	-56.3	-41.5	-165.3	-69.4	-171.6	157	0	0	116.2	R381 P391	R381-E389 VanDerWaalsContact CZ-O 3.27Å; R381-E389 VanDerWaalsContact NH1-CA 3.29Å; R381-E389 PolarHBondContact NH2-O 2.72Å; R381-E389 VanDerWaalsContact NH2-O 3.13Å; E389-P391 WeakPolarHBondContact O-CD 3.39Å
390	K	94.6	Very high	90.8	Very high	44 Å²	44	50.4 Å²	50.4	19%	0.191	27%	0.273	C	S	.	.	S	Bend	trans	-97.6	112.7	-176.2	-60.9	-173.5	-179.9	-168.3	0	110.3	I61 R335 P388 V416 D417 A420	I61-K390 HydrophobicContact CD1-CD 4.12Å; I61-K390 HydrophobicContact CG2-CB 4.39Å; I61-K390 HydrophobicContact CG2-CD 4.24Å; R335-K390 VanDerWaalsContact CD-O 3.32Å; R335-K390 WeakPolarHBondContact CD-O 3.43Å; R335-K390 WeakPolarHBondContact CG-O 3.34Å; R335-K390 PolarHBondContact NH1-O 2.76Å; P388-K390 PolarHBondContact O-N 2.94Å; K390-V416 PolarHBondContact NZ-O 3.14Å; K390-D417 WeakPolarHBondContact CE-O 3.44Å; K390-D417 IonicContact NZ-OD1 2.96Å; K390-D417 PolarHBondContact NZ-OD1 3.13Å; K390-A420 HydrophobicContact CB-CB 4.13Å; K390-A420 WeakPolarHBondContact O-CB 3.22Å
391	P	95.9	Very high	90.3	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.032	29%	0.286	C	S	.	.			trans	-68.7	164.9	175.9	29.5	-37.7	0	0	0	112.8	Q336 L374 A377 E389 I393 R418 V419 A420	Q336-P391 HydrophobicContact CB-CB 4.25Å; L374-P391 HydrophobicContact CD2-CG 3.79Å; A377-P391 HydrophobicContact CB-CB 3.95Å; A377-P391 HydrophobicContact CB-CG 3.76Å; E389-P391 WeakPolarHBondContact O-CD 3.39Å; P391-I393 HydrophobicContact CG-CD1 4.39Å; P391-I393 HydrophobicContact CG-CG1 4.48Å; P391-R418 WeakPolarHBondContact CD-O 3.48Å; P391-V419 WeakPolarHBondContact O-CA 3.46Å; P391-A420 PolarHBondContact O-N 3.07Å
392	L	96.2	Very high	90	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.3	163	-61.6	167.4	0	0	0	108.9	A301 L304 R335 Q336 F337 F338 A420 N421	A301-L392 HydrophobicContact CB-CD1 4.05Å; L304-L392 HydrophobicContact CD2-CB 4.38Å; R335-L392 HydrophobicContact CG-CG 4.25Å; Q336-L392 PolarHBondContact O-N 3.03Å; F337-L392 WeakPolarHBondContact CA-O 3.22Å; F337-L392 HydrophobicContact CB-CB 4.01Å; F337-L392 HydrophobicContact CB-CD1 4.35Å; F337-L392 HydrophobicContact CD2-CB 3.78Å; F337-L392 HydrophobicContact CG-CB 4.13Å; F338-L392 PolarHBondContact N-O 3.27Å; L392-A420 HydrophobicContact CD2-CB 3.84Å; L392-N421 WeakPolarHBondContact CA-OD1 3.31Å; L392-N421 HydrophobicContact CD2-CB 3.72Å
393	I	96.3	Very high	89.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.4	178.5	-62.1	-175.6	0	0	0	110.3	F338 V370 M373 L374 P391 V419 N421 I425	F338-I393 CarbonylContact O-C 3.56Å; F338-I393 WeakPolarHBondContact O-CA 3.48Å; V370-I393 HydrophobicContact CG1-CD1 4.39Å; V370-I393 HydrophobicContact CG1-CG2 4.38Å; V370-I393 HydrophobicContact CG2-CG2 4.35Å; M373-I393 HydrophobicContact CB-CD1 4.1Å; M373-I393 HydrophobicContact CE-CG2 3.62Å; M373-I393 HydrophobicContact SD-CG2 4.05Å; L374-I393 HydrophobicContact CD1-CD1 4.41Å; L374-I393 HydrophobicContact CD2-CD1 3.59Å; L374-I393 HydrophobicContact CG-CD1 3.54Å; P391-I393 HydrophobicContact CG-CD1 4.39Å; P391-I393 HydrophobicContact CG-CG1 4.48Å; I393-V419 HydrophobicContact CB-CG1 4.36Å; I393-V419 HydrophobicContact CD1-CG1 3.9Å; I393-V419 HydrophobicContact CG1-CG1 4.14Å; I393-N421 PolarHBondContact N-OD1 3.48Å; I393-N421 PolarHBondContact O-ND2 2.87Å; I393-I425 HydrophobicContact CG2-CG2 4.3Å
394	R	95.6	Very high	89.9	Confident	30 Å²	30	47.1 Å²	47.1	11%	0.113	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	109.4	174.8	-171.2	67.7	157.4	-171.2	-3.8	110.8	L304 F337 F338 I339 Q340 R396 D424 I425 H427	L304-R394 HydrophobicContact CB-CB 4.3Å; L304-R394 HydrophobicContact CB-CG 4.11Å; F337-R394 HydrophobicContact CE2-CB 3.81Å; F337-R394 HydrophobicContact CZ-CB 4.26Å; F338-R394 PolarHBondContact O-N 3.05Å; I339-R394 VanDerWaalsContact CA-O 3.29Å; I339-R394 WeakPolarHBondContact CA-O 3.44Å; I339-R394 HydrophobicContact CB-CB 4.47Å; I339-R394 HydrophobicContact CD1-CB 4.43Å; I339-R394 HydrophobicContact CD1-CG 4.35Å; I339-R394 HydrophobicContact CG1-CB 4.1Å; I339-R394 HydrophobicContact CG1-CG 4.37Å; I339-R394 WeakPolarHBondContact CG1-O 3.48Å; Q340-R394 PolarHBondContact N-O 3.39Å; R394-R396 HydrophobicContact CG-CG 4.27Å; R394-D424 WeakPolarHBondContact CD-O 3.36Å; R394-D424 IonicContact CZ-OD1 2.95Å; R394-D424 VanDerWaalsContact NH1-CB 3.34Å; R394-D424 PolarHBondContact NH1-O 3.22Å; R394-D424 IonicContact NH1-OD1 3.25Å; R394-D424 PolarHBondContact NH1-OD1 3.31Å; R394-D424 IonicContact NH2-OD1 3.35Å; R394-I425 CarbonylContact C-O 3.6Å; R394-I425 WeakPolarHBondContact CA-O 3.38Å; R394-H427 PolarHBondContact NH2-CD2 3.12Å
395	L	95.3	Very high	90.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.8	171.3	-164.5	74.4	0	0	0	109.1	Q340 V342 C366 K369 V370 M373 V397 I425 I426 H427	Q340-L395 HydrophobicContact CB-CD1 4.09Å; Q340-L395 HydrophobicContact CG-CD1 4.39Å; Q340-L395 CarbonylContact O-C 2.99Å; Q340-L395 WeakPolarHBondContact O-CA 3.21Å; V342-L395 HydrophobicContact CG2-CD1 3.68Å; V342-L395 HydrophobicContact CG2-CG 4.19Å; C366-L395 HydrophobicContact CB-CD2 3.69Å; K369-L395 HydrophobicContact CB-CD1 4.05Å; V370-L395 HydrophobicContact CG2-CB 4.48Å; V370-L395 HydrophobicContact CG2-CD2 4.41Å; M373-L395 HydrophobicContact CE-CD1 3.83Å; L395-V397 HydrophobicContact CD2-CG2 3.89Å; L395-V397 HydrophobicContact CG-CG2 4.02Å; L395-I425 PolarHBondContact N-O 3.41Å; L395-I426 HydrophobicContact CB-CG1 4.28Å; L395-I426 HydrophobicContact CD2-CD1 4.41Å; L395-I426 WeakPolarHBondContact O-CA 3.47Å; L395-H427 PolarHBondContact O-N 3.18Å
396	R	94.5	Very high	90.4	Very high	61 Å²	61	44.3 Å²	44.3	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	108.6	176.7	-55.3	-167.1	-61.5	-177.6	4.7	109.1	I339 Q340 D341 V342 R394 H427 L429	I339-R396 HydrophobicContact CD1-CG 4.45Å; I339-R396 HydrophobicContact CG1-CG 4.49Å; Q340-R396 PolarHBondContact O-N 2.89Å; D341-R396 WeakPolarHBondContact CA-O 3.43Å; D341-R396 VanDerWaalsContact CG-NH2 3.25Å; D341-R396 WeakPolarHBondContact OD1-CB 3.23Å; D341-R396 IonicContact OD1-CZ 2.69Å; D341-R396 VanDerWaalsContact OD1-CZ 3.24Å; D341-R396 IonicContact OD1-NE 2.64Å; D341-R396 PolarHBondContact OD1-NE 3.18Å; D341-R396 IonicContact OD1-NH2 3.45Å; D341-R396 PolarHBondContact OD1-NH2 3.32Å; D341-R396 IonicContact OD2-CZ 2.67Å; D341-R396 IonicContact OD2-NE 3.83Å; D341-R396 IonicContact OD2-NH2 2.64Å; D341-R396 PolarHBondContact OD2-NH2 3.08Å; V342-R396 PolarHBondContact N-O 3.35Å; R394-R396 HydrophobicContact CG-CG 4.27Å; R396-H427 CarbonylContact C-O 3.21Å; R396-H427 WeakPolarHBondContact CA-O 3.41Å; R396-H427 HydrophobicContact CG-CB 4.42Å; R396-L429 HydrophobicContact CB-CD1 3.97Å
397	V	93.1	Very high	90.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.9	-173.3	-177.1	0	0	0	0	109.6	V342 L344 L395 Y399 I426 H427 F428 L429	V342-V397 CarbonylContact O-C 3.55Å; V342-V397 VanDerWaalsContact O-CA 3.31Å; V342-V397 WeakPolarHBondContact O-CA 3.39Å; L344-V397 HydrophobicContact CD1-CG1 3.93Å; L344-V397 HydrophobicContact CD2-CG1 3.86Å; L344-V397 HydrophobicContact CG-CG1 3.8Å; L395-V397 HydrophobicContact CD2-CG2 3.89Å; L395-V397 HydrophobicContact CG-CG2 4.02Å; V397-Y399 PolarHBondContact O-N 3.21Å; V397-I426 HydrophobicContact CG2-CG2 4.18Å; V397-H427 PolarHBondContact N-O 2.91Å; V397-F428 HydrophobicContact CB-CD1 3.9Å; V397-F428 HydrophobicContact CB-CE1 4.1Å; V397-F428 HydrophobicContact CG1-CD1 4.15Å; V397-F428 HydrophobicContact CG1-CE1 4.13Å; V397-F428 HydrophobicContact CG2-CE1 4.5Å; V397-F428 WeakPolarHBondContact O-CA 3.41Å; V397-L429 PolarHBondContact O-N 2.86Å
398	D	92.5	Very high	90.4	Very high	11 Å²	11	45.9 Å²	45.9	6%	0.059	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	107.4	172.8	-179.9	14.5	0	0	0	110.1	V342 V343 L344 S400 L429 K431	V342-D398 PolarHBondContact O-N 3.08Å; V343-D398 HydrophobicContact CB-CB 4.46Å; V343-D398 HydrophobicContact CG1-CB 4.42Å; V343-D398 HydrophobicContact CG2-CB 4.18Å; L344-D398 PolarHBondContact N-O 3.46Å; D398-S400 VanDerWaalsContact OD1-CB 3.3Å; D398-S400 WeakPolarHBondContact OD1-CB 3.46Å; D398-S400 PolarHBondContact OD1-N 3.3Å; D398-S400 PolarHBondContact OD1-OG 3.37Å; D398-L429 CarbonylContact C-O 3.56Å; D398-L429 VanDerWaalsContact CA-O 3.27Å; D398-L429 WeakPolarHBondContact CA-O 3.44Å; D398-K431 PolarHBondContact OD1-N 3.14Å; D398-K431 WeakPolarHBondContact OD2-CD 3.08Å; D398-K431 VanDerWaalsContact OD2-CE 3.26Å; D398-K431 WeakPolarHBondContact OD2-CE 3.28Å; D398-K431 WeakPolarHBondContact OD2-CG 3.09Å; D398-K431 IonicContact OD2-NZ 2.8Å; D398-K431 PolarHBondContact OD2-NZ 3.25Å
399	Y	89.7	Confident	90.2	Very high	64 Å²	64	48.3 Å²	48.3	25%	0.251	28%	0.276	S	S	.	.			trans	-95.5	16.6	-176	69.4	-89.1	0	0	0	113.8	V397 F403 T405 F428 L429 R430	V397-Y399 PolarHBondContact O-N 3.21Å; Y399-F403 WeakPolarHBondContact CD2-O 3.43Å; Y399-T405 HydrophobicContact CD1-CG2 3.91Å; Y399-T405 HydrophobicContact CD2-CG2 4.21Å; Y399-T405 HydrophobicContact CE1-CG2 3.95Å; Y399-T405 HydrophobicContact CE2-CG2 4.23Å; Y399-T405 HydrophobicContact CG-CG2 4.07Å; Y399-F428 HydrophobicContact CD1-CB 3.77Å; Y399-F428 HydrophobicContact CD1-CD1 4.26Å; Y399-F428 HydrophobicContact CD1-CG 4.43Å; Y399-F428 HydrophobicContact CE1-CB 3.72Å; Y399-L429 WeakPolarHBondContact CD1-O 3.43Å; Y399-L429 VanDerWaalsContact CE1-C 3.5Å; Y399-L429 WeakPolarHBondContact CE1-O 3.37Å; Y399-L429 PolarHBondContact N-O 2.95Å; Y399-R430 HydrophobicContact CE1-CB 3.93Å; Y399-R430 HydrophobicContact CE2-CB 4.13Å
400	S	85.3	Confident	90.1	Very high	24 Å²	24	48.5 Å²	48.5	17%	0.168	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	144.7	167.9	-54.7	0	0	0	0	111.2	D398 F403 K431	D398-S400 VanDerWaalsContact OD1-CB 3.3Å; D398-S400 WeakPolarHBondContact OD1-CB 3.46Å; D398-S400 PolarHBondContact OD1-N 3.3Å; D398-S400 PolarHBondContact OD1-OG 3.37Å; S400-F403 WeakPolarHBondContact O-CD2 3.36Å; S400-K431 PolarHBondContact OG-N 2.98Å
401	G	78.3	Confident	90	Very high	62 Å²	62	46.5 Å²	46.5	64%	0.639	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.9	-2.6	-172.5	0	0	0	0	0	115.1	P353	P353-G401 WeakPolarHBondContact CG-O 3.3Å
402	G	81.3	Confident	89.7	Confident	63 Å²	63	47 Å²	47	65%	0.649	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.2	17.1	172.8	0	0	0	0	0	115.3
403	F	84.4	Confident	89.5	Confident	14 Å²	14	53.7 Å²	53.7	6%	0.061	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-75.6	142.8	176.3	-59.1	-81.1	0	0	0	112.2	L344 F351 P353 V358 Y399 S400	L344-F403 HydrophobicContact CB-CD2 3.54Å; L344-F403 HydrophobicContact CB-CE2 3.53Å; L344-F403 HydrophobicContact CB-CG 4.08Å; L344-F403 HydrophobicContact CB-CZ 4.07Å; L344-F403 HydrophobicContact CD1-CB 3.72Å; L344-F403 HydrophobicContact CD1-CD1 4.35Å; L344-F403 HydrophobicContact CD1-CD2 3.97Å; L344-F403 HydrophobicContact CD1-CG 3.76Å; L344-F403 HydrophobicContact CG-CD2 4.41Å; F351-F403 AromaticContact CD2-CE1 3.92Å; F351-F403 HydrophobicContact CD2-CE1 3.92Å; F351-F403 HydrophobicContact CE2-CE1 4.33Å; P353-F403 HydrophobicContact CG-CD1 4.38Å; P353-F403 HydrophobicContact CG-CE1 4Å; P353-F403 HydrophobicContact CG-CE2 4.47Å; P353-F403 HydrophobicContact CG-CZ 4.06Å; V358-F403 HydrophobicContact CG2-CD1 3.89Å; V358-F403 HydrophobicContact CG2-CE1 4.09Å; Y399-F403 WeakPolarHBondContact CD2-O 3.43Å; S400-F403 WeakPolarHBondContact O-CD2 3.36Å
404	E	84.9	Confident	89.3	Confident	141 Å²	141	57.9 Å²	57.9	66%	0.659	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-83	140.1	173.3	-66.1	-173	152.1	0	0	112.4	T359	T359-E404 HydrophobicContact CG2-CB 4.44Å
405	T	88.3	Confident	89.2	Confident	72 Å²	72	56.5 Å²	56.5	44%	0.442	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-79.2	139.3	172.8	56.7	0	0	0	0	111.8	Y399 F428	Y399-T405 HydrophobicContact CD1-CG2 3.91Å; Y399-T405 HydrophobicContact CD2-CG2 4.21Å; Y399-T405 HydrophobicContact CE1-CG2 3.95Å; Y399-T405 HydrophobicContact CE2-CG2 4.23Å; Y399-T405 HydrophobicContact CG-CG2 4.07Å; T405-F428 HydrophobicContact CG2-CB 3.85Å; T405-F428 HydrophobicContact CG2-CD1 3.83Å; T405-F428 HydrophobicContact CG2-CD2 3.87Å; T405-F428 HydrophobicContact CG2-CE1 4.35Å; T405-F428 HydrophobicContact CG2-CE2 4.36Å; T405-F428 HydrophobicContact CG2-CG 3.58Å
406	F	89.4	Confident	89	Confident	19 Å²	19	59.6 Å²	59.6	8%	0.083	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-94.2	165.3	173.7	59.1	-101.4	0	0	0	113.3	T359 V362 E363 C366 T408 F411 I426 F428	T359-F406 HydrophobicContact CG2-CB 4.13Å; V362-F406 HydrophobicContact CG1-CE1 4.16Å; E363-F406 HydrophobicContact CB-CD1 4.07Å; E363-F406 HydrophobicContact CB-CE1 4.13Å; E363-F406 HydrophobicContact CB-CG 4.4Å; E363-F406 HydrophobicContact CG-CD1 4.43Å; E363-F406 HydrophobicContact CG-CD2 4.28Å; E363-F406 HydrophobicContact CG-CE1 4.42Å; E363-F406 HydrophobicContact CG-CE2 4.27Å; E363-F406 HydrophobicContact CG-CG 4.36Å; E363-F406 HydrophobicContact CG-CZ 4.33Å; C366-F406 HydrophobicContact CB-CE1 4.43Å; C366-F406 HydrophobicContact CB-CZ 4.01Å; F406-T408 PolarHBondContact O-N 3.01Å; F406-T408 VanDerWaalsContact O-N 3.15Å; F406-F411 HydrophobicContact CD2-CB 4.28Å; F406-F411 HydrophobicContact CE2-CB 3.76Å; F406-F411 AromaticContact CE2-CD2 3.63Å; F406-F411 HydrophobicContact CE2-CD2 3.63Å; F406-F411 HydrophobicContact CE2-CE2 4.43Å; F406-F411 AromaticContact CE2-CG 3.8Å; F406-F411 HydrophobicContact CE2-CG 3.8Å; F406-F411 AromaticContact CZ-CD2 3.96Å; F406-F411 HydrophobicContact CZ-CD2 3.96Å; F406-F411 HydrophobicContact CZ-CE2 4.34Å; F406-F411 HydrophobicContact CZ-CG 4.46Å; F406-I426 HydrophobicContact CE2-CD1 3.84Å; F406-I426 HydrophobicContact CZ-CD1 3.57Å; F406-F428 HydrophobicContact CD1-CE1 4.48Å; F406-F428 AromaticContact CD1-CZ 3.87Å; F406-F428 HydrophobicContact CD1-CZ 3.87Å; F406-F428 HydrophobicContact CD2-CZ 4.16Å; F406-F428 HydrophobicContact CE1-CE1 4.21Å; F406-F428 AromaticContact CE1-CZ 3.76Å; F406-F428 HydrophobicContact CE1-CZ 3.76Å; F406-F428 HydrophobicContact CE2-CZ 4.04Å; F406-F428 HydrophobicContact CG-CZ 4.07Å; F406-F428 AromaticContact CZ-CZ 3.86Å; F406-F428 HydrophobicContact CZ-CZ 3.86Å; F406-F428 WeakPolarHBondContact O-CE2 3.45Å
407	N	89.4	Confident	88.8	Confident	105 Å²	105	62.9 Å²	62.9	56%	0.561	35%	0.349	S	S	*	.			trans	-68	109.5	179.6	-175	-69.7	0	0	0	111.6	S409 R410 F411	N407-S409 PolarHBondContact O-N 3.35Å; N407-S409 WeakPolarHBondContact OD1-CB 3.38Å; N407-S409 PolarHBondContact OD1-N 3.02Å; N407-S409 VanDerWaalsContact OD1-N 3.17Å; N407-R410 HydrophobicContact CB-CB 4.36Å; N407-R410 PolarHBondContact O-N 3.47Å; N407-R410 PolarHBondContact OD1-N 3.21Å; N407-F411 PolarHBondContact O-N 3.27Å
408	T	90.1	Very high	88.8	Confident	55 Å²	55	67.3 Å²	67.3	34%	0.337	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-38.1	-179	50.6	0	0	0	0	113	F406 R410 F411 S412 I426 F428	F406-T408 PolarHBondContact O-N 3.01Å; F406-T408 VanDerWaalsContact O-N 3.15Å; T408-R410 VanDerWaalsContact C-N 3.33Å; T408-R410 PolarHBondContact O-N 3.3Å; T408-F411 WeakPolarHBondContact O-CB 3.34Å; T408-F411 PolarHBondContact O-N 2.77Å; T408-F411 VanDerWaalsContact O-N 3.11Å; T408-S412 PolarHBondContact O-N 3.41Å; T408-S412 PolarHBondContact O-OG 3.45Å; T408-I426 HydrophobicContact CG2-CB 4.44Å; T408-F428 HydrophobicContact CG2-CD2 4.15Å; T408-F428 HydrophobicContact CG2-CE2 3.7Å
409	S	88.2	Confident	88.9	Confident	73 Å²	73	66.8 Å²	66.8	51%	0.51	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-34.3	179.2	-52.7	0	0	0	0	113.3	N407 S412 Q413	N407-S409 PolarHBondContact O-N 3.35Å; N407-S409 WeakPolarHBondContact OD1-CB 3.38Å; N407-S409 PolarHBondContact OD1-N 3.02Å; N407-S409 VanDerWaalsContact OD1-N 3.17Å; S409-S412 WeakPolarHBondContact CA-OG 3.49Å; S409-S412 PolarHBondContact O-OG 2.66Å; S409-S412 VanDerWaalsContact O-OG 3.1Å; S409-Q413 VanDerWaalsContact O-CG 3.32Å; S409-Q413 WeakPolarHBondContact O-CG 3.14Å; S409-Q413 PolarHBondContact O-N 2.99Å
410	R	90.1	Very high	89.1	Confident	173 Å²	173	64 Å²	64	65%	0.653	35%	0.353	S	S	*	.	H	α-helix	trans	-73.7	-32.9	173.1	-171.6	-178.5	-178	-171.4	1.5	112.1	N407 T408	N407-R410 HydrophobicContact CB-CB 4.36Å; N407-R410 PolarHBondContact O-N 3.47Å; N407-R410 PolarHBondContact OD1-N 3.21Å; T408-R410 VanDerWaalsContact C-N 3.33Å; T408-R410 PolarHBondContact O-N 3.3Å
411	F	91.4	Very high	89.6	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.009	35%	0.348	C	S	.	.	H	α-helix	trans	-68.8	-45.9	175	-176.5	-86	0	0	0	111.2	E363 C366 F367 V370 F406 N407 T408 Q413 K414 F415 I425 I426	E363-F411 HydrophobicContact CG-CD2 3.98Å; C366-F411 HydrophobicContact CB-CE2 3.87Å; C366-F411 HydrophobicContact CB-CZ 4.05Å; F367-F411 HydrophobicContact CB-CE2 4.02Å; F367-F411 HydrophobicContact CB-CZ 4.43Å; V370-F411 HydrophobicContact CB-CZ 4.46Å; V370-F411 HydrophobicContact CG2-CE1 4.17Å; V370-F411 HydrophobicContact CG2-CZ 4.1Å; F406-F411 HydrophobicContact CD2-CB 4.28Å; F406-F411 HydrophobicContact CE2-CB 3.76Å; F406-F411 AromaticContact CE2-CD2 3.63Å; F406-F411 HydrophobicContact CE2-CD2 3.63Å; F406-F411 HydrophobicContact CE2-CE2 4.43Å; F406-F411 AromaticContact CE2-CG 3.8Å; F406-F411 HydrophobicContact CE2-CG 3.8Å; F406-F411 AromaticContact CZ-CD2 3.96Å; F406-F411 HydrophobicContact CZ-CD2 3.96Å; F406-F411 HydrophobicContact CZ-CE2 4.34Å; F406-F411 HydrophobicContact CZ-CG 4.46Å; N407-F411 PolarHBondContact O-N 3.27Å; T408-F411 WeakPolarHBondContact O-CB 3.34Å; T408-F411 PolarHBondContact O-N 2.77Å; T408-F411 VanDerWaalsContact O-N 3.11Å; F411-Q413 VanDerWaalsContact C-N 3.35Å; F411-Q413 PolarHBondContact O-N 2.78Å; F411-K414 WeakPolarHBondContact O-CB 2.78Å; F411-K414 WeakPolarHBondContact O-CG 3.42Å; F411-K414 PolarHBondContact O-N 3.23Å; F411-F415 HydrophobicContact CD1-CD2 4.2Å; F411-F415 AromaticContact CD1-CE2 3.99Å; F411-F415 HydrophobicContact CD1-CE2 3.99Å; F411-F415 AromaticContact CE1-CD2 3.89Å; F411-F415 HydrophobicContact CE1-CD2 3.89Å; F411-F415 AromaticContact CE1-CE2 3.39Å; F411-F415 HydrophobicContact CE1-CE2 3.39Å; F411-F415 HydrophobicContact CE1-CZ 4.34Å; F411-F415 HydrophobicContact CE2-CE2 4.3Å; F411-F415 HydrophobicContact CZ-CD2 4.5Å; F411-F415 AromaticContact CZ-CE2 3.58Å; F411-F415 HydrophobicContact CZ-CE2 3.58Å; F411-F415 HydrophobicContact CZ-CZ 4.21Å; F411-F415 WeakPolarHBondContact O-CD2 3.35Å; F411-I425 HydrophobicContact CE1-CG2 4.11Å; F411-I426 HydrophobicContact CD1-CD1 3.61Å; F411-I426 HydrophobicContact CD1-CG1 4.11Å; F411-I426 HydrophobicContact CD2-CD1 4.16Å; F411-I426 HydrophobicContact CE1-CD1 3.47Å; F411-I426 VanDerWaalsContact CE1-CD1 3.47Å; F411-I426 HydrophobicContact CE1-CG1 3.95Å; F411-I426 HydrophobicContact CE2-CD1 4.03Å; F411-I426 HydrophobicContact CG-CD1 3.97Å; F411-I426 HydrophobicContact CZ-CD1 3.69Å
412	S	90.7	Very high	90.2	Very high	16 Å²	16	62 Å²	62	11%	0.112	33%	0.328	C	S	.	.	H	α-helix	trans	-68	-28.8	-176.9	57.6	0	0	0	0	114.7	T408 S409 K414 F415 V416 P422	T408-S412 PolarHBondContact O-N 3.41Å; T408-S412 PolarHBondContact O-OG 3.45Å; S409-S412 WeakPolarHBondContact CA-OG 3.49Å; S409-S412 PolarHBondContact O-OG 2.66Å; S409-S412 VanDerWaalsContact O-OG 3.1Å; S412-K414 PolarHBondContact O-N 3.17Å; S412-F415 PolarHBondContact O-N 2.96Å; S412-V416 PolarHBondContact O-N 3.28Å; S412-P422 WeakPolarHBondContact CB-O 3.45Å
413	Q	91.2	Very high	90.6	Very high	143 Å²	143	68 Å²	68	67%	0.668	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-29	171.1	-81.7	170.5	-1.6	0	0	113.1	S409 F411 F415	S409-Q413 VanDerWaalsContact O-CG 3.32Å; S409-Q413 WeakPolarHBondContact O-CG 3.14Å; S409-Q413 PolarHBondContact O-N 2.99Å; F411-Q413 VanDerWaalsContact C-N 3.35Å; F411-Q413 PolarHBondContact O-N 2.78Å; Q413-F415 PolarHBondContact O-N 3.22Å
414	K	91.4	Very high	90.9	Very high	87 Å²	87	70.8 Å²	70.8	38%	0.378	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.7	177.6	-52.9	175.8	-170	174.3	0	114	E363 F367 F411 S412	E363-K414 IonicContact OE1-NZ 2.7Å; E363-K414 PolarHBondContact OE1-NZ 2.87Å; F367-K414 HydrophobicContact CD2-CD 3.76Å; F367-K414 HydrophobicContact CE2-CB 4.21Å; F367-K414 HydrophobicContact CE2-CD 3.81Å; F411-K414 WeakPolarHBondContact O-CB 2.78Å; F411-K414 WeakPolarHBondContact O-CG 3.42Å; F411-K414 PolarHBondContact O-N 3.23Å; S412-K414 PolarHBondContact O-N 3.17Å
415	F	93.4	Very high	91.4	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.009	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	2.2	-167.7	-62.4	-76.3	0	0	0	114.6	F367 V370 L374 F411 S412 Q413 D417 R418 V419 I425	F367-F415 HydrophobicContact CD2-CE1 4.36Å; F367-F415 AromaticContact CD2-CE2 3.75Å; F367-F415 HydrophobicContact CD2-CE2 3.75Å; F367-F415 AromaticContact CD2-CZ 3.35Å; F367-F415 HydrophobicContact CD2-CZ 3.35Å; F367-F415 HydrophobicContact CE2-CE1 4.03Å; F367-F415 AromaticContact CE2-CE2 3.98Å; F367-F415 HydrophobicContact CE2-CE2 3.98Å; F367-F415 AromaticContact CE2-CZ 3.41Å; F367-F415 HydrophobicContact CE2-CZ 3.41Å; F367-F415 VanDerWaalsContact CE2-CZ 3.41Å; F367-F415 HydrophobicContact CG-CZ 4.23Å; F367-F415 HydrophobicContact CZ-CZ 4.34Å; V370-F415 HydrophobicContact CB-CE1 4.29Å; V370-F415 HydrophobicContact CB-CZ 3.97Å; V370-F415 HydrophobicContact CG1-CD1 3.91Å; V370-F415 HydrophobicContact CG1-CD2 4.39Å; V370-F415 HydrophobicContact CG1-CE1 3.51Å; V370-F415 HydrophobicContact CG1-CE2 4.05Å; V370-F415 HydrophobicContact CG1-CG 4.32Å; V370-F415 HydrophobicContact CG1-CZ 3.57Å; L374-F415 HydrophobicContact CD1-CD1 3.73Å; L374-F415 HydrophobicContact CD1-CE1 3.83Å; F411-F415 HydrophobicContact CD1-CD2 4.2Å; F411-F415 AromaticContact CD1-CE2 3.99Å; F411-F415 HydrophobicContact CD1-CE2 3.99Å; F411-F415 AromaticContact CE1-CD2 3.89Å; F411-F415 HydrophobicContact CE1-CD2 3.89Å; F411-F415 AromaticContact CE1-CE2 3.39Å; F411-F415 HydrophobicContact CE1-CE2 3.39Å; F411-F415 HydrophobicContact CE1-CZ 4.34Å; F411-F415 HydrophobicContact CE2-CE2 4.3Å; F411-F415 HydrophobicContact CZ-CD2 4.5Å; F411-F415 AromaticContact CZ-CE2 3.58Å; F411-F415 HydrophobicContact CZ-CE2 3.58Å; F411-F415 HydrophobicContact CZ-CZ 4.21Å; F411-F415 WeakPolarHBondContact O-CD2 3.35Å; S412-F415 PolarHBondContact O-N 2.96Å; Q413-F415 PolarHBondContact O-N 3.22Å; F415-D417 PolarHBondContact O-N 2.97Å; F415-D417 VanDerWaalsContact O-N 3.09Å; F415-R418 PolarHBondContact O-N 2.93Å; F415-V419 HydrophobicContact CB-CG2 4.19Å; F415-V419 PolarHBondContact O-N 2.91Å; F415-I425 HydrophobicContact CB-CD1 3.58Å; F415-I425 HydrophobicContact CD2-CD1 3.96Å; F415-I425 HydrophobicContact CG-CD1 4.04Å
416	V	91	Very high	91.6	Very high	64 Å²	64	61.4 Å²	61.4	39%	0.388	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-38.8	-176.4	177	0	0	0	0	113	K390 S412 P422	K390-V416 PolarHBondContact NZ-O 3.14Å; S412-V416 PolarHBondContact O-N 3.28Å; V416-P422 HydrophobicContact CG2-CB 4.31Å
417	D	90.6	Very high	91.7	Very high	131 Å²	131	64.1 Å²	64.1	70%	0.701	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.9	179.2	-69.4	-54.9	0	0	0	115.3	K390 F415	K390-D417 WeakPolarHBondContact CE-O 3.44Å; K390-D417 IonicContact NZ-OD1 2.96Å; K390-D417 PolarHBondContact NZ-OD1 3.13Å; F415-D417 PolarHBondContact O-N 2.97Å; F415-D417 VanDerWaalsContact O-N 3.09Å
418	R	92.8	Very high	91.9	Very high	93 Å²	93	61.2 Å²	61.2	35%	0.351	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-27.1	179.3	-62.4	-170.2	75.8	-166.7	4.1	114.5	L374 E378 P391 F415	L374-R418 HydrophobicContact CD1-CB 4.17Å; L374-R418 HydrophobicContact CD2-CB 4.12Å; E378-R418 IonicContact OE1-CZ 3.14Å; E378-R418 IonicContact OE1-NE 3.48Å; E378-R418 IonicContact OE1-NH2 3.61Å; E378-R418 PolarHBondContact OE1-NH2 3.13Å; P391-R418 WeakPolarHBondContact CD-O 3.48Å; F415-R418 PolarHBondContact O-N 2.93Å
419	V	95.2	Very high	91.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.298	C	S	.	.			trans	-116.9	157.3	-179.5	-59.4	0	0	0	0	113.3	L374 P391 I393 F415 P422 I425	L374-V419 HydrophobicContact CD2-CG1 4.06Å; P391-V419 WeakPolarHBondContact O-CA 3.46Å; I393-V419 HydrophobicContact CB-CG1 4.36Å; I393-V419 HydrophobicContact CD1-CG1 3.9Å; I393-V419 HydrophobicContact CG1-CG1 4.14Å; F415-V419 HydrophobicContact CB-CG2 4.19Å; F415-V419 PolarHBondContact O-N 2.91Å; V419-P422 HydrophobicContact CG2-CB 4.09Å; V419-I425 HydrophobicContact CG2-CD1 3.67Å; V419-I425 HydrophobicContact CG2-CG1 3.95Å
420	A	94.9	Very high	91.6	Very high	5 Å²	5	65.8 Å²	65.8	4%	0.041	30%	0.303	C	S	.	.	S	Bend	trans	-89.1	-10	175.6	0	0	0	0	0	114.2	I61 R62 K390 P391 L392 P422	I61-A420 HydrophobicContact CG2-CB 3.73Å; R62-A420 HydrophobicContact CG-CB 4.11Å; K390-A420 HydrophobicContact CB-CB 4.13Å; K390-A420 WeakPolarHBondContact O-CB 3.22Å; P391-A420 PolarHBondContact O-N 3.07Å; L392-A420 HydrophobicContact CD2-CB 3.84Å; A420-P422 VanDerWaalsContact C-CD 3.44Å
421	N	94.8	Very high	90.8	Very high	12 Å²	12	63.5 Å²	63.5	6%	0.064	30%	0.298	C	S	.	.			trans	-126.3	53.5	179.6	66.8	-45.1	0	0	0	113.1	L304 L392 I393 K423 D424 I425	L304-N421 WeakPolarHBondContact CD1-ND2 3.39Å; L392-N421 WeakPolarHBondContact CA-OD1 3.31Å; L392-N421 HydrophobicContact CD2-CB 3.72Å; I393-N421 PolarHBondContact N-OD1 3.48Å; I393-N421 PolarHBondContact O-ND2 2.87Å; N421-K423 VanDerWaalsContact C-N 3.26Å; N421-K423 PolarHBondContact O-N 3.46Å; N421-K423 VanDerWaalsContact O-N 3.12Å; N421-D424 PolarHBondContact ND2-O 2.98Å; N421-D424 PolarHBondContact O-N 3.23Å; N421-I425 PolarHBondContact O-N 2.94Å
422	P	91.8	Very high	89.1	Confident	31 Å²	31	74.5 Å²	74.5	20%	0.201	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-57.8	-34.4	-171.5	22.6	-33.2	0	0	0	113.9	S412 V416 V419 A420 D424	S412-P422 WeakPolarHBondContact CB-O 3.45Å; V416-P422 HydrophobicContact CG2-CB 4.31Å; V419-P422 HydrophobicContact CG2-CB 4.09Å; A420-P422 VanDerWaalsContact C-CD 3.44Å; P422-D424 PolarHBondContact O-N 3.34Å
423	K	89.6	Confident	87	Confident	189 Å²	189	80.9 Å²	80.9	82%	0.822	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-60.8	-25.2	176.4	-63.7	-178.4	-178.8	177.3	0	113.6	N421	N421-K423 VanDerWaalsContact C-N 3.26Å; N421-K423 PolarHBondContact O-N 3.46Å; N421-K423 VanDerWaalsContact O-N 3.12Å
424	D	90.4	Very high	84.4	Confident	73 Å²	73	82.8 Å²	82.8	39%	0.39	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-125.6	24.1	-162.1	-89.4	-73.8	0	0	0	114.1	L304 R394 N421 P422 I426	L304-D424 HydrophobicContact CD1-CB 3.88Å; R394-D424 WeakPolarHBondContact CD-O 3.36Å; R394-D424 IonicContact CZ-OD1 2.95Å; R394-D424 VanDerWaalsContact NH1-CB 3.34Å; R394-D424 PolarHBondContact NH1-O 3.22Å; R394-D424 IonicContact NH1-OD1 3.25Å; R394-D424 PolarHBondContact NH1-OD1 3.31Å; R394-D424 IonicContact NH2-OD1 3.35Å; N421-D424 PolarHBondContact ND2-O 2.98Å; N421-D424 PolarHBondContact O-N 3.23Å; P422-D424 PolarHBondContact O-N 3.34Å; D424-I426 VanDerWaalsContact C-N 3.33Å; D424-I426 PolarHBondContact O-N 3.49Å
425	I	93.9	Very high	81.7	Confident	3 Å²	3	86.4 Å²	86.4	2%	0.015	39%	0.392	C	S	.	.	S	Bend	trans	-64.3	-36.7	-179.5	-55.4	173.7	0	0	0	112.2	V370 I393 R394 L395 F411 F415 V419 N421	V370-I425 HydrophobicContact CG1-CG2 4.16Å; V370-I425 HydrophobicContact CG2-CG2 3.83Å; I393-I425 HydrophobicContact CG2-CG2 4.3Å; R394-I425 CarbonylContact C-O 3.6Å; R394-I425 WeakPolarHBondContact CA-O 3.38Å; L395-I425 PolarHBondContact N-O 3.41Å; F411-I425 HydrophobicContact CE1-CG2 4.11Å; F415-I425 HydrophobicContact CB-CD1 3.58Å; F415-I425 HydrophobicContact CD2-CD1 3.96Å; F415-I425 HydrophobicContact CG-CD1 4.04Å; V419-I425 HydrophobicContact CG2-CD1 3.67Å; V419-I425 HydrophobicContact CG2-CG1 3.95Å; N421-I425 PolarHBondContact O-N 2.94Å
426	I	93.4	Very high	79	Confident	14 Å²	14	95.2 Å²	95.2	7%	0.072	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.2	-174.3	-62.4	-168.4	0	0	0	111.1	C366 L395 V397 F406 T408 F411 D424 F428	C366-I426 HydrophobicContact CB-CD1 3.94Å; L395-I426 HydrophobicContact CB-CG1 4.28Å; L395-I426 HydrophobicContact CD2-CD1 4.41Å; L395-I426 WeakPolarHBondContact O-CA 3.47Å; V397-I426 HydrophobicContact CG2-CG2 4.18Å; F406-I426 HydrophobicContact CE2-CD1 3.84Å; F406-I426 HydrophobicContact CZ-CD1 3.57Å; T408-I426 HydrophobicContact CG2-CB 4.44Å; F411-I426 HydrophobicContact CD1-CD1 3.61Å; F411-I426 HydrophobicContact CD1-CG1 4.11Å; F411-I426 HydrophobicContact CD2-CD1 4.16Å; F411-I426 HydrophobicContact CE1-CD1 3.47Å; F411-I426 VanDerWaalsContact CE1-CD1 3.47Å; F411-I426 HydrophobicContact CE1-CG1 3.95Å; F411-I426 HydrophobicContact CE2-CD1 4.03Å; F411-I426 HydrophobicContact CG-CD1 3.97Å; F411-I426 HydrophobicContact CZ-CD1 3.69Å; D424-I426 VanDerWaalsContact C-N 3.33Å; D424-I426 PolarHBondContact O-N 3.49Å; I426-F428 HydrophobicContact CG2-CD1 4.42Å; I426-F428 HydrophobicContact CG2-CD2 4.3Å; I426-F428 HydrophobicContact CG2-CE1 4.13Å; I426-F428 HydrophobicContact CG2-CE2 4.01Å; I426-F428 HydrophobicContact CG2-CZ 3.91Å
427	H	92.6	Very high	76.6	Confident	76 Å²	76	96 Å²	96	35%	0.352	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.1	169.7	-165.6	-124.5	0	0	0	110	R394 L395 R396 V397 L429	R394-H427 PolarHBondContact NH2-CD2 3.12Å; L395-H427 PolarHBondContact O-N 3.18Å; R396-H427 CarbonylContact C-O 3.21Å; R396-H427 WeakPolarHBondContact CA-O 3.41Å; R396-H427 HydrophobicContact CG-CB 4.42Å; V397-H427 PolarHBondContact N-O 2.91Å; H427-L429 VanDerWaalsContact CE1-CD2 3.45Å; H427-L429 WeakPolarHBondContact CE1-CD2 3.28Å; H427-L429 WeakPolarHBondContact ND1-CD2 3.15Å
428	F	92	Very high	74	Confident	43 Å²	43	94.6 Å²	94.6	19%	0.189	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	112.8	175.3	-71.3	-65	0	0	0	110.1	V397 Y399 T405 F406 T408 I426	V397-F428 HydrophobicContact CB-CD1 3.9Å; V397-F428 HydrophobicContact CB-CE1 4.1Å; V397-F428 HydrophobicContact CG1-CD1 4.15Å; V397-F428 HydrophobicContact CG1-CE1 4.13Å; V397-F428 HydrophobicContact CG2-CE1 4.5Å; V397-F428 WeakPolarHBondContact O-CA 3.41Å; Y399-F428 HydrophobicContact CD1-CB 3.77Å; Y399-F428 HydrophobicContact CD1-CD1 4.26Å; Y399-F428 HydrophobicContact CD1-CG 4.43Å; Y399-F428 HydrophobicContact CE1-CB 3.72Å; T405-F428 HydrophobicContact CG2-CB 3.85Å; T405-F428 HydrophobicContact CG2-CD1 3.83Å; T405-F428 HydrophobicContact CG2-CD2 3.87Å; T405-F428 HydrophobicContact CG2-CE1 4.35Å; T405-F428 HydrophobicContact CG2-CE2 4.36Å; T405-F428 HydrophobicContact CG2-CG 3.58Å; F406-F428 HydrophobicContact CD1-CE1 4.48Å; F406-F428 AromaticContact CD1-CZ 3.87Å; F406-F428 HydrophobicContact CD1-CZ 3.87Å; F406-F428 HydrophobicContact CD2-CZ 4.16Å; F406-F428 HydrophobicContact CE1-CE1 4.21Å; F406-F428 AromaticContact CE1-CZ 3.76Å; F406-F428 HydrophobicContact CE1-CZ 3.76Å; F406-F428 HydrophobicContact CE2-CZ 4.04Å; F406-F428 HydrophobicContact CG-CZ 4.07Å; F406-F428 AromaticContact CZ-CZ 3.86Å; F406-F428 HydrophobicContact CZ-CZ 3.86Å; F406-F428 WeakPolarHBondContact O-CE2 3.45Å; T408-F428 HydrophobicContact CG2-CD2 4.15Å; T408-F428 HydrophobicContact CG2-CE2 3.7Å; I426-F428 HydrophobicContact CG2-CD1 4.42Å; I426-F428 HydrophobicContact CG2-CD2 4.3Å; I426-F428 HydrophobicContact CG2-CE1 4.13Å; I426-F428 HydrophobicContact CG2-CE2 4.01Å; I426-F428 HydrophobicContact CG2-CZ 3.91Å
429	L	89.4	Confident	71.2	Confident	65 Å²	65	98.6 Å²	98.6	34%	0.34	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	147.6	174.6	-68.2	175.4	0	0	0	109.9	R396 V397 D398 Y399 H427	R396-L429 HydrophobicContact CB-CD1 3.97Å; V397-L429 PolarHBondContact O-N 2.86Å; D398-L429 CarbonylContact C-O 3.56Å; D398-L429 VanDerWaalsContact CA-O 3.27Å; D398-L429 WeakPolarHBondContact CA-O 3.44Å; Y399-L429 WeakPolarHBondContact CD1-O 3.43Å; Y399-L429 VanDerWaalsContact CE1-C 3.5Å; Y399-L429 WeakPolarHBondContact CE1-O 3.37Å; Y399-L429 PolarHBondContact N-O 2.95Å; H427-L429 VanDerWaalsContact CE1-CD2 3.45Å; H427-L429 WeakPolarHBondContact CE1-CD2 3.28Å; H427-L429 WeakPolarHBondContact ND1-CD2 3.15Å
430	R	83.8	Confident	68.2	Low	160 Å²	160	104.8 Å²	104.8	60%	0.604	50%	0.503	S	S	*	.			trans	-128	125	162	179	174.8	175.8	176.2	1.4	107.3	Y399 R432	Y399-R430 HydrophobicContact CE1-CB 3.93Å; Y399-R430 HydrophobicContact CE2-CB 4.13Å; R430-R432 PolarHBondContact O-N 2.95Å; R430-R432 VanDerWaalsContact O-N 3.09Å
431	K	72.1	Confident	65.5	Low	125 Å²	125	112.5 Å²	112.5	54%	0.543	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-59.8	116.6	166	-70.6	177.7	-178.7	112.7	0	107.1	D398 S400 E433	D398-K431 PolarHBondContact OD1-N 3.14Å; D398-K431 WeakPolarHBondContact OD2-CD 3.08Å; D398-K431 VanDerWaalsContact OD2-CE 3.26Å; D398-K431 WeakPolarHBondContact OD2-CE 3.28Å; D398-K431 WeakPolarHBondContact OD2-CG 3.09Å; D398-K431 IonicContact OD2-NZ 2.8Å; D398-K431 PolarHBondContact OD2-NZ 3.25Å; S400-K431 PolarHBondContact OG-N 2.98Å; K431-E433 PolarHBondContact O-N 2.54Å; K431-E433 VanDerWaalsContact O-N 3.13Å
432	R	56.1	Low	62.8	Low	232 Å²	232	119 Å²	119	88%	0.875	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-61.4	116.1	160.9	-93.1	-176.6	166.9	-175.9	-6.5	106	R430 Q434	R430-R432 PolarHBondContact O-N 2.95Å; R430-R432 VanDerWaalsContact O-N 3.09Å; R432-Q434 PolarHBondContact O-N 3.23Å
433	E	47.5	Very low	60	Low	150 Å²	150	124.5 Å²	124.5	70%	0.701	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-48.9	129	158.1	-66.7	165.9	164.5	0	0	107.2	K431 K435	K431-E433 PolarHBondContact O-N 2.54Å; K431-E433 VanDerWaalsContact O-N 3.13Å; E433-K435 PolarHBondContact O-N 3.05Å
434	Q	35.8	Very low	57.6	Low	183 Å²	183	119 Å²	119	86%	0.855	58%	0.576	S	S	*	*			trans	-69.7	89.4	170.7	-74.2	-174.1	-8.7	0	0	107.8	R432 E436	R432-Q434 PolarHBondContact O-N 3.23Å; Q434-E436 PolarHBondContact O-N 3.37Å
435	K	34.8	Very low	55.1	Low	163 Å²	163	118.7 Å²	118.7	71%	0.709	57%	0.574	S	S	*	*			trans	-64.7	91.9	161.6	-77.5	-169.1	174.7	-175.2	0	108	E433 G437	E433-K435 PolarHBondContact O-N 3.05Å; K435-G437 PolarHBondContact O-N 3.49Å
436	E	36.8	Very low	52.7	Low	187 Å²	187	125.4 Å²	125.4	87%	0.874	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.1	126.6	161.8	-65.1	-169.4	124.3	0	0	108.8	Q434	Q434-E436 PolarHBondContact O-N 3.37Å
437	G	39.9	Very low	50.3	Low	82 Å²	82	128.9 Å²	128.9	85%	0.845	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.5	24.6	161.9	0	0	0	0	0	118.5	K435	K435-G437 PolarHBondContact O-N 3.49Å
438	V	35.5	Very low	47.9	Very low	100 Å²	100	132.2 Å²	132.2	61%	0.606	64%	0.64	S	S	*	*			trans	-106.8	105.5	155	-174.7	0	0	0	0	109.2	D440	V438-D440 PolarHBondContact O-N 3.18Å
439	K	35.7	Very low	45.6	Very low	177 Å²	177	133 Å²	133	77%	0.77	65%	0.646	S	S	*	*			trans	-74	116.5	163.7	-67.4	179.3	179.3	178.9	0	108	E441	K439-E441 HydrophobicContact CB-CG 4.34Å; K439-E441 PolarHBondContact O-N 2.7Å
440	D	31.4	Very low	43.5	Very low	131 Å²	131	134.8 Å²	134.8	70%	0.701	66%	0.659	S	S	*	*			trans	-69.1	110.3	153.9	-80	-43.9	0	0	0	107.2	V438 F442	V438-D440 PolarHBondContact O-N 3.18Å; D440-F442 PolarHBondContact O-N 3Å
441	E	38.7	Very low	41.3	Very low	167 Å²	167	134.9 Å²	134.9	78%	0.78	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	39.6	179.2	-62.3	-164.2	131.7	0	0	112.6	K439	K439-E441 HydrophobicContact CB-CG 4.34Å; K439-E441 PolarHBondContact O-N 2.7Å
442	F	37.9	Very low	39.8	Very low	148 Å²	148	135.1 Å²	135.1	65%	0.649	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	24.2	177	-76.5	-74.5	0	0	0	113	D440 V444	D440-F442 PolarHBondContact O-N 3Å; F442-V444 PolarHBondContact O-N 3.4Å; F442-V444 VanDerWaalsContact O-N 3.14Å
443	N	32.4	Very low	38.9	Very low	147 Å²	147	127.8 Å²	127.8	79%	0.786	67%	0.667	S	S	*	*			trans	-78.8	90.3	165.6	-167.3	19.2	0	0	0	109.6	D445	N443-D445 PolarHBondContact O-N 2.91Å
444	V	39.3	Very low	38.8	Very low	73 Å²	73	125.4 Å²	125.4	44%	0.442	67%	0.673	S	S	.	*			trans	-63.3	115.9	175.7	179.8	0	0	0	0	108.7	F442 Y446	F442-V444 PolarHBondContact O-N 3.4Å; F442-V444 VanDerWaalsContact O-N 3.14Å; V444-Y446 WeakPolarHBondContact O-CD2 3.27Å; V444-Y446 PolarHBondContact O-N 2.93Å
445	D	38.7	Very low	39.3	Very low	66 Å²	66	121.4 Å²	121.4	35%	0.353	66%	0.661	S	S	.	*			trans	-80.7	84	-172.2	-170.6	-5.7	0	0	0	111.7	N443 S447 K448	N443-D445 PolarHBondContact O-N 2.91Å; D445-S447 PolarHBondContact O-N 3.3Å; D445-S447 WeakPolarHBondContact OD1-CB 3.14Å; D445-S447 PolarHBondContact OD1-N 3.3Å; D445-S447 PolarHBondContact OD1-OG 2.95Å; D445-K448 HydrophobicContact CB-CD 4.45Å; D445-K448 HydrophobicContact CB-CG 4.33Å; D445-K448 PolarHBondContact O-N 2.98Å; D445-K448 IonicContact OD2-NZ 2.8Å; D445-K448 PolarHBondContact OD2-NZ 2.87Å
446	Y	42.9	Very low	39.7	Very low	144 Å²	144	122.8 Å²	122.8	57%	0.565	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-50.8	-26.8	176.7	-69.1	-85.7	0	0	0	113.4	V444 K448 L449 Y467	V444-Y446 WeakPolarHBondContact O-CD2 3.27Å; V444-Y446 PolarHBondContact O-N 2.93Å; Y446-K448 PolarHBondContact O-N 2.92Å; Y446-L449 PolarHBondContact O-N 2.79Å; Y446-Y467 HydrophobicContact CE1-CD2 4.49Å; Y446-Y467 AromaticContact CE1-CE2 3.76Å; Y446-Y467 HydrophobicContact CE1-CE2 3.76Å
447	S	43.6	Very low	40.3	Very low	87 Å²	87	117.2 Å²	117.2	61%	0.608	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-67.3	-18.1	177.7	79.7	0	0	0	0	113.9	D445	D445-S447 PolarHBondContact O-N 3.3Å; D445-S447 WeakPolarHBondContact OD1-CB 3.14Å; D445-S447 PolarHBondContact OD1-N 3.3Å; D445-S447 PolarHBondContact OD1-OG 2.95Å
448	K	42.2	Very low	41	Very low	147 Å²	147	117.7 Å²	117.7	64%	0.639	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-86.6	-19.8	178	-68.4	-169.7	175.7	83.8	0	114.3	D445 Y446	D445-K448 HydrophobicContact CB-CD 4.45Å; D445-K448 HydrophobicContact CB-CG 4.33Å; D445-K448 PolarHBondContact O-N 2.98Å; D445-K448 IonicContact OD2-NZ 2.8Å; D445-K448 PolarHBondContact OD2-NZ 2.87Å; Y446-K448 PolarHBondContact O-N 2.92Å
449	L	43.1	Very low	42.2	Very low	60 Å²	60	118.9 Å²	118.9	31%	0.314	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	-42.3	176.1	-72.3	170.4	0	0	0	111.1	Y446 K451 Y467 A470	Y446-L449 PolarHBondContact O-N 2.79Å; L449-K451 VanDerWaalsContact C-N 3.35Å; L449-K451 PolarHBondContact O-N 2.72Å; L449-Y467 HydrophobicContact CD1-CD2 3.84Å; L449-A470 HydrophobicContact CD2-CB 3.73Å
450	V	45.5	Very low	43.5	Very low	102 Å²	102	112.9 Å²	112.9	62%	0.618	62%	0.617	S	S	*	*			trans	-83.4	76.9	177	-170.4	0	0	0	0	110.5	P452	V450-P452 WeakPolarHBondContact O-CD 3.38Å
451	K	37	Very low	45	Very low	161 Å²	161	108.7 Å²	108.7	70%	0.7	59%	0.593	S	S	*	*			trans	-72.2	121.6	167.1	-74.8	-179.9	-178.9	170.3	0	109.7	L449 A453	L449-K451 VanDerWaalsContact C-N 3.35Å; L449-K451 PolarHBondContact O-N 2.72Å; K451-A453 VanDerWaalsContact C-N 3.25Å; K451-A453 PolarHBondContact O-N 3.1Å
452	P	40.6	Very low	46.3	Very low	131 Å²	131	103.1 Å²	103.1	85%	0.851	57%	0.569	S	S	*	*			trans	-78.5	73.7	178.9	32.8	-35.5	0	0	0	110.9	V450	V450-P452 WeakPolarHBondContact O-CD 3.38Å
453	A	37.6	Very low	47.7	Very low	77 Å²	77	100.5 Å²	100.5	64%	0.636	56%	0.561	S	S	*	*	S	Bend	trans	-138.9	102.3	177.9	0	0	0	0	0	110.3	K451	K451-A453 VanDerWaalsContact C-N 3.25Å; K451-A453 PolarHBondContact O-N 3.1Å
454	A	45.1	Very low	49.3	Very low	101 Å²	101	94.3 Å²	94.3	84%	0.835	53%	0.528	S	S	*	.			trans	53	72.1	174.9	0	0	0	0	0	115.3	E456	A454-E456 PolarHBondContact O-N 3.4Å
455	V	46.5	Very low	50.6	Low	99 Å²	99	95.6 Å²	95.6	60%	0.6	53%	0.528	S	S	*	.			trans	-93.3	69.6	171.2	-170.2	0	0	0	0	110.4	L458	V455-L458 HydrophobicContact CG1-CB 4.29Å; V455-L458 HydrophobicContact CG1-CD1 4.28Å; V455-L458 HydrophobicContact CG2-CD1 4.34Å
456	E	43.6	Very low	52	Low	192 Å²	192	96 Å²	96	90%	0.897	53%	0.528	S	S	*	.	S	Bend	trans	-106.4	116	153.9	-72.7	-174.5	138.1	0	0	107.1	A454	A454-E456 PolarHBondContact O-N 3.4Å
457	G	49.5	Very low	53.3	Low	69 Å²	69	92.4 Å²	92.4	71%	0.711	51%	0.513	S	S	*	.	S	Bend	trans	91.5	7.7	168.7	0	0	0	0	0	118.9	R459	G457-R459 PolarHBondContact O-N 2.75Å
458	L	54	Low	54.4	Low	92 Å²	92	89.5 Å²	89.5	48%	0.482	49%	0.49	S	S	.	.			trans	-69.7	117.3	166.3	-73.7	177.6	0	0	0	109.9	V455	V455-L458 HydrophobicContact CG1-CB 4.29Å; V455-L458 HydrophobicContact CG1-CD1 4.28Å; V455-L458 HydrophobicContact CG2-CD1 4.34Å
459	R	60.9	Low	55.6	Low	125 Å²	125	88.1 Å²	88.1	47%	0.472	49%	0.486	S	S	.	.			trans	-90.4	161.6	178.1	-59	168.7	-60.5	125.6	22.6	110.3	G457 E461 D462 L463	G457-R459 PolarHBondContact O-N 2.75Å; R459-E461 IonicContact CZ-OE2 3.04Å; R459-E461 VanDerWaalsContact CZ-OE2 3.24Å; R459-E461 IonicContact NH1-OE2 3.36Å; R459-E461 PolarHBondContact NH1-OE2 2.91Å; R459-E461 IonicContact NH2-OE2 3.24Å; R459-E461 PolarHBondContact NH2-OE2 3.03Å; R459-E461 PolarHBondContact O-N 2.7Å; R459-D462 WeakPolarHBondContact CB-OD2 3.44Å; R459-D462 IonicContact CZ-OD2 2.74Å; R459-D462 PolarHBondContact N-OD2 2.67Å; R459-D462 IonicContact NE-OD2 3.08Å; R459-D462 PolarHBondContact NE-OD2 3.45Å; R459-D462 IonicContact NH2-OD1 2.73Å; R459-D462 PolarHBondContact NH2-OD1 2.91Å; R459-D462 IonicContact NH2-OD2 3.2Å; R459-D462 PolarHBondContact NH2-OD2 3.5Å; R459-D462 VanDerWaalsContact NH2-OD2 3.08Å; R459-D462 WeakPolarHBondContact O-CB 3.49Å; R459-D462 PolarHBondContact O-N 2.85Å; R459-L463 PolarHBondContact O-N 2.97Å
460	V	63.6	Low	56.5	Low	51 Å²	51	88.6 Å²	88.6	31%	0.309	50%	0.498	S	S	.	.	H	α-helix	trans	-61.6	-35	-176.5	-169.7	0	0	0	0	111.7	D462 L463 V464 I489	V460-D462 VanDerWaalsContact C-N 3.3Å; V460-D462 PolarHBondContact O-N 3.21Å; V460-L463 PolarHBondContact O-N 2.91Å; V460-V464 HydrophobicContact CG1-CG2 4.42Å; V460-V464 WeakPolarHBondContact O-CG2 3.39Å; V460-V464 PolarHBondContact O-N 3.45Å; V460-I489 HydrophobicContact CG1-CG2 3.59Å
461	E	62.8	Low	57.1	Low	44 Å²	44	84.9 Å²	84.9	21%	0.206	48%	0.478	C	S	.	.	H	α-helix	trans	-51.8	-46.3	170.6	-58.5	-172.3	112.7	0	0	112.6	R459 L463 V464 K465	R459-E461 IonicContact CZ-OE2 3.04Å; R459-E461 VanDerWaalsContact CZ-OE2 3.24Å; R459-E461 IonicContact NH1-OE2 3.36Å; R459-E461 PolarHBondContact NH1-OE2 2.91Å; R459-E461 IonicContact NH2-OE2 3.24Å; R459-E461 PolarHBondContact NH2-OE2 3.03Å; R459-E461 PolarHBondContact O-N 2.7Å; E461-L463 VanDerWaalsContact C-N 3.31Å; E461-L463 PolarHBondContact O-N 3.34Å; E461-V464 PolarHBondContact O-N 3.4Å; E461-K465 WeakPolarHBondContact O-CB 2.85Å; E461-K465 PolarHBondContact O-N 3Å
462	D	65	Low	57.8	Low	50 Å²	50	83 Å²	83	27%	0.267	47%	0.472	S	S	.	.	H	α-helix	trans	-70	-30.7	-175.8	-58.6	-57.9	0	0	0	111.3	R459 V460 Q466	R459-D462 WeakPolarHBondContact CB-OD2 3.44Å; R459-D462 IonicContact CZ-OD2 2.74Å; R459-D462 PolarHBondContact N-OD2 2.67Å; R459-D462 IonicContact NE-OD2 3.08Å; R459-D462 PolarHBondContact NE-OD2 3.45Å; R459-D462 IonicContact NH2-OD1 2.73Å; R459-D462 PolarHBondContact NH2-OD1 2.91Å; R459-D462 IonicContact NH2-OD2 3.2Å; R459-D462 PolarHBondContact NH2-OD2 3.5Å; R459-D462 VanDerWaalsContact NH2-OD2 3.08Å; R459-D462 WeakPolarHBondContact O-CB 3.49Å; R459-D462 PolarHBondContact O-N 2.85Å; V460-D462 VanDerWaalsContact C-N 3.3Å; V460-D462 PolarHBondContact O-N 3.21Å; D462-Q466 WeakPolarHBondContact O-CB 3.27Å; D462-Q466 VanDerWaalsContact O-CG 3.23Å; D462-Q466 WeakPolarHBondContact O-CG 3.44Å; D462-Q466 PolarHBondContact O-N 3.44Å; D462-Q466 PolarHBondContact O-NE2 3.24Å
463	L	67.4	Low	58.5	Low	92 Å²	92	85.2 Å²	85.2	48%	0.482	47%	0.471	S	S	.	.	H	α-helix	trans	-76	-42	177.3	-156.1	76.8	0	0	0	112	R459 V460 E461 K465 Q466 Y467	R459-L463 PolarHBondContact O-N 2.97Å; V460-L463 PolarHBondContact O-N 2.91Å; E461-L463 VanDerWaalsContact C-N 3.31Å; E461-L463 PolarHBondContact O-N 3.34Å; L463-K465 VanDerWaalsContact C-N 3.33Å; L463-Q466 PolarHBondContact O-N 3.21Å; L463-Y467 PolarHBondContact O-N 3.5Å
464	V	67	Low	59.3	Low	17 Å²	17	90.2 Å²	90.2	10%	0.103	48%	0.478	C	S	.	.	H	α-helix	trans	-61.2	-43.7	173.7	171.7	0	0	0	0	110.4	V460 E461 Y467 F468 M485 I489	V460-V464 HydrophobicContact CG1-CG2 4.42Å; V460-V464 WeakPolarHBondContact O-CG2 3.39Å; V460-V464 PolarHBondContact O-N 3.45Å; E461-V464 PolarHBondContact O-N 3.4Å; V464-Y467 PolarHBondContact O-N 2.98Å; V464-F468 HydrophobicContact CG1-CD2 4.01Å; V464-F468 HydrophobicContact CG1-CE2 3.99Å; V464-F468 VanDerWaalsContact O-CD2 3.3Å; V464-F468 WeakPolarHBondContact O-CD2 3.33Å; V464-F468 PolarHBondContact O-N 2.98Å; V464-M485 HydrophobicContact CG1-CB 4.38Å; V464-M485 HydrophobicContact CG1-CG 4.15Å; V464-I489 HydrophobicContact CG2-CD1 3.77Å
465	K	66.8	Low	59.8	Low	100 Å²	100	88.8 Å²	88.8	44%	0.435	46%	0.459	S	S	.	.	H	α-helix	trans	-61.6	-49.8	175.4	-177.5	176.1	172.3	-177.5	0	112	E461 L463 Y467 F468 E469	E461-K465 WeakPolarHBondContact O-CB 2.85Å; E461-K465 PolarHBondContact O-N 3Å; L463-K465 VanDerWaalsContact C-N 3.33Å; K465-Y467 VanDerWaalsContact C-N 3.27Å; K465-Y467 PolarHBondContact O-N 3.39Å; K465-F468 PolarHBondContact O-N 2.96Å; K465-E469 WeakPolarHBondContact CE-OE1 3.31Å; K465-E469 HydrophobicContact CG-CG 4.21Å; K465-E469 IonicContact NZ-OE1 3.54Å; K465-E469 WeakPolarHBondContact O-CB 3.34Å; K465-E469 WeakPolarHBondContact O-CG 3.37Å; K465-E469 PolarHBondContact O-N 3.14Å
466	Q	68.3	Low	60.6	Low	75 Å²	75	87.6 Å²	87.6	35%	0.35	45%	0.447	S	S	.	.	H	α-helix	trans	-58.9	-36.5	177.1	-77.9	169.2	64.5	0	0	112.9	D462 L463 A470	D462-Q466 WeakPolarHBondContact O-CB 3.27Å; D462-Q466 VanDerWaalsContact O-CG 3.23Å; D462-Q466 WeakPolarHBondContact O-CG 3.44Å; D462-Q466 PolarHBondContact O-N 3.44Å; D462-Q466 PolarHBondContact O-NE2 3.24Å; L463-Q466 PolarHBondContact O-N 3.21Å; Q466-A470 WeakPolarHBondContact O-CB 3.43Å; Q466-A470 PolarHBondContact O-N 3.15Å
467	Y	70.1	Confident	61.7	Low	68 Å²	68	80.3 Å²	80.3	27%	0.267	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-48.5	175.6	-180	-96.6	0	0	0	112.1	Y446 L449 L463 V464 K465 A470 A471	Y446-Y467 HydrophobicContact CE1-CD2 4.49Å; Y446-Y467 AromaticContact CE1-CE2 3.76Å; Y446-Y467 HydrophobicContact CE1-CE2 3.76Å; L449-Y467 HydrophobicContact CD1-CD2 3.84Å; L463-Y467 PolarHBondContact O-N 3.5Å; V464-Y467 PolarHBondContact O-N 2.98Å; K465-Y467 VanDerWaalsContact C-N 3.27Å; K465-Y467 PolarHBondContact O-N 3.39Å; Y467-A470 PolarHBondContact O-N 3.33Å; Y467-A471 WeakPolarHBondContact O-CB 3.4Å; Y467-A471 PolarHBondContact O-N 3.15Å
468	F	66.8	Low	62.6	Low	26 Å²	26	80.7 Å²	80.7	11%	0.114	41%	0.406	C	S	.	.	H	α-helix	trans	-78.8	-24.4	-179.2	-71.3	-64	0	0	0	114.4	V464 K465 L477 E482 M485	V464-F468 HydrophobicContact CG1-CD2 4.01Å; V464-F468 HydrophobicContact CG1-CE2 3.99Å; V464-F468 VanDerWaalsContact O-CD2 3.3Å; V464-F468 WeakPolarHBondContact O-CD2 3.33Å; V464-F468 PolarHBondContact O-N 2.98Å; K465-F468 PolarHBondContact O-N 2.96Å; F468-L477 HydrophobicContact CD1-CG 4.26Å; F468-L477 HydrophobicContact CD2-CD1 4.31Å; F468-L477 HydrophobicContact CE1-CD1 4.16Å; F468-L477 HydrophobicContact CE1-CD2 3.98Å; F468-L477 HydrophobicContact CE1-CG 3.71Å; F468-L477 HydrophobicContact CE2-CD1 3.79Å; F468-L477 HydrophobicContact CE2-CG 4.28Å; F468-L477 HydrophobicContact CZ-CD1 3.72Å; F468-L477 HydrophobicContact CZ-CD2 3.87Å; F468-L477 HydrophobicContact CZ-CG 3.73Å; F468-E482 HydrophobicContact CB-CG 3.86Å; F468-E482 HydrophobicContact CD2-CG 4.42Å; F468-E482 HydrophobicContact CG-CG 4.39Å; F468-M485 HydrophobicContact CE2-CG 4.49Å
469	E	66.2	Low	63.4	Low	119 Å²	119	78.2 Å²	78.2	56%	0.556	39%	0.393	S	S	*	.	H	α-helix	trans	-73.2	-30.2	170.1	-74.2	-178.1	160.1	0	0	112.5	K465	K465-E469 WeakPolarHBondContact CE-OE1 3.31Å; K465-E469 HydrophobicContact CG-CG 4.21Å; K465-E469 IonicContact NZ-OE1 3.54Å; K465-E469 WeakPolarHBondContact O-CB 3.34Å; K465-E469 WeakPolarHBondContact O-CG 3.37Å; K465-E469 PolarHBondContact O-N 3.14Å
470	A	62.2	Low	64.1	Low	69 Å²	69	73.3 Å²	73.3	57%	0.57	38%	0.376	S	S	*	.	H	α-helix	trans	-88.9	-15.9	177.1	0	0	0	0	0	114.2	L449 Q466 Y467	L449-A470 HydrophobicContact CD2-CB 3.73Å; Q466-A470 WeakPolarHBondContact O-CB 3.43Å; Q466-A470 PolarHBondContact O-N 3.15Å; Y467-A470 PolarHBondContact O-N 3.33Å
471	A	57.6	Low	64.6	Low	24 Å²	24	71.8 Å²	71.8	20%	0.198	37%	0.366	C	S	.	.	S	Bend	trans	-75.9	148.8	178	0	0	0	0	0	112.3	Y467 V475	Y467-A471 WeakPolarHBondContact O-CB 3.4Å; Y467-A471 PolarHBondContact O-N 3.15Å; A471-V475 HydrophobicContact CB-CB 4.18Å; A471-V475 HydrophobicContact CB-CG1 4.33Å
472	E	51.6	Low	65.2	Low	123 Å²	123	71.4 Å²	71.4	58%	0.575	37%	0.365	S	S	*	.			trans	-61	153.9	175	-63.9	-166.9	161.7	0	0	112.1	K474 V475	E472-K474 PolarHBondContact O-N 2.86Å; E472-V475 PolarHBondContact O-N 2.94Å
473	Q	56.8	Low	65.7	Low	176 Å²	176	72.6 Å²	72.6	82%	0.822	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-17.6	177.2	-74.2	-178.5	-39.5	0	0	114.7
474	K	53.4	Low	66.2	Low	183 Å²	183	68.3 Å²	68.3	80%	0.796	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.4	173.6	-73.8	-179.7	175.4	174.2	0	114.8	E472	E472-K474 PolarHBondContact O-N 2.86Å
475	V	56.6	Low	66.8	Low	70 Å²	70	68.8 Å²	68.8	42%	0.424	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-2.9	-172.8	-172.2	0	0	0	0	111.5	A471 E472	A471-V475 HydrophobicContact CB-CB 4.18Å; A471-V475 HydrophobicContact CB-CG1 4.33Å; E472-V475 PolarHBondContact O-N 2.94Å
476	Q	61.8	Low	67.4	Low	74 Å²	74	64.1 Å²	64.1	35%	0.346	33%	0.328	S	S	.	.	S	Bend	trans	-67	140.4	175.3	-67.1	-176.7	-16.6	0	0	111.6	S478	Q476-S478 PolarHBondContact O-N 3.11Å
477	L	67.7	Low	67.9	Low	39 Å²	39	62.7 Å²	62.7	20%	0.204	32%	0.321	C	S	.	.			trans	-60.2	116.6	-178.2	-64.1	171.5	0	0	0	110.9	F468 L480 M485 R535	F468-L477 HydrophobicContact CD1-CG 4.26Å; F468-L477 HydrophobicContact CD2-CD1 4.31Å; F468-L477 HydrophobicContact CE1-CD1 4.16Å; F468-L477 HydrophobicContact CE1-CD2 3.98Å; F468-L477 HydrophobicContact CE1-CG 3.71Å; F468-L477 HydrophobicContact CE2-CD1 3.79Å; F468-L477 HydrophobicContact CE2-CG 4.28Å; F468-L477 HydrophobicContact CZ-CD1 3.72Å; F468-L477 HydrophobicContact CZ-CD2 3.87Å; F468-L477 HydrophobicContact CZ-CG 3.73Å; L477-L480 HydrophobicContact CB-CB 4.3Å; L477-L480 WeakPolarHBondContact CB-O 2.86Å; L477-L480 HydrophobicContact CD1-CB 4.14Å; L477-M485 HydrophobicContact CD1-CB 4.22Å; L477-M485 HydrophobicContact CD1-CE 4.35Å; L477-M485 HydrophobicContact CD1-CG 4.47Å; L477-R535 PolarHBondContact O-NH1 2.67Å
478	S	67.2	Low	68.4	Low	78 Å²	78	59.5 Å²	59.5	55%	0.545	31%	0.309	S	S	.	.	S	Bend	trans	-74.4	-37.4	-176.9	54	0	0	0	0	113.4	Q476	Q476-S478 PolarHBondContact O-N 3.11Å
479	L	71.6	Confident	69.1	Low	40 Å²	40	60.2 Å²	60.2	21%	0.209	31%	0.313	C	S	.	.	S	Bend	trans	-100.3	-37.8	-177.2	-179.2	68.7	0	0	0	113.3	L509 T512 I531	L479-L509 HydrophobicContact CD2-CD2 3.49Å; L479-L509 VanDerWaalsContact CD2-CD2 3.49Å; L479-L509 HydrophobicContact CD2-CG 3.82Å; L479-T512 HydrophobicContact CD1-CG2 3.81Å; L479-T512 WeakPolarHBondContact CD1-OG1 3.43Å; L479-I531 HydrophobicContact CD1-CG2 4.27Å
480	L	75.1	Confident	69.6	Low	22 Å²	22	57 Å²	57	12%	0.115	30%	0.299	C	S	.	.	S	Bend	trans	-102.3	155.1	-170.3	-59.7	171.1	0	0	0	110.8	L477 M485 I505 Q508	L477-L480 HydrophobicContact CB-CB 4.3Å; L477-L480 WeakPolarHBondContact CB-O 2.86Å; L477-L480 HydrophobicContact CD1-CB 4.14Å; L480-M485 HydrophobicContact CD1-CE 3.54Å; L480-I505 HydrophobicContact CD1-CG1 3.99Å; L480-Q508 HydrophobicContact CD2-CB 3.86Å; L480-Q508 HydrophobicContact CD2-CG 4.02Å
481	T	75.4	Confident	70.5	Confident	18 Å²	18	54.5 Å²	54.5	11%	0.11	28%	0.275	C	S	.	.			trans	-95.5	152.8	174.2	58.9	0	0	0	0	111.6	Q483 G484 M485 R535 E544	T481-Q483 VanDerWaalsContact C-N 3.26Å; T481-Q483 PolarHBondContact O-N 3.39Å; T481-G484 PolarHBondContact O-N 3.1Å; T481-G484 PolarHBondContact OG1-N 3.27Å; T481-M485 PolarHBondContact O-N 3.3Å; T481-M485 VanDerWaalsContact O-N 3.07Å; T481-R535 HydrophobicContact CG2-CG 4.16Å; T481-E544 WeakPolarHBondContact CB-OE1 3.4Å; T481-E544 WeakPolarHBondContact CG2-OE1 3.22Å; T481-E544 PolarHBondContact OG1-OE1 2.64Å
482	E	74.9	Confident	71.5	Confident	36 Å²	36	57.5 Å²	57.5	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-58	-38.1	175.7	-64.1	120.9	-130.5	0	0	112.2	F468 G486 K539	F468-E482 HydrophobicContact CB-CG 3.86Å; F468-E482 HydrophobicContact CD2-CG 4.42Å; F468-E482 HydrophobicContact CG-CG 4.39Å; E482-G486 PolarHBondContact O-N 3.45Å; E482-K539 IonicContact OE1-NZ 2.68Å; E482-K539 PolarHBondContact OE1-NZ 3.01Å; E482-K539 WeakPolarHBondContact OE2-CE 3.32Å; E482-K539 IonicContact OE2-NZ 3.91Å; E482-K539 PolarHBondContact OE2-NZ 3.37Å
483	Q	75.1	Confident	72.7	Confident	75 Å²	75	55.6 Å²	55.6	35%	0.35	28%	0.28	S	S	.	.	H	α-helix	trans	-74.7	-39.3	-179.2	-68.8	178	19.2	0	0	112.7	T481 G486 K487 N540	T481-Q483 VanDerWaalsContact C-N 3.26Å; T481-Q483 PolarHBondContact O-N 3.39Å; Q483-G486 PolarHBondContact O-N 3.22Å; Q483-K487 WeakPolarHBondContact O-CB 3.45Å; Q483-K487 WeakPolarHBondContact O-CG 3.49Å; Q483-K487 PolarHBondContact O-N 3.37Å; Q483-N540 PolarHBondContact NE2-OD1 3.23Å
484	G	77.6	Confident	73.6	Confident	2 Å²	2	51.8 Å²	51.8	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-47.9	172.3	0	0	0	0	0	111.6	T481 K487 A488 L504 I548	T481-G484 PolarHBondContact O-N 3.1Å; T481-G484 PolarHBondContact OG1-N 3.27Å; G484-K487 PolarHBondContact O-N 2.64Å; G484-A488 WeakPolarHBondContact O-CB 3.4Å; G484-A488 PolarHBondContact O-N 3.19Å; G484-L504 VanDerWaalsContact C-CD2 3.47Å; G484-L504 WeakPolarHBondContact O-CD2 3.4Å; G484-I548 VanDerWaalsContact CA-CD1 3.49Å
485	M	79.7	Confident	74.7	Confident	27 Å²	27	48 Å²	48	13%	0.133	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-45.5	176.3	-171.8	60.8	72.4	0	0	111.9	V464 F468 L477 L480 T481 K487 A488 I489	V464-M485 HydrophobicContact CG1-CB 4.38Å; V464-M485 HydrophobicContact CG1-CG 4.15Å; F468-M485 HydrophobicContact CE2-CG 4.49Å; L477-M485 HydrophobicContact CD1-CB 4.22Å; L477-M485 HydrophobicContact CD1-CE 4.35Å; L477-M485 HydrophobicContact CD1-CG 4.47Å; L480-M485 HydrophobicContact CD1-CE 3.54Å; T481-M485 PolarHBondContact O-N 3.3Å; T481-M485 VanDerWaalsContact O-N 3.07Å; M485-K487 PolarHBondContact O-N 3.06Å; M485-A488 PolarHBondContact O-N 3.4Å; M485-I489 HydrophobicContact CG-CD1 3.76Å; M485-I489 HydrophobicContact CG-CG1 4.49Å; M485-I489 WeakPolarHBondContact O-CB 3.36Å; M485-I489 VanDerWaalsContact O-CG1 3.27Å; M485-I489 WeakPolarHBondContact O-CG1 3.4Å; M485-I489 PolarHBondContact O-N 3.32Å; M485-I489 HydrophobicContact SD-CD1 3.87Å; M485-I489 HydrophobicContact SD-CG1 4.22Å
486	G	79.6	Confident	75.4	Confident	2 Å²	2	48 Å²	48	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-48.4	177.5	0	0	0	0	0	113	E482 Q483 I489 Q490	E482-G486 PolarHBondContact O-N 3.45Å; Q483-G486 PolarHBondContact O-N 3.22Å; G486-I489 PolarHBondContact O-N 3.28Å; G486-Q490 PolarHBondContact O-N 3.09Å
487	K	78.7	Confident	76.1	Confident	46 Å²	46	45.2 Å²	45.2	20%	0.2	23%	0.234	C	C	.	.	H	α-helix	trans	-68.3	-37.9	179.5	-73.9	172.5	174.4	171.3	0	113.1	Q483 G484 M485 Q490 E491 E545 I548	Q483-K487 WeakPolarHBondContact O-CB 3.45Å; Q483-K487 WeakPolarHBondContact O-CG 3.49Å; Q483-K487 PolarHBondContact O-N 3.37Å; G484-K487 PolarHBondContact O-N 2.64Å; M485-K487 PolarHBondContact O-N 3.06Å; K487-Q490 PolarHBondContact O-N 3.37Å; K487-E491 PolarHBondContact O-N 2.9Å; K487-E545 IonicContact NZ-OE1 2.95Å; K487-E545 PolarHBondContact NZ-OE1 3.34Å; K487-I548 HydrophobicContact CB-CG2 4.09Å; K487-I548 HydrophobicContact CD-CD1 4.23Å; K487-I548 HydrophobicContact CD-CG2 4.24Å
488	A	81.3	Confident	76.5	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-70.2	-36.3	175.8	0	0	0	0	0	112.8	G484 M485 E491 F492 I501 L504	G484-A488 WeakPolarHBondContact O-CB 3.4Å; G484-A488 PolarHBondContact O-N 3.19Å; M485-A488 PolarHBondContact O-N 3.4Å; A488-E491 PolarHBondContact O-N 2.82Å; A488-F492 WeakPolarHBondContact O-CB 3.46Å; A488-F492 PolarHBondContact O-N 2.77Å; A488-I501 HydrophobicContact CB-CG1 4.28Å; A488-L504 HydrophobicContact CB-CB 4.31Å; A488-L504 HydrophobicContact CB-CD2 3.62Å
489	I	80.3	Confident	77.2	Confident	40 Å²	40	47.5 Å²	47.5	21%	0.205	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-38.4	171.4	-67	169.3	0	0	0	110.3	V460 V464 M485 G486 F492 V493 I501	V460-I489 HydrophobicContact CG1-CG2 3.59Å; V464-I489 HydrophobicContact CG2-CD1 3.77Å; M485-I489 HydrophobicContact CG-CD1 3.76Å; M485-I489 HydrophobicContact CG-CG1 4.49Å; M485-I489 WeakPolarHBondContact O-CB 3.36Å; M485-I489 VanDerWaalsContact O-CG1 3.27Å; M485-I489 WeakPolarHBondContact O-CG1 3.4Å; M485-I489 PolarHBondContact O-N 3.32Å; M485-I489 HydrophobicContact SD-CD1 3.87Å; M485-I489 HydrophobicContact SD-CG1 4.22Å; G486-I489 PolarHBondContact O-N 3.28Å; I489-F492 PolarHBondContact O-N 3.18Å; I489-V493 HydrophobicContact CG2-CG2 4.31Å; I489-V493 WeakPolarHBondContact O-CB 3.19Å; I489-V493 WeakPolarHBondContact O-CG2 3.46Å; I489-V493 PolarHBondContact O-N 2.85Å; I489-I501 HydrophobicContact CG1-CD1 4.03Å
490	Q	77.8	Confident	77.6	Confident	53 Å²	53	45.7 Å²	45.7	25%	0.248	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-45.4	173.4	-169	-176.8	2.8	0	0	111.6	G486 K487 F492 V493 D494	G486-Q490 PolarHBondContact O-N 3.09Å; K487-Q490 PolarHBondContact O-N 3.37Å; Q490-F492 VanDerWaalsContact C-N 3.3Å; Q490-F492 PolarHBondContact O-N 3.4Å; Q490-V493 PolarHBondContact O-N 3.22Å; Q490-D494 HydrophobicContact CG-CB 4.31Å; Q490-D494 WeakPolarHBondContact CG-OD2 3.21Å; Q490-D494 PolarHBondContact NE2-OD2 3.07Å; Q490-D494 VanDerWaalsContact O-CB 3.31Å; Q490-D494 WeakPolarHBondContact O-CB 3.44Å; Q490-D494 PolarHBondContact O-N 3.35Å
491	E	80.1	Confident	77.9	Confident	16 Å²	16	46.9 Å²	46.9	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-36.1	178.7	-157	72.4	175.6	0	0	112.2	K487 A488 K495 E497 A500 I552 R556	K487-E491 PolarHBondContact O-N 2.9Å; A488-E491 PolarHBondContact O-N 2.82Å; E491-K495 VanDerWaalsContact CD-NZ 3.3Å; E491-K495 WeakPolarHBondContact O-CB 3.13Å; E491-K495 PolarHBondContact O-N 2.95Å; E491-K495 WeakPolarHBondContact OE1-CD 3.39Å; E491-K495 IonicContact OE1-NZ 3.08Å; E491-K495 PolarHBondContact OE1-NZ 2.69Å; E491-K495 IonicContact OE2-NZ 2.68Å; E491-K495 PolarHBondContact OE2-NZ 2.78Å; E491-E497 HydrophobicContact CG-CB 4.16Å; E491-E497 HydrophobicContact CG-CG 4.31Å; E491-E497 PolarHBondContact O-N 3.48Å; E491-A500 HydrophobicContact CB-CB 4.26Å; E491-A500 HydrophobicContact CG-CB 4.48Å; E491-I552 HydrophobicContact CB-CD1 4.37Å; E491-I552 HydrophobicContact CG-CD1 4.35Å; E491-I552 HydrophobicContact CG-CG2 3.99Å; E491-R556 IonicContact OE1-CZ 3.14Å; E491-R556 IonicContact OE1-NE 2.58Å; E491-R556 IonicContact OE1-NH2 3.28Å; E491-R556 PolarHBondContact OE1-NH2 2.69Å
492	F	78.9	Confident	78.3	Confident	86 Å²	86	52.6 Å²	52.6	38%	0.377	26%	0.256	S	S	.	.	H	α-helix	trans	-64.5	-42.4	173.6	-179.7	-84.6	0	0	0	112.6	A488 I489 Q490 D496 K498 I501	A488-F492 WeakPolarHBondContact O-CB 3.46Å; A488-F492 PolarHBondContact O-N 2.77Å; I489-F492 PolarHBondContact O-N 3.18Å; Q490-F492 VanDerWaalsContact C-N 3.3Å; Q490-F492 PolarHBondContact O-N 3.4Å; F492-D496 WeakPolarHBondContact O-CA 3.44Å; F492-D496 PolarHBondContact O-N 3.39Å; F492-K498 HydrophobicContact CE2-CB 4.32Å; F492-K498 HydrophobicContact CE2-CG 4.34Å; F492-I501 HydrophobicContact CB-CD1 4.03Å; F492-I501 HydrophobicContact CB-CG1 4.28Å; F492-I501 HydrophobicContact CD2-CD1 3.93Å; F492-I501 HydrophobicContact CD2-CG1 4.37Å; F492-I501 HydrophobicContact CG-CD1 3.93Å
493	V	77.1	Confident	78.7	Confident	84 Å²	84	51.7 Å²	51.7	51%	0.509	25%	0.252	S	S	.	.	H	α-helix	trans	-82.7	-52.3	-177.1	173.8	0	0	0	0	112.3	I489 Q490	I489-V493 HydrophobicContact CG2-CG2 4.31Å; I489-V493 WeakPolarHBondContact O-CB 3.19Å; I489-V493 WeakPolarHBondContact O-CG2 3.46Å; I489-V493 PolarHBondContact O-N 2.85Å; Q490-V493 PolarHBondContact O-N 3.22Å
494	D	75.8	Confident	79.1	Confident	95 Å²	95	48.5 Å²	48.5	51%	0.508	24%	0.237	S	C	.	.	H	α-helix	trans	-77.3	-22.6	-172.9	-67.1	5.7	0	0	0	112.5	Q490	Q490-D494 HydrophobicContact CG-CB 4.31Å; Q490-D494 WeakPolarHBondContact CG-OD2 3.21Å; Q490-D494 PolarHBondContact NE2-OD2 3.07Å; Q490-D494 VanDerWaalsContact O-CB 3.31Å; Q490-D494 WeakPolarHBondContact O-CB 3.44Å; Q490-D494 PolarHBondContact O-N 3.35Å
495	K	76.5	Confident	79.3	Confident	104 Å²	104	51.5 Å²	51.5	45%	0.452	25%	0.252	S	S	.	.	H	α-helix	trans	-126.3	4.6	-176.2	-52.7	-155.9	-169.5	65.1	0	116	E491 E497	E491-K495 VanDerWaalsContact CD-NZ 3.3Å; E491-K495 WeakPolarHBondContact O-CB 3.13Å; E491-K495 PolarHBondContact O-N 2.95Å; E491-K495 WeakPolarHBondContact OE1-CD 3.39Å; E491-K495 IonicContact OE1-NZ 3.08Å; E491-K495 PolarHBondContact OE1-NZ 2.69Å; E491-K495 IonicContact OE2-NZ 2.68Å; E491-K495 PolarHBondContact OE2-NZ 2.78Å; K495-E497 HydrophobicContact CB-CG 4.23Å; K495-E497 PolarHBondContact O-N 2.99Å; K495-E497 VanDerWaalsContact O-N 3.15Å
496	D	70.7	Confident	79.5	Confident	70 Å²	70	52.4 Å²	52.4	37%	0.374	26%	0.259	S	S	.	.			trans	57.6	23.1	180	-159.2	22.4	0	0	0	113.4	K96 F492 K498	K96-D496 IonicContact NZ-OD2 2.72Å; K96-D496 PolarHBondContact NZ-OD2 3.44Å; F492-D496 WeakPolarHBondContact O-CA 3.44Å; F492-D496 PolarHBondContact O-N 3.39Å; D496-K498 VanDerWaalsContact C-N 3.33Å; D496-K498 PolarHBondContact O-N 3.23Å; D496-K498 WeakPolarHBondContact OD1-CE 3.42Å; D496-K498 IonicContact OD1-NZ 2.66Å; D496-K498 PolarHBondContact OD1-NZ 2.64Å; D496-K498 IonicContact OD2-NZ 2.86Å
497	E	77	Confident	79.7	Confident	16 Å²	16	53 Å²	53	8%	0.075	26%	0.261	C	S	.	.			trans	-80.3	78.1	179	-73.1	-67.3	170.2	0	0	110.4	E491 K495 D499 A500 R559	E491-E497 HydrophobicContact CG-CB 4.16Å; E491-E497 HydrophobicContact CG-CG 4.31Å; E491-E497 PolarHBondContact O-N 3.48Å; K495-E497 HydrophobicContact CB-CG 4.23Å; K495-E497 PolarHBondContact O-N 2.99Å; K495-E497 VanDerWaalsContact O-N 3.15Å; E497-D499 PolarHBondContact O-N 3.47Å; E497-D499 VanDerWaalsContact O-N 3.14Å; E497-A500 HydrophobicContact CB-CB 4.17Å; E497-A500 WeakPolarHBondContact O-CB 3.17Å; E497-A500 PolarHBondContact O-N 2.91Å; E497-R559 WeakPolarHBondContact OE1-CD 3.24Å; E497-R559 IonicContact OE1-CZ 2.8Å; E497-R559 IonicContact OE1-NE 3.08Å; E497-R559 IonicContact OE1-NH1 2.83Å; E497-R559 PolarHBondContact OE1-NH1 3.12Å
498	K	77.3	Confident	79.8	Confident	125 Å²	125	51.8 Å²	51.8	54%	0.543	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.1	-171.2	-67.4	171.8	-166	-179.2	0	114.3	F492 D496 A500	F492-K498 HydrophobicContact CE2-CB 4.32Å; F492-K498 HydrophobicContact CE2-CG 4.34Å; D496-K498 VanDerWaalsContact C-N 3.33Å; D496-K498 PolarHBondContact O-N 3.23Å; D496-K498 WeakPolarHBondContact OD1-CE 3.42Å; D496-K498 IonicContact OD1-NZ 2.66Å; D496-K498 PolarHBondContact OD1-NZ 2.64Å; D496-K498 IonicContact OD2-NZ 2.86Å; K498-A500 VanDerWaalsContact C-N 3.33Å
499	D	80.9	Confident	79.8	Confident	40 Å²	40	55.1 Å²	55.1	21%	0.214	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-9.9	-179	-68.5	39.4	0	0	0	113	E497 I501 E502 E503 A555 R562	E497-D499 PolarHBondContact O-N 3.47Å; E497-D499 VanDerWaalsContact O-N 3.14Å; D499-I501 VanDerWaalsContact C-N 3.3Å; D499-I501 PolarHBondContact O-N 3.3Å; D499-E502 PolarHBondContact O-N 2.91Å; D499-E503 WeakPolarHBondContact O-CB 3.37Å; D499-E503 PolarHBondContact O-N 3.14Å; D499-A555 HydrophobicContact CB-CB 4.31Å; D499-R562 VanDerWaalsContact CG-NH1 3.34Å; D499-R562 IonicContact OD1-NH1 2.75Å; D499-R562 PolarHBondContact OD1-NH1 3.11Å; D499-R562 IonicContact OD2-CZ 3.67Å; D499-R562 IonicContact OD2-NH1 3.75Å; D499-R562 PolarHBondContact OD2-NH1 3.34Å; D499-R562 IonicContact OD2-NH2 3.95Å; D499-R562 PolarHBondContact OD2-NH2 2.61Å
500	A	80.6	Confident	79.9	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-34.4	-172	0	0	0	0	0	114.1	E491 E497 K498 L504	E491-A500 HydrophobicContact CB-CB 4.26Å; E491-A500 HydrophobicContact CG-CB 4.48Å; E497-A500 HydrophobicContact CB-CB 4.17Å; E497-A500 WeakPolarHBondContact O-CB 3.17Å; E497-A500 PolarHBondContact O-N 2.91Å; K498-A500 VanDerWaalsContact C-N 3.33Å; A500-L504 WeakPolarHBondContact O-CB 3.42Å; A500-L504 PolarHBondContact O-N 2.69Å; A500-L504 VanDerWaalsContact O-N 3.14Å
501	I	81.7	Confident	80.1	Confident	48 Å²	48	55.5 Å²	55.5	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-76.4	-42.6	178.4	-59.7	174.2	0	0	0	110.6	A488 I489 F492 D499 I505	A488-I501 HydrophobicContact CB-CG1 4.28Å; I489-I501 HydrophobicContact CG1-CD1 4.03Å; F492-I501 HydrophobicContact CB-CD1 4.03Å; F492-I501 HydrophobicContact CB-CG1 4.28Å; F492-I501 HydrophobicContact CD2-CD1 3.93Å; F492-I501 HydrophobicContact CD2-CG1 4.37Å; F492-I501 HydrophobicContact CG-CD1 3.93Å; D499-I501 VanDerWaalsContact C-N 3.3Å; D499-I501 PolarHBondContact O-N 3.3Å; I501-I505 HydrophobicContact CG2-CD1 3.97Å; I501-I505 WeakPolarHBondContact O-CD1 3.3Å; I501-I505 VanDerWaalsContact O-CG1 3.24Å; I501-I505 WeakPolarHBondContact O-CG1 3.32Å; I501-I505 PolarHBondContact O-N 3.2Å; I501-I505 VanDerWaalsContact O-N 3.12Å
502	E	83.3	Confident	80.1	Confident	137 Å²	137	55.1 Å²	55.1	64%	0.64	27%	0.272	S	S	*	.	H	α-helix	trans	-66.1	-41.4	178.9	-174.9	171.7	176.9	0	0	111.6	D499 I505 T506	D499-E502 PolarHBondContact O-N 2.91Å; E502-I505 PolarHBondContact O-N 3.44Å; E502-T506 WeakPolarHBondContact O-CB 3.3Å; E502-T506 PolarHBondContact O-N 3.17Å; E502-T506 PolarHBondContact O-OG1 3.09Å
503	E	83.6	Confident	80.2	Confident	18 Å²	18	56 Å²	56	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-73.1	-35.7	178.5	-168.2	58.5	-107.7	0	0	112.3	D499 I505 T506 Y507 R554 A555 H558	D499-E503 WeakPolarHBondContact O-CB 3.37Å; D499-E503 PolarHBondContact O-N 3.14Å; E503-I505 VanDerWaalsContact C-N 3.34Å; E503-I505 PolarHBondContact O-N 3.13Å; E503-T506 PolarHBondContact O-N 3.35Å; E503-Y507 VanDerWaalsContact O-CB 3.24Å; E503-Y507 WeakPolarHBondContact O-CB 3.49Å; E503-Y507 PolarHBondContact O-N 2.73Å; E503-R554 HydrophobicContact CG-CB 3.91Å; E503-R554 HydrophobicContact CG-CG 3.88Å; E503-R554 WeakPolarHBondContact OE1-CD 3.38Å; E503-R554 IonicContact OE1-CZ 2.69Å; E503-R554 IonicContact OE1-NE 3.85Å; E503-R554 PolarHBondContact OE1-NE 2.74Å; E503-R554 IonicContact OE1-NH1 3.6Å; E503-R554 IonicContact OE1-NH2 3.35Å; E503-R554 PolarHBondContact OE1-NH2 3.01Å; E503-R554 VanDerWaalsContact OE1-NH2 3.08Å; E503-R554 IonicContact OE2-CZ 3.35Å; E503-R554 IonicContact OE2-NE 3.61Å; E503-R554 PolarHBondContact OE2-NE 3.2Å; E503-R554 VanDerWaalsContact OE2-NE 3.16Å; E503-R554 IonicContact OE2-NH2 2.89Å; E503-A555 HydrophobicContact CB-CB 4.07Å; E503-A555 HydrophobicContact CG-CB 4.42Å; E503-H558 IonicContact OE2-CD2 3.51Å; E503-H558 PolarHBondContact OE2-CD2 2.66Å; E503-H558 IonicContact OE2-NE2 2.74Å
504	L	83.1	Confident	80.4	Confident	8 Å²	8	58.7 Å²	58.7	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-44.9	171.3	179.5	68.1	0	0	0	111.5	G484 A488 A500 Q508 I548 A551	G484-L504 VanDerWaalsContact C-CD2 3.47Å; G484-L504 WeakPolarHBondContact O-CD2 3.4Å; A488-L504 HydrophobicContact CB-CB 4.31Å; A488-L504 HydrophobicContact CB-CD2 3.62Å; A500-L504 WeakPolarHBondContact O-CB 3.42Å; A500-L504 PolarHBondContact O-N 2.69Å; A500-L504 VanDerWaalsContact O-N 3.14Å; L504-Q508 HydrophobicContact CD1-CG 4.15Å; L504-Q508 WeakPolarHBondContact O-CB 3.41Å; L504-Q508 WeakPolarHBondContact O-CG 3.05Å; L504-Q508 PolarHBondContact O-N 3.34Å; L504-I548 HydrophobicContact CD1-CG1 4.32Å; L504-A551 HydrophobicContact CB-CB 4.46Å; L504-A551 HydrophobicContact CD1-CB 4.03Å
505	I	82.7	Confident	80.6	Confident	64 Å²	64	56.5 Å²	56.5	33%	0.328	27%	0.265	S	S	.	.	H	α-helix	trans	-61.5	-46.3	176.9	-69.1	166.8	0	0	0	110.2	L480 I501 E502 E503 Q508 L509	L480-I505 HydrophobicContact CD1-CG1 3.99Å; I501-I505 HydrophobicContact CG2-CD1 3.97Å; I501-I505 WeakPolarHBondContact O-CD1 3.3Å; I501-I505 VanDerWaalsContact O-CG1 3.24Å; I501-I505 WeakPolarHBondContact O-CG1 3.32Å; I501-I505 PolarHBondContact O-N 3.2Å; I501-I505 VanDerWaalsContact O-N 3.12Å; E502-I505 PolarHBondContact O-N 3.44Å; E503-I505 VanDerWaalsContact C-N 3.34Å; E503-I505 PolarHBondContact O-N 3.13Å; I505-Q508 PolarHBondContact O-N 2.72Å; I505-L509 HydrophobicContact CG2-CD1 3.8Å; I505-L509 HydrophobicContact CG2-CG 4.46Å; I505-L509 WeakPolarHBondContact O-CB 3.42Å; I505-L509 VanDerWaalsContact O-CG 3.27Å; I505-L509 WeakPolarHBondContact O-CG 3.19Å; I505-L509 PolarHBondContact O-N 2.88Å
506	T	83.9	Confident	80.8	Confident	47 Å²	47	52.9 Å²	52.9	29%	0.288	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-47.3	-179.3	-60	0	0	0	0	112	E502 E503 Q508 L509 E510	E502-T506 WeakPolarHBondContact O-CB 3.3Å; E502-T506 PolarHBondContact O-N 3.17Å; E502-T506 PolarHBondContact O-OG1 3.09Å; E503-T506 PolarHBondContact O-N 3.35Å; T506-Q508 PolarHBondContact O-N 2.88Å; T506-L509 PolarHBondContact O-N 2.82Å; T506-E510 WeakPolarHBondContact O-CG 3.42Å; T506-E510 PolarHBondContact O-N 3.35Å
507	Y	82.3	Confident	81.2	Confident	14 Å²	14	56.5 Å²	56.5	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-46.5	176.8	-178.6	-82.8	0	0	0	112.1	E503 E510 K511 D547 E550 A551	E503-Y507 VanDerWaalsContact O-CB 3.24Å; E503-Y507 WeakPolarHBondContact O-CB 3.49Å; E503-Y507 PolarHBondContact O-N 2.73Å; Y507-E510 PolarHBondContact O-N 2.95Å; Y507-K511 HydrophobicContact CE1-CD 3.66Å; Y507-K511 WeakPolarHBondContact O-CB 3.35Å; Y507-K511 PolarHBondContact O-N 2.54Å; Y507-K511 PolarHBondContact OH-NZ 3.42Å; Y507-D547 HydrophobicContact CE1-CB 3.85Å; Y507-E550 HydrophobicContact CE2-CB 4.11Å; Y507-E550 HydrophobicContact CE2-CG 3.86Å; Y507-E550 VanDerWaalsContact CE2-OE2 3.25Å; Y507-E550 WeakPolarHBondContact CE2-OE2 3.47Å; Y507-E550 VanDerWaalsContact CZ-OE2 3.24Å; Y507-E550 PolarHBondContact OH-OE2 3.07Å; Y507-A551 HydrophobicContact CD1-CB 4.48Å; Y507-A551 HydrophobicContact CG-CB 4.1Å
508	Q	80.4	Confident	81.2	Confident	21 Å²	21	60.2 Å²	60.2	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-69.8	-33.5	179.3	-66.9	-63	-11.7	0	0	112.5	L480 L504 I505 T506 T512	L480-Q508 HydrophobicContact CD2-CB 3.86Å; L480-Q508 HydrophobicContact CD2-CG 4.02Å; L504-Q508 HydrophobicContact CD1-CG 4.15Å; L504-Q508 WeakPolarHBondContact O-CB 3.41Å; L504-Q508 WeakPolarHBondContact O-CG 3.05Å; L504-Q508 PolarHBondContact O-N 3.34Å; I505-Q508 PolarHBondContact O-N 2.72Å; T506-Q508 PolarHBondContact O-N 2.88Å; Q508-T512 VanDerWaalsContact O-CB 3.24Å; Q508-T512 WeakPolarHBondContact O-CB 3.49Å; Q508-T512 PolarHBondContact O-N 3.07Å; Q508-T512 PolarHBondContact O-OG1 3.47Å
509	L	82.1	Confident	81	Confident	70 Å²	70	60.5 Å²	60.5	37%	0.366	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-52.1	169.5	-79.1	168.5	0	0	0	111.4	L479 I505 T506 K511 T512 Q513	L479-L509 HydrophobicContact CD2-CD2 3.49Å; L479-L509 VanDerWaalsContact CD2-CD2 3.49Å; L479-L509 HydrophobicContact CD2-CG 3.82Å; I505-L509 HydrophobicContact CG2-CD1 3.8Å; I505-L509 HydrophobicContact CG2-CG 4.46Å; I505-L509 WeakPolarHBondContact O-CB 3.42Å; I505-L509 VanDerWaalsContact O-CG 3.27Å; I505-L509 WeakPolarHBondContact O-CG 3.19Å; I505-L509 PolarHBondContact O-N 2.88Å; T506-L509 PolarHBondContact O-N 2.82Å; L509-K511 VanDerWaalsContact C-N 3.33Å; L509-K511 PolarHBondContact O-N 3.25Å; L509-T512 PolarHBondContact O-N 3.04Å; L509-Q513 WeakPolarHBondContact O-CB 3.27Å; L509-Q513 VanDerWaalsContact O-CG 3.22Å; L509-Q513 WeakPolarHBondContact O-CG 3.46Å; L509-Q513 PolarHBondContact O-N 3.17Å
510	E	83	Confident	80.1	Confident	43 Å²	43	61 Å²	61	20%	0.201	31%	0.305	C	S	.	.	H	α-helix	trans	-54.8	-47.5	176.9	-78.2	-175.6	-153.2	0	0	111.7	T506 Y507 Q513 R514 R554	T506-E510 WeakPolarHBondContact O-CG 3.42Å; T506-E510 PolarHBondContact O-N 3.35Å; Y507-E510 PolarHBondContact O-N 2.95Å; E510-Q513 PolarHBondContact O-N 3.31Å; E510-R514 VanDerWaalsContact O-CG 3.26Å; E510-R514 WeakPolarHBondContact O-CG 3.35Å; E510-R514 PolarHBondContact O-N 3.46Å; E510-R514 IonicContact OE2-CZ 2.66Å; E510-R514 VanDerWaalsContact OE2-CZ 3.22Å; E510-R514 IonicContact OE2-NH1 3.55Å; E510-R514 PolarHBondContact OE2-NH1 3Å; E510-R514 IonicContact OE2-NH2 3.67Å; E510-R514 PolarHBondContact OE2-NH2 3.5Å; E510-R554 IonicContact OE1-CZ 3.46Å; E510-R554 VanDerWaalsContact OE1-CZ 3.28Å; E510-R554 IonicContact OE1-NH1 3.32Å; E510-R554 PolarHBondContact OE1-NH1 2.87Å; E510-R554 IonicContact OE1-NH2 3.55Å; E510-R554 PolarHBondContact OE1-NH2 3.05Å; E510-R554 IonicContact OE2-NH1 3.08Å; E510-R554 PolarHBondContact OE2-NH1 2.74Å
511	K	81.3	Confident	79.4	Confident	58 Å²	58	62.7 Å²	62.7	25%	0.252	32%	0.315	S	S	.	.	H	α-helix	trans	-68.7	-39.5	-176	-160.5	161.6	-167.2	167.5	0	112	Y507 L509 R514 H515 F534 D547	Y507-K511 HydrophobicContact CE1-CD 3.66Å; Y507-K511 WeakPolarHBondContact O-CB 3.35Å; Y507-K511 PolarHBondContact O-N 2.54Å; Y507-K511 PolarHBondContact OH-NZ 3.42Å; L509-K511 VanDerWaalsContact C-N 3.33Å; L509-K511 PolarHBondContact O-N 3.25Å; K511-R514 PolarHBondContact O-N 3.5Å; K511-H515 PolarHBondContact O-N 2.97Å; K511-F534 HydrophobicContact CG-CZ 4.49Å; K511-D547 WeakPolarHBondContact CD-OD2 3.46Å; K511-D547 IonicContact NZ-OD1 2.68Å; K511-D547 PolarHBondContact NZ-OD1 2.58Å; K511-D547 IonicContact NZ-OD2 3.51Å; K511-D547 PolarHBondContact NZ-OD2 3.02Å; K511-D547 VanDerWaalsContact NZ-OD2 3.14Å
512	T	79.7	Confident	78.4	Confident	8 Å²	8	66.8 Å²	66.8	5%	0.049	34%	0.342	C	S	.	.	H	α-helix	trans	-69.8	-39.9	176.1	-55.5	0	0	0	0	111.7	L479 Q508 L509 H515 L516 I531 F534	L479-T512 HydrophobicContact CD1-CG2 3.81Å; L479-T512 WeakPolarHBondContact CD1-OG1 3.43Å; Q508-T512 VanDerWaalsContact O-CB 3.24Å; Q508-T512 WeakPolarHBondContact O-CB 3.49Å; Q508-T512 PolarHBondContact O-N 3.07Å; Q508-T512 PolarHBondContact O-OG1 3.47Å; L509-T512 PolarHBondContact O-N 3.04Å; T512-H515 WeakPolarHBondContact O-CB 3.35Å; T512-H515 PolarHBondContact O-N 2.91Å; T512-L516 HydrophobicContact CG2-CD1 4.19Å; T512-L516 WeakPolarHBondContact O-CG 3.27Å; T512-L516 PolarHBondContact O-N 3.49Å; T512-I531 HydrophobicContact CG2-CG1 3.93Å; T512-F534 HydrophobicContact CG2-CD1 4.42Å
513	Q	81	Confident	77.6	Confident	105 Å²	105	63.7 Å²	63.7	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-44.6	173.8	-73.3	173.5	20.2	0	0	111.8	L509 E510 H515 L516 Q517	L509-Q513 WeakPolarHBondContact O-CB 3.27Å; L509-Q513 VanDerWaalsContact O-CG 3.22Å; L509-Q513 WeakPolarHBondContact O-CG 3.46Å; L509-Q513 PolarHBondContact O-N 3.17Å; E510-Q513 PolarHBondContact O-N 3.31Å; Q513-H515 VanDerWaalsContact C-N 3.3Å; Q513-H515 PolarHBondContact O-N 3.31Å; Q513-L516 PolarHBondContact O-N 3.46Å; Q513-Q517 WeakPolarHBondContact O-CB 3.24Å; Q513-Q517 WeakPolarHBondContact O-CG 3.45Å; Q513-Q517 PolarHBondContact O-N 2.81Å
514	R	82.6	Confident	76.6	Confident	140 Å²	140	70.9 Å²	70.9	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-40.2	173.5	-71.9	168.2	-173.9	132.5	10.6	111.9	E510 K511 S518	E510-R514 VanDerWaalsContact O-CG 3.26Å; E510-R514 WeakPolarHBondContact O-CG 3.35Å; E510-R514 PolarHBondContact O-N 3.46Å; E510-R514 IonicContact OE2-CZ 2.66Å; E510-R514 VanDerWaalsContact OE2-CZ 3.22Å; E510-R514 IonicContact OE2-NH1 3.55Å; E510-R514 PolarHBondContact OE2-NH1 3Å; E510-R514 IonicContact OE2-NH2 3.67Å; E510-R514 PolarHBondContact OE2-NH2 3.5Å; K511-R514 PolarHBondContact O-N 3.5Å; R514-S518 WeakPolarHBondContact O-CB 3.34Å; R514-S518 PolarHBondContact O-N 3.17Å
515	H	79.6	Confident	75.6	Confident	50 Å²	50	78.6 Å²	78.6	23%	0.231	40%	0.402	C	S	.	.	H	α-helix	trans	-64.7	-48.1	177.4	-170.5	76.8	0	0	0	112.3	K511 T512 Q513 Q517 S518 R519 E530 F534	K511-H515 PolarHBondContact O-N 2.97Å; T512-H515 WeakPolarHBondContact O-CB 3.35Å; T512-H515 PolarHBondContact O-N 2.91Å; Q513-H515 VanDerWaalsContact C-N 3.3Å; Q513-H515 PolarHBondContact O-N 3.31Å; H515-Q517 PolarHBondContact O-N 2.99Å; H515-S518 PolarHBondContact O-N 3.48Å; H515-S518 VanDerWaalsContact O-N 3.13Å; H515-S518 PolarHBondContact O-OG 2.9Å; H515-R519 PolarHBondContact CE1-NH2 2.79Å; H515-R519 PolarHBondContact NE2-NE 2.93Å; H515-R519 VanDerWaalsContact NE2-NE 3.13Å; H515-R519 PolarHBondContact NE2-NH2 3.16Å; H515-R519 PolarHBondContact O-N 3.35Å; H515-R519 VanDerWaalsContact O-N 3.15Å; H515-E530 IonicContact NE2-OE1 2.68Å; H515-F534 HydrophobicContact CB-CD2 4.47Å; H515-F534 HydrophobicContact CB-CE2 4.14Å; H515-F534 HydrophobicContact CB-CZ 4.18Å; H515-F534 AromaticContact CD2-CD2 3.61Å; H515-F534 AromaticContact CD2-CG 3.96Å; H515-F534 AromaticContact CG-CD2 3.75Å; H515-F534 AromaticContact CG-CE2 3.7Å; H515-F534 AromaticContact ND1-CD2 3.81Å; H515-F534 AromaticContact ND1-CE2 3.59Å; H515-F534 AromaticContact NE2-CD2 3.77Å
516	L	79.8	Confident	74.9	Confident	28 Å²	28	79.8 Å²	79.8	15%	0.147	41%	0.41	C	S	.	.	H	α-helix	trans	-62	-43.3	177.8	-70	167.3	0	0	0	112	T512 Q513 S518 R519 G520 V521 I527 E530 I531	T512-L516 HydrophobicContact CG2-CD1 4.19Å; T512-L516 WeakPolarHBondContact O-CG 3.27Å; T512-L516 PolarHBondContact O-N 3.49Å; Q513-L516 PolarHBondContact O-N 3.46Å; L516-S518 VanDerWaalsContact C-N 3.32Å; L516-S518 PolarHBondContact O-N 3.44Å; L516-R519 PolarHBondContact O-N 3.04Å; L516-G520 PolarHBondContact O-N 3.36Å; L516-G520 VanDerWaalsContact O-N 3.11Å; L516-V521 HydrophobicContact CD2-CG2 4.39Å; L516-I527 HydrophobicContact CD1-CG2 3.97Å; L516-I527 HydrophobicContact CD2-CG2 4.2Å; L516-E530 HydrophobicContact CD2-CB 4.16Å; L516-E530 HydrophobicContact CD2-CG 4.29Å; L516-I531 HydrophobicContact CD1-CD1 4.2Å; L516-I531 HydrophobicContact CD1-CG1 4.12Å; L516-I531 HydrophobicContact CD2-CG1 4.45Å
517	Q	78.8	Confident	74.4	Confident	146 Å²	146	80 Å²	80	68%	0.682	41%	0.409	S	S	*	.	H	α-helix	trans	-59.8	-40.4	172.8	-71.8	168.9	12	0	0	111.8	Q513 H515 R519 G520	Q513-Q517 WeakPolarHBondContact O-CB 3.24Å; Q513-Q517 WeakPolarHBondContact O-CG 3.45Å; Q513-Q517 PolarHBondContact O-N 2.81Å; H515-Q517 PolarHBondContact O-N 2.99Å; Q517-R519 VanDerWaalsContact C-N 3.31Å; Q517-R519 PolarHBondContact O-N 3.43Å; Q517-G520 PolarHBondContact O-N 3.34Å
518	S	78.1	Confident	73.8	Confident	93 Å²	93	84.3 Å²	84.3	65%	0.65	43%	0.433	S	S	*	.	H	α-helix	trans	-67.3	-27.9	179.5	81.2	0	0	0	0	113.8	R514 H515 L516	R514-S518 WeakPolarHBondContact O-CB 3.34Å; R514-S518 PolarHBondContact O-N 3.17Å; H515-S518 PolarHBondContact O-N 3.48Å; H515-S518 VanDerWaalsContact O-N 3.13Å; H515-S518 PolarHBondContact O-OG 2.9Å; L516-S518 VanDerWaalsContact C-N 3.32Å; L516-S518 PolarHBondContact O-N 3.44Å
519	R	72.6	Confident	73.4	Confident	132 Å²	132	85.1 Å²	85.1	50%	0.498	44%	0.442	S	S	.	.	H	α-helix	trans	-92	-10.4	176.9	-69.4	-165.5	-177.9	-168.2	8.9	114.4	H515 L516 Q517 V521 E530	H515-R519 PolarHBondContact CE1-NH2 2.79Å; H515-R519 PolarHBondContact NE2-NE 2.93Å; H515-R519 VanDerWaalsContact NE2-NE 3.13Å; H515-R519 PolarHBondContact NE2-NH2 3.16Å; H515-R519 PolarHBondContact O-N 3.35Å; H515-R519 VanDerWaalsContact O-N 3.15Å; L516-R519 PolarHBondContact O-N 3.04Å; Q517-R519 VanDerWaalsContact C-N 3.31Å; Q517-R519 PolarHBondContact O-N 3.43Å; R519-V521 VanDerWaalsContact C-N 3.32Å; R519-V521 HydrophobicContact CB-CG2 3.91Å; R519-V521 PolarHBondContact O-N 2.98Å; R519-E530 WeakPolarHBondContact CD-OE2 3.22Å; R519-E530 IonicContact CZ-OE1 2.92Å; R519-E530 IonicContact CZ-OE2 3.37Å; R519-E530 IonicContact NE-OE2 3.58Å; R519-E530 IonicContact NH1-OE1 3.22Å; R519-E530 PolarHBondContact NH1-OE1 3.06Å; R519-E530 IonicContact NH1-OE2 3.96Å; R519-E530 PolarHBondContact NH1-OE2 3.34Å
520	G	62.2	Low	73	Confident	51 Å²	51	82.8 Å²	82.8	53%	0.526	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	27.8	177.9	0	0	0	0	0	114.6	L516 Q517 T522	L516-G520 PolarHBondContact O-N 3.36Å; L516-G520 VanDerWaalsContact O-N 3.11Å; Q517-G520 PolarHBondContact O-N 3.34Å; G520-T522 PolarHBondContact O-N 2.95Å
521	V	64.9	Low	72.7	Confident	35 Å²	35	82.2 Å²	82.2	21%	0.212	43%	0.428	C	S	.	.			trans	-69.3	128.6	179.9	-166.5	0	0	0	0	109.7	L516 R519 D526 I527	L516-V521 HydrophobicContact CD2-CG2 4.39Å; R519-V521 VanDerWaalsContact C-N 3.32Å; R519-V521 HydrophobicContact CB-CG2 3.91Å; R519-V521 PolarHBondContact O-N 2.98Å; V521-D526 HydrophobicContact CG1-CB 3.53Å; V521-I527 HydrophobicContact CB-CG1 4.26Å; V521-I527 HydrophobicContact CG1-CG1 3.71Å
522	T	61.7	Low	72.2	Confident	134 Å²	134	84.3 Å²	84.3	82%	0.822	44%	0.439	S	S	*	.			trans	-128.7	4.2	-171.5	42.5	0	0	0	0	114.2	G520	G520-T522 PolarHBondContact O-N 2.95Å
523	T	65.4	Low	72	Confident	72 Å²	72	89.8 Å²	89.8	44%	0.442	46%	0.462	S	S	.	.	S	Bend	trans	-124.2	128	-174.3	23.9	0	0	0	0	110.2	Q525 D526 I527	T523-Q525 VanDerWaalsContact C-N 3.33Å; T523-Q525 PolarHBondContact O-N 3.23Å; T523-D526 VanDerWaalsContact CB-OD2 3.31Å; T523-D526 WeakPolarHBondContact CB-OD2 3.33Å; T523-D526 PolarHBondContact O-N 2.86Å; T523-D526 PolarHBondContact OG1-OD2 3.16Å; T523-I527 WeakPolarHBondContact O-CG1 3.19Å; T523-I527 PolarHBondContact O-N 2.96Å; T523-I527 VanDerWaalsContact O-N 3.09Å
524	E	62.7	Low	71.7	Confident	169 Å²	169	85.8 Å²	85.8	79%	0.79	44%	0.443	S	S	*	.	H	α-helix	trans	-53.9	-44.2	-170.8	-62.7	177.1	151.7	0	0	113.3	D526 I527 D528	E524-D526 VanDerWaalsContact C-N 3.31Å; E524-D526 PolarHBondContact O-N 2.99Å; E524-I527 WeakPolarHBondContact O-CB 3.24Å; E524-I527 PolarHBondContact O-N 3.2Å; E524-D528 PolarHBondContact O-N 3.5Å
525	Q	63.5	Low	71.2	Confident	170 Å²	170	81.2 Å²	81.2	79%	0.794	43%	0.425	S	S	*	.	H	α-helix	trans	-67.2	-29.1	-179.9	-64.4	-178.9	-5.7	0	0	113.4	T523 A529	T523-Q525 VanDerWaalsContact C-N 3.33Å; T523-Q525 PolarHBondContact O-N 3.23Å; Q525-A529 WeakPolarHBondContact O-CB 3.48Å; Q525-A529 PolarHBondContact O-N 3.38Å
526	D	68.4	Low	70.7	Confident	90 Å²	90	83 Å²	83	48%	0.481	44%	0.436	S	S	.	.	H	α-helix	trans	-79.9	-27.3	175.4	-64.8	-64.2	0	0	0	111.7	V521 T523 E524 E530	V521-D526 HydrophobicContact CG1-CB 3.53Å; T523-D526 VanDerWaalsContact CB-OD2 3.31Å; T523-D526 WeakPolarHBondContact CB-OD2 3.33Å; T523-D526 PolarHBondContact O-N 2.86Å; T523-D526 PolarHBondContact OG1-OD2 3.16Å; E524-D526 VanDerWaalsContact C-N 3.31Å; E524-D526 PolarHBondContact O-N 2.99Å; D526-E530 VanDerWaalsContact O-CB 3.27Å; D526-E530 WeakPolarHBondContact O-CB 3.25Å; D526-E530 PolarHBondContact O-N 3.12Å
527	I	71.8	Confident	70.2	Confident	52 Å²	52	85.4 Å²	85.4	27%	0.267	46%	0.456	S	S	.	.	H	α-helix	trans	-65	-53.6	174.6	-67.1	170.4	0	0	0	109.9	L516 V521 T523 E524 A529 E530 I531	L516-I527 HydrophobicContact CD1-CG2 3.97Å; L516-I527 HydrophobicContact CD2-CG2 4.2Å; V521-I527 HydrophobicContact CB-CG1 4.26Å; V521-I527 HydrophobicContact CG1-CG1 3.71Å; T523-I527 WeakPolarHBondContact O-CG1 3.19Å; T523-I527 PolarHBondContact O-N 2.96Å; T523-I527 VanDerWaalsContact O-N 3.09Å; E524-I527 WeakPolarHBondContact O-CB 3.24Å; E524-I527 PolarHBondContact O-N 3.2Å; I527-A529 VanDerWaalsContact C-N 3.31Å; I527-A529 PolarHBondContact O-N 3.45Å; I527-E530 PolarHBondContact O-N 3.46Å; I527-E530 VanDerWaalsContact O-N 3.12Å; I527-I531 HydrophobicContact CG2-CD1 3.7Å; I527-I531 HydrophobicContact CG2-CG1 4.36Å; I527-I531 WeakPolarHBondContact O-CG1 3.35Å; I527-I531 PolarHBondContact O-N 3.3Å
528	D	69.8	Low	69.6	Low	104 Å²	104	79.2 Å²	79.2	56%	0.556	43%	0.427	S	S	*	.	H	α-helix	trans	-59.3	-43.1	178.8	-75.1	-23.3	0	0	0	111.9	E524 E530 I531 Q532	E524-D528 PolarHBondContact O-N 3.5Å; D528-E530 VanDerWaalsContact C-N 3.29Å; D528-E530 PolarHBondContact O-N 3.46Å; D528-I531 PolarHBondContact O-N 3.4Å; D528-Q532 WeakPolarHBondContact O-CG 3.2Å; D528-Q532 PolarHBondContact O-N 3.26Å
529	A	72.4	Confident	69	Low	37 Å²	37	78.5 Å²	78.5	31%	0.306	41%	0.412	S	S	.	.	H	α-helix	trans	-68.4	-24	178.5	0	0	0	0	0	113.5	Q525 I527 K533	Q525-A529 WeakPolarHBondContact O-CB 3.48Å; Q525-A529 PolarHBondContact O-N 3.38Å; I527-A529 VanDerWaalsContact C-N 3.31Å; I527-A529 PolarHBondContact O-N 3.45Å; A529-K533 WeakPolarHBondContact O-CD 3.43Å; A529-K533 VanDerWaalsContact O-CE 3.25Å; A529-K533 WeakPolarHBondContact O-CE 3.18Å; A529-K533 WeakPolarHBondContact O-CG 3.43Å
530	E	74.6	Confident	68.4	Low	22 Å²	22	77.6 Å²	77.6	10%	0.103	42%	0.417	C	S	.	.	H	α-helix	trans	-86.7	-35.3	174.2	-166.2	68.9	-96.3	0	0	112.2	H515 L516 R519 D526 I527 D528 Q532 K533 F534	H515-E530 IonicContact NE2-OE1 2.68Å; L516-E530 HydrophobicContact CD2-CB 4.16Å; L516-E530 HydrophobicContact CD2-CG 4.29Å; R519-E530 WeakPolarHBondContact CD-OE2 3.22Å; R519-E530 IonicContact CZ-OE1 2.92Å; R519-E530 IonicContact CZ-OE2 3.37Å; R519-E530 IonicContact NE-OE2 3.58Å; R519-E530 IonicContact NH1-OE1 3.22Å; R519-E530 PolarHBondContact NH1-OE1 3.06Å; R519-E530 IonicContact NH1-OE2 3.96Å; R519-E530 PolarHBondContact NH1-OE2 3.34Å; D526-E530 VanDerWaalsContact O-CB 3.27Å; D526-E530 WeakPolarHBondContact O-CB 3.25Å; D526-E530 PolarHBondContact O-N 3.12Å; I527-E530 PolarHBondContact O-N 3.46Å; I527-E530 VanDerWaalsContact O-N 3.12Å; D528-E530 VanDerWaalsContact C-N 3.29Å; D528-E530 PolarHBondContact O-N 3.46Å; E530-Q532 VanDerWaalsContact C-N 3.35Å; E530-K533 PolarHBondContact O-N 2.85Å; E530-F534 WeakPolarHBondContact O-CB 3.31Å; E530-F534 PolarHBondContact O-N 3.33Å
531	I	75.1	Confident	68.9	Low	30 Å²	30	77.4 Å²	77.4	15%	0.154	41%	0.406	C	S	.	.	H	α-helix	trans	-60.1	-46.3	172.6	-68	168.4	0	0	0	110	L479 T512 L516 I527 D528 K533 F534 R535	L479-I531 HydrophobicContact CD1-CG2 4.27Å; T512-I531 HydrophobicContact CG2-CG1 3.93Å; L516-I531 HydrophobicContact CD1-CD1 4.2Å; L516-I531 HydrophobicContact CD1-CG1 4.12Å; L516-I531 HydrophobicContact CD2-CG1 4.45Å; I527-I531 HydrophobicContact CG2-CD1 3.7Å; I527-I531 HydrophobicContact CG2-CG1 4.36Å; I527-I531 WeakPolarHBondContact O-CG1 3.35Å; I527-I531 PolarHBondContact O-N 3.3Å; D528-I531 PolarHBondContact O-N 3.4Å; I531-K533 PolarHBondContact O-N 3.15Å; I531-F534 PolarHBondContact O-N 3.44Å; I531-R535 WeakPolarHBondContact O-CB 3.3Å; I531-R535 PolarHBondContact O-N 3.44Å
532	Q	72.5	Confident	69	Low	103 Å²	103	80.9 Å²	80.9	48%	0.481	43%	0.427	S	S	.	.	H	α-helix	trans	-60.7	-45.6	176.3	-71.4	179.3	8.3	0	0	112.1	D528 E530 F534 R535 D536	D528-Q532 WeakPolarHBondContact O-CG 3.2Å; D528-Q532 PolarHBondContact O-N 3.26Å; E530-Q532 VanDerWaalsContact C-N 3.35Å; Q532-F534 VanDerWaalsContact C-N 3.34Å; Q532-F534 PolarHBondContact O-N 3.45Å; Q532-R535 PolarHBondContact O-N 3.25Å; Q532-D536 VanDerWaalsContact O-CB 3.3Å; Q532-D536 WeakPolarHBondContact O-CB 3.3Å; Q532-D536 PolarHBondContact O-N 3.3Å
533	K	74.4	Confident	69.2	Low	122 Å²	122	80.3 Å²	80.3	53%	0.53	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-40.7	175.2	-71.6	165	-162.5	152.5	0	112.3	A529 E530 I531 S537	A529-K533 WeakPolarHBondContact O-CD 3.43Å; A529-K533 VanDerWaalsContact O-CE 3.25Å; A529-K533 WeakPolarHBondContact O-CE 3.18Å; A529-K533 WeakPolarHBondContact O-CG 3.43Å; E530-K533 PolarHBondContact O-N 2.85Å; I531-K533 PolarHBondContact O-N 3.15Å; K533-S537 WeakPolarHBondContact O-CB 3.37Å; K533-S537 PolarHBondContact O-N 2.86Å; K533-S537 PolarHBondContact O-OG 3.49Å
534	F	74.2	Confident	69.3	Low	21 Å²	21	77.1 Å²	77.1	9%	0.092	40%	0.395	C	S	.	.	H	α-helix	trans	-65.1	-48.5	179.4	-174.6	-116	0	0	0	111.1	K511 T512 H515 E530 I531 Q532 S537 K538	K511-F534 HydrophobicContact CG-CZ 4.49Å; T512-F534 HydrophobicContact CG2-CD1 4.42Å; H515-F534 HydrophobicContact CB-CD2 4.47Å; H515-F534 HydrophobicContact CB-CE2 4.14Å; H515-F534 HydrophobicContact CB-CZ 4.18Å; H515-F534 AromaticContact CD2-CD2 3.61Å; H515-F534 AromaticContact CD2-CG 3.96Å; H515-F534 AromaticContact CG-CD2 3.75Å; H515-F534 AromaticContact CG-CE2 3.7Å; H515-F534 AromaticContact ND1-CD2 3.81Å; H515-F534 AromaticContact ND1-CE2 3.59Å; H515-F534 AromaticContact NE2-CD2 3.77Å; E530-F534 WeakPolarHBondContact O-CB 3.31Å; E530-F534 PolarHBondContact O-N 3.33Å; I531-F534 PolarHBondContact O-N 3.44Å; Q532-F534 VanDerWaalsContact C-N 3.34Å; Q532-F534 PolarHBondContact O-N 3.45Å; F534-S537 PolarHBondContact O-N 2.89Å; F534-S537 PolarHBondContact O-OG 3.34Å; F534-K538 HydrophobicContact CZ-CD 4.4Å; F534-K538 PolarHBondContact O-N 3.07Å
535	R	72.4	Confident	69.6	Low	44 Å²	44	72.8 Å²	72.8	17%	0.166	38%	0.375	C	S	.	.	H	α-helix	trans	-56.2	-51.3	172.9	-173.7	-160.7	68.5	-177.2	-4.2	111.5	L477 T481 I531 Q532 S537 K538 K539	L477-R535 PolarHBondContact O-NH1 2.67Å; T481-R535 HydrophobicContact CG2-CG 4.16Å; I531-R535 WeakPolarHBondContact O-CB 3.3Å; I531-R535 PolarHBondContact O-N 3.44Å; Q532-R535 PolarHBondContact O-N 3.25Å; R535-S537 VanDerWaalsContact C-N 3.33Å; R535-S537 PolarHBondContact O-N 3.32Å; R535-K538 PolarHBondContact O-N 2.78Å; R535-K538 VanDerWaalsContact O-N 3.09Å; R535-K539 PolarHBondContact O-N 3.42Å
536	D	69.8	Low	70	Confident	87 Å²	87	68.9 Å²	68.9	47%	0.465	36%	0.359	S	S	.	.	H	α-helix	trans	-72.1	-27.1	-174.4	-66.9	-4.2	0	0	0	112.4	Q532 K538	Q532-D536 VanDerWaalsContact O-CB 3.3Å; Q532-D536 WeakPolarHBondContact O-CB 3.3Å; Q532-D536 PolarHBondContact O-N 3.3Å; D536-K538 VanDerWaalsContact C-N 3.26Å; D536-K538 PolarHBondContact O-N 3.44Å
537	S	70	Confident	70.3	Confident	80 Å²	80	65 Å²	65	56%	0.559	34%	0.339	S	S	*	.	H	α-helix	trans	-70.3	-20.4	171.1	71.5	0	0	0	0	113.9	K533 F534 R535	K533-S537 WeakPolarHBondContact O-CB 3.37Å; K533-S537 PolarHBondContact O-N 2.86Å; K533-S537 PolarHBondContact O-OG 3.49Å; F534-S537 PolarHBondContact O-N 2.89Å; F534-S537 PolarHBondContact O-OG 3.34Å; R535-S537 VanDerWaalsContact C-N 3.33Å; R535-S537 PolarHBondContact O-N 3.32Å
538	K	64.7	Low	70.4	Confident	16 Å²	16	62.8 Å²	62.8	7%	0.07	33%	0.328	C	S	.	.	H	α-helix	trans	-98.6	-23.5	179.3	-78.6	-172.1	167.7	-168.8	0	114.4	F534 R535 D536 N540 T541 D547	F534-K538 HydrophobicContact CZ-CD 4.4Å; F534-K538 PolarHBondContact O-N 3.07Å; R535-K538 PolarHBondContact O-N 2.78Å; R535-K538 VanDerWaalsContact O-N 3.09Å; D536-K538 VanDerWaalsContact C-N 3.26Å; D536-K538 PolarHBondContact O-N 3.44Å; K538-N540 PolarHBondContact O-N 3.37Å; K538-T541 VanDerWaalsContact O-CB 3.3Å; K538-T541 WeakPolarHBondContact O-CB 3.33Å; K538-T541 VanDerWaalsContact O-CG2 3.31Å; K538-T541 WeakPolarHBondContact O-CG2 3.45Å; K538-T541 PolarHBondContact O-N 3.09Å; K538-T541 PolarHBondContact O-OG1 2.99Å; K538-D547 IonicContact NZ-OD2 3.56Å; K538-D547 PolarHBondContact NZ-OD2 3.17Å
539	K	65.1	Low	70.7	Confident	77 Å²	77	62.5 Å²	62.5	34%	0.335	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	119.1	-172.4	-170.6	166.3	-176.3	169.8	0	111.6	E482 R535 E544	E482-K539 IonicContact OE1-NZ 2.68Å; E482-K539 PolarHBondContact OE1-NZ 3.01Å; E482-K539 WeakPolarHBondContact OE2-CE 3.32Å; E482-K539 IonicContact OE2-NZ 3.91Å; E482-K539 PolarHBondContact OE2-NZ 3.37Å; R535-K539 PolarHBondContact O-N 3.42Å; K539-E544 VanDerWaalsContact CA-OE2 3.3Å; K539-E544 WeakPolarHBondContact CA-OE2 3.36Å
540	N	61.3	Low	71.1	Confident	113 Å²	113	66 Å²	66	60%	0.604	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	28.4	-173.3	-45.1	-56.2	0	0	0	115.6	Q483 K538 E544	Q483-N540 PolarHBondContact NE2-OD1 3.23Å; K538-N540 PolarHBondContact O-N 3.37Å; N540-E544 PolarHBondContact N-OE2 3Å
541	T	72.3	Confident	71.2	Confident	47 Å²	47	65 Å²	65	29%	0.288	33%	0.327	S	S	.	.			trans	-98.2	158	173.6	63.8	0	0	0	0	112.3	K538 E543 E544 E545	K538-T541 VanDerWaalsContact O-CB 3.3Å; K538-T541 WeakPolarHBondContact O-CB 3.33Å; K538-T541 VanDerWaalsContact O-CG2 3.31Å; K538-T541 WeakPolarHBondContact O-CG2 3.45Å; K538-T541 PolarHBondContact O-N 3.09Å; K538-T541 PolarHBondContact O-OG1 2.99Å; T541-E543 PolarHBondContact O-N 3.07Å; T541-E544 VanDerWaalsContact O-CB 3.3Å; T541-E544 WeakPolarHBondContact O-CB 3.25Å; T541-E544 PolarHBondContact O-N 3.39Å; T541-E544 PolarHBondContact OG1-N 3.37Å; T541-E545 PolarHBondContact O-N 3.12Å
542	T	66.3	Low	71.3	Confident	108 Å²	108	64.5 Å²	64.5	66%	0.663	32%	0.324	S	S	*	.	H	α-helix	trans	-63.4	-28.1	172	51.1	0	0	0	0	112.5	E544 E545 D546	T542-E544 VanDerWaalsContact C-N 3.28Å; T542-E544 PolarHBondContact O-N 3.24Å; T542-E545 PolarHBondContact O-N 3.45Å; T542-D546 PolarHBondContact O-N 2.75Å
543	E	66	Low	71.6	Confident	122 Å²	122	64 Å²	64	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-63.4	-33.5	172	-62.6	-173.3	-167.3	0	0	112	T541 D547	T541-E543 PolarHBondContact O-N 3.07Å; E543-D547 VanDerWaalsContact O-CB 3.25Å; E543-D547 WeakPolarHBondContact O-CB 3.24Å; E543-D547 PolarHBondContact O-N 3.41Å; E543-D547 VanDerWaalsContact O-OD1 3.07Å
544	E	68	Low	72	Confident	6 Å²	6	61.8 Å²	61.8	3%	0.028	31%	0.313	C	S	.	.	H	α-helix	trans	-64.9	-44	173.4	-168.7	-174.7	164.3	0	0	111	T481 K539 N540 T541 T542 D547 I548	T481-E544 WeakPolarHBondContact CB-OE1 3.4Å; T481-E544 WeakPolarHBondContact CG2-OE1 3.22Å; T481-E544 PolarHBondContact OG1-OE1 2.64Å; K539-E544 VanDerWaalsContact CA-OE2 3.3Å; K539-E544 WeakPolarHBondContact CA-OE2 3.36Å; N540-E544 PolarHBondContact N-OE2 3Å; T541-E544 VanDerWaalsContact O-CB 3.3Å; T541-E544 WeakPolarHBondContact O-CB 3.25Å; T541-E544 PolarHBondContact O-N 3.39Å; T541-E544 PolarHBondContact OG1-N 3.37Å; T542-E544 VanDerWaalsContact C-N 3.28Å; T542-E544 PolarHBondContact O-N 3.24Å; E544-D547 PolarHBondContact O-N 2.89Å; E544-I548 HydrophobicContact CG-CD1 4.08Å; E544-I548 VanDerWaalsContact O-CD1 3.27Å; E544-I548 WeakPolarHBondContact O-CD1 3.4Å; E544-I548 WeakPolarHBondContact O-CG1 3.36Å; E544-I548 PolarHBondContact O-N 2.93Å; E544-I548 VanDerWaalsContact O-N 3.07Å
545	E	68.2	Low	72	Confident	77 Å²	77	60.9 Å²	60.9	36%	0.36	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-38.8	178.5	-64	-146.3	121.2	0	0	113.4	K487 T541 T542 I548 K549	K487-E545 IonicContact NZ-OE1 2.95Å; K487-E545 PolarHBondContact NZ-OE1 3.34Å; T541-E545 PolarHBondContact O-N 3.12Å; T542-E545 PolarHBondContact O-N 3.45Å; E545-I548 PolarHBondContact O-N 2.97Å; E545-K549 WeakPolarHBondContact O-CD 3.25Å; E545-K549 WeakPolarHBondContact O-CE 3.31Å; E545-K549 VanDerWaalsContact O-CG 3.24Å; E545-K549 WeakPolarHBondContact O-CG 3.46Å; E545-K549 PolarHBondContact O-N 2.68Å
546	D	72.6	Confident	72.2	Confident	88 Å²	88	63.2 Å²	63.2	47%	0.471	32%	0.319	S	S	.	.	H	α-helix	trans	-74	-33.9	178.5	-70.3	-18.4	0	0	0	111.9	T542 I548 K549 E550	T542-D546 PolarHBondContact O-N 2.75Å; D546-I548 VanDerWaalsContact C-N 3.35Å; D546-I548 PolarHBondContact O-N 3.41Å; D546-K549 PolarHBondContact O-N 2.93Å; D546-K549 IonicContact OD1-NZ 3.3Å; D546-K549 PolarHBondContact OD1-NZ 3.38Å; D546-E550 PolarHBondContact O-N 2.98Å
547	D	75.8	Confident	72.5	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.043	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-42	169.9	-77.4	12.8	0	0	0	112	Y507 K511 K538 E543 E544 E550 A551	Y507-D547 HydrophobicContact CE1-CB 3.85Å; K511-D547 WeakPolarHBondContact CD-OD2 3.46Å; K511-D547 IonicContact NZ-OD1 2.68Å; K511-D547 PolarHBondContact NZ-OD1 2.58Å; K511-D547 IonicContact NZ-OD2 3.51Å; K511-D547 PolarHBondContact NZ-OD2 3.02Å; K511-D547 VanDerWaalsContact NZ-OD2 3.14Å; K538-D547 IonicContact NZ-OD2 3.56Å; K538-D547 PolarHBondContact NZ-OD2 3.17Å; E543-D547 VanDerWaalsContact O-CB 3.25Å; E543-D547 WeakPolarHBondContact O-CB 3.24Å; E543-D547 PolarHBondContact O-N 3.41Å; E543-D547 VanDerWaalsContact O-OD1 3.07Å; E544-D547 PolarHBondContact O-N 2.89Å; D547-E550 PolarHBondContact O-N 3.38Å; D547-A551 PolarHBondContact O-N 3.14Å
548	I	73.9	Confident	72.4	Confident	7 Å²	7	60.5 Å²	60.5	4%	0.036	30%	0.302	C	S	.	.	H	α-helix	trans	-66	-42.2	176.5	-67.4	159.3	0	0	0	110.5	G484 K487 L504 E544 E545 D546 A551 I552	G484-I548 VanDerWaalsContact CA-CD1 3.49Å; K487-I548 HydrophobicContact CB-CG2 4.09Å; K487-I548 HydrophobicContact CD-CD1 4.23Å; K487-I548 HydrophobicContact CD-CG2 4.24Å; L504-I548 HydrophobicContact CD1-CG1 4.32Å; E544-I548 HydrophobicContact CG-CD1 4.08Å; E544-I548 VanDerWaalsContact O-CD1 3.27Å; E544-I548 WeakPolarHBondContact O-CD1 3.4Å; E544-I548 WeakPolarHBondContact O-CG1 3.36Å; E544-I548 PolarHBondContact O-N 2.93Å; E544-I548 VanDerWaalsContact O-N 3.07Å; E545-I548 PolarHBondContact O-N 2.97Å; D546-I548 VanDerWaalsContact C-N 3.35Å; D546-I548 PolarHBondContact O-N 3.41Å; I548-A551 PolarHBondContact O-N 2.87Å; I548-I552 HydrophobicContact CG2-CD1 3.81Å; I548-I552 WeakPolarHBondContact O-CG1 3.26Å; I548-I552 PolarHBondContact O-N 2.54Å
549	K	76.2	Confident	72.5	Confident	97 Å²	97	63.7 Å²	63.7	42%	0.422	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-41.4	174.7	-68.5	162.5	-149	158.7	0	111.7	E545 D546 N553	E545-K549 WeakPolarHBondContact O-CD 3.25Å; E545-K549 WeakPolarHBondContact O-CE 3.31Å; E545-K549 VanDerWaalsContact O-CG 3.24Å; E545-K549 WeakPolarHBondContact O-CG 3.46Å; E545-K549 PolarHBondContact O-N 2.68Å; D546-K549 PolarHBondContact O-N 2.93Å; D546-K549 IonicContact OD1-NZ 3.3Å; D546-K549 PolarHBondContact OD1-NZ 3.38Å; K549-N553 VanDerWaalsContact O-CB 3.26Å; K549-N553 WeakPolarHBondContact O-CB 3.32Å; K549-N553 PolarHBondContact O-N 3.08Å; K549-N553 PolarHBondContact O-ND2 3.08Å; K549-N553 VanDerWaalsContact O-ND2 3.08Å
550	E	79.5	Confident	72.3	Confident	110 Å²	110	67.1 Å²	67.1	51%	0.514	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-43.6	178.4	-166.7	176.6	-167.2	0	0	111.4	Y507 D546 D547 N553 R554	Y507-E550 HydrophobicContact CE2-CB 4.11Å; Y507-E550 HydrophobicContact CE2-CG 3.86Å; Y507-E550 VanDerWaalsContact CE2-OE2 3.25Å; Y507-E550 WeakPolarHBondContact CE2-OE2 3.47Å; Y507-E550 VanDerWaalsContact CZ-OE2 3.24Å; Y507-E550 PolarHBondContact OH-OE2 3.07Å; D546-E550 PolarHBondContact O-N 2.98Å; D547-E550 PolarHBondContact O-N 3.38Å; E550-N553 PolarHBondContact O-N 2.8Å; E550-R554 WeakPolarHBondContact O-CB 3.44Å; E550-R554 PolarHBondContact O-N 2.93Å
551	A	76.7	Confident	72.1	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.008	34%	0.34	C	S	.	.	H	α-helix	trans	-62.4	-45.8	175.4	0	0	0	0	0	112.8	L504 Y507 D547 I548 N553 R554 A555	L504-A551 HydrophobicContact CB-CB 4.46Å; L504-A551 HydrophobicContact CD1-CB 4.03Å; Y507-A551 HydrophobicContact CD1-CB 4.48Å; Y507-A551 HydrophobicContact CG-CB 4.1Å; D547-A551 PolarHBondContact O-N 3.14Å; I548-A551 PolarHBondContact O-N 2.87Å; A551-N553 VanDerWaalsContact C-N 3.35Å; A551-N553 PolarHBondContact O-N 2.87Å; A551-R554 PolarHBondContact O-N 3.38Å; A551-R554 VanDerWaalsContact O-N 3.17Å; A551-A555 PolarHBondContact O-N 2.89Å
552	I	78.3	Confident	71.4	Confident	21 Å²	21	75.2 Å²	75.2	11%	0.108	36%	0.356	C	S	.	.	H	α-helix	trans	-64	-40.2	176.4	-69.5	169.9	0	0	0	111	E491 I548 R554 A555 R556	E491-I552 HydrophobicContact CB-CD1 4.37Å; E491-I552 HydrophobicContact CG-CD1 4.35Å; E491-I552 HydrophobicContact CG-CG2 3.99Å; I548-I552 HydrophobicContact CG2-CD1 3.81Å; I548-I552 WeakPolarHBondContact O-CG1 3.26Å; I548-I552 PolarHBondContact O-N 2.54Å; I552-R554 VanDerWaalsContact C-N 3.3Å; I552-R554 PolarHBondContact O-N 3.34Å; I552-A555 PolarHBondContact O-N 3.5Å; I552-R556 WeakPolarHBondContact O-CG 3.31Å; I552-R556 PolarHBondContact O-N 2.91Å
553	N	78.9	Confident	70.3	Confident	92 Å²	92	72.4 Å²	72.4	49%	0.492	35%	0.349	S	S	.	.	H	α-helix	trans	-65.7	-31.4	174.8	-75.3	-31.7	0	0	0	112.5	K549 E550 A551 A557	K549-N553 VanDerWaalsContact O-CB 3.26Å; K549-N553 WeakPolarHBondContact O-CB 3.32Å; K549-N553 PolarHBondContact O-N 3.08Å; K549-N553 PolarHBondContact O-ND2 3.08Å; K549-N553 VanDerWaalsContact O-ND2 3.08Å; E550-N553 PolarHBondContact O-N 2.8Å; A551-N553 VanDerWaalsContact C-N 3.35Å; A551-N553 PolarHBondContact O-N 2.87Å; N553-A557 VanDerWaalsContact O-CB 3.31Å; N553-A557 WeakPolarHBondContact O-CB 3.49Å; N553-A557 PolarHBondContact O-N 3.13Å
554	R	80.9	Confident	69.5	Low	76 Å²	76	71.8 Å²	71.8	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-71.5	-39.6	174	-175.5	169.5	154.5	-178.3	-21.1	112.1	E503 E510 E550 A551 I552 A557 H558	E503-R554 HydrophobicContact CG-CB 3.91Å; E503-R554 HydrophobicContact CG-CG 3.88Å; E503-R554 WeakPolarHBondContact OE1-CD 3.38Å; E503-R554 IonicContact OE1-CZ 2.69Å; E503-R554 IonicContact OE1-NE 3.85Å; E503-R554 PolarHBondContact OE1-NE 2.74Å; E503-R554 IonicContact OE1-NH1 3.6Å; E503-R554 IonicContact OE1-NH2 3.35Å; E503-R554 PolarHBondContact OE1-NH2 3.01Å; E503-R554 VanDerWaalsContact OE1-NH2 3.08Å; E503-R554 IonicContact OE2-CZ 3.35Å; E503-R554 IonicContact OE2-NE 3.61Å; E503-R554 PolarHBondContact OE2-NE 3.2Å; E503-R554 VanDerWaalsContact OE2-NE 3.16Å; E503-R554 IonicContact OE2-NH2 2.89Å; E510-R554 IonicContact OE1-CZ 3.46Å; E510-R554 VanDerWaalsContact OE1-CZ 3.28Å; E510-R554 IonicContact OE1-NH1 3.32Å; E510-R554 PolarHBondContact OE1-NH1 2.87Å; E510-R554 IonicContact OE1-NH2 3.55Å; E510-R554 PolarHBondContact OE1-NH2 3.05Å; E510-R554 IonicContact OE2-NH1 3.08Å; E510-R554 PolarHBondContact OE2-NH1 2.74Å; E550-R554 WeakPolarHBondContact O-CB 3.44Å; E550-R554 PolarHBondContact O-N 2.93Å; A551-R554 PolarHBondContact O-N 3.38Å; A551-R554 VanDerWaalsContact O-N 3.17Å; I552-R554 VanDerWaalsContact C-N 3.3Å; I552-R554 PolarHBondContact O-N 3.34Å; R554-A557 PolarHBondContact O-N 2.83Å; R554-H558 PolarHBondContact O-CD2 2.89Å; R554-H558 PolarHBondContact O-N 3.35Å
555	A	75.6	Confident	68.2	Low	2 Å²	2	79.2 Å²	79.2	2%	0.017	39%	0.389	C	S	.	.	H	α-helix	trans	-59.5	-48.6	170.6	0	0	0	0	0	111.5	D499 E503 A551 I552 A557 H558 R559	D499-A555 HydrophobicContact CB-CB 4.31Å; E503-A555 HydrophobicContact CB-CB 4.07Å; E503-A555 HydrophobicContact CG-CB 4.42Å; A551-A555 PolarHBondContact O-N 2.89Å; I552-A555 PolarHBondContact O-N 3.5Å; A555-A557 VanDerWaalsContact C-N 3.32Å; A555-A557 PolarHBondContact O-N 3.48Å; A555-H558 PolarHBondContact O-N 2.68Å; A555-H558 VanDerWaalsContact O-N 3.16Å; A555-R559 PolarHBondContact O-N 2.58Å
556	R	76.6	Confident	66.8	Low	93 Å²	93	80.7 Å²	80.7	35%	0.351	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-36.7	174.3	-68.7	171.9	177.3	-157	2.4	112.8	E491 I552 R559 M560	E491-R556 IonicContact OE1-CZ 3.14Å; E491-R556 IonicContact OE1-NE 2.58Å; E491-R556 IonicContact OE1-NH2 3.28Å; E491-R556 PolarHBondContact OE1-NH2 2.69Å; I552-R556 WeakPolarHBondContact O-CG 3.31Å; I552-R556 PolarHBondContact O-N 2.91Å; R556-R559 WeakPolarHBondContact O-CB 3.26Å; R556-R559 PolarHBondContact O-N 3.21Å; R556-M560 WeakPolarHBondContact O-CG 3.27Å; R556-M560 PolarHBondContact O-N 3.46Å
557	A	74.8	Confident	65.3	Low	48 Å²	48	84.5 Å²	84.5	40%	0.397	42%	0.419	S	S	.	.	H	α-helix	trans	-65.9	-40.6	174.7	0	0	0	0	0	111.9	N553 R554 A555 R559 M560 E561	N553-A557 VanDerWaalsContact O-CB 3.31Å; N553-A557 WeakPolarHBondContact O-CB 3.49Å; N553-A557 PolarHBondContact O-N 3.13Å; R554-A557 PolarHBondContact O-N 2.83Å; A555-A557 VanDerWaalsContact C-N 3.32Å; A555-A557 PolarHBondContact O-N 3.48Å; A557-R559 VanDerWaalsContact C-N 3.3Å; A557-R559 PolarHBondContact O-N 3.42Å; A557-M560 PolarHBondContact O-N 2.92Å; A557-E561 WeakPolarHBondContact O-CB 3.4Å; A557-E561 PolarHBondContact O-N 2.95Å
558	H	69.9	Low	63.6	Low	61 Å²	61	89.1 Å²	89.1	28%	0.282	45%	0.452	S	S	.	.	H	α-helix	trans	-66.1	-30.1	172.9	-72.5	-45.3	0	0	0	112.7	E503 R554 A555 E561 R562	E503-H558 IonicContact OE2-CD2 3.51Å; E503-H558 PolarHBondContact OE2-CD2 2.66Å; E503-H558 IonicContact OE2-NE2 2.74Å; R554-H558 PolarHBondContact O-CD2 2.89Å; R554-H558 PolarHBondContact O-N 3.35Å; A555-H558 PolarHBondContact O-N 2.68Å; A555-H558 VanDerWaalsContact O-N 3.16Å; H558-E561 IonicContact ND1-OE2 3.41Å; H558-R562 WeakPolarHBondContact O-CB 3.49Å; H558-R562 WeakPolarHBondContact O-CD 3.38Å; H558-R562 WeakPolarHBondContact O-CG 3.21Å; H558-R562 PolarHBondContact O-N 3.38Å; H558-R562 VanDerWaalsContact O-N 3.12Å
559	R	66.7	Low	61.7	Low	83 Å²	83	96.3 Å²	96.3	31%	0.313	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-45.7	167.7	-178.3	178.9	169.9	-156.2	-7.3	112.1	E497 A555 R556 A557 E561 R562 G563 D564 D566	E497-R559 WeakPolarHBondContact OE1-CD 3.24Å; E497-R559 IonicContact OE1-CZ 2.8Å; E497-R559 IonicContact OE1-NE 3.08Å; E497-R559 IonicContact OE1-NH1 2.83Å; E497-R559 PolarHBondContact OE1-NH1 3.12Å; A555-R559 PolarHBondContact O-N 2.58Å; R556-R559 WeakPolarHBondContact O-CB 3.26Å; R556-R559 PolarHBondContact O-N 3.21Å; A557-R559 VanDerWaalsContact C-N 3.3Å; A557-R559 PolarHBondContact O-N 3.42Å; R559-E561 PolarHBondContact O-N 3.04Å; R559-R562 PolarHBondContact O-N 3.49Å; R559-G563 PolarHBondContact O-N 2.98Å; R559-D564 HydrophobicContact CG-CB 4.26Å; R559-D566 IonicContact NH2-OD2 2.64Å
560	M	60	Low	59.6	Low	149 Å²	149	94.4 Å²	94.4	73%	0.734	50%	0.498	S	S	*	.	H	α-helix	trans	-62.8	-40.7	175.9	-69.2	174.3	69	0	0	112.6	R556 A557 R562 G563	R556-M560 WeakPolarHBondContact O-CG 3.27Å; R556-M560 PolarHBondContact O-N 3.46Å; A557-M560 PolarHBondContact O-N 2.92Å; M560-R562 VanDerWaalsContact C-N 3.31Å; M560-R562 PolarHBondContact O-N 3.44Å; M560-G563 PolarHBondContact O-N 3.29Å
561	E	57.9	Low	57.5	Low	160 Å²	160	95.8 Å²	95.8	75%	0.748	52%	0.516	S	S	*	.	H	α-helix	trans	-69.8	-26.6	178.8	-166.2	171.4	-135.1	0	0	112.6	A557 H558 R559 G563	A557-E561 WeakPolarHBondContact O-CB 3.4Å; A557-E561 PolarHBondContact O-N 2.95Å; H558-E561 IonicContact ND1-OE2 3.41Å; R559-E561 PolarHBondContact O-N 3.04Å; E561-G563 VanDerWaalsContact C-N 3.25Å; E561-G563 PolarHBondContact O-N 2.68Å
562	R	55.7	Low	55.4	Low	170 Å²	170	100.3 Å²	100.3	64%	0.642	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-9.8	169.2	-72	169.3	-170	168.9	11.4	113.9	D499 H558 R559 M560	D499-R562 VanDerWaalsContact CG-NH1 3.34Å; D499-R562 IonicContact OD1-NH1 2.75Å; D499-R562 PolarHBondContact OD1-NH1 3.11Å; D499-R562 IonicContact OD2-CZ 3.67Å; D499-R562 IonicContact OD2-NH1 3.75Å; D499-R562 PolarHBondContact OD2-NH1 3.34Å; D499-R562 IonicContact OD2-NH2 3.95Å; D499-R562 PolarHBondContact OD2-NH2 2.61Å; H558-R562 WeakPolarHBondContact O-CB 3.49Å; H558-R562 WeakPolarHBondContact O-CD 3.38Å; H558-R562 WeakPolarHBondContact O-CG 3.21Å; H558-R562 PolarHBondContact O-N 3.38Å; H558-R562 VanDerWaalsContact O-N 3.12Å; R559-R562 PolarHBondContact O-N 3.49Å; M560-R562 VanDerWaalsContact C-N 3.31Å; M560-R562 PolarHBondContact O-N 3.44Å
563	G	45.2	Very low	53	Low	50 Å²	50	106 Å²	106	52%	0.515	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	88.3	17.8	170.1	0	0	0	0	0	116.3	R559 M560 E561 L565	R559-G563 PolarHBondContact O-N 2.98Å; M560-G563 PolarHBondContact O-N 3.29Å; E561-G563 VanDerWaalsContact C-N 3.25Å; E561-G563 PolarHBondContact O-N 2.68Å; G563-L565 PolarHBondContact O-N 3.4Å; G563-L565 VanDerWaalsContact O-N 3.13Å
564	D	48.9	Very low	50.8	Low	109 Å²	109	105.9 Å²	105.9	58%	0.583	60%	0.596	S	S	*	*			trans	-75.5	96.3	168.7	-89.9	-16	0	0	0	110.2	R559 D566	R559-D564 HydrophobicContact CG-CB 4.26Å; D564-D566 PolarHBondContact O-N 3.45Å
565	L	40.3	Very low	48.5	Very low	161 Å²	161	107.8 Å²	107.8	84%	0.843	62%	0.616	S	S	*	*			trans	-83.5	96.1	170.9	-73.4	173	0	0	0	110.3	G563	G563-L565 PolarHBondContact O-N 3.4Å; G563-L565 VanDerWaalsContact O-N 3.13Å
566	D	38.5	Very low	46.3	Very low	109 Å²	109	115.9 Å²	115.9	58%	0.583	66%	0.656	S	S	*	*			trans	-84.8	129.8	159.7	-157.2	-23.3	0	0	0	109.4	R559 D564 S568	R559-D566 IonicContact NH2-OD2 2.64Å; D564-D566 PolarHBondContact O-N 3.45Å; D566-S568 PolarHBondContact OD1-N 3.15Å
567	L	41.5	Very low	44	Very low	167 Å²	167	119.2 Å²	119.2	87%	0.874	68%	0.681	S	S	*	*			trans	-109.7	46.6	-178.8	-79	172.2	0	0	0	110.5
568	S	39.1	Very low	41.9	Very low	106 Å²	106	120.2 Å²	120.2	74%	0.741	69%	0.685	S	S	*	*			trans	-142.3	46.2	-176.2	-141	0	0	0	0	114.4	D566	D566-S568 PolarHBondContact OD1-N 3.15Å
569	D	34.5	Very low	40.1	Very low	158 Å²	158	124.8 Å²	124.8	85%	0.845	71%	0.712	S	S	*	*			trans	-125.7	111.1	159.9	-165.8	12.3	0	0	0	110.3
570	G	31.1	Very low	38.3	Very low	56 Å²	56	129.7 Å²	129.7	58%	0.577	74%	0.738	S	S	*	*			trans	-117.5	127.8	179.5	0	0	0	0	0	109.1	A572	G570-A572 PolarHBondContact O-N 2.7Å
571	P	37.3	Very low	36.8	Very low	139 Å²	139	129.8 Å²	129.8	90%	0.903	74%	0.742	S	S	*	*			trans	-72	101.6	-165.1	28	-35.6	0	0	0	112.3
572	A	32.2	Very low	35.4	Very low	97 Å²	97	127.2 Å²	127.2	80%	0.802	74%	0.741	S	S	*	*			trans	-152.1	83.4	174.7	0	0	0	0	0	112.8	G570	G570-A572 PolarHBondContact O-N 2.7Å
573	D	28.2	Very low	34	Very low	141 Å²	141	122.3 Å²	122.3	75%	0.754	74%	0.743	S	S	*	*				-147.3	143.8	107.4	-154.5	-11	0	0	0	110.4	T575	D573-T575 PolarHBondContact OD1-N 3.13Å; D573-T575 WeakPolarHBondContact OD2-CG2 3.39Å
574	A	32.3	Very low	33.1	Very low	88 Å²	88	125.8 Å²	125.8	73%	0.727	76%	0.76	S	S	*	*			trans	-143.8	69.5	176	0	0	0	0	0	107.3	M576	A574-M576 PolarHBondContact O-N 3.49Å
575	T	31.3	Very low	32.1	Very low	116 Å²	116	128.3 Å²	128.3	71%	0.712	77%	0.773	S	S	*	*			trans	-56.6	104.6	-177.9	52.9	0	0	0	0	110.7	D573 D577	D573-T575 PolarHBondContact OD1-N 3.13Å; D573-T575 WeakPolarHBondContact OD2-CG2 3.39Å; T575-D577 PolarHBondContact O-N 2.96Å
576	M	30.7	Very low	31.7	Very low	173 Å²	173	126.5 Å²	126.5	85%	0.852	77%	0.77	S	S	*	*			trans	-68.3	118.9	165.8	-64.1	179.5	71.6	0	0	108.2	A574	A574-M576 PolarHBondContact O-N 3.49Å
577	D	28.8	Very low	31.3	Very low	162 Å²	162	125.6 Å²	125.6	87%	0.866	78%	0.778	S	S	*	*			trans	-104.5	148.6	157.7	-159.8	4.2	0	0	0	108.6	T575	T575-D577 PolarHBondContact O-N 2.96Å
578	S	29.6	Very low	30.8	Very low	70 Å²	70	123.9 Å²	123.9	49%	0.49	78%	0.777	S	S	.	*			trans	-139.7	137.2	-163.4	-57.1	0	0	0	0	112.8
579	D	32	Very low	30.3	Very low	157 Å²	157	123.9 Å²	123.9	84%	0.84	78%	0.777	S	S	*	*			trans	69.9	139.9	159.3	-55.9	-29.6	0	0	0	116.1
580	E	30.2	Very low	30.2	Very low	185 Å²	185	128.6 Å²	128.6	86%	0.864	78%	0.783	S	S	*	*			cis	-140.5	159.1	8.8	-72.9	-166.3	127.8	0	0	114.9
581	D	26.7	Very low	30.1	Very low	152 Å²	152	129.1 Å²	129.1	81%	0.813	79%	0.788	S	S	*	*			trans	74.2	143.8	143.7	-155	35.9	0	0	0	125
582	S	28.8	Very low	29.9	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	79%	0.792	S	S	*	*			trans	85.4	116.3	152.8	78.5	0	0	0	0	120.6
583	G	26.5	Very low	29.9	Very low	66 Å²	66	133.8 Å²	133.8	68%	0.68	79%	0.791	S	S	*	*			trans	121.1	71.4	132.9	0	0	0	0	0	121.3
584	S	25.9	Very low	30.3	Very low	124 Å²	124	139.3 Å²	139.3	87%	0.867	80%	0.801	S	S	*	*			trans	67	132.2	143.8	65.3	0	0	0	0	122.7
585	L	27.9	Very low	30.2	Very low	162 Å²	162	138.8 Å²	138.8	85%	0.848	81%	0.805	S	S	*	*			trans	-73.6	167.6	155.7	-69.1	170.8	0	0	0	110.6
586	P	33.1	Very low	30.3	Very low	122 Å²	122	137.5 Å²	137.5	79%	0.792	81%	0.814	S	S	*	*			cis	-142	170.3	22.1	42.6	-24.3	0	0	0	118.1
587	A	30.2	Very low	30.4	Very low	91 Å²	91	132.5 Å²	132.5	75%	0.752	81%	0.807	S	S	*	*			trans	-85.1	138.3	166.8	0	0	0	0	0	112.7
588	P	31.3	Very low	30.7	Very low	131 Å²	131	137.2 Å²	137.2	85%	0.851	81%	0.813	S	S	*	*			trans	-78.7	155.8	171.3	32.9	-34.4	0	0	0	112.2
589	S	28.8	Very low	30.7	Very low	106 Å²	106	137.4 Å²	137.4	74%	0.741	83%	0.826	S	S	*	*			trans	-129.2	148.2	-175.2	62.7	0	0	0	0	113.8
590	R	31.1	Very low	30.9	Very low	256 Å²	256	142.1 Å²	142.1	97%	0.966	83%	0.832	S	S	*	*			trans	162.9	143.2	150.9	-90.2	150.5	-177.1	-169.8	0.7	110.1
591	G	30.1	Very low	31	Very low	67 Å²	67	136.7 Å²	136.7	69%	0.691	83%	0.826	S	S	*	*			cis	157.6	159	-10.6	0	0	0	0	0	114.5
592	R	32.7	Very low	31.2	Very low	258 Å²	258	134.9 Å²	134.9	97%	0.974	83%	0.825	S	S	*	*			trans	76.2	136.8	-177.3	-57.1	175.4	165.3	174.9	-5.1	114.8
593	G	31.5	Very low	31.4	Very low	77 Å²	77	141.7 Å²	141.7	79%	0.794	83%	0.834	S	S	*	*			cis	104.2	129.2	2.9	0	0	0	0	0	112.5
594	R	36.9	Very low	31.6	Very low	256 Å²	256	142.5 Å²	142.5	97%	0.966	84%	0.842	S	S	*	*			cis	-140.1	178.4	34.9	-51.9	167.3	-179.6	145.8	-4.4	111.1
595	G	30.7	Very low	31.9	Very low	78 Å²	78	140.4 Å²	140.4	80%	0.804	84%	0.84	S	S	*	*			cis	141.6	138.7	-12.7	0	0	0	0	0	116
596	G	33	Very low	32	Very low	88 Å²	88	136.2 Å²	136.2	91%	0.907	84%	0.837	S	S	*	*			trans	99.6	145	166.4	0	0	0	0	0	116.6
597	G	32.4	Very low	32	Very low	68 Å²	68	142.9 Å²	142.9	70%	0.701	85%	0.846	S	S	*	*			cis	168.7	174.7	-7	0	0	0	0	0	114.4
598	R	34.7	Very low	32.1	Very low	262 Å²	262	142 Å²	142	99%	0.989	85%	0.845	S	S	*	*			trans	81	138.2	-177.3	-51.9	172.2	175.7	179.3	-1.5	115.9
599	G	30.9	Very low	32.2	Very low	74 Å²	74	148.2 Å²	148.2	76%	0.763	85%	0.852	S	S	*	*			cis	144.3	100.6	-21.2	0	0	0	0	0	117.6
600	R	35.5	Very low	32.2	Very low	256 Å²	256	146.4 Å²	146.4	97%	0.966	85%	0.85	S	S	*	*			trans	171.7	144.9	158.5	-101.5	169.3	177.2	-178.9	-2	107.4
601	G	31.3	Very low	32.3	Very low	71 Å²	71	139.8 Å²	139.8	73%	0.732	84%	0.843	S	S	*	*			cis	94.8	131.7	3.6	0	0	0	0	0	113.2
602	S	31.2	Very low	32.3	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	85%	0.848	S	S	*	*			cis	-170.4	170.8	-4.3	-176.8	0	0	0	0	110
603	R	33.8	Very low	32.3	Very low	249 Å²	249	133.8 Å²	133.8	94%	0.94	84%	0.842	S	S	*	*			trans	74	147	179.9	-50.4	166.8	175.6	165.6	-3.1	114.1
604	G	30	Very low	32.4	Very low	82 Å²	82	136.1 Å²	136.1	85%	0.845	85%	0.846	S	S	*	*			cis	133	144.7	1.4	0	0	0	0	0	110.9
605	G	32.3	Very low	32.1	Very low	80 Å²	80	131.5 Å²	131.5	83%	0.825	84%	0.835	S	S	*	*			cis	172	-177.8	-2.3	0	0	0	0	0	111.9
606	G	31.1	Very low	32.2	Very low	75 Å²	75	131 Å²	131	77%	0.773	82%	0.823	S	S	*	*			trans	80	163.3	176	0	0	0	0	0	115.6
607	R	32.1	Very low	32.4	Very low	261 Å²	261	135 Å²	135	99%	0.985	82%	0.816	S	S	*	*			cis	163.8	129.5	-22.9	-114.3	-175.1	176.6	-170.1	-0.3	105.4
608	G	32.4	Very low	33.4	Very low	72 Å²	72	137.4 Å²	137.4	74%	0.742	82%	0.82	S	S	*	*			trans	126.7	102.7	172.9	0	0	0	0	0	112.2
609	R	34	Very low	33.3	Very low	263 Å²	263	129.9 Å²	129.9	99%	0.992	81%	0.813	S	S	*	*				58.8	123.3	70.9	-79.6	-170.8	165.2	-175.3	-4.3	114.8
610	G	29.2	Very low	33.2	Very low	68 Å²	68	129.9 Å²	129.9	70%	0.701	81%	0.813	S	S	*	*			trans	135.1	84.4	134.3	0	0	0	0	0	119
611	S	32.1	Very low	33	Very low	117 Å²	117	130.1 Å²	130.1	82%	0.818	81%	0.814	S	S	*	*				38.5	133.6	129.8	59.4	0	0	0	0	123.3
612	A	30.5	Very low	32.9	Very low	96 Å²	96	130.1 Å²	130.1	79%	0.793	81%	0.814	S	S	*	*			trans	62.3	124.9	149.1	0	0	0	0	0	118.5
613	A	31.8	Very low	33	Very low	102 Å²	102	137.2 Å²	137.2	84%	0.843	82%	0.823	S	S	*	*			cis	87.6	104.5	37.3	0	0	0	0	0	115.2
614	S	33.6	Very low	32.8	Very low	127 Å²	127	129.1 Å²	129.1	89%	0.888	82%	0.818	S	S	*	*			trans	-160.8	147.1	153	53	0	0	0	0	113.3
615	E	31.3	Very low	33.1	Very low	158 Å²	158	136.3 Å²	136.3	74%	0.738	82%	0.82	S	S	*	*			trans	-75	172.5	171.1	-100.1	-160.7	101.9	0	0	112.3	K617	E615-K617 IonicContact OE1-NZ 2.75Å; E615-K617 PolarHBondContact OE1-NZ 2.95Å
616	A	32.6	Very low	33.2	Very low	67 Å²	67	137.3 Å²	137.3	55%	0.554	81%	0.814	S	S	*	*			cis	-175.2	166.6	-7.2	0	0	0	0	0	114
617	K	37.2	Very low	33.6	Very low	172 Å²	172	140.3 Å²	140.3	75%	0.748	81%	0.808	S	S	*	*			trans	63.3	171.5	139.9	-78.2	160.1	-167.9	143.6	0	119.2	E615	E615-K617 IonicContact OE1-NZ 2.75Å; E615-K617 PolarHBondContact OE1-NZ 2.95Å
618	P	54.7	Low	33.7	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	80%	0.798	S	S	*	*			cis	-137	-159.5	-37.2	38.5	-19.5	0	0	0	114.4
619	A	31.5	Very low	33.6	Very low	104 Å²	104	139 Å²	139	86%	0.86	80%	0.795	S	S	*	*			trans	81.1	147.8	173.5	0	0	0	0	0	117
620	G	28.5	Very low	33.5	Very low	73 Å²	73	130.8 Å²	130.8	75%	0.753	78%	0.784	S	S	*	*			cis	115	130.8	7.4	0	0	0	0	0	111
621	R	32.1	Very low	34.4	Very low	261 Å²	261	133.8 Å²	133.8	99%	0.985	79%	0.791	S	S	*	*			cis	-161.4	168.6	25.9	-84	168	151.5	171.8	-7.3	111.4
622	G	29.1	Very low	34.4	Very low	72 Å²	72	132.8 Å²	132.8	74%	0.742	79%	0.79	S	S	*	*			trans	90.7	139.9	160.6	0	0	0	0	0	115.8
623	R	32.9	Very low	34.3	Very low	262 Å²	262	132.8 Å²	132.8	99%	0.989	78%	0.784	S	S	*	*			cis	59.4	122.9	37.2	-73.3	-173.4	170.6	-176.6	-1.7	113.6
624	G	30.9	Very low	34.3	Very low	80 Å²	80	135.8 Å²	135.8	83%	0.825	78%	0.78	S	S	*	*			cis	-175.7	-162.8	0.8	0	0	0	0	0	110
625	R	36.4	Very low	34	Very low	233 Å²	233	135.2 Å²	135.2	88%	0.879	77%	0.772	S	S	*	*			cis	-173.9	124.5	-2.7	172.2	-166.3	177.4	-156.1	1.8	111.8
626	S	34.4	Very low	34	Very low	101 Å²	101	138.4 Å²	138.4	71%	0.706	78%	0.777	S	S	*	*			trans	68.5	167.4	163	77.9	0	0	0	0	118.1
627	Q	38.8	Very low	34	Very low	137 Å²	137	141.9 Å²	141.9	64%	0.64	79%	0.786	S	S	*	*			cis	-159.5	152.9	28	-137.5	-166.6	39.7	0	0	115.3
628	R	33	Very low	33.5	Very low	208 Å²	208	141 Å²	141	79%	0.785	79%	0.788	S	S	*	*			trans	64.3	155.2	152.7	-79	177.2	172.4	145.9	-16.2	120.4
629	S	30.9	Very low	32.3	Very low	97 Å²	97	145.2 Å²	145.2	68%	0.678	80%	0.795	S	S	*	*			cis	-167.2	127.5	-12.7	41.7	0	0	0	0	109.6
630	A	32.9	Very low	32.3	Very low	92 Å²	92	148.9 Å²	148.9	76%	0.76	79%	0.794	S	S	*	*				76.6	153.7	82.1	0	0	0	0	0	115.1
631	P	48.1	Very low	32.2	Very low	131 Å²	131	149.6 Å²	149.6	85%	0.851	79%	0.793	S	S	*	*			cis	-106.9	-140.5	5.1	26.4	-2.8	0	0	0	112.3
632	A	30.8	Very low	32.1	Very low	95 Å²	95	147.2 Å²	147.2	79%	0.785	79%	0.79	S	S	*	*			cis	-161	-164.8	8.7	0	0	0	0	0	115.3
633	S	30	Very low	32	Very low	97 Å²	97	153.2 Å²	153.2	68%	0.678	80%	0.799	S	S	*	*			trans	-48.4	159.3	175.6	-92.5	0	0	0	0	119.3
634	Q	30.1	Very low	31.7	Very low	164 Å²	164	145.2 Å²	145.2	77%	0.766	79%	0.789	S	S	*	*			cis	-162.3	146	-8.7	-129.1	160.9	-27.7	0	0	113.2
635	T	28.9	Very low	31.5	Very low	116 Å²	116	147.9 Å²	147.9	71%	0.712	79%	0.789	S	S	*	*			trans	36.9	115.9	151.7	46.3	0	0	0	0	124.1
636	R	30.8	Very low	31.1	Very low	225 Å²	225	142.6 Å²	142.6	85%	0.849	79%	0.788	S	S	*	*				24.5	146.6	115.2	-63.3	-174.4	-178.8	164.8	-0.5	119.2
637	N	31.4	Very low	30.8	Very low	139 Å²	139	146 Å²	146	74%	0.743	79%	0.793	S	S	*	*			cis	-166.4	159.7	4.5	-104.2	6.9	0	0	0	109
638	I	27.5	Very low	30.2	Very low	153 Å²	153	150.2 Å²	150.2	79%	0.785	80%	0.803	S	S	*	*			trans	170.5	135.9	156.1	-93.7	151.6	0	0	0	105.7	Q640	I638-Q640 HydrophobicContact CG2-CB 4.24Å
639	F	30.6	Very low	29.8	Very low	210 Å²	210	144.7 Å²	144.7	92%	0.921	80%	0.796	S	S	*	*			cis	77.3	27.4	35.5	-132.1	-79.7	0	0	0	116.8
640	Q	30.3	Very low	29.6	Very low	181 Å²	181	146.1 Å²	146.1	85%	0.846	80%	0.801	S	S	*	*			trans	-164.5	112.9	159.5	-110.7	171.9	15.4	0	0	109.4	I638	I638-Q640 HydrophobicContact CG2-CB 4.24Å
641	A	27.5	Very low	29.3	Very low	88 Å²	88	146.9 Å²	146.9	73%	0.727	80%	0.801	S	S	*	*			trans	-157.9	-2.3	-179	0	0	0	0	0	117.5
642	F	30.1	Very low	28.3	Very low	210 Å²	210	146.1 Å²	146.1	92%	0.921	80%	0.799	S	S	*	*			trans	-135.9	68.8	-176.1	-80	-70.5	0	0	0	114.6
643	Q	26.1	Very low	28.1	Very low	198 Å²	198	146.8 Å²	146.8	93%	0.925	80%	0.804	S	S	*	*			trans	-141.5	107.8	147.4	-85.4	-164.6	-9.8	0	0	109.4
644	A	26.8	Very low	28.1	Very low	95 Å²	95	146.4 Å²	146.4	79%	0.785	81%	0.807	S	S	*	*			trans	-162.8	84.2	164.8	0	0	0	0	0	111.5
645	T	26.9	Very low	27.9	Very low	136 Å²	136	147.4 Å²	147.4	83%	0.834	81%	0.812	S	S	*	*			trans	35.9	123.8	130.7	-43	0	0	0	0	121.1
646	S	27.8	Very low	27.8	Very low	122 Å²	122	150 Å²	150	85%	0.853	82%	0.816	S	S	*	*			trans	-149.1	164.7	135.6	-160.4	0	0	0	0	111.4
647	Q	28.1	Very low	27.6	Very low	173 Å²	173	144.4 Å²	144.4	81%	0.808	81%	0.806	S	S	*	*			trans	-95.8	172.3	-163.5	-61.9	173.3	-27.3	0	0	112
648	R	25.6	Very low	27.3	Very low	224 Å²	224	144.8 Å²	144.8	85%	0.845	81%	0.807	S	S	*	*				176.1	155.7	59.7	-173.5	-176.1	171.8	171.9	-2.5	112.7
649	S	25.1	Very low	27.3	Very low	93 Å²	93	145.3 Å²	145.3	65%	0.65	81%	0.809	S	S	*	*			trans	67.3	140.8	157.3	36.7	0	0	0	0	119.5
650	T	26.5	Very low	27.1	Very low	126 Å²	126	141.8 Å²	141.8	77%	0.773	80%	0.8	S	S	*	*			cis	-161.9	166.1	-3.3	7.3	0	0	0	0	112.8
651	S	26.1	Very low	26.9	Very low	109 Å²	109	140.1 Å²	140.1	76%	0.762	80%	0.797	S	S	*	*			trans	69.7	150.2	152.5	58.1	0	0	0	0	120.6
652	S	27.2	Very low	27.2	Very low	115 Å²	115	139.8 Å²	139.8	80%	0.804	79%	0.79	S	S	*	*			cis	179.7	127.2	-36.3	48.5	0	0	0	0	110.5
653	A	27.5	Very low	27.3	Very low	108 Å²	108	136 Å²	136	89%	0.893	78%	0.779	S	S	*	*			trans	-179.9	149.9	147.6	0	0	0	0	0	108.8
654	A	28.3	Very low	27.6	Very low	90 Å²	90	134.2 Å²	134.2	74%	0.744	77%	0.771	S	S	*	*			trans	-151.8	154.3	175.1	0	0	0	0	0	110
655	E	26.9	Very low	27.8	Very low	185 Å²	185	136.2 Å²	136.2	86%	0.864	77%	0.768	S	S	*	*			trans	-168.5	119	144.4	-101.5	163.8	-176.3	0	0	103.9
656	E	25.8	Very low	28	Very low	171 Å²	171	136.6 Å²	136.6	80%	0.799	76%	0.763	S	S	*	*				80.4	149	56.5	-73.7	-158.4	176.5	0	0	114.6
657	V	27.5	Very low	28.6	Very low	106 Å²	106	135.7 Å²	135.7	64%	0.642	75%	0.754	S	S	*	*			cis	-169.8	148.6	-37.8	90.2	0	0	0	0	108.5
658	I	24.3	Very low	28.6	Very low	147 Å²	147	133 Å²	133	75%	0.754	75%	0.75	S	S	*	*			trans	66.8	143.6	165.8	-68.6	170.5	0	0	0	112.6
659	I	27.3	Very low	28.8	Very low	165 Å²	165	129.9 Å²	129.9	85%	0.846	75%	0.747	S	S	*	*				-126.2	147.6	54.1	-70.6	168.5	0	0	0	113.3
660	D	27	Very low	28.9	Very low	136 Å²	136	135 Å²	135	73%	0.727	76%	0.757	S	S	*	*			trans	-115.5	153.1	176.6	179.5	27.2	0	0	0	108.6
661	D	27.2	Very low	28.9	Very low	145 Å²	145	133.4 Å²	133.4	78%	0.775	76%	0.757	S	S	*	*			trans	-171.3	112.9	157.4	-119.2	-0.7	0	0	0	110.3
662	S	32.9	Very low	29	Very low	82 Å²	82	134.4 Å²	134.4	57%	0.573	76%	0.759	S	S	*	*				46.5	142.8	126.4	-73.7	0	0	0	0	122.4
663	D	31.8	Very low	29.1	Very low	129 Å²	129	139.8 Å²	139.8	69%	0.69	76%	0.761	S	S	*	*			cis	-155.2	163.9	1.8	-102.6	-19.3	0	0	0	111.9
664	E	32.4	Very low	29.4	Very low	162 Å²	162	140.2 Å²	140.2	76%	0.757	76%	0.755	S	S	*	*			trans	26.3	144.6	144.2	-53.6	-170.8	144.8	0	0	120.8
665	D	31.5	Very low	30.1	Very low	137 Å²	137	140.8 Å²	140.8	73%	0.733	75%	0.751	S	S	*	*			cis	-151.1	166.6	27.4	-150.5	-8.6	0	0	0	114.6
666	I	30.8	Very low	31.2	Very low	143 Å²	143	136.8 Å²	136.8	73%	0.733	74%	0.741	S	S	*	*			trans	-111.1	-171.9	-166.8	23.5	171.4	0	0	0	110.8
667	P	40.6	Very low	31.3	Very low	103 Å²	103	139.3 Å²	139.3	67%	0.669	74%	0.743	S	S	*	*			cis	-139	-179.1	-38.5	33.8	-14.7	0	0	0	115.4
668	V	28.6	Very low	31.4	Very low	118 Å²	118	139.4 Å²	139.4	72%	0.715	75%	0.749	S	S	*	*				99.7	137	128.6	120.5	0	0	0	0	123.8
669	M	29.3	Very low	31.6	Very low	158 Å²	158	137.4 Å²	137.4	78%	0.778	75%	0.748	S	S	*	*			trans	71	103.7	156.3	-71.8	177.7	-154.4	0	0	124
670	K	27.9	Very low	31.7	Very low	200 Å²	200	134.4 Å²	134.4	87%	0.87	74%	0.741	S	S	*	*				42.3	134.8	115.5	-69	-176.2	175.8	178.2	0	121.6
671	A	27	Very low	31.8	Very low	92 Å²	92	133 Å²	133	76%	0.76	74%	0.743	S	S	*	*			trans	115.2	119	132.9	0	0	0	0	0	120
672	T	26.9	Very low	31.9	Very low	131 Å²	131	131.3 Å²	131.3	80%	0.804	74%	0.742	S	S	*	*				48.9	97.6	129.4	-41.1	0	0	0	0	121.7
673	R	30.4	Very low	31.8	Very low	227 Å²	227	132.3 Å²	132.3	86%	0.857	75%	0.749	S	S	*	*			trans	35.7	116.6	135.5	-170.8	-169.4	-175.2	-153.2	3.2	119.6
674	P	32.5	Very low	31.7	Very low	118 Å²	118	131.5 Å²	131.5	77%	0.766	75%	0.754	S	S	*	*				-141.9	165.7	123.3	34.2	-18.3	0	0	0	116.1
675	P	43.3	Very low	31.5	Very low	102 Å²	102	129.1 Å²	129.1	66%	0.662	76%	0.755	S	S	*	*			trans	-100.9	-152.4	166	44.4	-36.6	0	0	0	109.9
676	P	50.5	Low	31.4	Very low	101 Å²	101	132.3 Å²	132.3	66%	0.656	76%	0.762	S	S	*	*			cis	-130.2	-159.7	-25.9	31	-7.4	0	0	0	113.2
677	R	28.5	Very low	32.1	Very low	223 Å²	223	130.8 Å²	130.8	84%	0.842	76%	0.762	S	S	*	*			trans	81.3	119.4	157.6	-69.7	177.3	178.6	-169.6	-0.3	118.2
678	S	28.2	Very low	31.8	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	76%	0.763	S	S	*	*				87.2	144	87.1	85	0	0	0	0	113.9
679	S	28.4	Very low	31.8	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	77%	0.766	S	S	*	*			cis	-160	163.5	1.6	52.9	0	0	0	0	109.2
680	S	29.3	Very low	31.7	Very low	101 Å²	101	132.2 Å²	132.2	71%	0.706	76%	0.764	S	S	*	*				154.6	-177.7	91.7	58.2	0	0	0	0	110.8
681	S	29.7	Very low	31.8	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	76%	0.757	S	S	*	*			trans	66.8	126.7	-175.3	69.6	0	0	0	0	115.4
682	S	30.1	Very low	32	Very low	108 Å²	108	131.5 Å²	131.5	76%	0.755	76%	0.76	S	S	*	*			cis	85.9	132.8	30.9	80.1	0	0	0	0	114.3
683	S	30.4	Very low	32.2	Very low	103 Å²	103	130 Å²	130	72%	0.72	75%	0.754	S	S	*	*			cis	-172.2	-172.8	-7.8	51.8	0	0	0	0	109.5
684	S	29.2	Very low	32.3	Very low	113 Å²	113	127.6 Å²	127.6	79%	0.79	75%	0.753	S	S	*	*			trans	74.4	148.8	171.3	79.9	0	0	0	0	117.4
685	S	28.3	Very low	32.3	Very low	112 Å²	112	126.6 Å²	126.6	78%	0.783	75%	0.749	S	S	*	*			cis	-163	148.9	-23.3	44.5	0	0	0	0	113.2
686	F	30.3	Very low	31.9	Very low	203 Å²	203	130.7 Å²	130.7	89%	0.89	76%	0.759	S	S	*	*			trans	-55.4	171.2	159.9	-75.6	-76.3	0	0	0	113
687	P	45.5	Very low	31	Very low	112 Å²	112	131.8 Å²	131.8	73%	0.727	76%	0.764	S	S	*	*			cis	-145.6	-156.5	33.4	42.9	-18.6	0	0	0	114.4
688	K	33.1	Very low	31.2	Very low	157 Å²	157	126.7 Å²	126.7	68%	0.683	76%	0.762	S	S	*	*			cis	-163	162.3	4.7	-149.1	161.1	174	-178.4	0	112.3
689	F	28.9	Very low	31.3	Very low	180 Å²	180	133.1 Å²	133.1	79%	0.789	77%	0.77	S	S	*	*			trans	66	151.2	167.1	-55.9	-66.2	0	0	0	116.9
690	G	27.5	Very low	31.3	Very low	71 Å²	71	131.3 Å²	131.3	73%	0.732	77%	0.768	S	S	*	*			cis	118.5	142	3.2	0	0	0	0	0	111.8
691	S	30.4	Very low	31.3	Very low	103 Å²	103	133.4 Å²	133.4	72%	0.72	78%	0.776	S	S	*	*			cis	-169.1	175.7	-4	50.9	0	0	0	0	110.9
692	Q	30.8	Very low	31.5	Very low	175 Å²	175	132.4 Å²	132.4	82%	0.818	77%	0.774	S	S	*	*			trans	68.9	99.1	155.7	-74.8	173.7	-30.4	0	0	121.6
693	S	31.7	Very low	31.5	Very low	99 Å²	99	137.3 Å²	137.3	69%	0.692	78%	0.782	S	S	*	*				50	148.3	109.2	69.6	0	0	0	0	124.8
694	Q	31.4	Very low	31.5	Very low	177 Å²	177	138.8 Å²	138.8	83%	0.827	78%	0.782	S	S	*	*			trans	101.2	97.9	153.8	-64.8	-172.1	-10.2	0	0	120.3
695	S	33.6	Very low	31.7	Very low	97 Å²	97	141 Å²	141	68%	0.678	79%	0.785	S	S	*	*				14.7	134.4	129.9	59.3	0	0	0	0	121.6
696	Q	33.2	Very low	31.9	Very low	187 Å²	187	139.9 Å²	139.9	87%	0.874	78%	0.778	S	S	*	*				-171.8	177.5	98.6	-102.3	-169.6	12.5	0	0	114.4
697	T	33.6	Very low	32.1	Very low	124 Å²	124	138.3 Å²	138.3	76%	0.761	78%	0.778	S	S	*	*			trans	-74.1	160.2	-169.3	49.5	0	0	0	0	116.1
698	S	31.3	Very low	31.6	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	79%	0.785	S	S	*	*				-176.6	173.4	124.2	46.6	0	0	0	0	114.4
699	R	31.2	Very low	31.7	Very low	245 Å²	245	143.9 Å²	143.9	93%	0.925	80%	0.797	S	S	*	*			trans	-36.8	159.2	177.4	-60.9	157.2	173.7	144.7	-4.3	115.8
700	G	28.8	Very low	32	Very low	66 Å²	66	143 Å²	143	68%	0.68	80%	0.8	S	S	*	*			cis	108.9	158.7	13.4	0	0	0	0	0	112.6
701	V	29	Very low	32.3	Very low	145 Å²	145	146.9 Å²	146.9	88%	0.879	80%	0.804	S	S	*	*			trans	95.8	140.3	-170.7	-178.1	0	0	0	0	113.8
702	A	32.6	Very low	32.6	Very low	88 Å²	88	146.3 Å²	146.3	73%	0.727	80%	0.799	S	S	*	*			trans	-119.2	167.3	175.4	0	0	0	0	0	109.9
703	F	30.2	Very low	32.7	Very low	210 Å²	210	147.8 Å²	147.8	92%	0.921	80%	0.803	S	S	*	*			trans	-135.8	161.1	161.4	-108.9	-86.2	0	0	0	110.6
704	D	31.3	Very low	32.9	Very low	135 Å²	135	152.5 Å²	152.5	72%	0.722	81%	0.811	S	S	*	*			trans	-111.2	149.4	-170.2	-168	13.2	0	0	0	108.5
705	D	32.2	Very low	32.8	Very low	159 Å²	159	147.9 Å²	147.9	85%	0.85	81%	0.811	S	S	*	*			trans	-165.9	138.1	150.5	-108.8	-30	0	0	0	112.6
706	S	34	Very low	32.8	Very low	89 Å²	89	151.6 Å²	151.6	62%	0.622	82%	0.817	S	S	*	*			trans	-66.1	158.4	-174.5	-46.5	0	0	0	0	114.9
707	D	34.5	Very low	32.7	Very low	169 Å²	169	148.5 Å²	148.5	90%	0.904	82%	0.816	S	S	*	*				-164.3	158.4	105.7	-98.2	-18.5	0	0	0	111.7
708	E	34.6	Very low	32.9	Very low	187 Å²	187	154.1 Å²	154.1	87%	0.874	82%	0.823	S	S	*	*			trans	-104.7	146.5	-170.6	-57.1	179.1	127.4	0	0	112.4
709	E	35.6	Very low	33	Very low	200 Å²	200	152.3 Å²	152.3	94%	0.935	82%	0.822	S	S	*	*			trans	-138.5	143.9	141.8	-84.6	-152.6	144.5	0	0	110.6
710	D	34	Very low	33.3	Very low	160 Å²	160	146.2 Å²	146.2	86%	0.856	82%	0.818	S	S	*	*			trans	-79.5	153.5	-167.1	-122	-41.6	0	0	0	113.6
711	N	35.3	Very low	33.8	Very low	153 Å²	153	154.5 Å²	154.5	82%	0.818	83%	0.828	S	S	*	*			trans	-147.6	106.1	160.3	-150.8	-24.3	0	0	0	111.4
712	P	36.5	Very low	34	Very low	92 Å²	92	163 Å²	163	60%	0.597	84%	0.844	S	S	*	*			trans	-78.2	177.1	-169	30.4	-35.4	0	0	0	114.3
713	F	31.7	Very low	34.1	Very low	205 Å²	205	166.7 Å²	166.7	90%	0.899	85%	0.85	S	S	*	*			trans	74.8	59.7	176.5	-61.9	-82.9	0	0	0	118
714	K	35.6	Very low	34.3	Very low	199 Å²	199	164.4 Å²	164.4	87%	0.865	85%	0.846	S	S	*	*			trans	-93.2	97.3	148.9	-97.1	179.9	178.4	167.2	0	111.8
715	G	31	Very low	34.5	Very low	80 Å²	80	166.1 Å²	166.1	83%	0.825	85%	0.853	S	S	*	*			trans	-65.4	131.2	166.4	0	0	0	0	0	111.5
716	H	33.4	Very low	34.6	Very low	175 Å²	175	166.5 Å²	166.5	81%	0.81	85%	0.854	S	S	*	*			trans	-88.7	140.5	174.1	-81.6	26.8	0	0	0	111.5
717	S	31	Very low	34.6	Very low	122 Å²	122	171.3 Å²	171.3	85%	0.853	87%	0.868	S	S	*	*			trans	-122.1	129.3	158	62.1	0	0	0	0	110
718	R	37.9	Very low	34.6	Very low	242 Å²	242	171.5 Å²	171.5	91%	0.913	87%	0.866	S	S	*	*			trans	-140.1	138.3	-179.9	-121.9	-171.5	-177.8	-167.8	2.6	110
719	G	33.6	Very low	34.6	Very low	77 Å²	77	170.4 Å²	170.4	79%	0.794	87%	0.865	S	S	*	*			trans	67.8	107.4	145.2	0	0	0	0	0	118.4
720	S	36.3	Very low	34.6	Very low	118 Å²	118	168.1 Å²	168.1	83%	0.825	86%	0.86	S	S	*	*			trans	-58	137.9	155.6	167	0	0	0	0	111.4
721	R	39.6	Very low	34.6	Very low	239 Å²	239	168.8 Å²	168.8	90%	0.902	86%	0.86	S	S	*	*			trans	178.5	82.1	138.3	-101.7	175	178.8	-170.8	1.2	113.9
722	R	33.6	Very low	34.6	Very low	323 Å²	323	170.2 Å²	170.2	100%	1.219	86%	0.864	S	S	*	*				-171.8	0	119.4	-111.9	-179.5	171.6	172	-2.3	111.8

Retrieved 722 of 722 residues in 267.1 ms (Link to these results)

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